smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C1=CC=C2NCCN=C2C=C1 34241491 QUMCESBJYUCSPE-UHFFFAOYSA-N 146.193 1.041 10 10 ADCE COc1ccc(O)c([C@H](N)C2CC2)c1 95659612 BMZDQUIJGMIUBR-LLVKDONJSA-N 193.246 1.811 10 10 ADCE CO[C@H]1CC[C@H](N=[N+]=[N-])[C@H](C)O1 146231159 LIHQSZPEQONIFD-LYFYHCNISA-N 171.200 1.837 10 10 ADCE COc1cc([C@H]2CCN2)cc(O)c1O 211645151 YUYUSNILKXSVQN-SSDOTTSWSA-N 195.218 1.141 10 10 ADCE CNCCCCN=[N+]=[N-] 216556390 QYMXOFMTCITPRE-UHFFFAOYSA-N 128.179 1.296 10 10 ADCE COCC(=O)CCc1ccc(N)cc1 226818070 WLHGVTJCWCMLJL-UHFFFAOYSA-N 193.246 1.417 10 10 ADCE O=C1CC[C@H](c2cc(F)ccc2O)N1 238718717 GNLZFSKBYXMLHI-MRVPVSSYSA-N 195.193 1.482 10 10 ADCE C[C@@H]1CC[C@H](O)CN1CCN=[N+]=[N-] 306730664 FKGDYRZSLOUIIW-SFYZADRCSA-N 184.243 1.142 10 10 ADCE CN(C)c1ccc(/C=C\CN)cc1F 687681640 RTIBBXVYIANMJY-ARJAWSKDSA-N 194.253 1.864 10 10 ADCE [N-]=[N+]=NCCN1CC=C[C@H]1CF 1881543301 HNDMOAWGOXSTLZ-ZETCQYMHSA-N 170.191 1.507 10 10 ADCE CC(C)(O)CCN1CC[C@H](N=[N+]=[N-])C1 1912179634 WVFMMQHGPYEYBH-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE Cc1cc(CCN=[N+]=[N-])cc(O)n1 1951403447 SHSWPVRXIPNMOJ-UHFFFAOYSA-N 178.195 1.948 10 10 ADCE CN(CCN=[N+]=[N-])C1CC(CF)C1 1954248325 SCHQYPWZJRPGFA-UHFFFAOYSA-N 186.234 1.977 10 10 ADCE Oc1ccc2cccnc2c1O 31776954 JNBOBSUYSOOVGS-UHFFFAOYSA-N 161.160 1.646 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2[C@H]1O 36466549 GXARJZSMOVQDPH-RKDXNWHRSA-N 175.191 1.955 10 10 ADCE C[C@@H](N=[N+]=[N-])[C@H]1OC1(C)C 39132237 MEPIGQLOYUCEOC-RFZPGFLSSA-N 141.174 1.863 10 10 ADCE COC[C@@H](C)N(C)CCCN=[N+]=[N-] 42519332 UXMOJOJHRILQMI-MRVPVSSYSA-N 186.259 1.654 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])CC(C)(C)O1 45706641 LHZNEVOGKJTYHF-MRVPVSSYSA-N 198.270 1.796 10 10 ADCE CC[C@@](C)(CO)Nc1ccc(N)cc1 70895669 CPYWBJGNELFTLH-NSHDSACASA-N 194.278 1.842 10 10 ADCE Cc1cc(N(C)C)c(C)cc1CN 83963966 WSDUOOATPMNKNW-UHFFFAOYSA-N 178.279 1.828 10 10 ADCE CC[C@H](N)c1ccc(F)cc1O 95685825 XEZZXPWFUDUEJJ-QMMMGPOBSA-N 169.199 1.941 10 10 ADCE CC[C@](C)(N)c1c(O)cc(O)cc1O 95758067 LRKLHTPYIHUBHU-JTQLQIEISA-N 197.234 1.387 10 10 ADCE Nc1ccc(CN2C[C@@H]3C[C@H]3C2)cc1 107133599 AXRVBOHFVNNRCX-QWRGUYRKSA-N 188.274 1.721 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccco1 143848222 SMNYNLKDYGUMIG-YFKPBYRVSA-N 153.141 1.623 10 10 ADCE [N-]=[N+]=N[C@H]1CC(C(=O)O)C[C@@H]1N=[N+]=[N-] 146682552 RMMXSQMVVVFMAK-WHFBIAKZSA-N 196.170 1.839 10 10 ADCE NCc1ccc(C(F)F)cc1O 212537959 FKPIRMBFSBVQOI-UHFFFAOYSA-N 173.162 1.789 10 10 ADCE NC1(c2ccc3ncoc3c2O)CC1 214591229 MDIPGXWZAIYAJB-UHFFFAOYSA-N 190.202 1.481 10 10 ADCE NC(=O)/N=N/c1ccc(F)cc1 238575312 AULQIDYYPIBIAY-ZHACJKMWSA-N 167.143 1.988 10 10 ADCE O=C1C(=O)[C@@H]2CCC[C@H]1CC2 238605723 SPWHIEQAPVZRBK-KNVOCYPGSA-N 152.193 1.335 10 10 ADCE Nc1cccc([C@H]2CCCN2)c1O 238634074 IDSMTMMJIXHUJK-SECBINFHSA-N 178.235 1.399 10 10 ADCE C[C@@]1(c2ccccc2O)CCC(=O)N1 257859198 QPLSKCXZEWUBAP-NSHDSACASA-N 191.230 1.517 10 10 ADCE COc1cc(C)c(C)c(CN)c1O 258080406 VNAYRUHYSKLFCQ-UHFFFAOYSA-N 181.235 1.476 10 10 ADCE [N-]=[N+]=NC[C@@]12CO[C@H]3C[C@@H](CC[C@H]31)O2 306522087 OSNFKOMQHUEGSQ-LURQLKTLSA-N 195.222 1.633 10 10 ADCE CCC1(CC)C/C(=C/O)C(=O)O1 307931067 ASZYLFYSGPUYMP-SREVYHEPSA-N 170.208 1.934 10 10 ADCE CCCN1CC[C@H](N)[C@H]1CN=[N+]=[N-] 711998316 FMLGQVYJWDCTDN-JGVFFNPUSA-N 183.259 1.108 10 10 ADCE CCCN[C@@H]1CCN(C)[C@@H]1CN=[N+]=[N-] 712233322 BCHFSOQUSKHZNE-RKDXNWHRSA-N 197.286 1.369 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2COC[C@H]21 1882698817 QHPJRSJDCSMIMH-JGVFFNPUSA-N 182.227 1.017 10 10 ADCE CC(C)(O)[C@H]1CCN1CCCN=[N+]=[N-] 1888658810 IJPVJHIBCBIWMB-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H]2C[C@@H]2CF)C1 1888818606 PAVZDCWLODBFNP-HRDYMLBCSA-N 198.245 1.977 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@H]1CC1(F)F 1893547947 XTZHXSMAUNPQHO-DMTCNVIQSA-N 163.127 1.313 10 10 ADCE C[C@H]1C[C@@H]1[C@H](NN)c1ccccc1O 1897749411 DXRQJHQYQPJEPX-OVYXKVPISA-N 192.262 1.553 10 10 ADCE N[C@@H](c1cocn1)c1ccccc1O 1929822897 ZBIBUJKGSHRWOK-SNVBAGLBSA-N 190.202 1.428 10 10 ADCE CNCc1ccc(OCOC)c(C)c1 1934089652 NUQMQWMNXAJFRV-UHFFFAOYSA-N 195.262 1.697 10 10 ADCE O=C(c1cccc(O)c1O)C1CC1 1951384430 CATGFTRSPIGLLI-UHFFFAOYSA-N 178.187 1.691 10 10 ADCE Nc1cccc(F)c1N[C@@H]1C[C@@H]1CO 1955090822 LHGXQXCCWDHOHW-HZGVNTEJSA-N 196.225 1.201 10 10 ADCE CC(C)[S@](=O)Cc1ccc(N)cc1 41067518 QZMYGWMKWTZCMJ-ZDUSSCGKSA-N 197.303 1.926 10 10 ADCE Oc1cc2c(cc1O)CC=CC2 75545295 ICHVFNXPGPXCSB-UHFFFAOYSA-N 162.188 1.753 10 10 ADCE CCCn1ccn(CCN=[N+]=[N-])c1=O 87666770 JJRDBAFZFWLRDK-UHFFFAOYSA-N 195.226 1.370 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])C(C)C 136647504 WMTCNESCVXRQFL-RXMQYKEDSA-N 157.173 1.494 10 10 ADCE CCc1ccc(O)c([C@](C)(N)CO)c1 211629011 NHZUMPACLHMLAO-LLVKDONJSA-N 195.262 1.121 10 10 ADCE CN1C[C@@H]2CC(N=[N+]=[N-])C[C@H]2C1 238346777 WHORWLORTLIMOT-BQBZGAKWSA-N 166.228 1.637 10 10 ADCE CC(=O)N[C@H](C)c1ccccc1O 238373142 FNMJPYHSXMENCL-SSDOTTSWSA-N 179.219 1.589 10 10 ADCE Cc1cc(O)c(O)cc1SC(=N)N 238471912 ZEGZZUQJJQBAIJ-UHFFFAOYSA-N 198.247 1.392 10 10 ADCE C[C@H](N)[C@@H](C)c1ccc(O)c(O)c1 238803098 CUAQNPSFYZGWMR-RQJHMYQMSA-N 181.235 1.549 10 10 ADCE CN(C)c1ccc(/C=C\CNN)cc1 319660032 GKEAKAZFIWOMPS-ARJAWSKDSA-N 191.278 1.229 10 10 ADCE Nc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 707081392 HLDVIWPUIZVZIV-PWSUYJOCSA-N 188.274 1.863 10 10 ADCE C[C@@]1(CO)CCCN1CCCN=[N+]=[N-] 723022641 QPLZMPWRBVRRHR-VIFPVBQESA-N 198.270 1.534 10 10 ADCE Cc1cc([C@H](CO)N=[N+]=[N-])nn1C 1535690075 DBLPUZRQISQJQD-ZETCQYMHSA-N 181.199 1.072 10 10 ADCE CNC1(c2cccc(O)c2O)CC1 1536203902 ZDWGMPBPNLAYTE-UHFFFAOYSA-N 179.219 1.306 10 10 ADCE CCN1CCC[C@H]1CN=[N+]=[N-] 1880219094 FPOFGUGYFWVZMD-ZETCQYMHSA-N 154.217 1.781 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1[C@H]2OCC[C@H]12 1884443825 DJOVMLYOXNPCTD-HLTSFMKQSA-N 196.254 1.263 10 10 ADCE Nc1ccc(NC2=CC(=O)OC2)cc1 1901776821 UFAOJBKEEMSDJQ-UHFFFAOYSA-N 190.202 1.121 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CC[C@H]2O)C1 1912143486 GVFLFMMJLVPKIX-IWSPIJDZSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C[C@@H]2CCCO2)C1 1912157448 XWRITOKRGSYVDU-IUCAKERBSA-N 196.254 1.550 10 10 ADCE CCC[C@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1933620252 WPCCUARYTBOGRN-IUCAKERBSA-N 198.270 1.532 10 10 ADCE C[C@H](O)CN1CCC[C@H](N=[N+]=[N-])CC1 1934379055 XLUMMWLLZYMVSF-IUCAKERBSA-N 198.270 1.532 10 10 ADCE Cn1ccnc1C=C1CNCC1(C)C 1955241881 VQMBUFSYIKVWAB-UHFFFAOYSA-N 191.278 1.433 10 10 ADCE Cc1cc(CN(C)CCN=[N+]=[N-])n[nH]1 1956715954 ICXPTCODEOBLAJ-UHFFFAOYSA-N 194.242 1.460 10 10 ADCE CCOc1ccc(O)c(O)c1C(C)=O 2054911902 GZBIGBKUCWSFEC-UHFFFAOYSA-N 196.202 1.699 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H]2C[C@H]2C1=O 2209901657 BIGKMQBFQISKOV-HTQZYQBOSA-N 194.238 1.555 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2COC[C@H]1C2 2241890295 GQLKRTYQLGMZFM-JGVFFNPUSA-N 182.227 1.017 10 10 ADCE Nc1cc(O)c(O)c2cccnc12 13213587 VUYJUNNNRNSMEG-UHFFFAOYSA-N 176.175 1.228 10 10 ADCE COC(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1 34290902 MXRQELUHZUPJBB-RNFRBKRXSA-N 181.195 1.805 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C1 42416018 QONGLIPQTIBLBG-ZETCQYMHSA-N 154.217 1.639 10 10 ADCE CCc1cnc(-c2cn[nH]c2N)s1 70601589 NLKIMYBGMLGHRW-UHFFFAOYSA-N 194.263 1.678 10 10 ADCE CCCC[C@H](CC(N)=O)N=[N+]=[N-] 137375744 JMPGVXQFWKLVQO-ZCFIWIBFSA-N 170.216 1.731 10 10 ADCE CCC[C@@H](C)CC(=O)C(C)=O 165473880 QEAIKCJSMDKTMW-SSDOTTSWSA-N 156.225 1.971 10 10 ADCE Cc1ccc(O)c(CN)c1F 211957998 OKYMWMLUHVTHRS-UHFFFAOYSA-N 155.172 1.298 10 10 ADCE CNCc1cc(CF)ccc1O 212388261 PLGNJRIQAOCSCC-UHFFFAOYSA-N 169.199 1.581 10 10 ADCE C/C(=C\O)C(=O)OC(C)(C)C 222511448 RDMFADXDQPSFBU-AATRIKPKSA-N 158.197 1.790 10 10 ADCE CC(C)(C)[C@@H](N=[N+]=[N-])[C@H](O)CO 238144650 MZRWLBOMBLXCME-RITPCOANSA-N 173.216 1.065 10 10 ADCE CO[C@@H]1COCC[C@H]1N=[N+]=[N-] 238330934 VNGTVYIGXVMRIB-PHDIDXHHSA-N 157.173 1.101 10 10 ADCE Cc1cc(O)c(CNO)cc1F 257915378 BIWFMVVOMLREQF-UHFFFAOYSA-N 171.171 1.319 10 10 ADCE [N-]=[N+]=NCCN1CC(N2CCCC2)C1 700543953 PJGCASGJCXDRFF-UHFFFAOYSA-N 195.270 1.077 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1CCC[C@@H]1O 708216264 OGBKBEJMDCXMQA-IUCAKERBSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)C2CC2)C1 885684631 XXLJAFOPMHYEAR-ZETCQYMHSA-N 194.238 1.555 10 10 ADCE Cc1nc(CCCN=[N+]=[N-])n[nH]1 1893463759 KTKGQVWLRFQNNP-UHFFFAOYSA-N 166.188 1.356 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H](N)c1ccccc1 1912151668 KAFMYHHOPZPXSY-BDAKNGLRSA-N 192.222 1.358 10 10 ADCE C[C@@]1(C2CC2)CO[C@@H](CN=[N+]=[N-])N1 1912189940 XIMUAFHGIGNCGU-YUMQZZPRSA-N 182.227 1.411 10 10 ADCE CN[C@@H](c1ccccc1O)[C@H](C)OC 1928472707 SYEMTFBZTHIIND-GZMMTYOYSA-N 195.262 1.688 10 10 ADCE COCCCN(C)CCCN=[N+]=[N-] 62034055 NKMUNWOTTINYTM-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE [N-]=[N+]=CC(=O)Cc1cccs1 90366726 GJPSWWHXNIPCEJ-UHFFFAOYSA-N 166.205 1.160 10 10 ADCE C[C@H]1OCC[C@@H]1N(C)CCCN=[N+]=[N-] 134751549 CFVIHQMWHNIRCK-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE C[C@H]1C[C@@H](CN=[N+]=[N-])OC1=O 135757115 HWTOFXWZDDBLCN-WHFBIAKZSA-N 155.157 1.248 10 10 ADCE CNCc1ccc(OC)c(F)c1O 214402543 DPRPNIYISJTSPX-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE NC1(c2cc3c(cc2O)OCO3)CC1 214712630 JKGHTRGQGZLHON-UHFFFAOYSA-N 193.202 1.069 10 10 ADCE CC[C@H](N)c1cc(O)cc(OC)c1O 238313928 JVEWRKRYXDFCFC-QMMMGPOBSA-N 197.234 1.516 10 10 ADCE N[C@@H]1CC[C@@H](c2cc(O)nc(O)c2)C1 238577436 QNIZHKXXCQBTGL-HTRCEHHLSA-N 194.234 1.088 10 10 ADCE COc1cc(C(C)(C)N)c(O)cc1C 257960409 BVFWOUZLVPMHIU-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE CCN(C)Cc1cccc(O)c1O 306272390 XGYBDIVVIWXSAT-UHFFFAOYSA-N 181.235 1.550 10 10 ADCE CC[C@@]1(CO)CO[C@H](CN=[N+]=[N-])C1 689249163 UXOVEJCEXYFXSW-JGVFFNPUSA-N 185.227 1.474 10 10 ADCE CC/C=C(\C)C(=O)OCC(=O)C(C)=O 808493363 BENKEIAYEPIOLX-FNORWQNLSA-N 198.218 1.044 10 10 ADCE CCn1cc(CN=[N+]=[N-])nn1 953126589 GIHMVFMDSWXJNN-UHFFFAOYSA-N 152.161 1.108 10 10 ADCE CP(C)(=O)CCN=[N+]=[N-] 1879951022 AVSLULBBTZGEJS-UHFFFAOYSA-N 147.118 1.919 10 10 ADCE CCOC12CC(C1)N(CCN=[N+]=[N-])C2 1886608627 RTRKRFLKCYIMDG-UHFFFAOYSA-N 196.254 1.550 10 10 ADCE C[C@@H]1C[C@@H]1CCC(=O)NCCN=[N+]=[N-] 1889145031 SCECLAZCUYVFCV-SFYZADRCSA-N 196.254 1.849 10 10 ADCE C[C@H]1C[C@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 1912155706 QVOKDRMYAWEMNY-RCOVLWMOSA-N 194.238 1.554 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@@H]2CCC[C@@H]21 1912182582 DKTAIYCEUZSFHJ-SFYZADRCSA-N 194.238 1.698 10 10 ADCE CC(C)(CO)CN1CC[C@@H](N=[N+]=[N-])C1 1912183050 KKSFVICCORBLJP-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)[C@H](O)c1cccc(F)c1 1929121788 KGNRDKYNLUMABR-SNVBAGLBSA-N 196.177 1.017 10 10 ADCE CC1(C)CC[C@@H]1C(=O)NCCN=[N+]=[N-] 1965101343 BRZVQKWJHSVTJL-SSDOTTSWSA-N 196.254 1.849 10 10 ADCE CC(C)c1ccc(C(=O)O)c(O)c1O 896294 ZHDLAGPONFNQMZ-UHFFFAOYSA-N 196.202 1.919 10 10 ADCE in-vitro [N-]=[N+]=N[C@@H]1CCC[C@@H]1O 34139950 HUHPZGBAWPMUCZ-UHNVWZDZSA-N 127.147 1.210 10 10 ADCE in-vitro Cc1ccc([N+](=O)[O-])c(O)c1O 39133636 DPKDSDOOIONLAG-UHFFFAOYSA-N 169.136 1.314 10 10 ADCE COC(=O)C(CN=[N+]=[N-])CN=[N+]=[N-] 71606561 GMPCGAPCLXDQQZ-UHFFFAOYSA-N 184.159 1.396 10 10 ADCE CONCc1ccccc1O 75067546 BORSLMWCRUCPAU-UHFFFAOYSA-N 153.181 1.043 10 10 ADCE N[C@H]1CCN[C@H](c2ccccc2O)C1 107135990 RXBAERQLOWIUFH-WPRPVWTQSA-N 192.262 1.144 10 10 ADCE Nc1ccc(-n2ccc(=O)cc2)cc1 113066501 PMJYJHYOCMGBPS-UHFFFAOYSA-N 186.214 1.420 10 10 ADCE CCN(C)c1ccc(OC)cc1N 124992151 FSKDYMQSVNWOKE-UHFFFAOYSA-N 180.251 1.734 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCC[C@H]1O 130784281 MDHZOEFSYGCRDP-NKWVEPMBSA-N 155.201 1.848 10 10 ADCE O=C1CCCc2c(O)c(O)cc(F)c21 196049470 KFKIDBLUGGHWLZ-UHFFFAOYSA-N 196.177 1.756 10 10 ADCE [N-]=[N+]=NCC(=O)NCC1CCCCC1 229008321 COKRZQXBABBJSV-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE C/C(=C\c1ccc(O)c(O)c1)[C@@H](C)N 231753716 MLHHHKCVGJKEBL-WVXIBAHESA-N 193.246 1.848 10 10 ADCE CNC(=O)/N=N/c1nccs1 238335250 WLDHKWFNVHXBDO-CMDGGOBGSA-N 170.197 1.566 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H](c2ccco2)OC1=O 238594038 BTUAIPMRNZQADF-IYSWYEEDSA-N 193.162 1.947 10 10 ADCE CONCc1cc(OC)c(C)cc1O 258001195 GJRIKTXMRNPFBR-UHFFFAOYSA-N 197.234 1.360 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2C[C@H]1C[C@H]2CO 306166552 BDMOGKSTPCYRPM-KVPKETBZSA-N 167.212 1.704 10 10 ADCE C[C@@H]1C[C@@H](CO)CN(CCN=[N+]=[N-])C1 398866075 XRVZRFMDACGFHR-RKDXNWHRSA-N 198.270 1.247 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@]2(CCCOC2)CO1 536958566 QRSAGJPANPBSKK-RKDXNWHRSA-N 197.238 1.882 10 10 ADCE CCCn1cc([C@@H](O)CN=[N+]=[N-])nn1 715020709 JUHIBPSZKAURCX-ZETCQYMHSA-N 196.214 1.032 10 10 ADCE C[N+](C)(C)Cc1ccccc1O 1998844 DSSBXSXKPWVWNR-UHFFFAOYSA-O 166.244 1.598 10 10 ADCE C[C@@H](Cc1ccc(O)c(O)c1)[N+](=O)[O-] 2579030 BGGUEQUJLQACGS-LURJTMIESA-N 197.190 1.306 10 10 ADCE NCc1ccc2cnccc2c1O 27652601 CPEOIFZTUCEOBX-UHFFFAOYSA-N 174.203 1.399 10 10 ADCE C[C@@]1(c2ccc(O)cc2O)CCCN1 82892658 ZJYCSBYPTVIQBD-NSHDSACASA-N 193.246 1.696 10 10 ADCE Oc1ccc(C2CC2)cc1O 84238455 OUYRTXZVYPCJFT-UHFFFAOYSA-N 150.177 1.975 10 10 ADCE CN(CCF)c1ccc(CN)cc1 87774460 RHSYVUZURRSVSU-UHFFFAOYSA-N 182.242 1.551 10 10 ADCE Cc1ccc([C@H](N)CCCO)c(O)c1 95659647 KZDUGGMKDYZHDK-SNVBAGLBSA-N 195.262 1.473 10 10 ADCE Cc1c(F)ccc([C@H](N)[C@@H](C)O)c1O 95781323 CROBXLYRALSHEH-HZGVNTEJSA-N 199.225 1.220 10 10 ADCE CC[C@H](N)c1cc(N)ccc1O 104581239 SMEVZAJYTNFOCT-QMMMGPOBSA-N 166.224 1.384 10 10 ADCE O=C1Oc2ccccc2C/C1=C\O 137751058 IHYZOWPTGIINTP-SOFGYWHQSA-N 176.171 1.590 10 10 ADCE Cc1c(O)c(O)c(Cl)c(O)c1O 207088004 GMXULLKNOURDLT-UHFFFAOYSA-N 190.582 1.471 10 10 ADCE CNCc1ccc2ocnc2c1O 214173933 ZPRWJEQSJWNNJF-UHFFFAOYSA-N 178.191 1.253 10 10 ADCE [N-]=[N+]=NCC(=O)Nc1ccncc1 238637931 UJNYXFBJACEAOJ-UHFFFAOYSA-N 177.167 1.330 10 10 ADCE Oc1ccc(C2=NNCCCC2)cc1 238726428 UFPLLCPHHBQPEB-UHFFFAOYSA-N 190.246 1.870 10 10 ADCE CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2=O 307628990 MVFVKILPOBAESJ-PJKMHFRUSA-N 166.220 1.437 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2CC2)C1 403601348 DLIGBFXLOINMLQ-MRVPVSSYSA-N 194.238 1.698 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@@]12CCC[C@H]1OCC2 1535749179 HUBHCMDZZDYGSU-HLTSFMKQSA-N 197.238 1.617 10 10 ADCE [N-]=[N+]=NCCc1ccc(O)c(O)c1 1535866390 UIDZXCNMEUJHNB-UHFFFAOYSA-N 179.179 1.951 10 10 ADCE [N-]=[N+]=NC[C@H]1OCC[C@H]1F 1880028776 WSOGWDHZAXLDNJ-RFZPGFLSSA-N 145.137 1.424 10 10 ADCE Cc1ccc(CN[C@H]2C[C@@H]2F)c(O)c1 1904107866 LDSJBAUIBDQDMM-UWVGGRQHSA-N 195.237 1.901 10 10 ADCE C[C@@H](O)CCCN1CC[C@H](N=[N+]=[N-])C1 1912165368 JUIOQWGPQDAKHB-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE Cc1ccnc(O)c1CN=[N+]=[N-] 1951522592 XGBNTSVFBXVEDI-UHFFFAOYSA-N 164.168 1.906 10 10 ADCE Cc1cccc(N)c1N[C@@H]1C[C@@H]1CO 1955092239 VEUGIOQXOJYSJJ-PSASIEDQSA-N 192.262 1.370 10 10 ADCE [N-]=[N+]=N[C@@H]1CNC2(CCC2)C1 2208940161 CXAJLOYEGVONFL-LURJTMIESA-N 152.201 1.581 10 10 ADCE CN(CCCN=[N+]=[N-])CC1CC(O)C1 84452882 SDVQNQHEOBKASG-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE CN(C)/N=N/c1csc(C(N)=O)c1 145883700 GKNZOQCZFRGJRT-MDZDMXLPSA-N 198.251 1.407 10 10 ADCE Nc1ccc([C@@H]2CCCCN2)c(O)c1 199387821 PUOLMOPHNGASMN-JTQLQIEISA-N 192.262 1.789 10 10 ADCE NCc1cc(F)c(F)c(F)c1O 212686331 URARQGBUYGXJHB-UHFFFAOYSA-N 177.125 1.268 10 10 ADCE CCOC(=O)C[C@H](CN=[N+]=[N-])N=[N+]=[N-] 231422706 RBXMGFLZBQNLFY-RXMQYKEDSA-N 198.186 1.929 10 10 ADCE CC[C@@](C)(N)Cc1ccc(N)cc1 238293574 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COCC(=O)[C-]1C(C)=C=S=C1C 885458584 VYCIJNHLCYRMHG-UHFFFAOYSA-N 183.252 1.063 10 10 ADCE C[C@H](CO)Cc1ccc(N)cc1 1880740318 BXMMLXFHPCKJKF-QMMMGPOBSA-N 165.236 1.440 10 10 ADCE CCN(CCCF)CCN=[N+]=[N-] 1887717116 GSXXGGUUVNDOKS-UHFFFAOYSA-N 174.223 1.978 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)c1cocn1 1912182316 ACLRFEJTHBMJAA-UHFFFAOYSA-N 195.182 1.057 10 10 ADCE [N-]=[N+]=NCCN1CC2CC(C2)C1 1953595359 KMLFMWFADHMESY-UHFFFAOYSA-N 166.228 1.639 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]21 1957165628 UCFNINBORBXPQT-ULAWRXDQSA-N 192.222 1.164 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2CCC[C@@H]2N1 2242292648 BJRMVRYRFXGCPE-CSMHCCOUSA-N 166.228 1.827 10 10 ADCE C[C@@H](COc1ccc(N)cc1)C(=O)O 38055366 CKBKROJYJGOCGC-ZETCQYMHSA-N 195.218 1.368 10 10 ADCE Cc1n[nH]c(SCCCN=[N+]=[N-])n1 42416469 GOPGDJSTUSKVIY-UHFFFAOYSA-N 198.255 1.906 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@@H](O)C1 42470451 FULYIMKOONQTQJ-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE Cc1cccc([C@H](N)CCO)c1O 44233871 BPNSDNLAYHQURX-SECBINFHSA-N 181.235 1.083 10 10 ADCE COC(=O)/C(=C\O)C1CC1 219904220 CBMPORUVZPTVNP-XQRVVYSFSA-N 142.154 1.011 10 10 ADCE CC[C@H](N)c1c(N)ccc(OC)c1O 238309123 QUCXIMVFDIKTRJ-LURJTMIESA-N 196.250 1.393 10 10 ADCE Cc1cc([C@H](C)N)c(O)c(O)c1C 238416400 VBMVKYSAGWFKTP-ZETCQYMHSA-N 181.235 1.734 10 10 ADCE COc1cc([C@H](C)N)c(O)cc1O 238420975 CQTVQMDBVKUXAG-YFKPBYRVSA-N 183.207 1.126 10 10 ADCE C[C@@H]1CN[C@@H](c2ccc(O)c(O)c2)C1 238455138 GUMREPMMBIOQNY-IONNQARKSA-N 193.246 1.768 10 10 ADCE Nc1c(O)ccc2ccc(O)c(O)c12 238586316 NWZNQHQEHWAEAS-UHFFFAOYSA-N 191.186 1.539 10 10 ADCE CONCc1cc(C)c(C)c(O)c1O 258006158 GXGPPOFNFPQCJN-UHFFFAOYSA-N 197.234 1.366 10 10 ADCE CC[C@](C)(N)c1cc(CO)ccc1O 306257304 PIQNYXLFKNNICU-NSHDSACASA-N 195.262 1.468 10 10 ADCE CNC(=O)NCC1(CN=[N+]=[N-])CC1 379259011 GJLIDYHXBCJIQB-UHFFFAOYSA-N 183.215 1.006 10 10 ADCE C[C@H]1CO[C@H](CN=[N+]=[N-])C1 536958196 MHWXROIZFXYGKM-RITPCOANSA-N 141.174 1.722 10 10 ADCE [N-]=[N+]=NC[C@@]12CCOC[C@H]1C2 1880408488 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10 10 ADCE Cc1ccc(CC(C)(C)N)c(O)c1O 258014209 HQRUIGLHPPVEFN-UHFFFAOYSA-N 195.262 1.686 10 10 ADCE CCC/C=C\[C@H](O)[C@H](CO)N=[N+]=[N-] 379233285 OZGOTMGSRJLYEO-QLFXJFTPSA-N 185.227 1.375 10 10 ADCE N#CN=Nc1ccc(O)cc1 383712284 MHGGXXIBIJEUGU-UHFFFAOYSA-N 147.137 1.957 10 10 ADCE C[C@H]1CC[C@@H](N(C)CCN=[N+]=[N-])CO1 401473163 PZKRJUDSOJWRFW-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CC(C)(CON)c1cccc(O)c1O 1535735447 KHPUOUUNTQFVEW-UHFFFAOYSA-N 197.234 1.266 10 10 ADCE [N-]=[N+]=NCc1ccc(O)c(O)c1O 1535831995 CQLIFDNDSXTRTO-UHFFFAOYSA-N 181.151 1.614 10 10 ADCE Nc1ccc(NC[C@H]2CCN2)cc1 1883132839 HYCVPJKXVAADES-SNVBAGLBSA-N 177.251 1.043 10 10 ADCE CCC(O)(CC)CN1CC(N=[N+]=[N-])C1 1912188472 OLLUYOLFMIKAGJ-UHFFFAOYSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC(F)(F)[C@@H]1O 1912209229 ZMNOQZHYTZERIT-CRCLSJGQSA-N 177.154 1.845 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H]1CC(C)C 1955758533 XHFZGTKBAGCPHE-ONGXEEELSA-N 198.262 1.332 10 10 ADCE CCC[C@@H]1CNCCN1CCN=[N+]=[N-] 2210071789 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GPZRKTXOGIKINS-VIFPVBQESA-N 180.251 1.261 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H](O)CCC[C@H]1N=[N+]=[N-] 213942883 BAUNUBBIQFRSRT-PBXRRBTRSA-N 182.187 1.889 10 10 ADCE NC1(c2c(O)ccc3c2COC3)CC1 214633715 GSXYRLKWVUVZPN-UHFFFAOYSA-N 191.230 1.370 10 10 ADCE Cc1nn(C)cc1[C@H](O)CN=[N+]=[N-] 215854073 UIVMGWILUKWYQY-SSDOTTSWSA-N 181.199 1.072 10 10 ADCE COc1ccc(F)c(C(C)(C)N)c1O 238345409 RSCPWQWLFBUTFN-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE Cc1cc([C@H](C)N)c(O)c(N)c1C 238416382 UPRUDNWXXGUXFI-ZETCQYMHSA-N 180.251 1.611 10 10 ADCE CNCC1(c2ccc(O)c(O)c2)CC1 257861161 VRMJYMDQAHNHNW-UHFFFAOYSA-N 193.246 1.349 10 10 ADCE C[C@H]1CO[C@](C)(c2ccccc2O)N1 258503120 MFKUJYCFJLXPBP-GZMMTYOYSA-N 193.246 1.573 10 10 ADCE N[C@@H](CCF)c1cc(F)ccc1O 575439182 PSAPROYVRRKINX-QMMMGPOBSA-N 187.189 1.891 10 10 ADCE C[C@H]1[C@H](C)CN1c1ccc(CN)cc1 706756381 XLELWDRUJGUSCD-ZJUUUORDSA-N 190.290 1.990 10 10 ADCE CC1=C=S=C(C)[C-]1C(=O)C(C)(C)O 885910494 VZXCCWJWZUMASH-UHFFFAOYSA-N 197.279 1.187 10 10 ADCE CCN(CCN=[N+]=[N-])CC[C@H]1CCO1 1887717144 HDJZGBUBDCMASB-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@]1(C)O 1889151604 XKIUZWHZBSYPNK-IUCAKERBSA-N 198.270 1.390 10 10 ADCE Nc1ccc(CC=CCC(=O)O)cc1 1951431460 ZOEFFKMWJJCJEV-UHFFFAOYSA-N 191.230 1.842 10 10 ADCE C[C@H](N)C=Cc1cc(O)c(O)c(O)c1 1951968379 OVWMYFNODBIPCY-LURJTMIESA-N 195.218 1.164 10 10 ADCE [N-]=[N+]=NCc1cc(N)ccn1 1953295933 OZPWOKQTBXLMSZ-UHFFFAOYSA-N 149.157 1.474 10 10 ADCE Nc1c(C(F)F)sc(C=O)c1O 2080420238 XZTYFCMNINEBAA-UHFFFAOYSA-N 193.174 1.786 10 10 ADCE Cc1cccc([C@H](NN)C2CC2)c1O 2080474991 PODTVTSXTQHJKK-SNVBAGLBSA-N 192.262 1.615 10 10 ADCE Nc1ccc(OC2CSC2)cc1 107128501 PVDOFEJKJMOVDB-UHFFFAOYSA-N 181.260 1.763 10 10 ADCE [N-]=[N+]=N[C@H]1COC[C@@H]1OCC1CC1 137690321 YGTJWDROHKRLHF-YUMQZZPRSA-N 183.211 1.491 10 10 ADCE Cc1cc(CC(=O)O)cc(O)c1O 142798275 WFBHEMQMKRDKGZ-UHFFFAOYSA-N 182.175 1.033 10 10 ADCE C[C@@H]1CCN1c1ccc(CN)cc1F 168296715 IWFIHBRDLGEPHY-MRVPVSSYSA-N 194.253 1.883 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H](O)c1ccccc1 201057465 LIVAZQCOAVMLPE-IUCAKERBSA-N 193.206 1.391 10 10 ADCE CNCc1ccc(F)c(OC)c1O 213183232 CFUSZYDBIFPNED-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE O=C1CC2(CCCC2)CC1=O 215977770 CHQMUFRBNHDFIY-UHFFFAOYSA-N 152.193 1.479 10 10 ADCE CC1(C)C(=O)C(=O)C[C@]1(C)CC(=O)O 238230229 BEXNOYNZSUKODL-SNVBAGLBSA-N 198.218 1.036 10 10 ADCE COC(OC)[C@@H]1OCC[C@@H]1N=[N+]=[N-] 238347974 KYEVXMXACWJYIA-NTSWFWBYSA-N 187.199 1.073 10 10 ADCE Cc1cc(O)c(O)cc1CCCCN 257827876 ICXIDFZWYNUJLH-UHFFFAOYSA-N 195.262 1.688 10 10 ADCE ClN=Nc1nnc[nH]1 307830017 YVCRGSIUNISODB-UHFFFAOYSA-N 131.526 1.042 10 10 ADCE COCC1(Nc2ccc(N)cc2)CC1 697480116 IXLMVGDVFVCZSW-UHFFFAOYSA-N 192.262 1.860 10 10 ADCE CN1CCC[C@H]1C[C@H](CO)N=[N+]=[N-] 1535774331 GVCSZRVQUKGREH-SFYZADRCSA-N 184.243 1.142 10 10 ADCE C[C@H]1C[C@H](Nc2ccc(N)cc2)CN1 1888920928 AUETYUULJQWPGI-KWQFWETISA-N 191.278 1.431 10 10 ADCE CCN(CCO)CCCCN=[N+]=[N-] 1912145628 JMRSBHMNJVHXTC-UHFFFAOYSA-N 186.259 1.391 10 10 ADCE 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C[C@@]1(N)C[C@@H]1c1ccc(O)c(O)c1O 1952362731 MCWJPNJIZFJUCG-LHLIQPBNSA-N 195.218 1.008 10 10 ADCE Oc1cccc([C@@H]2C[C@H](F)CN2)c1O 1952878333 FJQVTNOEZWNEHH-XPUUQOCRSA-N 197.209 1.470 10 10 ADCE CCN(CCN)c1ccc(OC)cc1 20239429 QENGUIXTICRIAL-UHFFFAOYSA-N 194.278 1.480 10 10 ADCE CC(C)[C@@H](N)c1c(O)cc(O)cc1O 95669325 SVTCGIIHIYRKOL-SNVBAGLBSA-N 197.234 1.459 10 10 ADCE N=Nc1cnccn1 117213736 CBPXOCHNGFFZRE-UHFFFAOYSA-N 108.104 1.139 10 10 ADCE CC[C@H]1C[C@@H](CC)C(=O)C1=O 147741956 WDDKBDIDJQVDBM-KNVOCYPGSA-N 154.209 1.581 10 10 ADCE [N-]=[N+]=N/C=C/[C@@H]1C=N1 307092702 BHTLXCBQBDJIPD-ROFOPDMZSA-N 108.104 1.263 10 10 ADCE CO[C@@H]1C=C[C@@H](N=[N+]=[N-])[C@H](C)O1 307490827 ANGHUPFLXKHFII-XVMARJQXSA-N 169.184 1.613 10 10 ADCE N[C@H](c1ccccc1O)[C@@H]1C[C@H]1F 1881897445 XVSSHJWSBWVSOM-NQMVMOMDSA-N 181.210 1.750 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])CC[C@H]1N 1957247688 UUHWLDCGCNAPQE-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE C[C@@H](CO)c1ccc(O)c(O)c1 15113219 BJVPMLXHUPSDMO-LURJTMIESA-N 168.192 1.194 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])[C@H](C)CO1 42415935 HEXVSLXJTAXODK-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE CC1(C)COCCN1CCCN=[N+]=[N-] 42462888 ZZCTVMGJAUEGET-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE Cc1cc(O)c([C@H]2CCCN2)c(O)c1 72201652 CEIUEYLTABJVFB-MRVPVSSYSA-N 193.246 1.831 10 10 ADCE Nc1ccc(O)c([C@H]2CCN2)c1 104581941 NAJVOCNNJPVTOB-MRVPVSSYSA-N 164.208 1.009 10 10 ADCE CC(C)C1CC(=O)C(=O)C1 107115551 SUYBTHWHDMFRNV-UHFFFAOYSA-N 140.182 1.191 10 10 ADCE NCc1ccc(Cl)c(O)c1O 139976812 ABBXKLSVLKTTHM-UHFFFAOYSA-N 173.599 1.210 10 10 ADCE Nc1ccc(N2C[C@@H]3C[C@H](C2)O3)cc1 214601315 REARZNNEBLWPLJ-PHIMTYICSA-N 190.246 1.246 10 10 ADCE CC(C)[C@H]1OC(=O)[C@H](N=[N+]=[N-])[C@@H]1C 238178270 UYTRLCRYCALWFW-RRKCRQDMSA-N 183.211 1.883 10 10 ADCE C[C@@H](N)c1ccc2c(c1O)CCC2 257936962 COQPODLUBLWESI-SSDOTTSWSA-N 177.247 1.901 10 10 ADCE COC[C@H]1OC=C[C@@H](OC)[C@H]1N=[N+]=[N-] 383708305 WMQFCYQYPZOTNA-BWZBUEFSSA-N 199.210 1.239 10 10 ADCE CC(=O)CN[C@H](C)c1ccccc1O 879649711 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1.929 10 10 ADCE COC(=O)CCC(=O)[C@@H](C)N=[N+]=[N-] 140809748 WQAULQGPZOUVHP-RXMQYKEDSA-N 185.183 1.208 10 10 ADCE Cc1cc(O)c([C@](C)(N)CO)cc1C 211590605 MKLQORNVDWAFJW-LLVKDONJSA-N 195.262 1.175 10 10 ADCE C[C@@H](CO)N(C)Cc1ccccc1O 220120705 WJLZPISSSYBRDW-VIFPVBQESA-N 195.262 1.205 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H]2C[C@@H]2[C@@H]1CCO 238665576 LGCLEZGAQFGFIB-XAMCCFCMSA-N 167.212 1.704 10 10 ADCE C[C@H](O)Cc1c(F)ccc(O)c1O 258050438 KORAIEJRDXOKRA-YFKPBYRVSA-N 186.182 1.160 10 10 ADCE Nc1ccc(N[C@H]2CCC[C@H]2O)cc1 306498654 GAENJNMKOBILOT-WDEREUQCSA-N 192.262 1.594 10 10 ADCE CC[C@](C)(N)c1c(O)cccc1OC 306623527 DXNAYRLVPSYFLI-NSHDSACASA-N 195.262 1.985 10 10 ADCE CC[C@@H](Nc1ccc(N)cc1)[C@H](C)O 307587010 RRWIXMYKEGICCX-GZMMTYOYSA-N 194.278 1.840 10 10 ADCE NC(=O)N=NC1CCCCC1 687798635 MUKQJENXBTUKMQ-UHFFFAOYSA-N 155.201 1.850 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@@H](O)C[C@H]1C2 710442611 MWPORGWLSUODJN-IWSPIJDZSA-N 196.254 1.142 10 10 ADCE C/C=C(\CC)C(=O)OCC(=O)C(C)=O 808539804 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197.286 1.356 10 10 ADCE CCC(=O)Nc1cc(O)c(O)c(O)c1 34568508 ZUOFJIKSBBSAKU-UHFFFAOYSA-N 197.190 1.152 10 10 ADCE N=C(N)CSc1nccs1 40676957 NHZLEOVDDFJHEX-UHFFFAOYSA-N 173.266 1.171 10 10 ADCE Cc1ccc(Cl)c(O)c1CN 82633816 XIVCYDGQZNMKNF-UHFFFAOYSA-N 171.627 1.813 10 10 ADCE COC[C@H](N)c1ccc(C)cc1O 104669983 XTCKIKDJEJFGJS-VIFPVBQESA-N 181.235 1.347 10 10 ADCE [N-]=[N+]=NCc1ccc(CO)o1 130784906 KVFGWEMJAABMRR-UHFFFAOYSA-N 153.141 1.582 10 10 ADCE C[C@H](Cc1ccc(O)c(O)c1)N(C)C 163869620 IGATVIFAMZLMSA-MRVPVSSYSA-N 195.262 1.590 10 10 ADCE COc1c(F)cc(C)c([C@H](C)N)c1O 212199213 STBJLNXKFAWLQD-LURJTMIESA-N 199.225 1.868 10 10 ADCE C[C@@H]1Cc2c(ccc(O)c2O)O1 216270222 HMFRWXMEIPCGOW-RXMQYKEDSA-N 166.176 1.421 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)O[C@H]2C=CC[C@@H]21 219303911 OWFLIKAEISZKOI-ZLUOBGJFSA-N 165.152 1.167 10 10 ADCE CC(C)C[C@@H](N=[N+]=[N-])[C@@H](O)CO 238142087 FVMDGEWRMDVXFK-RQJHMYQMSA-N 173.216 1.065 10 10 ADCE Nc1cccc([C@@H]2CCCN2)c1O 238632163 IDSMTMMJIXHUJK-VIFPVBQESA-N 178.235 1.399 10 10 ADCE CN1C(=O)C[C@H]2[C@@H]1CCC[C@H]2N=[N+]=[N-] 306197963 OMFFXUNHRZTZIY-PRJMDXOYSA-N 194.238 1.696 10 10 ADCE CC[C@@H](O)[C@H](C)Nc1ccccc1N 306678348 AJBIPBDPKOOCGX-GZMMTYOYSA-N 194.278 1.840 10 10 ADCE C[C@H](O)[C@H]1Nc2ccccc2N[C@H]1C 307468409 RDQDOCAFLGVOQJ-LAEOZQHASA-N 192.262 1.662 10 10 ADCE NCc1c(O)ccc(F)c1Cl 723036051 ZUXILFGPCHPWMF-UHFFFAOYSA-N 175.590 1.643 10 10 ADCE C[C@@H]1C[C@@]1(F)C(=O)N1CC(N=[N+]=[N-])C1 1878078338 FOUNMBFKDIVQQN-XRGYYRRGSA-N 198.201 1.256 10 10 ADCE CCCC[C@H](N)[C@@H](O)CN=[N+]=[N-] 1880818632 BCWPYCOQFJEDNA-BQBZGAKWSA-N 172.232 1.175 10 10 ADCE C=C=CCCN(C)CCN=[N+]=[N-] 1880853880 PTVZUFMCOBLZTA-UHFFFAOYSA-N 166.228 1.960 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1C=CCC1 1881530708 STPNFJXPKUPEHA-MRVPVSSYSA-N 166.228 1.947 10 10 ADCE COC[C@@H]1CC[C@H](N=[N+]=[N-])CC1=O 1882573337 AOIMKHCSXHFDDR-BQBZGAKWSA-N 183.211 1.681 10 10 ADCE COC[C@@H]1C[C@@H]1CN1CC(N=[N+]=[N-])C1 1888144979 MGIYCHQXCKOUDV-SFYZADRCSA-N 196.254 1.263 10 10 ADCE 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ADCE C[C@H](N)c1c(O)ccc(F)c1O 238804835 XAJGKCGJJPJTLA-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE Cc1cc2c(c([C@H](C)N)c1O)CCO2 258209646 ZDOIHRMRXVYQIM-ZETCQYMHSA-N 193.246 1.655 10 10 ADCE CCO[C@H]1C[C@@H](N=[N+]=[N-])C1 307415079 XHOPWGYQRGOHDJ-OLQVQODUSA-N 141.174 1.864 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])CCCO1 307626492 KLOIJUSTILPKGT-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE CC(C)(CN=[N+]=[N-])n1ccnc1 687825277 XJKHRZZOWNUXQP-UHFFFAOYSA-N 165.200 1.929 10 10 ADCE [N-]=[N+]=NCCC[S@@](=O)CC1CC1 1880713369 DBZOSZNZWPINHS-GFCCVEGCSA-N 187.268 1.846 10 10 ADCE CC=CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 1884647085 GLXRNPLJYIVHAK-MRVPVSSYSA-N 194.238 1.864 10 10 ADCE C[C@@H]1CC[C@@]2(CO[C@@H](CN=[N+]=[N-])N2)C1 1891744522 FVQIWHYSTMRUCU-VGMNWLOBSA-N 196.254 1.801 10 10 ADCE Nc1ccc(OC[C@H]2C[C@@H](N)C2)cc1 1896303409 XWOSFCZGKYBPQP-WAAGHKOSSA-N 192.262 1.385 10 10 ADCE C[C@@H](O)C1CN(CCCCN=[N+]=[N-])C1 1912144791 ARJYMLDMVPFRKN-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)c1ncccc1C 1951921058 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O=C1OC2(CCCC2)C/C1=C/O 238606334 LDHRTIKOCSEPPX-SREVYHEPSA-N 168.192 1.688 10 10 ADCE C[C@H](N)c1c(O)cc(O)cc1F 238804834 YNAKWEFHZUQMTB-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE CC(C)C[C@](C)(O)N=NCCO 256090607 AUTJHCLPIWELKR-QMMMGPOBSA-N 174.244 1.186 10 10 ADCE COc1cc(C)c(C)c(CNO)c1O 258194320 XRZXHXPLHOJQGY-UHFFFAOYSA-N 197.234 1.496 10 10 ADCE CCOc1ccc2c(c1)OCCN2C 307053926 QGKNZHCEBKYJGC-UHFFFAOYSA-N 193.246 1.914 10 10 ADCE CCCOCCOC(=O)/C(C)=C\O 308169229 ULMWARMLQPRLOF-FPLPWBNLSA-N 188.223 1.418 10 10 ADCE CN=NC(C)(C)CC(C)=O 383718653 ZLQCALYXDVPYDB-UHFFFAOYSA-N 142.202 1.826 10 10 ADCE C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1897868120 LRYHNKGOHLGLJY-BWZBUEFSSA-N 194.238 1.554 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CCCCCO)C1 1912160626 YSJMLGHGICBPJO-SECBINFHSA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=NCCN=S1(=O)CCCC1 1912161402 JCWKZCYHADMGMD-UHFFFAOYSA-N 188.256 1.559 10 10 ADCE [N-]=[N+]=NC1CN(CCC2(O)CCC2)C1 1912177659 GMFMLBXYNFITBD-UHFFFAOYSA-N 196.254 1.286 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@H]2CCC[C@H]21 1912182581 DKTAIYCEUZSFHJ-JGVFFNPUSA-N 194.238 1.698 10 10 ADCE C[C@@H](CC(=O)O)N1CC[C@H](N=[N+]=[N-])C1 1912195587 GDDCEGKVLXPHGU-BQBZGAKWSA-N 198.226 1.234 10 10 ADCE CCN[C@H](c1ccccc1O)[C@H](C)O 1929432839 VVFGQAGFMFAJCC-KWQFWETISA-N 195.262 1.424 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1c(O)cccc1F 1951358172 UPOLENBPDSLISQ-ZCFIWIBFSA-N 197.169 1.875 10 10 ADCE C[C@H]1CCNC[C@H]1N(C)CCN=[N+]=[N-] 1957242934 CFDUGXSTPRPEKG-DTWKUNHWSA-N 197.286 1.227 10 10 ADCE NCc1ccc(N2CCCC2)c(F)c1 11757275 XFCXPRPILBVTCI-UHFFFAOYSA-N 194.253 1.885 10 10 ADCE CC[C@@H](O)N(C)c1ccc(O)c(O)c1 59957737 NFBHKJSKPXWGKJ-SNVBAGLBSA-N 197.234 1.262 10 10 ADCE C=Cc1ccc(O)c([C@@H](N)C(=O)O)c1 220808160 LIQOULFELSEAJD-SECBINFHSA-N 193.202 1.120 10 10 ADCE CC(=O)O[C@@H]1C=C[C@H](N=[N+]=[N-])OC1 238098586 AKZMXUVFHIGVNI-RNFRBKRXSA-N 183.167 1.141 10 10 ADCE COC(=O)c1c(C)sc(C)c1O 261263607 LZWKMTGOBWJNQB-UHFFFAOYSA-N 186.232 1.857 10 10 ADCE CC[C@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 387543173 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CNC[C@@H](C)Sc1nccs1 53647032 WYZDGBUPKVLBAS-ZCFIWIBFSA-N 188.321 1.843 10 10 ADCE COC[C@H](C)N=[N+]=[N-] 69902952 ARCDAGQBETZLJV-BYPYZUCNSA-N 115.136 1.332 10 10 ADCE CCNCC/C=C/c1nccn1CC 86571432 QGQBDTKRXVTBFV-FNORWQNLSA-N 193.294 1.916 10 10 ADCE C[C@@H](O)CCOc1ccc(N)cc1 133422036 JNWDBERFTHYKMK-MRVPVSSYSA-N 181.235 1.419 10 10 ADCE CCN(CO)/N=N/c1cccnc1 196187018 SQQSWRHMFLEQTG-ZHACJKMWSA-N 180.211 1.352 10 10 ADCE C[C@@H]1C[C@@H](C)N(C[C@H](O)CN=[N+]=[N-])C1 206124960 YGVLNUUWJTUVJZ-IWSPIJDZSA-N 198.270 1.388 10 10 ADCE Cc1cc(O)c(O)cc1F 211759315 JJLQMJHIBANAFQ-UHFFFAOYSA-N 142.129 1.545 10 10 ADCE ONCc1ccc2ncoc2c1O 214232450 CDQOUFFVYNXJEB-UHFFFAOYSA-N 180.163 1.012 10 10 ADCE C=C(N=[N+]=[N-])OCC 214829414 PZAVAFIWUBLHHY-UHFFFAOYSA-N 113.120 1.804 10 10 ADCE CCOc1ccc(O)c(C(C)(C)N)c1 238290446 VSNFFNZWCRSUCO-UHFFFAOYSA-N 195.262 1.985 10 10 ADCE Nc1ccc(Cn2ccoc2=O)cc1 257969828 IDBKHQILULLSEP-UHFFFAOYSA-N 190.202 1.072 10 10 ADCE Cc1cc(CCO)c(F)c(O)c1O 258070334 MHONWXCCAPDJMZ-UHFFFAOYSA-N 186.182 1.080 10 10 ADCE Nc1cc(-c2cccc(O)c2O)[nH]n1 258201144 YLULZAZHTDCDNZ-UHFFFAOYSA-N 191.190 1.070 10 10 ADCE O=C1O[C@H]2CCC[C@H]2C/C1=C/O 306414947 PBKBTTQHVSACPU-SACCCDBLSA-N 168.192 1.544 10 10 ADCE COc1cccc([C@@H](C)NO)c1O 306425637 HJSVKQIMPWCBFF-ZCFIWIBFSA-N 183.207 1.441 10 10 ADCE CCn1ccc([C@H](CO)N=[N+]=[N-])n1 1535702197 UZFBLYQAZAJEBJ-ZETCQYMHSA-N 181.199 1.247 10 10 ADCE C[C@H]1CC(=Cc2nccn2C)CN1 1887160816 ZHCYBWSCGLHFFP-QMMMGPOBSA-N 177.251 1.185 10 10 ADCE CN(C[C@@H]1CCO1)c1ccc(N)cc1 1888521111 NSJRPDXXCJCIQV-NSHDSACASA-N 192.262 1.494 10 10 ADCE CCN[C@@H](c1ccccc1O)[C@@H](C)N 1956179203 HIOMCZQIUDWERJ-LDYMZIIASA-N 194.278 1.390 10 10 ADCE Nc1ccc(N[C@]23CNC[C@@H]2C3)cc1 2210025785 VFFDSDKOECXYDJ-GZMMTYOYSA-N 189.262 1.043 10 10 ADCE CC(=O)C(=O)C1(O)CC2(CC(C)C2)C1 2241339155 YHQAUSCOHCHCSQ-UHFFFAOYSA-N 196.246 1.086 10 10 ADCE N[C@H]1CCc2c(cc(O)c(O)c2F)C1 29388670 OSVFEAMITKLJDN-LURJTMIESA-N 197.209 1.053 10 10 ADCE COc1ccccc1C(=O)C(C)=O 34288299 JYWSIGWICALXFL-UHFFFAOYSA-N 178.187 1.467 10 10 ADCE CN1CCNc2cc3c(cc21)OCO3 82388899 MZBMVHDHFWTXNH-UHFFFAOYSA-N 192.218 1.277 10 10 ADCE Nc1ccc(C[C@H]2CCC(=O)N2)cc1 82390358 RTYUIWKAMKARBN-SNVBAGLBSA-N 190.246 1.090 10 10 ADCE COc1cc2c(cc1N)N(C)CC2 82397783 LAMUHGWFYNMFAF-UHFFFAOYSA-N 178.235 1.270 10 10 ADCE CN[C@@H](C)c1cc(N)ccc1O 138212684 ONCQFGXMUXDVBP-LURJTMIESA-N 166.224 1.255 10 10 ADCE C[C@H]1CC[C@@H](C)N1C[C@H](O)CN=[N+]=[N-] 206125488 IFSVXRQNWRSZBB-HRDYMLBCSA-N 198.270 1.530 10 10 ADCE NCc1c(O)ccc2c1OCCCO2 212147389 PKZILNNJYQRNSC-UHFFFAOYSA-N 195.218 1.012 10 10 ADCE COc1c(C)cc(C)c(O)c1O 212322646 HWKFFDCHGWGJPP-UHFFFAOYSA-N 168.192 1.723 10 10 ADCE CO[C@@H]1C[C@H](N=[N+]=[N-])C[C@@](C)(CO)C1 238336035 OPBXOJCMFZOFPE-DJLDLDEBSA-N 199.254 1.863 10 10 ADCE COc1cc(O)c(CN)cc1Cl 238391365 OGHOZJONWRJZNW-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE NC1(c2c(O)cccc2F)CCC1 238558782 QRWPBYUMBKXVPW-UHFFFAOYSA-N 181.210 1.869 10 10 ADCE NC1(c2c(O)cccc2O)CCCC1 257981486 DSRGEJQWIVRBKQ-UHFFFAOYSA-N 193.246 1.826 10 10 ADCE CN1CCCN(CCN=[N+]=[N-])C1=O 306436243 FXZJOPYTSLXASV-UHFFFAOYSA-N 183.215 1.054 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H](O)CC1 307363494 HPWFTHHHDRSDLW-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE COC[C@@H]1OC=C[C@@H](N=[N+]=[N-])[C@H]1OC 308367759 MHXMETAYZIPXQC-GJMOJQLCSA-N 199.210 1.239 10 10 ADCE COC(=O)/C=C(/O)[C@H](C)CCN=[N+]=[N-] 383690018 VIZARGKCWQAWPS-LUFONEFESA-N 199.210 1.938 10 10 ADCE C[C@@H](CF)NCCc1ccc(N)cc1 702609157 WGGAWLGUHNCETD-VIFPVBQESA-N 196.269 1.759 10 10 ADCE C[C@H]1CO[C@H](c2ccc(O)c(O)c2)N1 953005303 MFFUJGWJHPJAMF-QUBYGPBYSA-N 195.218 1.105 10 10 ADCE C[C@]1([C@H](O)CN=[N+]=[N-])CC1(F)F 1881562028 FQGBAGBKKICNHP-RFZPGFLSSA-N 177.154 1.703 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2CCO[C@@H]2C1 1886460143 PHVHXHBDIKNEHW-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE Oc1ccc(F)cc1CN[C@H]1C[C@@H]1F 1887538684 WSABVOOYYZJDTR-IUCAKERBSA-N 199.200 1.731 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H](C)[C@@H](C)O 1887712148 HBQZJIDDVDCEDX-JGVFFNPUSA-N 186.259 1.388 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H](N)C12CCC2 1893381892 GITDSYCBXRPMSH-NKWVEPMBSA-N 166.228 1.814 10 10 ADCE CCC[C@H]1CCC[C@@]1(O)C(=O)C(C)=O 1932511509 JJBNCMZQSKCONR-ONGXEEELSA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1954431703 BEZAVBXSEDIEQV-BGZDPUMWSA-N 178.239 1.637 10 10 ADCE Cc1ccc(Cn2cncn2)c(O)c1 2070174919 JREDKKIPLMCSPO-UHFFFAOYSA-N 189.218 1.340 10 10 ADCE C[C@]1(O)C[C@@H]2[C@@H]1CCN2CCN=[N+]=[N-] 2209466061 DJESSQMEKKIVGX-YIZRAAEISA-N 196.254 1.142 10 10 ADCE CO[C@]12CC[C@@H]1CN(CCN=[N+]=[N-])C2 2210006833 YGSWWBFVFXEZER-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE CC=Cc1cc(O)cc(O)c1O 2295902629 XKAFGUQYHJPPCB-UHFFFAOYSA-N 166.176 1.837 10 10 ADCE COc1ccc2c(c1)[C@@H](N)CN2C 19722009 IIGSASBXGDCEEN-VIFPVBQESA-N 178.235 1.145 10 10 ADCE Cc1cc(C)c(O)c([C@@H](N)CO)c1 72197457 LSRCVVQIWDKWHV-VIFPVBQESA-N 181.235 1.001 10 10 ADCE O=Cc1nc2cc(O)c(O)cc2o1 82397612 YJXTUNUCMZWIOX-UHFFFAOYSA-N 179.131 1.052 10 10 ADCE O=C1CCc2ccccc2C1=O 118374164 SDFDEKLHKAQRHH-UHFFFAOYSA-N 160.172 1.385 10 10 ADCE CC(C)[C@H](O)CN=[N+]=[N-] 130777326 JSAULPOVONRDHY-RXMQYKEDSA-N 129.163 1.314 10 10 ADCE CC[C@H](N=[N+]=[N-])[C@@H](C)C(=O)O 146382673 PJHWUVDKSTXEFO-UHNVWZDZSA-N 157.173 1.796 10 10 ADCE COc1cc([C@H](C)N)c(O)cc1C 211786955 JHZBQOOYHYZWBZ-ZETCQYMHSA-N 181.235 1.729 10 10 ADCE Oc1cccc2c1CN[C@H](C(F)F)C2 219904116 LWOFIMOALPGEGZ-QMMMGPOBSA-N 199.200 1.672 10 10 ADCE [N-]=[N+]=NCCSc1ncc[nH]1 236183970 FIGBGPBDBHNUIY-UHFFFAOYSA-N 169.213 1.812 10 10 ADCE CC(=O)N[C@H](N=[N+]=[N-])C(F)(F)F 238140852 HGYZVOCHLJBSOE-GSVOUGTGSA-N 182.105 1.321 10 10 ADCE C/C=C1/C=COC1=O 306916212 WSQRVMIUXVJCGY-DJWKRKHSSA-N 110.112 1.003 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2[C@H](C1)C2(F)F 715374277 DQPCEPJIFJBSQO-WDSKDSINSA-N 188.181 1.494 10 10 ADCE CC1CC([C@H](O)CN=[N+]=[N-])C1 1880513609 WWUFDALWTVGYFH-KPGICGJXSA-N 155.201 1.704 10 10 ADCE C[C@@H](Oc1ccc(N)cc1)C(C)(C)N 1896269654 WLCCXCCTQDKCGA-MRVPVSSYSA-N 194.278 1.773 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C=CCC1 1912162172 SMYPUHHGGCYTHJ-MRVPVSSYSA-N 194.238 1.721 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@@H](C2CC2)CCO1 1912199198 POINFELWJOXZLK-HTQZYQBOSA-N 182.227 1.411 10 10 ADCE C[C@]1(c2ccccc2O)CC(=O)N1 1951975633 SPFQSBQIRPFCJD-SNVBAGLBSA-N 177.203 1.127 10 10 ADCE Oc1c(F)cccc1[C@@H]1NCC[C@@H]1F 1952828961 GPLSBAGWBUJTQN-CBAPKCEASA-N 199.200 1.904 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@@H]1[C@H]2CC[C@H]21 1955485591 FTDWFLHYNDCGRV-JIGDXULJSA-N 194.238 1.459 10 10 ADCE Oc1ccc(Cc2ncc[nH]2)cc1O 40466246 IEMBTLGKRWPRDN-UHFFFAOYSA-N 190.202 1.412 10 10 ADCE C[C@@H]1C[C@]1(N)c1ccc(O)c(O)c1 84334471 GJZMDJSEAQYSKI-LHLIQPBNSA-N 179.219 1.292 10 10 ADCE CN1CC(C)(C)[C@@H](N=[N+]=[N-])N(C)C1=O 238329727 WCSIHGCGSWAFIS-LURJTMIESA-N 197.242 1.646 10 10 ADCE NCc1c(F)ccc(F)c1O 238622820 NISSCWQZNHDFMZ-UHFFFAOYSA-N 159.135 1.129 10 10 ADCE O=[N+]([O-])c1ccc([C@H]2CCN2)c(O)c1 238704629 REKAZZDXROQEGX-MRVPVSSYSA-N 194.190 1.335 10 10 ADCE Oc1c(F)ccc(F)c1[C@@H]1CCN1 238723593 QVTPWTLVNKMQNI-ZETCQYMHSA-N 185.173 1.705 10 10 ADCE Oc1c(F)ccc(C2(O)CC2)c1O 258179120 WLXGEDSMRONKBA-UHFFFAOYSA-N 184.166 1.218 10 10 ADCE [N-]=[N+]=NC[C@H]1CNC[C@H]1C(F)F 306868032 QHYIIKZUYJLUGW-RFZPGFLSSA-N 176.170 1.397 10 10 ADCE CCNCc1ccc(F)c(F)c1O 703418413 XEDXOORQVCLDSJ-UHFFFAOYSA-N 187.189 1.780 10 10 ADCE Nc1ccc(N[C@@]23COC[C@H]2C3)cc1 718061745 JRKAOFIKSPZRIB-KCJUWKMLSA-N 190.246 1.470 10 10 ADCE OCC1(c2ccc(O)c(O)c2)CCC1 1535861417 YXBSLFHCWVGLIN-UHFFFAOYSA-N 194.230 1.512 10 10 ADCE [N-]=[N+]=NCC1(F)COCCOC1 1881029472 RSNUUXLOUGUHHR-UHFFFAOYSA-N 175.163 1.052 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1C=CCC1 1881530709 STPNFJXPKUPEHA-QMMMGPOBSA-N 166.228 1.947 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2F)C1 1884717291 FPLZVDQVAQNQEQ-VQVTYTSYSA-N 198.201 1.256 10 10 ADCE C[C@@H](Nc1ccccc1N)C1CNC1 1888914836 JGIUDJQYIQJYEM-MRVPVSSYSA-N 191.278 1.289 10 10 ADCE NCC1(COc2ccc(N)cc2)CC1 1896303027 PDIZMNXSHBJUGG-UHFFFAOYSA-N 192.262 1.387 10 10 ADCE C[C@@H](C(=O)O)N1CCC[C@H](N=[N+]=[N-])C1 1912172038 QSKOFXVADYETGR-BQBZGAKWSA-N 198.226 1.234 10 10 ADCE CC(=O)C(=O)c1cccc(S)c1 1952041035 UVTVVQWRGLSLNL-UHFFFAOYSA-N 180.228 1.747 10 10 ADCE CC[C@H](N)c1c(O)cccc1[N+](=O)[O-] 1952317190 LOLBUQAROZEXAM-LURJTMIESA-N 196.206 1.710 10 10 ADCE CC[C@H](N)[C@@H](NC)c1ccccc1O 1956163792 GHMVKGYTFIUFDR-ONGXEEELSA-N 194.278 1.390 10 10 ADCE [N-]=[N+]=NCCCCN1CCO[C@@H]2C[C@H]21 1956881630 DGXCANXWHOJGAY-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE CCO[C@@]1(CN=[N+]=[N-])CCOC1 2241916420 GQWVBSUPRYZIRA-SSDOTTSWSA-N 171.200 1.492 10 10 ADCE NCCc1ccc(O)c(O)c1Cl 6091739 QJFLNNIHWWVCFG-UHFFFAOYSA-N 187.626 1.252 10 10 ADCE C[C@H](NCCCN)c1ccccc1O 37713185 ACHVPFTZZUZHDZ-VIFPVBQESA-N 194.278 1.392 10 10 ADCE CCC[C@H](C)C(=O)NCCN=[N+]=[N-] 42012600 AUEKRZDQMANRPQ-ZETCQYMHSA-N 184.243 1.849 10 10 ADCE CC(=O)C(=O)c1cc(F)ccc1F 71499472 LBSNIRLFGNHVOQ-UHFFFAOYSA-N 184.141 1.737 10 10 ADCE CC[C@H]1Nc2c(N)cccc2NC1=O 74272718 FHBJJHHHUQYZKI-SSDOTTSWSA-N 191.234 1.411 10 10 ADCE Oc1cc(F)ccc1[C@@H]1COCCN1 82909968 ZJQBCNVXQBPVHG-VIFPVBQESA-N 197.209 1.192 10 10 ADCE COc1cccc([C@H](C)N)c1O 83591533 WDDKVEAKUIBZEB-LURJTMIESA-N 167.208 1.421 10 10 ADCE [N-]=[N+]=NCCn1ccn(C2CC2)c1=O 87666772 PQADMYQXSUHSRF-UHFFFAOYSA-N 193.210 1.295 10 10 ADCE CC(=O)[C@@H](C)N=[N+]=[N-] 95831571 NRZNTCITZHGXIJ-GSVOUGTGSA-N 113.120 1.274 10 10 ADCE CNCc1c(O)ccc2c1COC2 108292297 ZQMUWTYPFKGTCY-UHFFFAOYSA-N 179.219 1.142 10 10 ADCE N=C(N)/N=N/c1ccc(F)cc1 140821352 JBRMSYAERZWVLP-VAWYXSNFSA-N 166.159 1.803 10 10 ADCE C[C@@H](O)/C=C/c1ccc(O)c(O)c1 146087169 IETUJSYZCNZPKR-TYWZFMJISA-N 180.203 1.492 10 10 ADCE Oc1cccc([C@H]2CCCCN2)c1O 200837838 KRJHUYSOXFJMPP-SECBINFHSA-N 193.246 1.912 10 10 ADCE Cc1ccc(O)c2c1C(=O)C[C@H]2N 713753680 OCSDWJLUMZXOND-ZCFIWIBFSA-N 177.203 1.287 10 10 ADCE C[C@H](Nc1ccccc1N)[C@@H](C)N 1883134860 ZUZVAWLLLAZWCC-SFYZADRCSA-N 179.267 1.416 10 10 ADCE C[C@H](N=[N+]=[N-])c1ccn(C)n1 1912179604 WMKZKHFNDBCEHA-YFKPBYRVSA-N 151.173 1.791 10 10 ADCE N[C@H](c1ccccc1O)[C@@H]1CCCO1 1928472302 ZJNHCUKUMVGPPZ-WDEREUQCSA-N 193.246 1.571 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cnc(Cl)cn1 1951469396 GYMBEAVKGQAMOC-YFKPBYRVSA-N 199.601 1.474 10 10 ADCE N[C@H]1C[C@H](c2cccc(O)c2O)C1 1952823418 KMHFFIICEAWJAL-LJGSYFOKSA-N 179.219 1.303 10 10 ADCE CN(C)N=Nc1ccc2c(c1)OCO2 2330184867 JHPQKDCUAHBCAH-UHFFFAOYSA-N 193.206 1.976 10 10 ADCE CC(C)(C)[C@@H](O)CN=[N+]=[N-] 34329641 HJFYBSIVFGZTKM-YFKPBYRVSA-N 143.190 1.704 10 10 ADCE Oc1ccc2c(O)ccc(O)c2c1O 60147562 JHBCAOBRUPIFBZ-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE CCN1CCN(CCN=[N+]=[N-])C[C@@H]1C 82484373 HRCZBIKACJFBPB-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CNCc1ccc(C)cc1O 82840833 TVFNTLGWQIUKMM-UHFFFAOYSA-N 151.209 1.420 10 10 ADCE C[C@H]1CCS[C@@H](CN=[N+]=[N-])N1 87604214 QXUURCCIFSULGQ-WDSKDSINSA-N 172.257 1.738 10 10 ADCE Cc1cc(F)cc([C@@H](N)[C@@H](C)O)c1O 95683146 HNRDGMKFMORYSA-MUWHJKNJSA-N 199.225 1.220 10 10 ADCE COCO[C@H]1[C@H](N=[N+]=[N-])C=CO[C@@H]1C 138972131 ZJPZKHNRQBWLJI-BWZBUEFSSA-N 199.210 1.587 10 10 ADCE [N-]=[N+]=NCc1cc(C(=O)O)no1 201904144 QZBRNDJWXHXSHJ-UHFFFAOYSA-N 168.112 1.183 10 10 ADCE NCc1c(O)cccc1C(F)F 212538056 XHBBCZVZVKBHTJ-UHFFFAOYSA-N 173.162 1.789 10 10 ADCE Cc1cc(O)c2c(c1)OCC[C@H]2N 238492878 LEDAEYVGOQWPEL-SSDOTTSWSA-N 179.219 1.483 10 10 ADCE Cc1ccc(C(C)(C)N)c(O)c1O 257938089 CPQALJDOVKNESH-UHFFFAOYSA-N 181.235 1.600 10 10 ADCE Cc1c(C2(O)CC2)cc(O)c(O)c1C 258207452 ZAAJRJKSUFHRBY-UHFFFAOYSA-N 194.230 1.696 10 10 ADCE O=C1OC[C@@H]2CCCC[C@H]2/C1=C\O 393544215 CWLAIBWYXYYFSD-NLHCUKTESA-N 182.219 1.792 10 10 ADCE [N-]=[N+]=NCC1=CSC2=NCCN12 575576471 ATGAKTKOKIJARJ-UHFFFAOYSA-N 181.224 1.557 10 10 ADCE C[C@@H]1C[C@H]1CN=[N+]=[N-] 722895364 BGRGBYWLTQIDJK-UHNVWZDZSA-N 111.148 1.953 10 10 ADCE CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 885300265 PALATFUQBPJALB-ZETCQYMHSA-N 168.200 1.165 10 10 ADCE NNCc1cccc(Cl)c1O 1536188908 UNRZMOICJOAJRQ-UHFFFAOYSA-N 172.615 1.009 10 10 ADCE C[C@H]1[C@@H](N=[N+]=[N-])CC[C@H]1O 1880028292 PTCJQMIETUHCBT-HCWXCVPCSA-N 141.174 1.456 10 10 ADCE CCc1ncncc1CN=[N+]=[N-] 1880770230 UYDASTKHIKJGSC-UHFFFAOYSA-N 163.184 1.849 10 10 ADCE Cc1nc(C=C2CCNC2)n(C)c1C 1905551371 ZTJSMRWXFGRCBH-UHFFFAOYSA-N 191.278 1.414 10 10 ADCE CCC[C@@H](C(=O)O)N1CC(N=[N+]=[N-])C1 1912154363 HJYDWRBXAKJLAC-ZETCQYMHSA-N 198.226 1.234 10 10 ADCE COCCN1CCC[C@@H](N=[N+]=[N-])C1 1912208562 VBYSNLNULMHXGU-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE [N-]=[N+]=NCCCN1CC2(CC2)CO1 1912210774 NPUDHWYSGHXXLK-UHFFFAOYSA-N 182.227 1.714 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@@H]2CCCC[C@H]21 1929219374 AMSFOMGIQBYJPM-NGZCFLSTSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1c(O)cccc1F 1951358171 UPOLENBPDSLISQ-LURJTMIESA-N 197.169 1.875 10 10 ADCE Oc1ccc([C@H]2C[C@H](F)CN2)cc1O 1952877966 ZYTRBOWFOSFKPF-JGVFFNPUSA-N 197.209 1.470 10 10 ADCE CCCNCCCN=[N+]=[N-] 1953194196 TVMCIJCSQVGPAS-UHFFFAOYSA-N 142.206 1.686 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@@H](N)CC1 1953345282 ULEKLGWVNKDOTE-KNVOCYPGSA-N 154.217 1.814 10 10 ADCE C[C@H]1NCCc2ccc(O)c(O)c21 14723167 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CCC[C@]1(OC)C=C[C@@H](OC)O1 168367317 LYFHTRSBZZPXSG-DTWKUNHWSA-N 172.224 1.688 10 10 ADCE Cc1cc(N)c(O)c([C@H](N)C(C)C)c1 238170075 LVLXGRDDBMVQGY-SNVBAGLBSA-N 194.278 1.939 10 10 ADCE COC(=O)c1ccc([C@H](C)N)c(O)c1 238399803 ROPDFCQSOONXFS-LURJTMIESA-N 195.218 1.199 10 10 ADCE C[C@H](O)[C@H](N)c1cc(S)ccc1O 238489726 QACOYJDBZJISMM-CDUCUWFYSA-N 199.275 1.062 10 10 ADCE [N-]=[N+]=NCCCC[C@@H]1OCC1=O 238608346 CYKIGQJBGROYNL-ZETCQYMHSA-N 169.184 1.435 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])[C@H](C)C1CC1 238801190 OOOJAKDLZDVZKE-IYSWYEEDSA-N 183.211 1.884 10 10 ADCE [N-]=[N+]=N[C@H](CO)C1CC(F)(F)C1 1536095607 MVRAYJALKQREDT-RXMQYKEDSA-N 177.154 1.703 10 10 ADCE [N-]=[N+]=NCCSC[C@H]1CCNC1 1881268669 HFNPVUPTQGZJOY-ZETCQYMHSA-N 186.284 1.639 10 10 ADCE [N-]=[N+]=NCCN1CCC(F)(F)C1=O 1882412230 MFPNEZKFBXZZGD-UHFFFAOYSA-N 190.153 1.164 10 10 ADCE CC(C)[C@]1(C)CC(=O)N1CCN=[N+]=[N-] 1888652545 QTKRDBFLXYFXFB-VIFPVBQESA-N 196.254 1.944 10 10 ADCE CC1=C(c2ncc(C)n2C)CNCC1 1888779719 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CC(C)[C@](C)(N)c1c(O)cccc1O 95757944 BAUKUQQQAAJQER-NSHDSACASA-N 195.262 1.928 10 10 ADCE CCC[C@H](N)c1cc(O)c(O)cc1O 104405573 WITGSFUYIODPIK-ZETCQYMHSA-N 197.234 1.603 10 10 ADCE O=C(O)[C@H]1CCCC1=S 104724698 UCHMXSBSJAEXOC-BYPYZUCNSA-N 144.195 1.241 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1C2 104897630 WIJMSJILHDJRPG-YUMQZZPRSA-N 166.228 1.781 10 10 ADCE NC[C@@H](F)c1ccc(O)c(O)c1 108289333 NEVNPXHLIFMZLX-ZCFIWIBFSA-N 171.171 1.067 10 10 ADCE C[C@H](CO)[C@@H](C)Nc1ccc(N)cc1 123246859 CGSMOTCUPMFCNC-RKDXNWHRSA-N 194.278 1.698 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H](C)N1C 127825790 GBTMJJGZVOOODJ-IUCAKERBSA-N 197.286 1.321 10 10 ADCE Cn1ccc(CN=[N+]=[N-])n1 169003250 RYRIGEUZBOKWGQ-UHFFFAOYSA-N 137.146 1.230 10 10 ADCE CCCNC(=O)[C@H](N=[N+]=[N-])C(C)C 238245597 NZDOAAZUMOSEQZ-SSDOTTSWSA-N 184.243 1.848 10 10 ADCE NCCC[C@H](N)c1cccc(F)c1O 575438065 DELJBYUDWPUSMX-VIFPVBQESA-N 198.241 1.270 10 10 ADCE [N-]=[N+]=N[C@@]1(C2CC2)CCNC1 669385087 XEWZBIIKNXQPCY-ZETCQYMHSA-N 152.201 1.439 10 10 ADCE COc1cc(C[C@@H](C)O)cc(O)c1O 1535811792 LUBJCYITVOFIQD-ZCFIWIBFSA-N 198.218 1.030 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H]1CCCCO1 1535860054 BYJQWDGMIZJSDH-BQBZGAKWSA-N 171.200 1.227 10 10 ADCE CO[C@H]1C[C@@H]1CN=[N+]=[N-] 1879973511 KUNQPBYTNSKULQ-UHNVWZDZSA-N 127.147 1.332 10 10 ADCE Nc1ccc(N[C@@H]2C=CCNC2)cc1 1888898483 LFZGTEBDQSPZAX-LLVKDONJSA-N 189.262 1.209 10 10 ADCE C[C@H](c1ccccc1O)n1cnnc1 1889482615 FEUXLTIVUZNQSK-MRVPVSSYSA-N 189.218 1.593 10 10 ADCE O=C1CC[C@H]([C@@H]2CCCCCN2)C1=O 1932573154 FLJBWTHRGMYIII-BDAKNGLRSA-N 195.262 1.067 10 10 ADCE CC1(C)C[C@H](O)CN1CCN=[N+]=[N-] 1934006908 HVADARVTPXMOLR-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE CC[C@H]1CN[C@H](CN=[N+]=[N-])S1 1934346951 RKHDIOMDTMPPDK-WDSKDSINSA-N 172.257 1.738 10 10 ADCE [N-]=[N+]=NCCc1ccc2nn[nH]c2c1 1951351421 ZCGOEFBKMQKVKI-UHFFFAOYSA-N 188.194 1.811 10 10 ADCE CC(=O)C(=O)CCc1ccc(F)cc1 1951508866 XJNVUZOVOCMDET-UHFFFAOYSA-N 194.205 1.916 10 10 ADCE C[C@H](N)c1c(O)cccc1[N+](=O)[O-] 1951896181 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C[C@@]1(Nc2ccc(N)cc2)CCOC1 161608724 JRWHEXJSHZYIFU-LLVKDONJSA-N 192.262 1.860 10 10 ADCE CCCCC[C@H](N=[N+]=[N-])[C@@H](O)CO 220713739 CARUOWMYBHPAEK-YUMQZZPRSA-N 187.243 1.599 10 10 ADCE CC(C)(C)[C@H](N)c1cc(O)nc(O)c1 238172828 GAQQQUNXJDETHY-SECBINFHSA-N 196.250 1.539 10 10 ADCE COC[C@H](N)c1ccc(S)cc1O 238363957 DPVAODFYUJVOOH-QMMMGPOBSA-N 199.275 1.327 10 10 ADCE C[C@@H](CCN=[N+]=[N-])[C@H]1COC(=O)N1 238437820 PRIZUWVNLWFWDN-NTSWFWBYSA-N 184.199 1.431 10 10 ADCE Cc1c(O)c(O)cc2ccn(C)c12 238535848 PCDHQXKXBKXIEH-UHFFFAOYSA-N 177.203 1.898 10 10 ADCE CC(C)[C@@H](N)[C@H](N)c1ccccc1O 306628952 DCHRFQSPTKGMIJ-GHMZBOCLSA-N 194.278 1.375 10 10 ADCE C/C=C/C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403606143 GLXRNPLJYIVHAK-BYDTYLDUSA-N 194.238 1.864 10 10 ADCE [N-]=[N+]=NC[C@]12CC[C@@H](N)[C@@H]1C2 685946276 HWZIDYGWSFEAGI-RRKCRQDMSA-N 152.201 1.424 10 10 ADCE C[C@H](CF)NCc1cccc(O)c1O 702575921 YUCRDMKLURYXCO-SSDOTTSWSA-N 199.225 1.545 10 10 ADCE C[C@@H]1CNC[C@@H]1CN=[N+]=[N-] 721050117 BJJJCRBNTWLGGL-PHDIDXHHSA-N 140.190 1.152 10 10 ADCE CO[C@@H]1C[C@@H]1CN=[N+]=[N-] 1879973510 KUNQPBYTNSKULQ-RFZPGFLSSA-N 127.147 1.332 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC[C@H](C(C)C)C1 1905639016 UXQXXILIRVRYBM-GXSJLCMTSA-N 198.262 1.332 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCC2(CC2)C1 1929234498 QTMZCVAMBUUNIE-LLVKDONJSA-N 196.246 1.230 10 10 ADCE CC(=O)C(=O)c1ccc2[nH]ccc2c1 1951483069 BGIYOCUYEIABKB-UHFFFAOYSA-N 187.198 1.940 10 10 ADCE CONCc1c(C)cccc1O 1953513962 AIWZHWMAPLVYJM-UHFFFAOYSA-N 167.208 1.352 10 10 ADCE CN[C@H](C)c1cc(O)ccc1O 21966052 KWPGONVIHWQYFL-ZCFIWIBFSA-N 167.208 1.378 10 10 ADCE CC(=O)O[C@H](C)[C@H](C)N=[N+]=[N-] 39235526 GAQFPAIPPQPUDL-CRCLSJGQSA-N 157.173 1.637 10 10 ADCE CC[C@H](C)C(=O)NCCCN=[N+]=[N-] 42012905 RXVXOLHBVZCALO-ZETCQYMHSA-N 184.243 1.849 10 10 ADCE C=CC(=O)NCCc1ccc(N)cc1 63129744 LYGXNAXVSAHXML-UHFFFAOYSA-N 190.246 1.114 10 10 ADCE Cc1ccc(-c2cnc(CN)[nH]2)n1C 74274106 BJOJGIJZJPAKDR-UHFFFAOYSA-N 190.250 1.182 10 10 ADCE C[C@H](CCO)CNc1ccc(N)cc1 85125630 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CCN(CCN=[N+]=[N-])CC(C)(C)CN 1957242475 AQULMUQRTCLAIX-UHFFFAOYSA-N 199.302 1.604 10 10 ADCE CCOC(=O)N1CCC[C@@H]1N=[N+]=[N-] 34172077 WRQKPLVYLWGHLN-ZCFIWIBFSA-N 184.199 1.875 10 10 ADCE Cn1c(CCN)ccc1-c1ccon1 74272701 OBYQFFHVQNSYDK-UHFFFAOYSA-N 191.234 1.181 10 10 ADCE NCc1cc(-n2cccn2)ccc1O 84250372 WBTIBDUEFAYXCQ-UHFFFAOYSA-N 189.218 1.037 10 10 ADCE C[C@@H](N)c1c(O)ccc2c1CCC2 108291687 FWWUQWRBNXVFIP-SSDOTTSWSA-N 177.247 1.901 10 10 ADCE C[C@@]1(O)CCCN(CCCN=[N+]=[N-])C1 157507781 IVOXOIDZRFZMFU-SECBINFHSA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=N[C@H]1CO[C@H]2[C@@H](N=[N+]=[N-])CO[C@@H]12 202214943 VWLQAMUFRAITOR-BXKVDMCESA-N 196.170 1.142 10 10 ADCE CC[C@H](CC(=O)OC)N=[N+]=[N-] 207899218 RTMAYJYSLHYPPE-RXMQYKEDSA-N 157.173 1.638 10 10 ADCE CN1CC[C@H]1CCc1ccc(N)cc1 213490830 MAOWPTOMKDYVRZ-GFCCVEGCSA-N 190.290 1.906 10 10 ADCE CCc1cc(N)c(O)c([C@@H](N)CC)c1 238311754 OHCJFRQYEVCYBN-VIFPVBQESA-N 194.278 1.947 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1CCOCC1 885325419 WJQRUWLRAQBZOT-ZETCQYMHSA-N 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[N-]=[N+]=NC[C@@H]1CCCN1C[C@@H]1CCO1 1885289119 ZZOQWNHCILZRIF-IUCAKERBSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCN(C[C@H]2CCO2)C1 1888422630 KGCRZELJJNYVSH-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@@H](N)C1 1954208493 NXTXSXIMEJTJEJ-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE [N-]=[N+]=N[C@@H]1CCOC2(CCC2)[C@H]1O 1954378911 OUUXZPVOJJIXOQ-RQJHMYQMSA-N 183.211 1.369 10 10 ADCE Nc1ccc(O[C@H]2C=CCOC2)cc1 2241690951 YDQXZOYGITZABL-NSHDSACASA-N 191.230 1.603 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2CCC[C@H]2N1 2242292649 BJRMVRYRFXGCPE-GJMOJQLCSA-N 166.228 1.827 10 10 ADCE Nc1ccc(OCc2ccno2)cc1 38055846 GZZHDSBFDWCBRY-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE [N-]=[N+]=NCCCN1CCOC1=O 42416093 HZUMJJYZFZARNQ-UHFFFAOYSA-N 170.172 1.139 10 10 ADCE CCc1ccc(O)c(CNC)c1 82851558 VCYMYPOLQKFCKM-UHFFFAOYSA-N 165.236 1.674 10 10 ADCE O=Cc1sc(Cl)cc1O 84227655 NBANBNSTHKRIHA-UHFFFAOYSA-N 162.597 1.920 10 10 ADCE Oc1ccc2ccncc2c1O 85948200 FQYXLCBXMPZJGX-UHFFFAOYSA-N 161.160 1.646 10 10 ADCE CON[C@@H](C)c1cc(OC)ccc1O 134238887 WSJLEYIGBBQWKB-ZETCQYMHSA-N 197.234 1.613 10 10 ADCE COc1ccc(O)c(CNO)c1F 214469773 RQNNFXHUIKASOL-UHFFFAOYSA-N 187.170 1.019 10 10 ADCE CON[C@H](C)c1c(O)cccc1O 234748732 UDOXWOLOUQMTKL-ZCFIWIBFSA-N 183.207 1.310 10 10 ADCE COC[C@@H](N)c1cccc(S)c1O 238380995 BIPXTHLKKVZXCT-SSDOTTSWSA-N 199.275 1.327 10 10 ADCE [N-]=[N+]=NC1(O)Nc2ccccc2N1 238653379 HSAXGJDIURYMSZ-UHFFFAOYSA-N 177.167 1.438 10 10 ADCE CCN(CC)N=NN(C)C 256075731 ACWGYOPNCRGEKM-UHFFFAOYSA-N 144.222 1.172 10 10 ADCE CO[C@@]12C[C@H](C)CCC1=C(C)[C@H](O)O2 307703259 VLLRKQRIPBXBIV-AVPPRXQKSA-N 198.262 1.814 10 10 ADCE [N-]=[N+]=NCCN1C2CCC1(CO)CC2 723023603 WLRJXHOOSNKGPZ-UHFFFAOYSA-N 196.254 1.286 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CC[C@@H]1O 1885288791 XUZVDJFGZVLUMB-YIZRAAEISA-N 196.254 1.284 10 10 ADCE CC(C)(N)CCNc1ccc(N)cc1 1888923045 OLOXGFCAROBGKE-UHFFFAOYSA-N 193.294 1.808 10 10 ADCE CCNCCCOc1ccc(N)cc1 1896247278 XCMZIJKFVJZQCY-UHFFFAOYSA-N 194.278 1.647 10 10 ADCE Nc1ccc(N[C@H](CO)C2CC2)cc1 1930722572 YPEPKFACSXKKLY-LLVKDONJSA-N 192.262 1.452 10 10 ADCE CC(=O)C(=O)COc1ccc(F)cc1 1951508445 YBZLRPQBUPLQOM-UHFFFAOYSA-N 196.177 1.363 10 10 ADCE C[C@H]1C[C@@H]1N(CCO)CCCN=[N+]=[N-] 1955054525 CIDRYVMIOCUTMA-IUCAKERBSA-N 198.270 1.390 10 10 ADCE Cc1sc(CN)cc1O 2208913462 JTFUEFUOAIULBX-UHFFFAOYSA-N 143.211 1.221 10 10 ADCE Oc1ccccc1CNCC1CC1 19884743 XGXVBONEYPBEEO-UHFFFAOYSA-N 177.247 1.892 10 10 ADCE CN1Cc2cc(O)c(O)cc2C1 34225562 CDONILBQFJJVFZ-UHFFFAOYSA-N 165.192 1.043 10 10 ADCE [N-]=[N+]=NCc1cccc(C(N)=O)c1 42390376 HFTJXIZORPSUPW-UHFFFAOYSA-N 176.179 1.596 10 10 ADCE [N-]=[N+]=NC1(O)CCCCC1 147611984 RUXXSTVGCSDHQJ-UHFFFAOYSA-N 141.174 1.949 10 10 ADCE CN(C)/N=N/c1nccs1 204923433 HEGKKTSVQAROKG-BQYQJAHWSA-N 156.214 1.703 10 10 ADCE CC/C(=C/c1ccc(O)c(O)c1)CO 212023115 HGVGKZUMBGASPK-YVMONPNESA-N 194.230 1.884 10 10 ADCE CCOc1cccc([C@H](N)CF)c1O 238303347 LSMQDCZYNGNHEI-MRVPVSSYSA-N 199.225 1.760 10 10 ADCE Cc1cc(O)c([C@@H](N)[C@@H](C)O)cc1F 238453660 GFGUONWHLPBQKX-LDWIPMOCSA-N 199.225 1.220 10 10 ADCE Cc1cc(O)c([C@H](N)C2CC2)cc1O 238490164 PIKRMPULWKRCKS-LLVKDONJSA-N 193.246 1.816 10 10 ADCE O=C(O)[C@H]1C[C@H]1c1cccc(O)c1O 238628889 YEYCXMGSCNLTNY-BQBZGAKWSA-N 194.186 1.286 10 10 ADCE CC[C@](C)(N)c1cc(F)cc(N)c1O 306210607 IWTVEGBHMPCBRO-JTQLQIEISA-N 198.241 1.697 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H](C(=O)O)C[C@H]1N=[N+]=[N-] 306334106 RMMXSQMVVVFMAK-ZGQXEFDQSA-N 196.170 1.839 10 10 ADCE CC(C)(C)N=NC(N)=O 334138657 LLTNHOGCJOCRFT-UHFFFAOYSA-N 129.163 1.316 10 10 ADCE COC(=O)/C=C(\C)CN=[N+]=[N-] 383682695 GAJXUFIZPUNIQW-HWKANZROSA-N 155.157 1.416 10 10 ADCE CO[C@H]1CCCN(CCN=[N+]=[N-])CC1 709384896 UUGKEINSYABGAD-VIFPVBQESA-N 198.270 1.798 10 10 ADCE Cc1nn(C)c(C)c1[C@H](CO)N=[N+]=[N-] 1535781296 ZWKVXEQXYIYEFH-ZETCQYMHSA-N 195.226 1.381 10 10 ADCE COc1cc(C[C@H](C)O)cc(O)c1O 1535811791 LUBJCYITVOFIQD-LURJTMIESA-N 198.218 1.030 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@H]1F 1879941692 BTUFRWDRRYOZLT-DMTCNVIQSA-N 115.111 1.655 10 10 ADCE [N-]=[N+]=NCCCn1cc(F)cn1 1881431100 ZXQUUHYFYXCJII-UHFFFAOYSA-N 169.163 1.723 10 10 ADCE C[C@H]1CN(c2ccc(N)cc2)C[C@H]1N 1888915083 NTZOUNJYMOURIZ-GZMMTYOYSA-N 191.278 1.052 10 10 ADCE O=C1CCC2(CCC2)C1=O 1953170575 PJUJTWUUXJYJAV-UHFFFAOYSA-N 138.166 1.089 10 10 ADCE [N-]=[N+]=NCCN1Cc2conc2C1 1954473142 OQHURJSMTFEQHN-UHFFFAOYSA-N 179.183 1.301 10 10 ADCE CCc1ccc(N)c(O)c1O 2055136614 OFXQHJCDEWIXSL-UHFFFAOYSA-N 153.181 1.242 10 10 ADCE Oc1ccccc1[C@@H]1CCOCCN1 82892706 NYHWOKZLXVCDFI-JTQLQIEISA-N 193.246 1.443 10 10 ADCE Cc1ccc([C@H]2CNC(=O)N2)c(O)c1 95689485 IFYHURDLDHJDAL-MRVPVSSYSA-N 192.218 1.055 10 10 ADCE CN[C@@H](C)c1c(O)cc(O)cc1O 211786238 VCTCPXAEGJSAAN-YFKPBYRVSA-N 183.207 1.084 10 10 ADCE CN1CC[C@@H](Cc2ccc(N)cc2)C1 213490145 SPDVIODBGJKCKY-NSHDSACASA-N 190.290 1.763 10 10 ADCE ONCc1ccc2ocnc2c1O 214232364 NGRJLGFPGWZTGL-UHFFFAOYSA-N 180.163 1.012 10 10 ADCE COc1cc(O)c([C@@H](C)N)c(F)c1 214406695 ALTUXPRPZYUSMT-RXMQYKEDSA-N 185.198 1.560 10 10 ADCE CC(C)(N)c1cc(F)cc(N)c1O 238150185 QGBZQJRRBSCELV-UHFFFAOYSA-N 184.214 1.307 10 10 ADCE CNC(=S)c1ccc2ccccn12 238305594 MDNQGSQXOCWFFV-UHFFFAOYSA-N 190.271 1.834 10 10 ADCE CN(C)c1cc2c(cc1C=O)OCO2 238325522 QUKZDBOCBVRXQS-UHFFFAOYSA-N 193.202 1.294 10 10 ADCE [N-]=[N+]=NCCCC1=NNC(=O)CC1 238651189 LUHPLIWUADPAOZ-UHFFFAOYSA-N 181.199 1.343 10 10 ADCE [N-]=[N+]=N[C@H](CO)Cc1ccc(O)cc1 238702905 WWCGPZZFXQXONV-QMMMGPOBSA-N 193.206 1.606 10 10 ADCE CC(C)(O)CCNc1ccc(N)cc1 307576201 MIOWTXQDIKQJCL-UHFFFAOYSA-N 194.278 1.842 10 10 ADCE COc1cccc(O)c1CNC(C)C 308633509 AAZPBYXWUOMSGW-UHFFFAOYSA-N 195.262 1.899 10 10 ADCE C[C@@H]1CC[C@H](N=[N+]=[N-])C[C@@H]1O 1880180677 GWHATDLBIHCBRA-VQVTYTSYSA-N 155.201 1.846 10 10 ADCE C[C@H]1C[C@]1(F)CN(C)CCN=[N+]=[N-] 1884225258 RVKVEAMODYESML-YUMQZZPRSA-N 186.234 1.977 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1[C@H](CO)C2 1935288954 OWTQDBRKZLEWFS-XHNCKOQMSA-N 196.254 1.142 10 10 ADCE Cc1ccc([C@@H](N)C(C)(C)O)c(O)c1 1951476489 IMNLMUIJPAHWJO-SNVBAGLBSA-N 195.262 1.471 10 10 ADCE 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COC(=O)[C@@H](N=[N+]=[N-])C(C)C 199618731 WMTCNESCVXRQFL-YFKPBYRVSA-N 157.173 1.494 10 10 ADCE NC1(c2cc(F)c(F)cc2O)CC1 214397816 GOLJTAKSQCHJKL-UHFFFAOYSA-N 185.173 1.618 10 10 ADCE CC[C@@H](C)O[C@H](O)CN=[N+]=[N-] 238261026 KWNNUHDNDCKFFF-RITPCOANSA-N 159.189 1.430 10 10 ADCE C[C@H]1CNc2cc(CN)ccc2N1C 258395142 BLBLOIQAPGJVSK-QMMMGPOBSA-N 191.278 1.396 10 10 ADCE COC(=O)/C(=C/c1ccn[nH]1)N=[N+]=[N-] 308385203 HBCIIGWSQZRMMF-XQRVVYSFSA-N 193.166 1.234 10 10 ADCE O=C1N[C@@H]2c3occc3C[C@@H]2/C1=C\O 308623281 HNUHXEBIXDBIRX-CSFIIIEKSA-N 191.186 1.065 10 10 ADCE CC1(C)C[C@@]1(N)c1ccc(O)cc1O 1535738174 YJILNJBAMZCBBD-LLVKDONJSA-N 193.246 1.682 10 10 ADCE COC(=O)[C@@H](N=[N+]=[N-])C1(OC)CCC1 1775958593 LTTHMDMWCQNHPY-ZCFIWIBFSA-N 199.210 1.407 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C1CC2(CC2)C1 1881561726 BSHLKIKVDCOTLJ-SSDOTTSWSA-N 167.212 1.848 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1CCOC1 1888590277 ONVQKGMNACDJEJ-SECBINFHSA-N 198.270 1.655 10 10 ADCE CC[C@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1912179099 RLFZKPKMIKXPDY-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NCCN1C(=O)CC12CCC2 1954382297 LQSYIDJTWXUVKH-UHFFFAOYSA-N 180.211 1.452 10 10 ADCE C[C@@H]1C[C@H](O)CCN(CCN=[N+]=[N-])C1 1955411699 RORIHOMMGDUMAF-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE C[C@H]1[C@@H](C)[C@@H]1C(=O)N(C)CCN=[N+]=[N-] 1955681127 ZPDYAUKJQHACIB-JIGDXULJSA-N 196.254 1.657 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])CCN1 1957246870 HVDXLHLZBIURBH-VIFPVBQESA-N 197.286 1.371 10 10 ADCE NC(CF)(CF)c1ccccc1O 2242421490 BMYPEBUHFCCPFN-UHFFFAOYSA-N 187.189 1.485 10 10 ADCE C=C(C(=O)O)c1ccc(N(C)C)cc1 41669312 UEUJIFWALIKBCL-UHFFFAOYSA-N 191.230 1.850 10 10 ADCE C=Cc1ccc(O)c([C@@H](N)CO)c1 72197403 NFHGHGGUCZWNCM-VIFPVBQESA-N 179.219 1.027 10 10 ADCE Cc1cc2ccc(O)c(CN)c2o1 82869431 NMPZDEAYHJMPKI-UHFFFAOYSA-N 177.203 1.906 10 10 ADCE Cc1cncn1Cc1ccc(N)cc1 126448016 ZOJPEWYTSYERHF-UHFFFAOYSA-N 187.246 1.822 10 10 ADCE C[C@@H]1CC(=O)C(=O)c2ccccc21 134041471 NYKNJXGJCSHSRB-SSDOTTSWSA-N 174.199 1.946 10 10 ADCE CCOC[C@H](N=[N+]=[N-])C(=O)OCC 197013621 HPZRUSRHSUPWFZ-LURJTMIESA-N 187.199 1.265 10 10 ADCE CC(=O)c1cc(Cl)cc(O)c1O 200458251 WSWUMNZAZBLMNM-UHFFFAOYSA-N 186.594 1.954 10 10 ADCE CC1(C)NCc2c(O)cccc21 219367076 ZIKKLHBLZXQUMO-UHFFFAOYSA-N 163.220 1.731 10 10 ADCE CCOc1cccc([C@@H](N)CF)c1O 238302811 LSMQDCZYNGNHEI-QMMMGPOBSA-N 199.225 1.760 10 10 ADCE COC[C@@H](N)c1c(C)cc(C)cc1O 238375019 IICMHEKMAOZKFD-SECBINFHSA-N 195.262 1.655 10 10 ADCE NC(=O)/N=N/c1ccccc1F 238575453 YUKYFVQDMNGVSC-ZHACJKMWSA-N 167.143 1.988 10 10 ADCE [N-]=[N+]=N[C@]1(C(=O)O)CCCC[C@H]1O 238718228 FQERWYZKODQVLG-IYSWYEEDSA-N 185.183 1.055 10 10 ADCE NCc1c(O)c(Cl)cc(F)c1F 258186990 XBQBOTOWJKGCPV-UHFFFAOYSA-N 193.580 1.783 10 10 ADCE NCC/C=C1/CCn2ccnc21 306218837 SGIWHOSWVWCZPD-WAPJZHGLSA-N 163.224 1.019 10 10 ADCE NC/C=C\c1ccc(F)c(O)c1O 687680176 YQBJCEBNSSDXOC-UPHRSURJSA-N 183.182 1.209 10 10 ADCE Cn1ccc2c([C@@H](O)CN)cccc21 1535795608 CEQTUFPDDHINRQ-NSHDSACASA-N 190.246 1.170 10 10 ADCE C[C@H]1C[C@@H]1C(=O)N(C)CCN=[N+]=[N-] 1883866842 MOXGHCYNKLLNKP-BQBZGAKWSA-N 182.227 1.411 10 10 ADCE COCCC1CN(CCN=[N+]=[N-])C1 1912148029 OFJKBIFBJYLFRI-UHFFFAOYSA-N 184.243 1.265 10 10 ADCE CCC(CC)C[C@@H](O)C(=O)C(C)=O 1926184711 IXIZRAXPKDHNIH-SECBINFHSA-N 186.251 1.332 10 10 ADCE CCN(C)c1ccc(CN)cc1 37078071 LKTLWWLRYWNCAX-UHFFFAOYSA-N 164.252 1.601 10 10 ADCE CC(C)NC(=O)NCCCN=[N+]=[N-] 42013191 YSFQGOQFLYSGND-UHFFFAOYSA-N 185.231 1.394 10 10 ADCE CCNc1ccc(O)c(O)c1O 71452013 LBGDZHADAMCVSD-UHFFFAOYSA-N 169.180 1.235 10 10 ADCE C[C@H]1COC[C@@H](c2ccccc2O)N1 108302913 VLQZTKKHVZBEBS-WPRPVWTQSA-N 193.246 1.442 10 10 ADCE Oc1ccccc1C=S 113681716 NTJTUMLSEVWWTI-UHFFFAOYSA-N 138.191 1.740 10 10 ADCE CC/C(=C\O)C(=O)OC 114089772 YMJZVGBJAPAZLN-SNAWJCMRSA-N 130.143 1.011 10 10 ADCE C[C@@H]1CC[C@@H](C)C(=O)C1=O 136601557 SBVWCXSMRFJXIX-PHDIDXHHSA-N 140.182 1.191 10 10 ADCE C[C@H]1CC[C@H](C)N1C[C@@H](O)CN=[N+]=[N-] 203326033 IFSVXRQNWRSZBB-CIUDSAMLSA-N 198.270 1.530 10 10 ADCE C[C@H](N)c1ccc(F)c(C(=O)O)c1O 211732758 FUNYFMHQTUJNEQ-BYPYZUCNSA-N 199.181 1.249 10 10 ADCE [N-]=[N+]=NC[C@H](N)c1ccccc1 211955949 KRRWAASSBQOAHT-QMMMGPOBSA-N 162.196 1.997 10 10 ADCE C[C@@H](c1c(O)cccc1O)N(C)C 235494219 GRNVNXJFJVEKBD-ZETCQYMHSA-N 181.235 1.720 10 10 ADCE CC1(C)CCNC(=O)[C@H](N=[N+]=[N-])C1 238219986 CDFYHQJKSSAPCQ-ZCFIWIBFSA-N 182.227 1.602 10 10 ADCE CSc1cccc(O)c1[C@H](N)CO 258111031 LLMWAVRYJRJBKX-ZCFIWIBFSA-N 199.275 1.106 10 10 ADCE Cc1ccc([C@@H](C)NC(=N)N)c(O)c1 306617092 QRJZECAJXOWKMR-SSDOTTSWSA-N 193.250 1.245 10 10 ADCE CC(=O)O[C@@H]1C[C@H]2C=C[C@H]1[C@@H]2N=[N+]=[N-] 307264345 BSOSJIYUAKFSCG-FNCVBFRFSA-N 193.206 1.803 10 10 ADCE CN(C)N=Nc1ccc(N)cc1 307866723 OAWOFWQMFFVNDP-UHFFFAOYSA-N 164.212 1.829 10 10 ADCE C[C@H](O)/C=C/CN=[N+]=[N-] 687756408 WNFLKTLHFZBXAS-HRJJCQLASA-N 127.147 1.234 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC12CC2 707864645 XAYCNBZXYKHVPO-LURJTMIESA-N 180.211 1.213 10 10 ADCE OC1CN(c2ccc3c(c2)CCC3)C1 1149532340 OOLWPOYCDXJQKN-UHFFFAOYSA-N 189.258 1.356 10 10 ADCE C[C@H]1NC[C@H]1Oc1ccc(N)cc1 1218383062 MHHOHHGJPZQDTN-GMSGAONNSA-N 178.235 1.008 10 10 ADCE Nc1ccccc1N[C@H]1CCC[C@@H]1N 1888906042 XPVJMSPBIDCRNO-ONGXEEELSA-N 191.278 1.561 10 10 ADCE CC(C)[C@@H](CN)Oc1ccc(N)cc1 1896268230 DEEVQJLAJBPESU-LLVKDONJSA-N 194.278 1.631 10 10 ADCE CN(CCCN=[N+]=[N-])Cc1cocn1 1912176290 XFSITWHNGSVBHP-UHFFFAOYSA-N 195.226 1.807 10 10 ADCE CCC[C@H](NN)c1ccccc1O 1928481067 QUJMJFFIKSDLTD-VIFPVBQESA-N 180.251 1.697 10 10 ADCE N#CN1CCC[C@@H](N=[N+]=[N-])CC1 1934375974 GPPSZRKEIZJIBF-SSDOTTSWSA-N 165.200 1.632 10 10 ADCE C[C@H]1[C@@H](C)[C@@H]1CN1CC(N=[N+]=[N-])C1 1954594516 RJWHQCRTDWLOFZ-QMSLJYSESA-N 180.255 1.883 10 10 ADCE CCC(=O)C(=O)c1cccs1 58518222 OLMMKNCWRUILSJ-UHFFFAOYSA-N 168.217 1.910 10 10 ADCE [N-]=[N+]=N[C@@H](O)C(=O)c1ccccc1 224386611 LPSOYPYPTNOCTI-QMMMGPOBSA-N 177.163 1.498 10 10 ADCE CC(C)[C@](C)(O)CN=[N+]=[N-] 229365138 YWVFTOHRUSESQO-ZCFIWIBFSA-N 143.190 1.704 10 10 ADCE Cc1cc(O)c(O)c(Cl)c1N 238471365 OFSBELOHISTABN-UHFFFAOYSA-N 173.599 1.642 10 10 ADCE Nc1ccc(O)c2cc(O)c(O)cc12 238606362 UXHNUKJXAVISSB-UHFFFAOYSA-N 191.186 1.539 10 10 ADCE COc1cc(C)c(CNO)c(O)c1C 257979200 DNNDONPXZREUMF-UHFFFAOYSA-N 197.234 1.496 10 10 ADCE Cc1c(CCCN)cc(O)c(O)c1C 258098468 OOQYOFOXFAXDSP-UHFFFAOYSA-N 195.262 1.606 10 10 ADCE Nc1cccc2c(O)c(CO)sc12 306873710 YEYOIAMNAZQSLQ-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@H]1CCC[C@H]1O 708216265 OGBKBEJMDCXMQA-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE CO[C@@H]1CC[C@@H]1N(C)CCCN=[N+]=[N-] 724140551 PEZUJJTXDOEFCQ-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE Nc1ccc(OC[C@H]2C[C@@H](O)C2)cc1 1218431881 OTRXGUPFJLYXSN-WAAGHKOSSA-N 193.246 1.419 10 10 ADCE Cn1ccc2c(CC(=N)N)cccc21 1535790502 MTYDLGNZODBQFC-UHFFFAOYSA-N 187.246 1.657 10 10 ADCE CC(C)(O)Cc1ccc(O)c(O)c1 1535861372 XMLIXUGMCRHKMV-UHFFFAOYSA-N 182.219 1.411 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@]12CCOC2 1880144882 ALXSKHZYJOFLHU-BQBZGAKWSA-N 153.185 1.723 10 10 ADCE CC(C)(O)CN1CCC[C@H]1CN=[N+]=[N-] 1885288984 ZBXXWBFLSVAUFR-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE NC[C@H](Nc1ccccc1N)C1CC1 1888904565 CAJJLPAEMYFUEL-NSHDSACASA-N 191.278 1.418 10 10 ADCE C[C@@H]1CCO[C@H]1CN=[N+]=[N-] 1912169928 QLCBMHIYSWAPMI-RITPCOANSA-N 141.174 1.722 10 10 ADCE [N-]=[N+]=NC1CN(CC2(O)CCCC2)C1 1912178283 LOTIGCJUOITPND-UHFFFAOYSA-N 196.254 1.286 10 10 ADCE CCN(C)CCN1CC[C@@H](N=[N+]=[N-])C1 1912195026 CVXOBABQBURKOZ-SECBINFHSA-N 197.286 1.323 10 10 ADCE Cc1ccnc(O)c1CCN=[N+]=[N-] 1951536372 QHTVAWJMZLZOFA-UHFFFAOYSA-N 178.195 1.948 10 10 ADCE CNC[C@H]1C[C@H]1c1cccc(O)c1O 1951841670 CLFGUHLTTIHZOY-VXNVDRBHSA-N 193.246 1.421 10 10 ADCE O=C1CCN[C@H]1c1cc(F)ccc1O 1951870447 GPYYSLHLKHVWEI-JTQLQIEISA-N 195.193 1.135 10 10 ADCE [N-]=[N+]=N[C@@H](CN)c1cccnc1 1953712369 DTPGVOZTBIIXAA-ZETCQYMHSA-N 163.184 1.392 10 10 ADCE CC(=O)C(=O)C1(O)[C@H]2CCC[C@H]1CC2 1955461103 MPDJOZJZWMSRBD-IUCAKERBSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=NCCCN1CC2CC1(CN)C2 1957249629 LVBODLIXXRGQNS-UHFFFAOYSA-N 195.270 1.110 10 10 ADCE [N-]=[N+]=N[C@H](c1ccccc1)[C@H](O)CO 34239442 XJPAJRFRXZRWRD-RKDXNWHRSA-N 193.206 1.391 10 10 ADCE CC(C)(C)C(=O)NCCCN=[N+]=[N-] 42012841 KPTVVLPEFFRDJF-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE Oc1ccc([C@@H]2CCCCN2)cc1O 82892680 ANWYHRFNIFSCKF-VIFPVBQESA-N 193.246 1.912 10 10 ADCE Cc1ccc([C@@H](N)CCO)c(O)c1C 95770525 BFYRFSJLKULPTJ-JTQLQIEISA-N 195.262 1.391 10 10 ADCE Oc1ccc([C@H]2CCN2)c(O)c1 95783996 NSYWAHJMWTVGCE-MRVPVSSYSA-N 165.192 1.132 10 10 ADCE C[C@@H](N)c1ccc(C(=O)O)cc1O 104528438 CREVTCXPLSAFMM-RXMQYKEDSA-N 181.191 1.110 10 10 ADCE C[C@@H]1CCc2cccc(O)c2CN1 219503347 LLKCCJOXOMICMK-MRVPVSSYSA-N 177.247 1.817 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC2(C1)OCCO2 220181693 GCEFJFDDWAODMX-SSDOTTSWSA-N 183.211 1.982 10 10 ADCE CC1(C)CC(=O)C(=O)[C@@H]2C[C@@H]21 238198837 MXWOTXKUMPAXSZ-RITPCOANSA-N 152.193 1.191 10 10 ADCE O=C1CCCCCCCC[C@@H](O)C1=O 238714827 ZQQFSFPXPQICEI-SECBINFHSA-N 198.262 1.620 10 10 ADCE CCOc1ccc(CNCN)cc1C 258961429 VYYHNNIBAADJMO-UHFFFAOYSA-N 194.278 1.400 10 10 ADCE CN(Cc1ccccc1O)[S@](C)=O 307219581 HDFQGGMZVCHAMF-ZDUSSCGKSA-N 199.275 1.118 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])CC[C@@H](C)O1 694895566 ZSDFFXOLOXZOLF-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1CCC[C@H]1O 708216259 OGBKBEJMDCXMQA-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CC[C@H](N)C(=O)[C-]1C(C)=C=S=C1C 885870919 PKIUJHSKUSVPFT-QMMMGPOBSA-N 196.295 1.154 10 10 ADCE Cc1cn(C)nc1CCN=[N+]=[N-] 1535670864 WZISIHRMCHUYAV-UHFFFAOYSA-N 165.200 1.581 10 10 ADCE CN1C[C@@H]2C[C@H]1CN2CCCN=[N+]=[N-] 1887153757 BLLNBOOWFCOMCW-IUCAKERBSA-N 195.270 1.075 10 10 ADCE C[C@@H]1NCC[C@@H]1Nc1ccccc1N 1888915017 MELYDJVXPLOKLI-WPRPVWTQSA-N 191.278 1.431 10 10 ADCE [N-]=[N+]=NCCCCN1CCC1=O 1912159700 LJJBQYFGRDYWER-UHFFFAOYSA-N 168.200 1.309 10 10 ADCE CCC[C@@]1(C)CO[C@H](CN=[N+]=[N-])N1 1912168445 DLSUSIPVUIWQDS-SFYZADRCSA-N 184.243 1.801 10 10 ADCE C[C@@H]([C@@H](C)O)N1CCC(N=[N+]=[N-])CC1 1912193155 MJOVEPDYFOUHAM-JGVFFNPUSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CC2CC2)C1 1912205458 FZOZCMHXHQOQKZ-MRVPVSSYSA-N 194.238 1.698 10 10 ADCE CC(C)C[C@@H](NN)c1ccccc1O 1928481593 XRTVVEMTDXOHGY-SNVBAGLBSA-N 194.278 1.943 10 10 ADCE Nc1ccc(OCc2cocn2)cc1 1933273362 KMHAJLHIQFXKPY-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE COC[C@@](C)(N)c1cc(F)ccc1O 1951658667 CNWUMWWIPUNIAF-SNVBAGLBSA-N 199.225 1.352 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H]1CC12CCC2 2241552604 RBQVKRCWBDSROD-BQBZGAKWSA-N 167.212 1.848 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])CCCO1 61932333 FHCQEOCVRNZLHL-SECBINFHSA-N 198.270 1.798 10 10 ADCE Oc1ccc([C@H]2NCCS2)cc1O 87602296 JGMIDXXKFJSVGH-VIFPVBQESA-N 197.259 1.433 10 10 ADCE COc1cc(C)cc([C@@H]2CCN2)c1O 104460998 RBGNXCIERGRVFG-VIFPVBQESA-N 193.246 1.744 10 10 ADCE [N-]=[N+]=NC[C@H]1CCO1 147352101 NTZXBJJNAKCVQO-SCSAIBSYSA-N 113.120 1.086 10 10 ADCE O=C(O)C(=S)COc1ccccc1 148115118 VWQKXKNPTHZDDS-UHFFFAOYSA-N 196.227 1.520 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCCCN1 165899570 LTMAWELWFJPJTF-ZETCQYMHSA-N 154.217 1.829 10 10 ADCE C[C@@H]1C[C@@H](N=[N+]=[N-])C(=O)O1 196929331 WPMFIJUWEZFEIQ-QWWZWVQMSA-N 141.130 1.001 10 10 ADCE CC1(C)[C@H]2COC(=O)/C(=C/O)[C@@H]21 210581409 SMBCTICYQRFHME-LFROJCBFSA-N 168.192 1.257 10 10 ADCE COC/C=C\c1ccc(O)c(O)c1 212232703 QRYSMWVPJDAMGZ-IHWYPQMZSA-N 180.203 1.757 10 10 ADCE CN1CCCc2c1ccc(CN)c2O 213638006 NKADRYAVWLVELS-UHFFFAOYSA-N 192.262 1.233 10 10 ADCE COc1cc(C)cc(C2(N)CC2)c1O 214728488 RGKXQINHBPUIEL-UHFFFAOYSA-N 193.246 1.657 10 10 ADCE CC[C@@H]1C[C@H](CN=[N+]=[N-])OC1=O 238282746 YEHTVBDJHTYIPP-PHDIDXHHSA-N 169.184 1.638 10 10 ADCE CCc1cc(O)c(O)c([C@H](C)N)c1 238335561 NHTAUMTZRLXROX-LURJTMIESA-N 181.235 1.680 10 10 ADCE Oc1nc(O)c(C(F)F)cc1F 238698553 ZIUXJUKBKHNHIS-UHFFFAOYSA-N 179.097 1.570 10 10 ADCE Cc1ccc([C@@H]2CCN2)c(O)c1F 307542249 PTMCSPOBGGYTKX-QMMMGPOBSA-N 181.210 1.874 10 10 ADCE CC[C@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 387543174 GVOUQVVOMOCWSN-NKWVEPMBSA-N 182.227 1.459 10 10 ADCE CC[C@]1(CN=[N+]=[N-])CCNC1=O 521401239 VWOHHNCCMNPDQW-SSDOTTSWSA-N 168.200 1.213 10 10 ADCE CC(C)n1nnnc1CN=[N+]=[N-] 698479160 PTWFLYJZTTUEQD-UHFFFAOYSA-N 167.176 1.064 10 10 ADCE CO[C@H]1CC[C@@H]1Nc1ccc(N)cc1 724184454 ISKLTTAYIAFNMA-QWRGUYRKSA-N 192.262 1.858 10 10 ADCE CC(C)[C@@H]1CO[C@H](CN=[N+]=[N-])N1 885318718 BWEIZPSQPQCLTO-NKWVEPMBSA-N 170.216 1.267 10 10 ADCE C[C@@H](C[C@@H](C)O)N(C)CCN=[N+]=[N-] 1934013347 NJPVCZQJSDTKMD-JGVFFNPUSA-N 186.259 1.388 10 10 ADCE CCSc1ncc(CNC)s1 1934275999 HQZJRPMZQBRYKC-UHFFFAOYSA-N 188.321 1.975 10 10 ADCE Cc1cccc(CN(C)O)c1O 1951352075 PZCPXJGLWOLOTE-UHFFFAOYSA-N 167.208 1.522 10 10 ADCE CC(=O)C[C@@]1(O)CCC[C@@H]1N=[N+]=[N-] 36477247 KOMQTCKWJSICLB-YUMQZZPRSA-N 183.211 1.559 10 10 ADCE Cc1noc(-c2sccc2O)n1 111602028 MAIRXVIFSBPBSN-UHFFFAOYSA-N 182.204 1.812 10 10 ADCE CCOC/C(=C/O)C(=O)OCC 143901329 BXNRBCOHTFBBAZ-ALCCZGGFSA-N 174.196 1.028 10 10 ADCE C[C@H]1NCc2cccc(N)c2N[C@@H]1C 143973405 HBCQOPCEEZENQF-HTQZYQBOSA-N 191.278 1.561 10 10 ADCE C[C@@H](CCN=[N+]=[N-])C(=O)O 196819820 AYHDMQBVNICUIY-BYPYZUCNSA-N 143.146 1.408 10 10 ADCE Cc1ccc(C)n1-c1cnns1 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196.225 1.418 10 10 ADCE CNCCC=Cc1nc(C)c(C)n1C 1905543778 KHSWQUQFKAKYIN-UHFFFAOYSA-N 193.294 1.660 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(Cc2ncc[nH]2)C1 1912166404 WYBQTKZXSVGPAR-ZETCQYMHSA-N 192.226 1.294 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@H]1F 1912174133 VJYODWCCUSVXAG-HTQZYQBOSA-N 186.234 1.977 10 10 ADCE CC1(C)CCN(CCN=[N+]=[N-])CCO1 1912199022 NGWVLDRLGJCSGB-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE COCC[C@H](N)c1cc(O)ccc1O 1951593660 VVLWLJJPEYDDPF-VIFPVBQESA-N 197.234 1.134 10 10 ADCE CC(=O)[C@H](N)c1c(O)cccc1Cl 1952080589 BPZVJVOIDFJRDZ-VIFPVBQESA-N 199.637 1.634 10 10 ADCE C[C@]1(c2ccc(O)cc2O)CCN1 1952213513 KGTKPYQIJRTUNB-SNVBAGLBSA-N 179.219 1.306 10 10 ADCE OC[C@]1(F)C[C@H]1c1ccc(O)c(O)c1 1952388837 FXRQWFWZMFVFKU-OIBJUYFYSA-N 198.193 1.286 10 10 ADCE CN[C@H](CF)c1c(O)cccc1OC 1952551008 UGCVEWWOSNFXGY-SSDOTTSWSA-N 199.225 1.631 10 10 ADCE CN[C@H](CF)c1ccc(F)cc1O 1952587352 UDMXJTIZCPBWGF-MRVPVSSYSA-N 187.189 1.761 10 10 ADCE C[C@@H]1C[C@H](O)C[C@@H](N=[N+]=[N-])C1 1953360486 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UTKYNCZTEHMKQQ-NTSWFWBYSA-N 198.226 1.820 10 10 ADCE COCN(C)c1ccc2c(c1)OCO2 259077038 MJKQBYSRFCVVFN-UHFFFAOYSA-N 195.218 1.455 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCC[C@]12CCOC2 757214465 YBMMZPIELSTBFN-YUMQZZPRSA-N 183.211 1.492 10 10 ADCE Cc1nccnc1CCN=[N+]=[N-] 1535686125 JOJVUFBEYHWJSO-UHFFFAOYSA-N 163.184 1.638 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(O)cc1O 1535736748 KYMIIOSFLOHTQV-ZETCQYMHSA-N 195.178 1.442 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H]1CF 1880839772 DMBCUMLESXDDAX-ZETCQYMHSA-N 172.207 1.731 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2F)C1 1884717288 FPLZVDQVAQNQEQ-DSYKOEDSSA-N 198.201 1.256 10 10 ADCE Cc1ccc(CN[C@@H]2C[C@H]2F)c(O)c1 1904107865 LDSJBAUIBDQDMM-NXEZZACHSA-N 195.237 1.901 10 10 ADCE CNCCC=Cc1nccn1C 1911554668 PVUSAJGMYNCDKT-UHFFFAOYSA-N 165.240 1.043 10 10 ADCE CC(C)(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912159501 IPXMNNLHBOJKFO-SSDOTTSWSA-N 196.254 1.944 10 10 ADCE [N-]=[N+]=NCCN1CCS[C@@H]2CC[C@H]21 1912162415 VSPVGCAUMWOMFL-HTQZYQBOSA-N 198.295 1.877 10 10 ADCE C[C@]12CCC[C@@H]1C(=O)N2CCN=[N+]=[N-] 1912199273 QJKKRWKJIYWELV-APPZFPTMSA-N 194.238 1.698 10 10 ADCE Cc1ccc([C@]2(C)CC(=O)N2)c(O)c1 1951856482 PWZWBFXVHAZPFA-NSHDSACASA-N 191.230 1.436 10 10 ADCE Nc1cc(O)c(O)cc1C(F)(F)F 2055142157 VIRJXXKWCHTUMO-UHFFFAOYSA-N 193.124 1.699 10 10 ADCE C[C@H]1COC(=O)N1c1ccc(N)cc1 71483209 RERUGVFVUFCQKF-ZETCQYMHSA-N 192.218 1.614 10 10 ADCE O=C(O)COC1=CC=CCC1=S 116124186 CXOUIQPCXQALSK-UHFFFAOYSA-N 184.216 1.301 10 10 ADCE [N-]=[N+]=NCC(=O)[C@H]1CCC[C@@H](O)C1 143181840 MDFMNPBOVJONFF-NKWVEPMBSA-N 183.211 1.417 10 10 ADCE CCc1cc(C2(N)CC2)c(O)cc1O 214730549 YJSGTBMJVFTKSV-UHFFFAOYSA-N 193.246 1.608 10 10 ADCE CC(C)(N)c1cc(CCO)ccc1O 238148207 KGTRNNXUHJYRIH-UHFFFAOYSA-N 195.262 1.121 10 10 ADCE CC(C)(O)c1cc(O)c(O)c(F)c1 258019142 IAQFETWPXRBBIU-UHFFFAOYSA-N 186.182 1.464 10 10 ADCE C[C@@]1(c2ccccc2O)NCC[C@H]1F 258139984 QYOCGJUZCCZMLW-MNOVXSKESA-N 195.237 1.939 10 10 ADCE CC(C)(C)C1=C(O)N=C(N=N)NN1 306495673 QLVINLWKEHZEQC-UHFFFAOYSA-N 183.215 1.254 10 10 ADCE C[C@@H](Nc1ccc(N)cc1)C(C)(C)O 307339527 TYSVUBPZBHHOCR-MRVPVSSYSA-N 194.278 1.840 10 10 ADCE Nc1ccc(CCNCCCF)cc1 308556484 SNKMDWXGUHODGT-UHFFFAOYSA-N 196.269 1.761 10 10 ADCE CCn1ccnc1/C=C(\C)C1CNC1 686267102 ZAURCEVKTFBNFX-RMKNXTFCSA-N 191.278 1.526 10 10 ADCE CCCN(CN=[N+]=[N-])[N+](=O)[O-] 687748545 YXNBUDWJYSVVLG-UHFFFAOYSA-N 159.149 1.158 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1[C@H]1CC[C@H]1O 1885288787 XUZVDJFGZVLUMB-HRDYMLBCSA-N 196.254 1.284 10 10 ADCE CC(C)(CN)CNc1ccc(N)cc1 1888898183 DGMLNIGDLCZCRU-UHFFFAOYSA-N 193.294 1.666 10 10 ADCE CC1(C)C[C@@H](O)CN1CCN=[N+]=[N-] 1934006907 HVADARVTPXMOLR-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE Nc1ccc(N[C@H]2C[C@H](O)C2)cc1 1954390507 NTUQVBCNCMEJNQ-MGCOHNPYSA-N 178.235 1.204 10 10 ADCE CN(CCN=[N+]=[N-])C1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 1955005082 NBHWXBFPMUCHGL-FNCVBFRFSA-N 192.266 1.883 10 10 ADCE CCN(C)C1CN(CCCN=[N+]=[N-])C1 1956719049 DGJMTSHNVWIGQS-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE CCOc1ccc(O)c(O)c1[N+](=O)[O-] 2054936911 UNZORMFVROIOHF-UHFFFAOYSA-N 199.162 1.405 10 10 ADCE O=C1CCOc2cc(O)c(O)cc21 13459161 HNDQGSFKMIIAHJ-UHFFFAOYSA-N 180.159 1.063 10 10 ADCE C[C@H]1COCCN1CCN=[N+]=[N-] 42415932 AUQBFUGQCSRXHW-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE C[C@H](N)c1cc(F)cc(N)c1O 95706973 VWTGJONALYTVJC-BYPYZUCNSA-N 170.187 1.133 10 10 ADCE CCCCNC(=O)[C@@H](C)N=[N+]=[N-] 104701731 MDQDVLUORCNOMU-ZCFIWIBFSA-N 170.216 1.602 10 10 ADCE C[C@H](CCN)Cc1ccc(N)cc1 107534663 FQNXSNLNHGHMSV-SECBINFHSA-N 178.279 1.796 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])CCS1 123677522 BLOQVWGQZDOCIE-SSDOTTSWSA-N 186.284 1.734 10 10 ADCE COC(=O)[C@H](CC(C)C)N=[N+]=[N-] 196792806 NSSVHBPPJAHSMD-LURJTMIESA-N 171.200 1.884 10 10 ADCE O=C1C(=O)[C@@H]2C[C@H]1[C@H]1CCC[C@H]12 199336821 SGGDDWDZJCCJBJ-KVFPUHGPSA-N 164.204 1.191 10 10 ADCE CC(C)C[C@H](N)CN=[N+]=[N-] 200663367 COJPNXMWKVADPR-LURJTMIESA-N 142.206 1.670 10 10 ADCE CCOC(=O)[C@]1(N=[N+]=[N-])CCN=N1 238287454 SKKOIPYWRMWXBF-ZCFIWIBFSA-N 183.171 1.412 10 10 ADCE C/C(N=[N+]=[N-])=C(\C)C(=O)O 306168667 FIQHEQLLSYONBC-ARJAWSKDSA-N 141.130 1.675 10 10 ADCE O=C1NC(=S)S/C1=C/Cl 306184976 QNOXQNPMQYGNJX-OWOJBTEDSA-N 179.653 1.215 10 10 ADCE N[C@H](CCF)c1ccccc1O 575439448 MCDUAVCMYWDWPL-MRVPVSSYSA-N 169.199 1.752 10 10 ADCE C[C@H]1C[C@H](C)/C(=C/O)C(=O)O1 694775481 UCHNQCZZNJNGLD-QXWABWMVSA-N 156.181 1.400 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1C[C@@H]1C1CC1 699092489 FMVQZKZFKGMHCE-HTQZYQBOSA-N 194.238 1.459 10 10 ADCE [N-]=[N+]=NC[C@H]1OCCC12CCOCC2 757211823 OMKYQQSCKSNJQO-MRVPVSSYSA-N 197.238 1.882 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@]12CCC[C@H]1OCC2 1535749180 HUBHCMDZZDYGSU-IWSPIJDZSA-N 197.238 1.617 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H]1C1CCC1 1889013253 MQPRXXAWVIARMI-ONGXEEELSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@]12CCC[C@@H]1C2 1893742759 DVWSUBAVHYGLFS-GJMOJQLCSA-N 167.212 1.848 10 10 ADCE C[C@@H](CO)CN1CCC(N=[N+]=[N-])CC1 1912200151 CQGAUEQWBLLUPY-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CCSc1ncc(CO)s1 1934278428 RAWUSZKTXYFDJJ-UHFFFAOYSA-N 175.278 1.747 10 10 ADCE C[C@H]1[C@@H](C)NCCN1CCCN=[N+]=[N-] 1957251152 YQOHNFJYMGWXIN-BDAKNGLRSA-N 197.286 1.369 10 10 ADCE COC[C@@]1(C)C[C@@H]1CN=[N+]=[N-] 2241616206 RHPSHTXXNRHANV-RNFRBKRXSA-N 155.201 1.969 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2[C@@H](O)C[C@H]21 2297080049 WRSACTFDXXAVPM-HLTSFMKQSA-N 196.254 1.142 10 10 ADCE O=C1CCCCCCCC1=O 39647363 PBXBFQQMHCIRKP-UHFFFAOYSA-N 154.209 1.869 10 10 ADCE Cn1ccnc1Nc1ccc(N)cc1 50605515 JVVHHVKBYCFUNY-UHFFFAOYSA-N 188.234 1.746 10 10 ADCE CC[C@@H](C)OC(=O)CN=[N+]=[N-] 108412493 PMGPPAIJOGZZQQ-RXMQYKEDSA-N 157.173 1.638 10 10 ADCE NCc1cccc(C(F)F)c1O 212537317 RXESYWLHXRIPDQ-UHFFFAOYSA-N 173.162 1.789 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1cncs1 236400801 BJWBPTYCEUPXLO-UHFFFAOYSA-N 197.223 1.183 10 10 ADCE Cn1nncc1Nc1ccc(N)cc1 300964185 PVEYFCXIYZPAHS-UHFFFAOYSA-N 189.222 1.141 10 10 ADCE CC1(C)CO[C@@H](CN=[N+]=[N-])N1 885255904 YITLGTCEWHAYDL-YFKPBYRVSA-N 156.189 1.021 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc(O)c(F)c1 1535797768 NYHNXQFCTLHSKI-SSDOTTSWSA-N 197.169 1.875 10 10 ADCE CCC(=O)NCc1c(O)cccc1O 1635843472 UKPSNXYCLQYSCG-UHFFFAOYSA-N 195.218 1.124 10 10 ADCE CC[C@@H](CO)Cc1ccc(N)cc1 1882081219 NDMIUMHXNZABCV-SECBINFHSA-N 179.263 1.830 10 10 ADCE [N-]=[N+]=NCC(=O)[C@H]1CC1(F)F 1893569085 JAOQMMAXTFYDSY-GSVOUGTGSA-N 161.111 1.521 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)C1[C@@H]2CC[C@@H]12 1955489975 UTESTXVRSHDMFF-RNFRBKRXSA-N 194.238 1.411 10 10 ADCE CN(CCCCCCN)CCN=[N+]=[N-] 1957250290 PFKLCKTVAJJZPG-UHFFFAOYSA-N 199.302 1.748 10 10 ADCE Nc1ccc(CSCC(=O)O)cc1 28014909 FPXQHVZPANZNPA-UHFFFAOYSA-N 197.259 1.587 10 10 ADCE C[C@H](CN)CSc1nccs1 40677161 YELXJABCBWISPZ-ZCFIWIBFSA-N 188.321 1.830 10 10 ADCE CC[C@@H](COC)N=[N+]=[N-] 60120247 MVBJMNVQPORRMS-YFKPBYRVSA-N 129.163 1.722 10 10 ADCE Oc1ccc(O)c(CNC2CC2)c1 83340377 MEZKWMYIJUQGJK-UHFFFAOYSA-N 179.219 1.350 10 10 ADCE Cc1cc(C)c(O)c(O)c1O 96332225 YLOGRIIEIYDEGZ-UHFFFAOYSA-N 154.165 1.420 10 10 ADCE CC[C@H](NC(C)=O)c1ccccc1O 238283237 RNQSUOMEQZBOGS-JTQLQIEISA-N 193.246 1.979 10 10 ADCE CNc1ccccc1NCC(=O)O 238342238 KXTOQCKBGONQJE-UHFFFAOYSA-N 180.207 1.225 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H](N=[N+]=[N-])CC[C@@H]1O 238695056 AANHVVCKXVBVAS-SRQIZXRXSA-N 182.187 1.889 10 10 ADCE O=C1CCC[C@@H]1c1ccc(O)c(O)c1 238729309 SAKJHWXXNGQNBV-MRVPVSSYSA-N 192.214 1.934 10 10 ADCE [N-]=[N+]=N[C@H]1CN2CC[C@H]1C2 307093063 CFDHVPPGMQFPLZ-WDSKDSINSA-N 138.174 1.001 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H](F)[C@@H](F)C1 714517810 JMIOJTNSUJYHMT-BQBZGAKWSA-N 190.197 1.679 10 10 ADCE [N-]=[N+]=NCC12CCC(CC1)N2 885239978 SZABPYLYCCYCOJ-UHFFFAOYSA-N 152.201 1.581 10 10 ADCE C[C@@H]1NC[C@@H]1Oc1ccc(N)cc1 1218383072 MHHOHHGJPZQDTN-XVKPBYJWSA-N 178.235 1.008 10 10 ADCE COC(=O)c1cnn(C)c1CN=[N+]=[N-] 1535679732 VOBOUMGXFZMSJL-UHFFFAOYSA-N 195.182 1.017 10 10 ADCE C[C@@H]1CC[C@@H]([C@@H](CO)N=[N+]=[N-])O1 1535755023 WJHRNCBRQBWPLS-QYNIQEEDSA-N 171.200 1.225 10 10 ADCE C[C@H](N)/C=C/c1ccc(O)c(O)c1O 1535830444 OIMXVOWITKDBIS-SZKDQXIBSA-N 195.218 1.164 10 10 ADCE C[C@@H](N)[C@@H](C)COc1ccc(N)cc1 1896268834 MYBFQDRXIACLIV-DTWKUNHWSA-N 194.278 1.631 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C=CCC1 1912148966 ZYUKLKZPTVUVNC-ZETCQYMHSA-N 180.211 1.379 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@]12CCOC2 1912177769 HSHUFTSKISDFMK-SECBINFHSA-N 196.254 1.552 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN([C@@H]2CCOC2)C1 1912208962 XXDIJJPCFDDGGS-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE CC(=O)C(=O)c1cnccc1C 1951929771 TYWZTEXHMHPRKO-UHFFFAOYSA-N 163.176 1.162 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)C1CC(C)(C)C1 1955732899 CKIDKAQVMILMEI-NSHDSACASA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@@H](O)[C@H]1C2 2297054582 TWKGWUXJALUBJP-DJLDLDEBSA-N 196.254 1.142 10 10 ADCE Oc1cc([C@@H]2CCCN2)cc(O)c1O 104682328 MIZQNKCQSZOMSB-ZETCQYMHSA-N 195.218 1.228 10 10 ADCE Nc1ccc(O)c(CN2CCCO2)c1 164159321 NMUFLQATTNDWOV-UHFFFAOYSA-N 194.234 1.112 10 10 ADCE CC(C)C/[N+]([O-])=N/C=C/C(=O)O 198932215 LSOSZVCOFHAQLR-QLEWIDJOSA-N 172.184 1.203 10 10 ADCE COC(=S)CN=[N+]=[N-] 215131218 DIAUUTRVCVGZHY-UHFFFAOYSA-N 131.160 1.271 10 10 ADCE COC(=O)N1CCC(CN=[N+]=[N-])CC1 222373487 IQAMYJQENWIQJS-UHFFFAOYSA-N 198.226 1.775 10 10 ADCE CC(=O)c1c[nH]c2cc(O)c(O)cc12 238126114 OWDCJGATVHPEIW-UHFFFAOYSA-N 191.186 1.782 10 10 ADCE CCCCC[C@H](O)[C@@H](O)CN=[N+]=[N-] 238238383 CIKCIXHRMZGUFK-YUMQZZPRSA-N 187.243 1.599 10 10 ADCE C[C@@H]1CN(C)CCN(CCN=[N+]=[N-])C1 707545294 JPEIBGWGZPBZEF-SECBINFHSA-N 197.286 1.180 10 10 ADCE Cn1ncc([N+](=O)[O-])c1CN=[N+]=[N-] 1536215071 UJYCEXQLAYFLGM-UHFFFAOYSA-N 182.143 1.139 10 10 ADCE NC[C@H]1C[C@H]1Nc1ccccc1N 1883153374 NYWTUTXUFAEMOV-GMSGAONNSA-N 177.251 1.028 10 10 ADCE CN(CCCN=[N+]=[N-])[C@]1(C)CCOC1 1884657118 CHUHFPOYSHLRSX-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC[C@@H](N)CN(C)CCCN=[N+]=[N-] 1954208821 UDUFLXKCHJQPOR-MRVPVSSYSA-N 185.275 1.356 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@]2(CCN2)C1 1957247091 LIDGKFOBJVJPNU-SECBINFHSA-N 195.270 1.125 10 10 ADCE CO[C@H]1CC[C@@H]1CN1CC(N=[N+]=[N-])C1 2209824359 WQVNEWKBIJQWCO-APPZFPTMSA-N 196.254 1.406 10 10 ADCE CC(=O)CCc1cc(O)c(O)c(O)c1 14817780 ZMWARMIBOFYRCL-UHFFFAOYSA-N 196.202 1.325 10 10 ADCE CC1(C)O[C@@H]2OCC[C@@H](N=[N+]=[N-])[C@@H]2O1 17131210 NBLSLMSVDILREX-VQVTYTSYSA-N 199.210 1.563 10 10 ADCE CCOC(=O)C(=[N+]=[N-])c1ccccc1 40448589 DYCIOVIEGYZBJP-UHFFFAOYSA-N 190.202 1.269 10 10 ADCE CC[C@H](C)S(=O)(=O)CCN=[N+]=[N-] 42416523 FGTTZVBJUILRIC-LURJTMIESA-N 191.256 1.510 10 10 ADCE C[C@H](Cc1ccc(N)cc1)C(N)=S 107534576 KISMJWXOCPCDFX-SSDOTTSWSA-N 194.303 1.734 10 10 ADCE CC[C@@H](CCO)Nc1ccccc1N 123502424 MUPFDTOXUVHUSO-VIFPVBQESA-N 194.278 1.842 10 10 ADCE CC(=O)C(=O)CC(F)(F)F 167227913 ABSDODSUUSXXJV-UHFFFAOYSA-N 154.087 1.097 10 10 ADCE COC(=O)[C@@H](C)C(=O)CCCN=[N+]=[N-] 196166631 KETVVPNWGKTEMR-LURJTMIESA-N 199.210 1.455 10 10 ADCE Cc1cc(F)c(O)c(CN)c1 211957299 BVZUKQVPVZVPNN-UHFFFAOYSA-N 155.172 1.298 10 10 ADCE O=C(O)/C=C/NCc1ccccc1O 236444029 FRUIDMQSULXDPZ-AATRIKPKSA-N 193.202 1.080 10 10 ADCE CCN1CCC(N=[N+]=[N-])CC1 238227372 PVECWBYEXGEKMD-UHFFFAOYSA-N 154.217 1.781 10 10 ADCE CSC[C@@H]1COC(=O)[C@H]1N=[N+]=[N-] 238371997 QGMCIURLKRDROD-WHFBIAKZSA-N 187.224 1.201 10 10 ADCE CO[C@@H](CCC(=O)O)CN=[N+]=[N-] 238376419 FEWCGAXBDGUQBE-YFKPBYRVSA-N 173.172 1.177 10 10 ADCE COc1cccc(C2(N)CCC2)c1O 258205203 YUBNVKOBYJEPQW-UHFFFAOYSA-N 193.246 1.739 10 10 ADCE CO[C@H]1CC[C@H](N=[N+]=[N-])C1 307458142 BVHHNNIKZRARMF-WDSKDSINSA-N 141.174 1.864 10 10 ADCE O=C1OC2(CCCC2)C/C1=C\O 379318450 LDHRTIKOCSEPPX-VOTSOKGWSA-N 168.192 1.688 10 10 ADCE C/C=C/C(=O)N1CCC[C@H]1CN=[N+]=[N-] 691683984 UHLFSHPQLVECNY-KHVHVRLGSA-N 194.238 1.864 10 10 ADCE Cn1cncc1CCN=[N+]=[N-] 1535729931 MUNXIBUVZGSGMO-UHFFFAOYSA-N 151.173 1.273 10 10 ADCE Nc1ccc(Nc2ncsn2)cc1 1882603653 UNWMJHQNUJWVGV-UHFFFAOYSA-N 192.247 1.864 10 10 ADCE CC(C)C[C@H](N)[C@H](O)CN=[N+]=[N-] 1912159641 KNZLTWLIDFJWCC-NKWVEPMBSA-N 172.232 1.031 10 10 ADCE CC(C)C[C@@H](N)[C@@H](O)CN=[N+]=[N-] 1912159643 KNZLTWLIDFJWCC-RQJHMYQMSA-N 172.232 1.031 10 10 ADCE CN(CCF)CCCCN=[N+]=[N-] 1912180751 FTOLYLCNXFCSRC-UHFFFAOYSA-N 174.223 1.978 10 10 ADCE CC(=O)C(=O)[C@@](O)(C1CCC1)C1CC1 1929234256 OPCPAMVEVVNIKC-LLVKDONJSA-N 196.246 1.086 10 10 ADCE O=C1CC[C@@H]([C@H]2CCCCCN2)C1=O 1932573155 FLJBWTHRGMYIII-DTWKUNHWSA-N 195.262 1.067 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]1CC(C)C 1955758532 XHFZGTKBAGCPHE-MWLCHTKSSA-N 198.262 1.332 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])CC[C@H]1N 1957242902 BYGMNHFFEXXCGS-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE Cn1ccc2sc([C@@H](O)CN)cc21 82909435 RIRRDGFJVXUMJN-ZETCQYMHSA-N 196.275 1.232 10 10 ADCE CCn1ncnc1CN=[N+]=[N-] 83980020 LMDKKOCYRNKDGD-UHFFFAOYSA-N 152.161 1.108 10 10 ADCE N[C@@H](c1cc(O)c(O)c(O)c1)C1CC1 95669352 YECBDXVDVWESAK-SECBINFHSA-N 195.218 1.213 10 10 ADCE Nc1ccc(O[C@@H]2CCCNC2)cc1 139935356 RYJHMASIFLSIQW-LLVKDONJSA-N 192.262 1.400 10 10 ADCE CC(=O)OCCCN=[N+]=[N-] 196439931 QZQSDQWCHHWGRA-UHFFFAOYSA-N 143.146 1.250 10 10 ADCE C[C@@H]1C[C@@H]1N=[N+]=[N-] 196447001 PKSJFBWRQJMPBX-DMTCNVIQSA-N 97.121 1.705 10 10 ADCE Oc1cc(C(F)F)c(F)c(O)n1 238669230 WZWMMCKIEVDHRS-UHFFFAOYSA-N 179.097 1.570 10 10 ADCE Cc1cc(C(C)(C)O)c(O)c(O)c1C 258186845 WZJPNDVGQAZGJE-UHFFFAOYSA-N 196.246 1.942 10 10 ADCE Nc1c(F)ccc([C@H]2CCN2)c1O 306592570 ZRYPIQAFZAUHDR-SSDOTTSWSA-N 182.198 1.148 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(F)nc1 1535806722 SHPPGCRQHLGFAS-LURJTMIESA-N 182.158 1.564 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1C[C@@H]1CF 1883150018 JQYFKMHNEQNHQQ-SFYZADRCSA-N 186.234 1.834 10 10 ADCE CCN(C)c1ccc(CN)c(OC)c1 1903898092 HATCIWROBBMXKR-UHFFFAOYSA-N 194.278 1.610 10 10 ADCE CN(C)c1ccc(C=CCO)cc1 1911543255 PGYXGFIMMYWQSC-UHFFFAOYSA-N 177.247 1.758 10 10 ADCE [N-]=[N+]=NCCCCn1ccnn1 1912192721 JKDHLUZPZGECDA-UHFFFAOYSA-N 166.188 1.369 10 10 ADCE CCC[S@@](=O)N1CC(N=[N+]=[N-])C1 1912196254 KOOSNNAULKLNTC-GFCCVEGCSA-N 188.256 1.055 10 10 ADCE CNc1nccnc1CN=[N+]=[N-] 1953644203 PIDDNHFWKGHACP-UHFFFAOYSA-N 164.172 1.329 10 10 ADCE [N-]=[N+]=NCCN1N[C@H]2CC[C@H]1C2 1953752456 SYXMWGUMKCAWAU-BQBZGAKWSA-N 167.216 1.038 10 10 ADCE C[C@H](c1ccc(O)c(O)c1)C1(N)CC1 84353712 ZOPNYWFPKXQWLA-SSDOTTSWSA-N 193.246 1.693 10 10 ADCE COc1ccc([C@H](N)C2CC2)c(O)c1 95659632 VNPHUMDGGZDOGR-LLVKDONJSA-N 193.246 1.811 10 10 ADCE C[C@@H](N)c1ccc2c(c1O)OCO2 95781471 BYECQZNPGODBPY-RXMQYKEDSA-N 181.191 1.141 10 10 ADCE CC[C@@H](C)NC(=O)[C@@H](C)N=[N+]=[N-] 104701696 KCBSOVGHLXINEM-PHDIDXHHSA-N 170.216 1.600 10 10 ADCE CCNCc1cc(O)c(C)cc1O 143486827 RLGDXABOIZTZEC-UHFFFAOYSA-N 181.235 1.516 10 10 ADCE Cc1cc(F)c(C)c([C@H](N)CO)c1O 214975285 MPTRWMLZQGFXEK-MRVPVSSYSA-N 199.225 1.140 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cncnc1 225720746 OXUDYMOPJDUCPB-RXMQYKEDSA-N 149.157 1.848 10 10 ADCE CC[C@]1(C)C[C@H](N=[N+]=[N-])C(=O)O1 238305573 OBVPPNIEJOZKLO-CAHLUQPWSA-N 169.184 1.781 10 10 ADCE COC(=O)[C@@H](N=[N+]=[N-])C1(C)CC1 238373460 AIVDQIMXDOMBAO-RXMQYKEDSA-N 169.184 1.638 10 10 ADCE C[C@@H](CN=[N+]=[N-])C(C)(C)O 238414855 MMIFLGAOXMDYCG-YFKPBYRVSA-N 143.190 1.704 10 10 ADCE Cc1ccc(O)c2c1OC[C@@H]2N 238459130 AMNZVQATCMOPFF-LURJTMIESA-N 165.192 1.093 10 10 ADCE Cc1n[nH]c(C)c2c(C=O)ccc1-2 238470183 LQVDNFPCQADIJD-UHFFFAOYSA-N 174.203 1.944 10 10 ADCE [N-]=[N+]=N[C@@H]1OCCC[C@@H]1CO 238718207 TULIJDHLDAAROD-PHDIDXHHSA-N 157.173 1.042 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCCC[C@H]1O 252929241 RWWBSKQVLYLVEH-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC[C@H](O)C1 307006020 FSIFMCDVKGBNDQ-BQBZGAKWSA-N 155.201 1.848 10 10 ADCE CC(C)[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@@H]1C 307268734 LCQUADZVTAZSNO-YWIQKCBGSA-N 185.227 1.675 10 10 ADCE Cc1ccc([C@H]2CCN2)c(O)c1F 307275052 PTMCSPOBGGYTKX-MRVPVSSYSA-N 181.210 1.874 10 10 ADCE Oc1ccc(F)cc1CN1CCC1 307541073 RTWFTXTWQUXGAT-UHFFFAOYSA-N 181.210 1.737 10 10 ADCE CO[C@@H]1CC[C@@H](C)N(CCN=[N+]=[N-])C1 687203069 CMOAWABZNRJXQP-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CN[C@H](C)C(=O)[C-]1C(C)=C=S=C1C 885870761 HJQNUKMFDJMWJY-SSDOTTSWSA-N 196.295 1.024 10 10 ADCE Cc1ccc(NN=NCC(=O)O)cc1 1860493179 BJYIDCFVQDGFMB-UHFFFAOYSA-N 193.206 1.859 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN(CCCCO)C1 1912151701 KILZKVQGQGWBFN-SECBINFHSA-N 198.270 1.534 10 10 ADCE NC1(c2ccccc2O)CSC1 1928467635 MRYNEIGABRVQCF-UHFFFAOYSA-N 181.260 1.293 10 10 ADCE CC[C@@H](C=Cc1nccn1C)CN 1931127096 ZVGAJSGUTUNFEM-VIFPVBQESA-N 179.267 1.418 10 10 ADCE C[C@@H](CCCN=[N+]=[N-])S(=O)(=O)O 1934355287 GTBSJPOFVRRELO-YFKPBYRVSA-N 193.228 1.353 10 10 ADCE COc1cccc(O)c1CN(C)O 1951350560 WAMQAMCGPWEYJG-UHFFFAOYSA-N 183.207 1.222 10 10 ADCE Cn1cccc1C=C1CCNC1 1951621087 HPFNVBDCZXGBBO-UHFFFAOYSA-N 162.236 1.402 10 10 ADCE CN(C)c1ccc([C@@]2(C)CCN2)cc1 1952186088 MIJXITOKUGQCDE-GFCCVEGCSA-N 190.290 1.961 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H]1CCCOC1 1953414319 MKYILKSPRMWWKZ-RNFRBKRXSA-N 171.200 1.084 10 10 ADCE CN(CCN=[N+]=[N-])C1CCC(O)CC1 1955473405 GWZAECWZVJSNHD-UHFFFAOYSA-N 198.270 1.532 10 10 ADCE CSc1ccc(F)c(O)c1O 2060129693 REGNQUWECGUIBP-UHFFFAOYSA-N 174.196 1.959 10 10 ADCE Cc1nc(/C=C/CCN)n2c1CCC2 2209985139 GSBRRCPZMIOXOQ-QHHAFSJGSA-N 191.278 1.500 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C1 42416017 QONGLIPQTIBLBG-SSDOTTSWSA-N 154.217 1.639 10 10 ADCE CC(C)Oc1ccc(O)c(O)c1 59957697 UWYZCVZVKZJALZ-UHFFFAOYSA-N 168.192 1.885 10 10 ADCE O=C(O)CC1(C=S)CC1 60011461 KOGSAVHKYIDDGH-UHFFFAOYSA-N 144.195 1.241 10 10 ADCE [N-]=[N+]=N[C@@H]1CC2(CCC1=O)OCCO2 136686317 OOARZSBQYGBXSL-ZCFIWIBFSA-N 197.194 1.161 10 10 ADCE C=Cc1ccc(O)c([C@H](N)CCO)c1 238671105 UJDBWKXAPVUWQD-SNVBAGLBSA-N 193.246 1.417 10 10 ADCE C/C=C/C=C(\N=[N+]=[N-])C(=O)OC 307911088 FUMZAPGUUKHVAR-ICWBMWKASA-N 167.168 1.930 10 10 ADCE CC[C@@H]1COC[C@H]1N(C)CCN=[N+]=[N-] 688213922 NQISAMVRWRQDJO-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE CN(CCN=[N+]=[N-])C[C@]12COC[C@@H]1C2 689366516 WLNKNTMGCSYINL-DTWKUNHWSA-N 196.254 1.265 10 10 ADCE Nc1ccc(CN2CC[C@H]2CF)cc1 1886117326 BVKFZKUEYZQFQY-NSHDSACASA-N 194.253 1.813 10 10 ADCE NC[C@@H](Nc1ccc(N)cc1)C1CC1 1888905124 KLHARIXWXZCOFV-LLVKDONJSA-N 191.278 1.418 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H]1CN 1957244943 UONDTZBERYOJPD-DTWKUNHWSA-N 197.286 1.213 10 10 ADCE Cc1[nH]cnc1C=S 34368521 PIFDTQQVTVZPQH-UHFFFAOYSA-N 126.184 1.066 10 10 ADCE Cc1ccc(O)c([C@H](N)CCO)c1 44234136 NKMOFMVSAZXLKV-SECBINFHSA-N 181.235 1.083 10 10 ADCE CCC(C)(C)NC(=O)CN=[N+]=[N-] 104702365 NSAQONGVOXYFJB-UHFFFAOYSA-N 170.216 1.602 10 10 ADCE CN(C)[C@@H](CCO)c1ccccc1O 107554427 JKQWYHZTDHIKNL-JTQLQIEISA-N 195.262 1.377 10 10 ADCE C[C@H](CN(C)C)Nc1ccc(N)cc1 116321856 PITJZCFQWFIZDJ-SECBINFHSA-N 193.294 1.631 10 10 ADCE CCOC(=O)/C(=C\O)CC 145576493 BDGAVKLSRUWOTR-WAYWQWQTSA-N 144.170 1.401 10 10 ADCE CCONCc1cccc(C)c1O 159154412 GNRRZXWLHQBYCQ-UHFFFAOYSA-N 181.235 1.742 10 10 ADCE O=C1C(=O)[C@H]2C=C[C@H]1[C@H]1C=CC[C@@H]21 230618600 KKHOJGYVNVFAQV-KZVJFYERSA-N 174.199 1.133 10 10 ADCE CCOc1ccc2c(c1O)[C@@H](N)CO2 238287800 JLXZLYTZZAQMGJ-LURJTMIESA-N 195.218 1.183 10 10 ADCE COc1c(O)cc2c(c1O)[C@H](N)CC2 238449920 IWAPWAJVMMXAMG-ZCFIWIBFSA-N 195.218 1.052 10 10 ADCE C[C@H](N=[N+]=[N-])[C@H]1OCC[C@@H]2CCN21 238459583 TXLBNGAGKQASMN-BIIVOSGPSA-N 182.227 1.506 10 10 ADCE Cc1cc([C@H](C)CN)cc(O)c1O 257915419 BJBIVQAFQQQOSI-SSDOTTSWSA-N 181.235 1.468 10 10 ADCE Nc1ccc(NC(=O)N2CCC2)cc1 306203303 XSFUWBOLNZUQNV-UHFFFAOYSA-N 191.234 1.506 10 10 ADCE Cn1ccnc1/C=C1\CCC[C@H](N)C1 690647448 NLNBJFMFWYFLLD-DDXVTDLHSA-N 191.278 1.705 10 10 ADCE Cc1[nH]c(=N)sc1CN=[N+]=[N-] 1880295500 JNOFPSUUYGSBDV-UHFFFAOYSA-N 169.213 1.674 10 10 ADCE C[C@@H]1C[C@]1(F)CN(C)CCN=[N+]=[N-] 1884225257 RVKVEAMODYESML-SFYZADRCSA-N 186.234 1.977 10 10 ADCE C[C@H](O)CCN1CCC[C@H]1CN=[N+]=[N-] 1885284358 AEWCJSCUAAJUHZ-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H](C)[C@H](C)O 1887712149 HBQZJIDDVDCEDX-SFYZADRCSA-N 186.259 1.388 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)NC1CC1 1887712322 JUEWTWQZVBBKEL-UHFFFAOYSA-N 197.242 1.491 10 10 ADCE CC(C)ONCc1ccc(F)cc1O 1904364173 YNNQCYRRRKPQRV-UHFFFAOYSA-N 199.225 1.961 10 10 ADCE COCC1CN(CCCN=[N+]=[N-])C1 1912203687 FWLYFKXAKJTQIK-UHFFFAOYSA-N 184.243 1.265 10 10 ADCE NCC[C@H]1C[C@H]1c1cccc(O)c1O 1951844992 TWRPHUNYUWKRNO-IONNQARKSA-N 193.246 1.550 10 10 ADCE CN[C@@H](COC)c1ccc(O)cc1O 1951845460 VELQHFLIKCPTBX-VIFPVBQESA-N 197.234 1.005 10 10 ADCE CO[C@H](C)c1noc(CN=[N+]=[N-])n1 1953991454 VFZIPWPXWYBRPI-SCSAIBSYSA-N 183.171 1.587 10 10 ADCE CC[C@H](C)[S@@](=O)CCN=[N+]=[N-] 42416622 KSMBKBOMTXIURA-UPONEAKYSA-N 175.257 1.844 10 10 ADCE CCC(=O)C(=O)C(F)(F)F 60011064 STKREJOKFJJZNL-UHFFFAOYSA-N 154.087 1.097 10 10 ADCE CN(CC(C)(C)O)c1ccc(N)cc1 86273670 CJOZACIZGJPKBO-UHFFFAOYSA-N 194.278 1.476 10 10 ADCE OC(O)=C/N=N/c1cc[nH]n1 100202518 HPKLESQQUMSVOA-VQHVLOKHSA-N 154.129 1.408 10 10 ADCE Cn1cc[n+](C(=O)c2ccccc2)c1 144014458 OWTRJAUZBZWVPV-UHFFFAOYSA-N 187.222 1.001 10 10 ADCE CCC[C@@H](O)CN=[N+]=[N-] 159662367 PYCJLCGCPYGKKG-RXMQYKEDSA-N 129.163 1.458 10 10 ADCE CCSc1cccc(CN)c1O 238304157 DECVJCRGUDLQKJ-UHFFFAOYSA-N 183.276 1.963 10 10 ADCE CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])C=CO[C@@H]1C 238495507 QBTMAHFTNMULDZ-MHSYXAOVSA-N 197.194 1.529 10 10 ADCE [N-]=[N+]=NC[C@]1(C(F)(F)F)CCNC1 306257505 YUFNPOBLAQUODU-YFKPBYRVSA-N 194.160 1.839 10 10 ADCE C[C@H](O)C[C@H]1CCCN1CCN=[N+]=[N-] 379507842 NQVUSVRVAUQOPZ-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE N[C@@H](CCF)c1cccc(O)c1O 575440170 MDYNUAHZXIRSDE-ZETCQYMHSA-N 185.198 1.457 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H]1CO 708217509 VDWVKDAIDCKRKE-IUCAKERBSA-N 198.270 1.247 10 10 ADCE Cc1ccoc1[C@H](CO)N=[N+]=[N-] 1535677160 GVHIIHOVICUWBG-LURJTMIESA-N 167.168 1.932 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H]1CCCOC1 1535776396 QUXXWXDTFWQKHE-BQBZGAKWSA-N 171.200 1.084 10 10 ADCE C[C@@]1(O)CCN(CCCCN=[N+]=[N-])C1 1912176416 YXEMCLOTJJBMKR-SECBINFHSA-N 198.270 1.534 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H]1CCCC[C@H]1C 1929232415 ZAYMJYIMCAHJNZ-POZPLHJXSA-N 198.262 1.332 10 10 ADCE CC(=O)C(=O)c1cccc(C)c1F 1951322535 KRRWONDYHKPKKI-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE Oc1ccc(C[C@H]2CCN2)cc1O 1952063433 XJNORXXMSDHSIP-MRVPVSSYSA-N 179.219 1.002 10 10 ADCE Nc1cccc(F)c1N[C@H]1C[C@@H]1CO 1955090824 LHGXQXCCWDHOHW-MUWHJKNJSA-N 196.225 1.201 10 10 ADCE Nc1ccc(CCSCCO)cc1 36336065 GBACVPMPQZLNSV-UHFFFAOYSA-N 197.303 1.537 10 10 ADCE Nc1ccc(NCc2ncc[nH]2)cc1 39368875 NSJAZMFQWIVAKI-UHFFFAOYSA-N 188.234 1.604 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1CCCCC1 42012120 KOHYAUIUBNVRNQ-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE CCOC(=O)C[C@@H](C)N=[N+]=[N-] 43622801 BNOHGTFYXINJRK-RXMQYKEDSA-N 157.173 1.638 10 10 ADCE COc1ccc2c(c1)[C@H](CN)CN2C 71484073 BTMYNOYZXZCBFE-MRVPVSSYSA-N 192.262 1.187 10 10 ADCE c1ccc2c(c1)NC[C@@H]1COC[C@H]1N2 87262779 IBVVHEMVEPEJJH-LDYMZIIASA-N 190.246 1.539 10 10 ADCE CNN[C@@H](C)c1ccc(N(C)C)cc1 207595372 KHZNCFOGUCGHIN-VIFPVBQESA-N 193.294 1.538 10 10 ADCE CO[C@@H]1C[C@H](N=[N+]=[N-])[C@H](CN=[N+]=[N-])O1 210071895 ZKDPFYAFKQRQBS-ZLUOBGJFSA-N 198.186 1.737 10 10 ADCE C[C@H](N)c1cccc([N+](=O)[O-])c1O 211769251 XBMHLQRQXIDIEL-YFKPBYRVSA-N 182.179 1.320 10 10 ADCE COc1cc([C@@H](C)N)c(O)cc1F 213183444 NHENDLNOKHBKHV-RXMQYKEDSA-N 185.198 1.560 10 10 ADCE C[C@@H](N)c1cc(F)c(O)c(F)c1O 214540887 YWNXFUARYJEEIM-GSVOUGTGSA-N 189.161 1.396 10 10 ADCE CN(C)c1ccc(C2(N)CC2)cc1F 214771334 AMDMTCHZYKSKSF-UHFFFAOYSA-N 194.253 1.840 10 10 ADCE CC(C)OC(=O)N[C@@H](C)CN=[N+]=[N-] 238175621 BFSQDINZQLYEHU-LURJTMIESA-N 186.215 1.820 10 10 ADCE COc1ccc(O)c([C@H](C)N)c1O 238379630 MDFBZTPMRGKWGP-YFKPBYRVSA-N 183.207 1.126 10 10 ADCE Cc1ccc(O)c2c1C(=O)[C@H](C)C2=O 238472119 MDAMCBSNTHSIHW-LURJTMIESA-N 190.198 1.716 10 10 ADCE N[C@H]1COc2ccc(Cl)c(O)c21 238646798 RTJVPWDLNRDGBT-YFKPBYRVSA-N 185.610 1.438 10 10 ADCE C[C@@H]1CCc2c1cc(O)c(O)c2C=O 238804799 DDUOBOOXEZEIKG-ZCFIWIBFSA-N 192.214 1.960 10 10 ADCE N=NNC[C@H]1NCCc2c#csc21 642827074 XPBJTKSCRCKMDT-SSDOTTSWSA-N 194.263 1.071 10 10 ADCE CC(C)[C@H]1CN(CCN=[N+]=[N-])CCO1 708878376 IEBRJWWKTFWKLH-SECBINFHSA-N 198.270 1.654 10 10 ADCE CN[C@@H]1CCN(C(C)C)[C@H]1CN=[N+]=[N-] 712089888 PKXDDQGRGNVTDK-BDAKNGLRSA-N 197.286 1.367 10 10 ADCE CCC[C@@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 1877725585 KSADLQKKMTVHBX-HTQZYQBOSA-N 196.254 1.849 10 10 ADCE C[C@]1([C@@H](O)CN=[N+]=[N-])CC1(F)F 1881562027 FQGBAGBKKICNHP-CRCLSJGQSA-N 177.154 1.703 10 10 ADCE CCC(=Cc1ccc(O)c(O)c1)CO 1884304521 HGVGKZUMBGASPK-UHFFFAOYSA-N 194.230 1.884 10 10 ADCE [N-]=[N+]=N[C@H]1CCN([C@H]2CCCOC2)C1 1912201008 OKSSBCRSDRAGID-IUCAKERBSA-N 196.254 1.550 10 10 ADCE CC=CCNCc1cccc(O)c1O 1927736344 FTHFKCSSIDBGFZ-UHFFFAOYSA-N 193.246 1.764 10 10 ADCE CSCC[C@H](O)CCN=[N+]=[N-] 1951349715 DDNUFOZDQDRPKK-ZCFIWIBFSA-N 175.257 1.801 10 10 ADCE [N-]=[N+]=NCc1cc(O)nc(O)c1 1951451773 NWLKWSMBYYRGDN-UHFFFAOYSA-N 166.140 1.303 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cccnc1O 1951475515 SGPUSNPKMWOZMG-LURJTMIESA-N 180.167 1.131 10 10 ADCE Cc1cccc([C@H]2CC(=O)CN2)c1O 1951970388 SOXURLZFOYEOGR-SNVBAGLBSA-N 191.230 1.304 10 10 ADCE C[C@@H](N)[C@@H](N=[N+]=[N-])c1cnn(C)c1 1954081211 LBRQJHLWGHXMNC-IYSWYEEDSA-N 180.215 1.119 10 10 ADCE CCCC[C@@H](N=[N+]=[N-])C(=O)O 59371771 WJWCWIMVMYWVNZ-RXMQYKEDSA-N 157.173 1.940 10 10 ADCE NC[C@@H](N)c1ccc(Cl)cc1O 72200283 LDWXVTDBRMXOIC-SSDOTTSWSA-N 186.642 1.004 10 10 ADCE O=C1CCCc2ccc(O)c(O)c21 75568202 FOEWMGPKFZWCFK-UHFFFAOYSA-N 178.187 1.617 10 10 ADCE CC(C)[C@H](N)c1cccc(O)c1O 95673864 TWHBPSGCZJXAQQ-VIFPVBQESA-N 181.235 1.754 10 10 ADCE Cc1cc(C(=O)O)cc([C@@H](C)N)c1O 95717828 NFLYWDALPDWDEU-ZCFIWIBFSA-N 195.218 1.419 10 10 ADCE CN[C@H](CO)c1cc(C)c(C)cc1O 104518707 BYQJVNFWINITHX-SNVBAGLBSA-N 195.262 1.262 10 10 ADCE CC[C@H]1CCN[C@H](CC(=O)C(C)=O)C1 167563018 MFJIZVFWDKVMOL-UWVGGRQHSA-N 197.278 1.313 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC(=O)N2CCCC[C@@H]12 207512504 SRMDGVDVVCGNED-SFYZADRCSA-N 194.238 1.840 10 10 ADCE CC[C@H](N=[N+]=[N-])[N+](=O)[O-] 221259952 NYCINHLLCDSCBN-GSVOUGTGSA-N 130.107 1.310 10 10 ADCE CC(C)CNC(=O)CCN=[N+]=[N-] 238156322 GXZRROWCJDPYGV-UHFFFAOYSA-N 170.216 1.459 10 10 ADCE CCOC(=O)[C@@H](N=[N+]=[N-])[C@@H](C)F 238254123 VKMOISBVDLVCNP-UHNVWZDZSA-N 175.163 1.586 10 10 ADCE CC[C@H]1CN=N[C@]1(N=[N+]=[N-])C(=O)OC 238312325 OTZOYDWCUQMUIT-CAHLUQPWSA-N 197.198 1.658 10 10 ADCE Cc1cc([C@@H](C)CN)cc(O)c1O 257915444 BJBIVQAFQQQOSI-ZETCQYMHSA-N 181.235 1.468 10 10 ADCE CCOc1ccc(N(C)CO)cc1F 258851116 DJWNQXJGHKHNMZ-UHFFFAOYSA-N 199.225 1.610 10 10 ADCE Cc1[nH]cnc1-c1ccc(O)c(O)c1 259793739 RJWAMAZKYYVIKI-UHFFFAOYSA-N 190.202 1.796 10 10 ADCE [N-]=[N+]=NC[C@@]1(C(F)(F)F)CCNC1 306257504 YUFNPOBLAQUODU-RXMQYKEDSA-N 194.160 1.839 10 10 ADCE O=C1CCC(Cl)(Cl)C1=O 307455720 DNKITBMVZKUCFS-UHFFFAOYSA-N 166.991 1.092 10 10 ADCE [N-]=[N+]=N[C@@H]1C(Cl)=CCC[C@H]1O 687762958 LVMBCNGYTWNVRG-PHDIDXHHSA-N 173.603 1.943 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCCN(C(N)=O)C1 885853334 ZXQFYOLISMCZFE-ZETCQYMHSA-N 197.242 1.478 10 10 ADCE COC[C@@H]1C[C@H]1Nc1ccccc1N 1888934985 ZHHFVQINKFLJGD-GZMMTYOYSA-N 192.262 1.716 10 10 ADCE C[C@H](Oc1ccc(N)cc1)[C@H]1CCN1 1896322032 STBSDTUMPYLHGU-GZMMTYOYSA-N 192.262 1.398 10 10 ADCE N[C@@]1(c2ccccc2O)C=CCC1 1933865539 CDJZCVTXVYTFRU-NSHDSACASA-N 175.231 1.896 10 10 ADCE CC(=O)C(=O)c1cc(C)c(C)cc1O 1952770936 SGWXHYTYPKKNNV-UHFFFAOYSA-N 192.214 1.781 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@@H]2C1=O 1956808445 ZAMHVYLPPHWOOJ-SFYZADRCSA-N 194.238 1.555 10 10 ADCE Nc1ccc2c(c1)C(=O)c1cccnc1-2 1387109 QWEUSHZMHMMLDJ-UHFFFAOYSA-N 196.209 1.875 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H]2C[C@@H]1NC(=O)O2 34849893 BASXYKCUDJTNEI-ZLUOBGJFSA-N 180.167 1.102 10 10 ADCE Nc1sccc1C=O 38433635 XDCLULRDALXFAX-UHFFFAOYSA-N 127.168 1.143 10 10 ADCE CCCC(=O)NCCCN=[N+]=[N-] 42012914 YBFYFKNFSOLOHS-UHFFFAOYSA-N 170.216 1.603 10 10 ADCE Nc1ccc(N[C@@H]2CCCOC2)cc1 71012127 SVRYRIMTQLVKBJ-LLVKDONJSA-N 192.262 1.860 10 10 ADCE Nc1ccc(CN2CC3(CC3)C2)cc1 86687974 DGMZAMRDAFKKSS-UHFFFAOYSA-N 188.274 1.865 10 10 ADCE Cc1ccc(C(=O)O)c(O)c1[C@H](C)N 95769714 OFTSFBHZYRCKSP-LURJTMIESA-N 195.218 1.419 10 10 ADCE COc1ccc([N+](=O)[O-])c(O)c1O 113041708 ZEAGMMDOFUGESR-UHFFFAOYSA-N 185.135 1.015 10 10 ADCE CC(C)(C)[C@@H]1CCC(=O)C(=O)C1 129192019 CFDWAORHYPUEFT-SSDOTTSWSA-N 168.236 1.971 10 10 ADCE Cc1ccc(C)c([C@](C)(N)CO)c1O 238456304 VWTZMHQXPGUZRK-LLVKDONJSA-N 195.262 1.175 10 10 ADCE CC1(C)O[C@@H]2OC[C@H](N=[N+]=[N-])[C@H]2O1 307625935 PUAKPRQXHCBPAA-JKUQZMGJSA-N 185.183 1.173 10 10 ADCE CCC(F)(F)C(=O)NCCN=[N+]=[N-] 692384060 FCUFHBBAPPOGHE-UHFFFAOYSA-N 192.169 1.458 10 10 ADCE CCN[C@@H]1CCN(CC)[C@@H]1CN=[N+]=[N-] 712230491 NRPVGZVFUZDENH-RKDXNWHRSA-N 197.286 1.369 10 10 ADCE C[C@@H]1C[C@@H](C)C(=O)N(CCN=[N+]=[N-])C1 885819216 ICZABEUNLVSTMK-HTQZYQBOSA-N 196.254 1.801 10 10 ADCE [N-]=[N+]=NC1CCN(C[C@@H]2CCO2)CC1 1888422822 NGVNFKIMBVDZNY-VIFPVBQESA-N 196.254 1.550 10 10 ADCE CCCn1ccnc1C=CCCNC 1911554998 WIJBNISJDWGZCC-UHFFFAOYSA-N 193.294 1.916 10 10 ADCE CCOC(=O)/C=C(\C)N=[N+]=[N-] 35244472 IJSIARXOVVKCSV-SNAWJCMRSA-N 155.157 1.764 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CC[C@@H]1C[N+](=O)[O-] 39116294 PCQGEFFATVLXPE-PHDIDXHHSA-N 168.156 1.518 10 10 ADCE OCc1cccc([C@@H]2CCCN2)c1O 72201648 OZSCGICDTUZFGY-JTQLQIEISA-N 193.246 1.309 10 10 ADCE CC1(C)CS[C@H](CN=[N+]=[N-])N1 87606004 YOAMOFLTFXMUAU-RXMQYKEDSA-N 172.257 1.738 10 10 ADCE COc1c(F)ccc([C@H](C)N)c1O 213183075 RNWWXSDOJXOQTJ-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE [N-]=[N+]=NCCC1=CCC[C@@H](O)[C@@H]1O 221437886 KIHOVQWTQHDRIX-HTQZYQBOSA-N 183.211 1.129 10 10 ADCE CC(=O)O[C@H]1COCC[C@@H]1N=[N+]=[N-] 238098334 CECMKJKRCDCALV-BQBZGAKWSA-N 185.183 1.017 10 10 ADCE CC1CCC(=O)C(=O)CC1 238177192 IXIGFGRJOMDLPJ-UHFFFAOYSA-N 140.182 1.335 10 10 ADCE Oc1ccc(F)c([C@H]2CCCN2)c1O 257969041 CQPDTJFVZPRIJC-SSDOTTSWSA-N 197.209 1.661 10 10 ADCE CC[C@@H]1C[C@H]1C(=O)NCCCN=[N+]=[N-] 387620323 QJJDQNBIUANJEN-HTQZYQBOSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=NCC12CC(CN1)C2 642833376 LWMRPTYTPRKSQO-UHFFFAOYSA-N 138.174 1.049 10 10 ADCE C[C@H]1C[C@@H]1CN=[N+]=[N-] 722895361 BGRGBYWLTQIDJK-CRCLSJGQSA-N 111.148 1.953 10 10 ADCE CO[C@@H]1C[C@@H]2[C@@H]1CCN2CCN=[N+]=[N-] 1885118634 UTSUJIYNXBTRNE-DJLDLDEBSA-N 196.254 1.406 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1CCO1 1888422457 GYXABTZZMZKSEZ-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CO[C@@H]1C[C@@H](C)CN(CCN=[N+]=[N-])C1 1905550932 RTZXVZLWNBAULN-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H]2CCCO2)C1 1912157444 XWRITOKRGSYVDU-BDAKNGLRSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2CCCC[C@@H]21 1912182433 BNPQUAHPVATOMP-SFYZADRCSA-N 194.238 1.698 10 10 ADCE O=C1CC[C@@H](C(=O)c2ccco2)C1=O 1932574308 XUOZPYSGVNCCQJ-ZCFIWIBFSA-N 192.170 1.011 10 10 ADCE C[C@@H]1C[C@H](CO)CN1CCCN=[N+]=[N-] 1934981611 RSVDJMICVDMLTK-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE C[C@@H]1C[C@]1(N)Cc1cccc(O)c1O 1951521079 BJVNNEBZLULUJC-HQJQHLMTSA-N 193.246 1.378 10 10 ADCE Cc1cccc(N)c1N[C@H]1C[C@@H]1CO 1955092240 VEUGIOQXOJYSJJ-SCZZXKLOSA-N 192.262 1.370 10 10 ADCE CC1(C)C[C@H](O)CCN1CCN=[N+]=[N-] 1956752890 XPSNUQMRHXFURI-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](O)[C@H]1C2 2297054583 TWKGWUXJALUBJP-YIZRAAEISA-N 196.254 1.142 10 10 ADCE C[C@H]1CC(=O)c2cc(O)c(O)cc2C1 31164325 PWJFIPLEFGCYCM-ZCFIWIBFSA-N 192.214 1.863 10 10 ADCE biogenic C=CC(=O)OCCN=[N+]=[N-] 34768560 GYBMFKUYEWIWKU-UHFFFAOYSA-N 141.130 1.026 10 10 ADCE CCCc1nc(CN=[N+]=[N-])no1 49339834 XPTUXSCFLYQWPL-UHFFFAOYSA-N 167.172 1.832 10 10 ADCE CC[C@@H](N)c1c(O)cc(O)cc1O 71452056 KKVRSRPNXFPLFF-ZCFIWIBFSA-N 183.207 1.213 10 10 ADCE CCOc1ccc(O)c([C@@H](C)N)c1 71455093 HNYSSVDZOUGKEU-SSDOTTSWSA-N 181.235 1.811 10 10 ADCE NCCCn1ccc2cc(N)ccc21 82636323 FTQUGGWDNKVVLE-UHFFFAOYSA-N 189.262 1.572 10 10 ADCE NCc1ccc2occc2c1O 82850626 NBAOEWXRPCIZGV-UHFFFAOYSA-N 163.176 1.597 10 10 ADCE CN1CCc2cc(CNO)ccc21 82870524 OEIMDQLSINXWGX-UHFFFAOYSA-N 178.235 1.158 10 10 ADCE C[C@@H](c1cccc(F)c1O)N(C)O 82877795 TWDOKBHCRFODFU-LURJTMIESA-N 185.198 1.913 10 10 ADCE CN[C@@H](C)CCc1ccc(O)c(O)c1 84349749 OZEOPQRCKZKVMS-QMMMGPOBSA-N 195.262 1.638 10 10 ADCE N[C@H](CCCO)c1cccc(F)c1O 95663269 ODEIURSYLDEOSV-SECBINFHSA-N 199.225 1.304 10 10 ADCE O=[N+]([O-])c1cc(O)c(O)cc1Cl 113041428 RNWLXOJRHDTWJS-UHFFFAOYSA-N 189.554 1.659 10 10 ADCE C[C@H]1NC(=O)c2cccc(O)c21 221190532 FXIYEVFOGZFUFJ-RXMQYKEDSA-N 163.176 1.197 10 10 ADCE NC1(c2cccc(Cl)c2O)CC1 221339611 QQXSUJLDCGTPFT-UHFFFAOYSA-N 183.638 1.993 10 10 ADCE CN[C@H](CO)c1c(C)ccc(F)c1O 238356568 APAPJEIWRMBLCZ-MRVPVSSYSA-N 199.225 1.093 10 10 ADCE C=Cc1ccc(O)c([C@@](C)(N)CO)c1 238506258 WYNJXDNNCQQQKT-NSHDSACASA-N 193.246 1.201 10 10 ADCE ONCc1c(F)ccc(F)c1O 258062460 SSNQZKMPNISOKV-UHFFFAOYSA-N 175.134 1.149 10 10 ADCE [N-]=[N+]=NC[C@@H]1CNC[C@@H]1C(F)F 306868034 QHYIIKZUYJLUGW-WHFBIAKZSA-N 176.170 1.397 10 10 ADCE CNC(=O)N=NC(C)(C)C 395335872 JROKMHFGRZHLNX-UHFFFAOYSA-N 143.190 1.577 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@H]1C1CC1 699092495 FMVQZKZFKGMHCE-YUMQZZPRSA-N 194.238 1.459 10 10 ADCE Nc1ccc(CN2CC[C@H]3C[C@@H]32)cc1 707081391 HLDVIWPUIZVZIV-JQWIXIFHSA-N 188.274 1.863 10 10 ADCE C[C@@]1(CO)CCCCN1CCN=[N+]=[N-] 723021435 BSQGWSTXGWZYAA-VIFPVBQESA-N 198.270 1.534 10 10 ADCE NC1(c2c(O)cc(O)cc2O)CCC1 1535670551 FXUWBYPOBJKUKU-UHFFFAOYSA-N 195.218 1.141 10 10 ADCE CCN(CCF)c1ccc(CO)cc1 1886425132 NABGOFZBWABTJX-UHFFFAOYSA-N 197.253 1.975 10 10 ADCE CC1(C)C[C@H](N2CC(N=[N+]=[N-])C2)CO1 1893829693 CDWCGWPBHYREFA-QMMMGPOBSA-N 196.254 1.548 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H]1F 1912166277 VJYODWCCUSVXAG-SFYZADRCSA-N 186.234 1.977 10 10 ADCE CN[C@@H](CN(C)C)c1ccccc1O 1928472329 OOMVDZPTWVXPHK-JTQLQIEISA-N 194.278 1.214 10 10 ADCE CCCC1([C@H](O)C(=O)C(C)=O)CC1 1929226213 APRORBJXFYSKTJ-SECBINFHSA-N 184.235 1.086 10 10 ADCE COc1cnccc1CN=[N+]=[N-] 1951381477 AIRSCYCVFIHTSZ-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE C[C@@H]1C(C(=O)N(C)CCN=[N+]=[N-])[C@H]1C 1955681126 ZPDYAUKJQHACIB-BQBZGAKWSA-N 196.254 1.657 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](N)CC12CCC2 1957245505 XSYWBWFCNGTFEU-MRVPVSSYSA-N 195.270 1.252 10 10 ADCE Cn1ccnc1C=C1[C@H]2CNC[C@@H]1C2 2241813326 KKYYFDHPRCTWHI-DTORHVGOSA-N 189.262 1.043 10 10 ADCE COC[C@H](C)Nc1ccc(N)cc1 20382429 IKSKRIGXFHSLOR-QMMMGPOBSA-N 180.251 1.716 10 10 ADCE CSc1ncc(N(C)C)s1 38282374 UPSCSNNDHCCMIO-UHFFFAOYSA-N 174.294 1.931 10 10 ADCE CC[C@H]1CO[C@@H](C)CN1CCN=[N+]=[N-] 42451732 PUZGDFNXQMUOJS-IUCAKERBSA-N 198.270 1.796 10 10 ADCE Cc1cc(O)c([C@@H](N)C(=O)O)cc1C 82895399 DKLSOGGNGHWSJQ-SECBINFHSA-N 195.218 1.093 10 10 ADCE CCC[C@H](O)CN=[N+]=[N-] 159662233 PYCJLCGCPYGKKG-YFKPBYRVSA-N 129.163 1.458 10 10 ADCE Nc1ccc(NC2=CN=NC2=O)cc1 196403323 QYMIYNPRCUUTQF-UHFFFAOYSA-N 188.190 1.515 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H](C)CN(C)C 232261829 UMFOMAARISBOLC-SECBINFHSA-N 199.302 1.569 10 10 ADCE C[C@H](O)c1c(Cl)ccc(O)c1O 258123768 QTUNPHKLEHCIPR-BYPYZUCNSA-N 188.610 1.805 10 10 ADCE Cc1ccc(N=NC(=N)NO)cc1 383546071 CZGOETKSBXPQIL-UHFFFAOYSA-N 178.195 1.992 10 10 ADCE C[C@H](N)[C@H](C)NCc1ccccc1O 393691106 PYAWCARKUCTYPG-IUCAKERBSA-N 194.278 1.218 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCCOC1 401455177 HJMOVVAPQPQNQI-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE Cc1ncncc1[C@@H](CO)N=[N+]=[N-] 1535734731 PGHZZCWTLCEGRA-SSDOTTSWSA-N 179.183 1.129 10 10 ADCE [N-]=[N+]=NCCc1ccc(O)cc1O 1535737675 VCQBTZVJDGXIJI-UHFFFAOYSA-N 179.179 1.951 10 10 ADCE [N-]=[N+]=NCCc1cscn1 1535766816 NBXAODDSJHCQGW-UHFFFAOYSA-N 154.198 1.996 10 10 ADCE C[C@H]1C[C@]1(F)CN1CC(N=[N+]=[N-])C1 1884224818 NBAQAIKUFGREHQ-XPUUQOCRSA-N 184.218 1.729 10 10 ADCE CCN(CCN=[N+]=[N-])CC1(CO)CC1 1887718433 WUGFGHDGZIUDII-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE Cc1cnc(C=C2CCNC2)n1C 1888838680 RJNJBGYTLMREAB-UHFFFAOYSA-N 177.251 1.105 10 10 ADCE C[C@@H]1CC[C@]2(CO[C@H](CN=[N+]=[N-])N2)C1 1891744521 FVQIWHYSTMRUCU-IWSPIJDZSA-N 196.254 1.801 10 10 ADCE CC1([C@@H]2CO[C@@H](CN=[N+]=[N-])N2)CC1 1912183690 SHOXMTUJYMVWOU-BQBZGAKWSA-N 182.227 1.411 10 10 ADCE C[C@H]1CC[C@@H](N)CN1CCN=[N+]=[N-] 1954209008 XKRJYGBLNDCKBO-JGVFFNPUSA-N 183.259 1.108 10 10 ADCE CC(C)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209521543 WGOBPRIEPCLIHV-YUMQZZPRSA-N 196.254 1.990 10 10 ADCE Cn1ccc2c(CCN)cccc21 70634806 YFGPFCKWPUDHRL-UHFFFAOYSA-N 174.247 1.680 10 10 ADCE Cn1ccc2ccc(C(=O)CN)cc21 82880297 LHKHXEPLGFMNAX-UHFFFAOYSA-N 188.230 1.320 10 10 ADCE N[C@@H](c1ccc(O)c(O)c1O)C1CC1 95659958 ZURNYTSCKQUNHS-MRVPVSSYSA-N 195.218 1.213 10 10 ADCE CN(C)[C@H](CCO)c1ccccc1O 107554429 JKQWYHZTDHIKNL-SNVBAGLBSA-N 195.262 1.377 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN(C=O)C1 147535787 SZKIEBFYOUZWKA-SSDOTTSWSA-N 168.200 1.165 10 10 ADCE Oc1ccc(CF)cc1O 148302490 YWLMINFIWTYZFG-UHFFFAOYSA-N 142.129 1.567 10 10 ADCE CNCc1cc(SC)ccc1O 212037735 NTFYQAFIYAIVJK-UHFFFAOYSA-N 183.276 1.834 10 10 ADCE Cc1cc(O)c([C@@H](N)CCO)cc1F 214159109 AYRKEJFYTJOPPC-VIFPVBQESA-N 199.225 1.222 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@]1(O)C(=O)O 215881567 RJYPPVHFHOYCOZ-IYSWYEEDSA-N 185.183 1.055 10 10 ADCE OCc1sc2cc(O)ccc2c1O 306645725 FHTIORNTFLDQHT-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H]2CC[C@H](C1)N2 306822711 REITZFDNLDCJKN-KVSKUHBBSA-N 152.201 1.580 10 10 ADCE C[C@H]1/C(=C/O)C(=O)O[C@@H]1C 307450046 NUSZIUPLMHUMPN-QDARXRDQSA-N 142.154 1.010 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@H]1CCC[C@@H]1O 708216257 OGBKBEJMDCXMQA-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE NCC1(Cc2ccc(O)c(O)c2)CC1 1535861020 RRSAJINRORVLHP-UHFFFAOYSA-N 193.246 1.379 10 10 ADCE CC1(CF)CN(CCN=[N+]=[N-])C1 1880713742 IQVDRRYGXRGHSS-UHFFFAOYSA-N 172.207 1.588 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CCC[C@@H]1C2 1881444960 FTZCBZXMPGNDDM-OCAPTIKFSA-N 166.228 1.924 10 10 ADCE CC(=O)C(=O)[C@H](O)CCC[C@H]1C[C@H]1C 1890516103 HKKTTYPYVWPFEW-FKTZTGRPSA-N 198.262 1.332 10 10 ADCE CC[C@]1(O)CCN(CCCN=[N+]=[N-])C1 1912168576 DZCNEYSPPAZEIT-VIFPVBQESA-N 198.270 1.534 10 10 ADCE CCN[C@@H](CO)c1ccccc1O 1929439205 QSTASNBQHWXHSL-VIFPVBQESA-N 181.235 1.035 10 10 ADCE C[C@H]1CNC[C@@H](CN=[N+]=[N-])C1 1953339751 SDOHJHZDPYFFFQ-RQJHMYQMSA-N 154.217 1.542 10 10 ADCE COCC12COC(CN=[N+]=[N-])(C1)C2 1954438506 PJRGSDASDPOFII-UHFFFAOYSA-N 183.211 1.492 10 10 ADCE Cc1cc(C)c2c(c1O)[C@H](N)CC2 26162456 JEWKHFBKGQBOIF-SECBINFHSA-N 177.247 1.955 10 10 ADCE Cn1ccc2ccc([C@@H](O)CN)cc21 82390341 HWCOXFGGWPFSGL-NSHDSACASA-N 190.246 1.170 10 10 ADCE Cc1cc(O)c(CN(C)O)cc1C 82873766 YUNOKHQWGIRWER-UHFFFAOYSA-N 181.235 1.830 10 10 ADCE CNCCc1ccc2ccn(C)c2c1 82880656 ZXZUQOHLPAQJRE-UHFFFAOYSA-N 188.274 1.940 10 10 ADCE CCc1cc(O)c(O)cc1N 90415444 KEEHKYSRRITLTA-UHFFFAOYSA-N 153.181 1.242 10 10 ADCE Cc1ccc(O)c([C@@H]2COC(=O)N2)c1 95686117 UPPGCVFJTWBIAG-QMMMGPOBSA-N 193.202 1.482 10 10 ADCE CC[C@@H](O)Cc1ccc(N)cc1 200036593 CWQPGMGVDIJLSE-SNVBAGLBSA-N 165.236 1.582 10 10 ADCE Cc1nc2ccc(CN)c(O)c2o1 214177034 YGXOMPOJQRSQNJ-UHFFFAOYSA-N 178.191 1.301 10 10 ADCE Oc1cccc2c1CNCCC2(F)F 219903522 AGZUCYYKMGUPKH-UHFFFAOYSA-N 199.200 1.977 10 10 ADCE CC(C)c1cc(C(=O)O)cc(O)c1O 224701887 COYWAWYSTQDTPR-UHFFFAOYSA-N 196.202 1.919 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2C[C@@H](N)[C@@H]2C1 675068472 ACYNMKKKJUISMJ-WCTZXXKLSA-N 166.228 1.670 10 10 ADCE C[C@H]1Cc2ccc(O)c(O)c2N1 713786378 YWDUZQQQHBXJIX-YFKPBYRVSA-N 165.192 1.454 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cc(F)ccn1 1535775037 UHZGDMFWJZOAKA-ZETCQYMHSA-N 182.158 1.564 10 10 ADCE Cn1cccc1CN=[N+]=[N-] 1535846034 IZLZWCJHUVOJIE-UHFFFAOYSA-N 136.158 1.835 10 10 ADCE Nc1ncc(-c2ccc(O)c(O)c2)o1 1535865385 DBWPUNMIQAXLTE-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE [N-]=[N+]=N[C@@H](CO)C1CC(F)(F)C1 1536095610 MVRAYJALKQREDT-YFKPBYRVSA-N 177.154 1.703 10 10 ADCE CCN1C[C@@H]2C[C@H]1CN2CCN=[N+]=[N-] 1887156531 YZDBJMBEHKALIY-IUCAKERBSA-N 195.270 1.075 10 10 ADCE CC[C@H](O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912148990 AFDRTNQQFNNZCA-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE CCN(C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912174852 FHVBMNZUCRIPHB-ZETCQYMHSA-N 197.242 1.443 10 10 ADCE Nc1ccc(Nc2nc[nH]n2)cc1 1912341219 YGZAVDPRRYIEQI-UHFFFAOYSA-N 175.195 1.131 10 10 ADCE Cn1ccnc1C=C1CNC(C)(C)C1 1934253371 YGYOXIIBDHLWPB-UHFFFAOYSA-N 191.278 1.575 10 10 ADCE C[C@@H]1C[C@@]1(N)c1cc(F)ccc1O 1951733144 WYAUBIRHZSDPOX-LDWIPMOCSA-N 181.210 1.725 10 10 ADCE [N-]=[N+]=NCC(F)(F)CCN 2080984022 OJWXIPMCHKPFGI-UHFFFAOYSA-N 150.132 1.281 10 10 ADCE C[C@@H]1OC(=O)/C(=C/O)[C@H]1C 100208758 NUSZIUPLMHUMPN-VQGVXZSJSA-N 142.154 1.010 10 10 ADCE C[C@H]1COC[C@H](c2ccccc2O)N1 108302909 VLQZTKKHVZBEBS-WCBMZHEXSA-N 193.246 1.442 10 10 ADCE CCCOC(=O)CN=[N+]=[N-] 108412426 YYTFRBWUTXWSOG-UHFFFAOYSA-N 143.146 1.250 10 10 ADCE CC[C@H]1CCCC(=O)C1=O 196637170 JZNBXVRETDUASL-LURJTMIESA-N 140.182 1.335 10 10 ADCE CCc1cc(CN)c(O)cc1O 213901454 YFVHRGRTGSBGLT-UHFFFAOYSA-N 167.208 1.119 10 10 ADCE CC1(NCc2cccc(O)c2O)CC1 228833611 ZBKXNQXXLNACCN-UHFFFAOYSA-N 193.246 1.740 10 10 ADCE CC(C)(C)OC(=O)[n+]1ccccc1 238101791 YMDMLHNWPBWYCH-UHFFFAOYSA-N 180.227 1.757 10 10 ADCE C[C@H]1CCC(C)(C)C(=O)C(=O)C1 238478318 KWNCYDRKKNQLAW-ZETCQYMHSA-N 168.236 1.971 10 10 ADCE C[C@@H]1CN[C@@H](c2ccccc2O)O1 258614172 QYWSTPXMUJODKZ-GMSGAONNSA-N 179.219 1.399 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CC[C@H]2O[C@@H]12 307343526 LRWZXCJBWWNMLU-PBXRRBTRSA-N 137.142 1.393 10 10 ADCE CC[C@@H](Nc1ccc(N)cc1)[C@@H](C)O 307587013 RRWIXMYKEGICCX-LDYMZIIASA-N 194.278 1.840 10 10 ADCE CO[C@]1(C)CCN(CCN=[N+]=[N-])C1 379345355 CGFHPZPIFOVCEU-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CO[C@@H]1C[C@H]1NCc1ccccc1O 1887328842 LPCHBXANJJHFIC-MWLCHTKSSA-N 193.246 1.269 10 10 ADCE CC(C)N1CC[C@H](N=[N+]=[N-])C1 1912144914 YLDWUPRZFHOKRW-ZETCQYMHSA-N 154.217 1.779 10 10 ADCE CC1(C)COC[C@H](N=[N+]=[N-])[C@H]1O 1912154628 CVKKHUYKOATSTM-NTSWFWBYSA-N 171.200 1.083 10 10 ADCE CNCC=Cc1ccc(O)c(O)c1O 1951521700 KZNNXIKKJGHZPS-UHFFFAOYSA-N 195.218 1.036 10 10 ADCE CNC[C@H]1CCCN(CCN=[N+]=[N-])C1 1957248025 ZTDAQSRCYFCYFQ-SECBINFHSA-N 197.286 1.228 10 10 ADCE Cc1nn(C)c(C)c1CCN=[N+]=[N-] 26546943 QUJFHKPGPBDAFG-UHFFFAOYSA-N 179.227 1.890 10 10 ADCE CC[C@H](O)c1cccc(O)c1CN 49180600 WHINJPVFVNEWJP-VIFPVBQESA-N 181.235 1.294 10 10 ADCE NCCCCCc1ccc(O)c(O)c1 74244246 QYYSBFNKGFNWKD-UHFFFAOYSA-N 195.262 1.769 10 10 ADCE C[C@@H]1CN(C)c2ccc(CN)cc2O1 74337344 WSSKSPQWJAIEPK-MRVPVSSYSA-N 192.262 1.362 10 10 ADCE [N-]=[N+]=NCCCNC(=O)N1CCCC1 85961793 OCXCVCONPAFDOB-UHFFFAOYSA-N 197.242 1.492 10 10 ADCE CCc1ccc([C@H](N)[C@@H](C)O)c(O)c1 95783200 JJDBYWDAZKOCSX-RDDDGLTNSA-N 195.262 1.335 10 10 ADCE Oc1ccccc1[C@@H]1C[C@H](F)CN1 219583234 SXEZDQFICWRUHB-CBAPKCEASA-N 181.210 1.765 10 10 ADCE C[C@H](CC(=O)O)Cc1ccc(N)cc1 224986027 ABQVJXAXPJOPRW-QMMMGPOBSA-N 193.246 1.922 10 10 ADCE CC[C@H](N)c1cc(O)cs1 238314070 PMKWIJSQHNOEOL-LURJTMIESA-N 157.238 1.864 10 10 ADCE O=C1C(=O)[C@@H]2C[C@H]3CC[C@H]1C[C@H]2C3 238677777 ZBUPFNVNSSWMBJ-RBXMUDONSA-N 178.231 1.581 10 10 ADCE CCOc1ccc(CNCO)cc1C 258879486 HURSXGLENDRNQS-UHFFFAOYSA-N 195.262 1.433 10 10 ADCE CC(=O)[C@@H]1C[C@H](CN=[N+]=[N-])O[C@H]1C 306193098 DIHTUFQQQXYJGY-RNJXMRFFSA-N 183.211 1.679 10 10 ADCE NCc1cc(F)c(N2CCC2)c(F)c1 306295007 FZQURFWJWIVGSM-UHFFFAOYSA-N 198.216 1.634 10 10 ADCE CCCCN1C[C@H](N=[N+]=[N-])C[C@H]1CO 379339975 IRRGTDHBMFALJE-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC[C@H]1C(=O)CCN1C1CC1 712072090 ZSDONDSCUKBJJK-ZETCQYMHSA-N 180.211 1.103 10 10 ADCE C[C@@H]1N[C@H](CN=[N+]=[N-])O[C@@H]1C 885255542 OQIOJLQTPMMVGV-JKUQZMGJSA-N 156.189 1.020 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H]1CCCOC1 1535776399 QUXXWXDTFWQKHE-RQJHMYQMSA-N 171.200 1.084 10 10 ADCE C[C@@](N)(c1ccccc1O)C(F)F 1536106969 MUIJPEVVVSCLAW-SECBINFHSA-N 187.189 1.831 10 10 ADCE CC[C@@H](CO)Cc1ccc(O)c(O)c1 1885071733 DEPUBVYGAGCZRK-MRVPVSSYSA-N 196.246 1.659 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1CCOC1 1888590278 ONVQKGMNACDJEJ-VIFPVBQESA-N 198.270 1.655 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@H]2CCCC[C@@H]21 1929219376 AMSFOMGIQBYJPM-YWVKMMECSA-N 196.246 1.086 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])CC1(F)F 1954355069 LLNYRXANHMPFGD-ZCFIWIBFSA-N 190.197 1.884 10 10 ADCE Nc1sc(C(F)F)cc1O 2080409291 BQETWDFNEMCLPJ-UHFFFAOYSA-N 165.164 1.974 10 10 ADCE Cc1ncc(F)c(=O)n1CCN=[N+]=[N-] 2210069859 TXJBQFCOEXSNCA-UHFFFAOYSA-N 197.173 1.001 10 10 ADCE C[C@@H]1Cc2cc(O)c(O)cc2C=N1 38173870 VCJDVPRKYCNNOU-ZCFIWIBFSA-N 177.203 1.461 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCN(C)C1 70822986 ZSFZDPYXXHXDIB-SECBINFHSA-N 197.286 1.180 10 10 ADCE Cc1ccc(N)c(O)c1CN(C)C 82872845 VQTZUUOASJMSQC-UHFFFAOYSA-N 180.251 1.344 10 10 ADCE [N-]=[N+]=NCC(=O)CN=[N+]=[N-] 100478793 JAPHUDGGAZXZHN-UHFFFAOYSA-N 140.106 1.176 10 10 ADCE CC[C@H](N=[N+]=[N-])C(=O)O 103730373 RQDKNFDEXBVLPV-VKHMYHEASA-N 129.119 1.160 10 10 ADCE Cc1ccc(O)c([C@H](N)CCO)c1C 108305149 OIUCUCZCXUOPAC-SECBINFHSA-N 195.262 1.391 10 10 ADCE CC[C@H](O)Nc1ccc(N)cc1 113849310 YBACFLGULMZMOV-VIFPVBQESA-N 166.224 1.409 10 10 ADCE CC[C@@H](N=[N+]=[N-])C(C)=O 196138982 DTYGFQFTTILKOK-RXMQYKEDSA-N 127.147 1.664 10 10 ADCE CC1(C)CO[C@](C)(N=[N+]=[N-])O1 238235552 LDFUAKYSYZNTTR-LURJTMIESA-N 157.173 1.796 10 10 ADCE Cc1cc(F)c2c(c1)C(=O)C(=O)C2 238540079 NXDXXTZEYJGRNA-UHFFFAOYSA-N 178.162 1.442 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H](O)[C@@H](N=[N+]=[N-])C1 238698156 AANHVVCKXVBVAS-ZLUOBGJFSA-N 182.187 1.889 10 10 ADCE CCC(=O)C(=O)[C@H]1CCCCN1C 306676270 VSEJWPKRJKZNFS-MRVPVSSYSA-N 183.251 1.019 10 10 ADCE NC(=O)/C(=C/O)Sc1ccccc1 306835549 RLVZTJJHVKANHS-VURMDHGXSA-N 195.243 1.663 10 10 ADCE C[C@@]12CC[C@@H](C(=O)C1=O)[C@@]2(C)CF 306863629 KHUFCPKPXLUBDJ-WQGWLQIFSA-N 184.210 1.530 10 10 ADCE NCc1ccc(N2CCC2)c(F)c1 307023658 VPAPMCUHIHWRQE-UHFFFAOYSA-N 180.226 1.495 10 10 ADCE CN1CC[C@H](N(C)CCCN=[N+]=[N-])C1 379646489 YONVNSNNVBBWAJ-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CCC[C@@H]1C/C(=C/O)C(=O)O1 382636294 OWZUSWZMWFAKOR-KXTMECRCSA-N 156.181 1.544 10 10 ADCE C[C@H]1Cc2c(ccc(O)c2O)N1 713728346 LADXXDXBGNLELB-YFKPBYRVSA-N 165.192 1.454 10 10 ADCE C[C@H]1CO[C@@H](c2ccc(O)c(O)c2)N1 953005304 MFFUJGWJHPJAMF-WKEGUHRASA-N 195.218 1.105 10 10 ADCE OCc1cnc(SC2CC2)s1 1880201224 XHBFVCTWYXRNPF-UHFFFAOYSA-N 187.289 1.890 10 10 ADCE C[C@@H](CN(C)CCN=[N+]=[N-])N(C)C 1881992720 NTIMLKJIUDTVEM-QMMMGPOBSA-N 185.275 1.179 10 10 ADCE C[C@H](CCN)Oc1ccc(N)cc1 1883787048 UVDSFYVRZKDVEN-MRVPVSSYSA-N 180.251 1.385 10 10 ADCE CCC[C@@H](N)Cc1ccc(O)c(O)c1 1885166819 MDXHTIHOXSDPJL-SECBINFHSA-N 195.262 1.768 10 10 ADCE CNC(C)(C)COc1ccc(N)cc1 1896302900 MJBCYZBALFXUMV-UHFFFAOYSA-N 194.278 1.646 10 10 ADCE CN(C)C(=O)N1CCC(N=[N+]=[N-])CC1 1912163809 OBVXMFDZVIHOPB-UHFFFAOYSA-N 197.242 1.443 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@@H]1F 1912165451 KYCKGCRMSXXQGI-YUMQZZPRSA-N 186.234 1.977 10 10 ADCE CC(C)OCCN1CC(N=[N+]=[N-])C1 1912170241 UVKTUBDJICCUGD-UHFFFAOYSA-N 184.243 1.406 10 10 ADCE CN[C@H](CF)c1ccc(C)cc1O 1952574018 MXLVHVHHPKPDPS-SECBINFHSA-N 183.226 1.931 10 10 ADCE Cc1cn(C)c(C2=CC[C@H](N)CC2)n1 1954993498 TVKXJMGDIFZKFQ-JTQLQIEISA-N 191.278 1.623 10 10 ADCE CO[C@H]1C=CCN(CCCN=[N+]=[N-])C1 1956282154 XIKJHUCKTIFVCN-VIFPVBQESA-N 196.254 1.574 10 10 ADCE C[C@H]1CC[C@H]1C(=O)NCCN=[N+]=[N-] 2209287574 JHPRWDMCTUJOTC-NKWVEPMBSA-N 182.227 1.459 10 10 ADCE [N-]=[N+]=NC[C@@H](O)COc1ccccc1 4071895 ZWUXAZDVDTZWFW-MRVPVSSYSA-N 193.206 1.737 10 10 ADCE CCNC(=O)N(C)c1ccc(N)cc1 36949198 USZHZJJXICOJAT-UHFFFAOYSA-N 193.250 1.435 10 10 ADCE Cc1cc(C(=O)NCCN=[N+]=[N-])no1 42012480 SIFUAOSOFMHQGT-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE CN(C)c1ccc(O)c(O)c1 82033124 TVQYHGQVWWGACT-UHFFFAOYSA-N 153.181 1.164 10 10 ADCE Cc1cc(C)c(O)c(CNO)c1 82852662 WISQDHSKQZKHMS-UHFFFAOYSA-N 167.208 1.488 10 10 ADCE CNCc1ccc2[nH]c(C)cc2c1O 82888076 PSRIQCMSARLTLD-UHFFFAOYSA-N 190.246 1.901 10 10 ADCE NCc1cc2c(cc1O)OCCCO2 84250512 TZPXPWCRNIAJNQ-UHFFFAOYSA-N 195.218 1.012 10 10 ADCE O=C(O)/C(F)=C/c1ccc(O)c(O)c1 86722760 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[N-]=[N+]=N[C@H](C(=O)O)C1CCCC1 147304542 VAVPIYLYUITNCR-LURJTMIESA-N 169.184 1.940 10 10 ADCE C[C@@H](CO)SCCCN=[N+]=[N-] 162688922 SAKMEIRPAZKGBD-LURJTMIESA-N 175.257 1.801 10 10 ADCE COc1c(C)cc([C@H](C)N)c(O)c1F 214977425 YNKZXCGVQWLFAH-LURJTMIESA-N 199.225 1.868 10 10 ADCE CC(C)C[C@@H](N=[N+]=[N-])[C@H](O)CO 238142228 FVMDGEWRMDVXFK-RNFRBKRXSA-N 173.216 1.065 10 10 ADCE CC(C)(N)c1cc(O)ccc1O 238151073 JESZZOLAHHBGKW-UHFFFAOYSA-N 167.208 1.292 10 10 ADCE CO[C@]1(CCCN=[N+]=[N-])C=CC(=O)O1 238382400 GVNYLVSUTYTGCL-QMMMGPOBSA-N 197.194 1.533 10 10 ADCE Nc1cc(C(F)F)c(O)nc1O 238633346 SUPLUJJVKHVABE-UHFFFAOYSA-N 176.122 1.013 10 10 ADCE N[C@@H](c1c(O)cccc1O)C1CC1 238657105 UDGYWINNHGFGGF-SNVBAGLBSA-N 179.219 1.508 10 10 ADCE [N-]=[N+]=NC[C@@H]1CO[C@H]2OCCC[C@H]12 306286484 XLUFRVIJYSAHOQ-BWZBUEFSSA-N 183.211 1.696 10 10 ADCE CN(CCCN=[N+]=[N-])CC1(N)CC1 1882048087 YAXAELMLEIJMJL-UHFFFAOYSA-N 183.259 1.110 10 10 ADCE CC[C@H]1CNC[C@H]1N=[N+]=[N-] 1892867328 QWSPMFULLJCLIU-NTSWFWBYSA-N 140.190 1.295 10 10 ADCE CSC[C@@H](NN)c1ccccc1O 1928480962 PSOZLWDIOXBFJM-MRVPVSSYSA-N 198.291 1.260 10 10 ADCE CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209005647 VFEGOOLLUYKWGN-BQBZGAKWSA-N 168.200 1.354 10 10 ADCE [N-]=[N+]=NCC[S@](=O)C1C[C@H]2C[C@@H]2C1 2241690492 RWWQGQBAHGQNJK-FWXDICJISA-N 199.279 1.844 10 10 ADCE CN(C)/N=N/c1cccc(CO)c1 34638698 HWVTYSOZZKUWGJ-ZHACJKMWSA-N 179.223 1.739 10 10 ADCE COc1cccc(O)c1[C@@H](N)C1CC1 95684942 AUBPDFOIVNMCRS-NSHDSACASA-N 193.246 1.811 10 10 ADCE [N-]=[N+]=CC(=O)c1ccc(F)c(Cl)c1 106876358 ZTRFPCJPDHZSTC-UHFFFAOYSA-N 198.584 1.962 10 10 ADCE C[C@@H](NN(C)C)c1ccccc1O 134205488 PNMHJYKPJFHUEA-MRVPVSSYSA-N 180.251 1.519 10 10 ADCE CCOc1cccc(O)c1CN 212279983 QKJWSQHTOHSHTK-UHFFFAOYSA-N 167.208 1.250 10 10 ADCE C[C@@H]1CCN[C@@H](c2ccccc2O)N1 238433944 QYUKOTSAMODLOL-LDYMZIIASA-N 192.262 1.362 10 10 ADCE COCOC/C=C\CCN=[N+]=[N-] 394915628 MORFMWQHOLMWGD-RQOWECAXSA-N 171.200 1.864 10 10 ADCE Cc1cc([C@@H](CO)N=[N+]=[N-])no1 1535852632 VCYWSGWVJANKNX-ZCFIWIBFSA-N 168.156 1.327 10 10 ADCE [N-]=[N+]=N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1O 1880457387 WXDGGYCYNUHHKU-ZTYPAOSTSA-N 153.185 1.456 10 10 ADCE Nc1ccc(OC2CC(N)C2)cc1 1883786110 JDRBDEJRRVGHCO-UHFFFAOYSA-N 178.235 1.137 10 10 ADCE [N-]=[N+]=NCCCNC(=O)CC(F)F 1883827537 VQRNNLFAYKSVJW-UHFFFAOYSA-N 192.169 1.458 10 10 ADCE CC(C)C[C@H](N)[C@@H](O)CN=[N+]=[N-] 1912159640 KNZLTWLIDFJWCC-BQBZGAKWSA-N 172.232 1.031 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CC2CC2)C1 1912169429 KLRTVXQALCMSFY-QMMMGPOBSA-N 166.228 1.781 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)NC2CC2)C1 1912170146 SWBZYHDEQXNXIL-SSDOTTSWSA-N 195.226 1.243 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@@H]2CCOC[C@@H]21 1912183128 LKVHUJPJDRQGBD-XVMARJQXSA-N 153.185 1.579 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@H](C)C1 1929129304 HJFWIMOFQOQSHF-XVKPBYJWSA-N 184.235 1.086 10 10 ADCE CC(=O)C(=O)c1cc(C)ccc1F 1951322702 SKNNMNIFWXHERC-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE C[C@]1(c2c(O)cccc2O)CCN1 1952217273 FCKRYCWWADHCJM-SNVBAGLBSA-N 179.219 1.306 10 10 ADCE CN[C@@H](CF)c1ccc(C)cc1O 1952574019 MXLVHVHHPKPDPS-VIFPVBQESA-N 183.226 1.931 10 10 ADCE COC[C@@H](N)c1cc(C)c(C)cc1O 1952770020 GNGUYYKGKXVLRI-SNVBAGLBSA-N 195.262 1.655 10 10 ADCE Oc1cc(F)ccc1[C@@H]1NCC[C@@H]1F 1952830291 UXCPZSMYKQWZCX-WPRPVWTQSA-N 199.200 1.904 10 10 ADCE Oc1cccc([C@H]2C[C@H](F)CN2)c1O 1952878331 FJQVTNOEZWNEHH-POYBYMJQSA-N 197.209 1.470 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cccnn1 1953230735 KGIZCOBBGSHODJ-RXMQYKEDSA-N 149.157 1.848 10 10 ADCE [N-]=[N+]=NC1CN([C@H]2C[C@@H]3C[C@@H]3C2)C1 1954732342 FJRGMBJWCAMRAK-SRSLHRDFSA-N 178.239 1.779 10 10 ADCE CC[C@@H](N)CN(CC)CCCN=[N+]=[N-] 1957243748 HJTQIXWFAHWOOE-SECBINFHSA-N 199.302 1.746 10 10 ADCE CC(=O)C(=O)c1ccccc1C 34410134 NSDHSKBWBUOUAK-UHFFFAOYSA-N 162.188 1.767 10 10 ADCE Cc1nnc(SCCN=[N+]=[N-])n1C 71108287 PUHKWICWCXOIAC-UHFFFAOYSA-N 198.255 1.526 10 10 ADCE CC(C)(C)OC[C@@H](N=[N+]=[N-])C(=O)O 103619719 ZRRGVYBPSOHLJT-RXMQYKEDSA-N 187.199 1.565 10 10 ADCE O=C1c2ccccc2C(=O)[C@@H]2C[C@@H]12 169540362 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C[C@H]1COC(C)(C)CN1CCN=[N+]=[N-] 2241570136 FJIHFUPUKUKMTD-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE N=Nc1ccc2[nH]c(=O)[nH]c2c1 39133066 DKYHFQACNFRAEK-UHFFFAOYSA-N 162.152 1.519 10 10 ADCE CC1(C)CN(c2ccc(CN)cc2)C1 86681705 VZZNKAQKNHIPLG-UHFFFAOYSA-N 190.290 1.992 10 10 ADCE [N-]=[N+]=N[C@H]1CCO[C@]2(CCOC2)C1 86905954 BWRGXWWDDQIRNO-JGVFFNPUSA-N 183.211 1.635 10 10 ADCE CC(=O)O[C@H]1CCOC[C@@H]1N=[N+]=[N-] 238095806 HOEICQQUUCHUHW-BQBZGAKWSA-N 185.183 1.017 10 10 ADCE C[C@@H]1C[C@H](N=[N+]=[N-])C[C@@H]1N 238453790 PRIHAPLJAISSNB-SRQIZXRXSA-N 140.190 1.423 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])[C@H](C)[C@@H](C)F 238801194 WNSSGNRSCDWSEL-HSUXUTPPSA-N 189.190 1.832 10 10 ADCE CCOc1cccc(O)c1CNOC 258021508 IDJGQRCOQXSXGC-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE Cc1cc([C@@H](C)O)c(F)c(O)c1O 258061834 LMEAISCZWDURCA-RXMQYKEDSA-N 186.182 1.599 10 10 ADCE c1cc2c(cc1N1CCC1)CNCC2 687802964 SKFIBKVUXSGLNE-UHFFFAOYSA-N 188.274 1.542 10 10 ADCE [N-]=[N+]=NCCN1CC(C(F)F)C1 707046244 OXLUBGUQZZCKLM-UHFFFAOYSA-N 176.170 1.494 10 10 ADCE CC(C)(C)[C@@H]1CN[C@H](CN=[N+]=[N-])O1 885458600 XKAOCTLRBMDHNA-BQBZGAKWSA-N 184.243 1.657 10 10 ADCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CCC[C@H]1C2 1906787224 WYWDPFCBSGTNOS-ATZCPNFKSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(Cc2ccon2)C1 1912204953 CUVAQENTOZARHN-ZETCQYMHSA-N 193.210 1.559 10 10 ADCE C[C@@H](N)[C@H](N=[N+]=[N-])C(F)(F)F 1953325274 LBVYIERIZYTNBB-GBXIJSLDSA-N 168.122 1.575 10 10 ADCE COC1(CNc2ccc(N)cc2)CC1 1954989647 WIGXMWCDECHZAA-UHFFFAOYSA-N 192.262 1.860 10 10 ADCE CC(C)(O)[C@H]1CNc2ccccc2N1 2209640677 ZFUCNBPWXUQWAP-SNVBAGLBSA-N 192.262 1.664 10 10 ADCE C[C@@H]1NCCc2ccc(O)c(O)c21 14723165 ZGMORAIVFRLFQJ-LURJTMIESA-N 179.219 1.305 10 10 ADCE CN(C)/N=N/c1cccnc1C(=O)O 39084046 ABJSYTQJFSOBIO-ZHACJKMWSA-N 194.194 1.340 10 10 ADCE CCN(C)CCNc1ccc(N)cc1 54111849 WQJUCSUTLIXSQV-UHFFFAOYSA-N 193.294 1.632 10 10 ADCE Nc1cc(F)cc([C@H](N)C2CC2)c1O 95717165 NNWOTEMKNAQLTJ-SECBINFHSA-N 196.225 1.523 10 10 ADCE OC[C@H]1CN[C@@H](c2ccccc2O)C1 108340985 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CN(O)N=Nc1ccc(C(N)=O)cc1 308278361 TZAVKUPEOLJMDE-UHFFFAOYSA-N 194.194 1.105 10 10 ADCE C[C@H]1C[C@@H](O)CN1CCCN=[N+]=[N-] 384853674 CERNDCKWYDJGJT-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@]2(CCCNC2)CO1 536956792 BSUNBKCCZWFBAO-DTWKUNHWSA-N 196.254 1.455 10 10 ADCE C[C@@H]1COC[C@H]1Nc1ccc(N)cc1 699499344 GREYNXDAYUCRPW-LDYMZIIASA-N 192.262 1.716 10 10 ADCE C[C@@H](CN)COc1ccc(N)cc1 1883788683 WOAXJSYLJSUKHD-QMMMGPOBSA-N 180.251 1.242 10 10 ADCE N[C@@H](CC1COC1)c1ccccc1O 1884439150 KFUFSLIVXRXKJQ-JTQLQIEISA-N 193.246 1.429 10 10 ADCE CN1CCC[C@@H](N=[N+]=[N-])C1 1912190319 BWOSRKVRMBTXQQ-ZCFIWIBFSA-N 140.190 1.391 10 10 ADCE O=C(O)C(O)=Cc1ccc(O)c(O)c1 1927732270 LEVWXDHUVBDUSV-UHFFFAOYSA-N 196.158 1.081 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1ccc(C)cc1 1929120615 WMEJNZNMJLYDHK-NSHDSACASA-N 192.214 1.187 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1ccccc1N 1954081309 MPCAJKOPSSCRIE-MRVPVSSYSA-N 178.195 1.613 10 10 ADCE CCCN=c1ccc(CN=[N+]=[N-])n[nH]1 1956285779 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[N-]=[N+]=N[C@@H]1CCC[C@@H]2OC(=O)N[C@H]21 307271879 CNZJBPUKZPBTQT-SRQIZXRXSA-N 182.183 1.326 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCC[C@H]1O 689758506 WGJMGAVHFPTFBY-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1C[C@@H](O)C1 703903691 SDVQNQHEOBKASG-DTORHVGOSA-N 198.270 1.390 10 10 ADCE C[C@@H]1N[C@@H](CN=[N+]=[N-])O[C@@H]1C 885255544 OQIOJLQTPMMVGV-KVQBGUIXSA-N 156.189 1.020 10 10 ADCE Cc1cc([C@H](CO)N=[N+]=[N-])ccn1 1535671132 QUBNJRCCSOOLSS-QMMMGPOBSA-N 178.195 1.734 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@H](N)C2)cc1 1888922351 CQIUSCUKIATGHO-GXSJLCMTSA-N 191.278 1.561 10 10 ADCE C[C@@H](N1CC[C@@H](N=[N+]=[N-])C1)C(C)(C)O 1893646212 CZUSIDFFRSARBX-HTQZYQBOSA-N 198.270 1.530 10 10 ADCE CN(CCF)CCc1ccc(N)cc1 1916506595 SGEDTURCJLBSOQ-UHFFFAOYSA-N 196.269 1.713 10 10 ADCE Nc1ccccc1N[C@H](CO)C1CC1 1930720155 AXMKRPSUAOKLDF-LLVKDONJSA-N 192.262 1.452 10 10 ADCE Nc1ccc(COc2nnco2)cc1 1956358283 PGJBKTPAMNVFBM-UHFFFAOYSA-N 191.190 1.231 10 10 ADCE C[C@@H]1C[C@@H](Oc2ccc(N)cc2)CO1 1956932434 UCYPHLXFBXKBLR-LDYMZIIASA-N 193.246 1.825 10 10 ADCE CCCOC(=O)CC(C)=S 5835259 JNVSRTGPXASFKW-UHFFFAOYSA-N 160.238 1.720 10 10 ADCE Oc1ccc(S)cc1O 26479313 HTNBBGMFIFDMFW-UHFFFAOYSA-N 142.179 1.387 10 10 ADCE [N-]=[N+]=NCC1(CN=[N+]=[N-])COC1 39274669 GOPVUFFWLXPUBM-UHFFFAOYSA-N 168.160 1.624 10 10 ADCE C[C@H](OCc1ccc(N)cc1)C(=O)O 43623507 ABKINQMVTRFXMY-ZETCQYMHSA-N 195.218 1.259 10 10 ADCE Oc1ccc([C@H]2CCN2)cc1O 44257439 SVBPIKHBDCLYRI-SSDOTTSWSA-N 165.192 1.132 10 10 ADCE [N-]=[N+]=NCCC(=O)c1ccccn1 75457500 KBLXGAUYENKIEP-UHFFFAOYSA-N 176.179 1.965 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1C 86011433 NJIOZRUBBWXURK-OCAPTIKFSA-N 168.244 1.885 10 10 ADCE CCOc1cccc([C@@H](C)N)c1O 95669082 GQZZZBBJGMGNGY-SSDOTTSWSA-N 181.235 1.811 10 10 ADCE NCc1c(O)ccc2ccc(O)cc12 108300260 AIEYKJXAMFPWJS-UHFFFAOYSA-N 189.214 1.710 10 10 ADCE C[C@@H](NO)c1ccccc1O 132048009 BBCQXVMZDCKUNM-ZCFIWIBFSA-N 153.181 1.432 10 10 ADCE C[C@H](NN(C)C)c1cc(O)ccc1O 134102966 JDNPPXIPXFNVEI-ZETCQYMHSA-N 196.250 1.225 10 10 ADCE CN[C@@H](C)c1cc(C)cc(OC)c1O 211760512 QQEVJIPBRKWMLX-QMMMGPOBSA-N 195.262 1.990 10 10 ADCE C[C@@H](O)c1ccc(F)c(O)c1O 212506869 ZUYGGSCREQIGFY-SCSAIBSYSA-N 172.155 1.290 10 10 ADCE COc1cccc2c1/C(=C\O)C(=O)N2 213758145 IIELFKCNMRAETJ-AATRIKPKSA-N 191.186 1.546 10 10 ADCE CN(C)C(=O)NCC(C)(C)CN=[N+]=[N-] 231461991 CCZPDHYVSCKJEG-UHFFFAOYSA-N 199.258 1.594 10 10 ADCE CCN(CC)CCOCCN=[N+]=[N-] 238246356 BQDFDHKKSJJINS-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE CC[C@@H](N)c1cc(O)c(C)cc1O 238276009 PEKCZUXGSOOJCS-MRVPVSSYSA-N 181.235 1.816 10 10 ADCE COC(OC)[C@H]1OCC[C@@H]1N=[N+]=[N-] 238352261 KYEVXMXACWJYIA-WDSKDSINSA-N 187.199 1.073 10 10 ADCE CN[C@H](CO)c1cc(C)cc(C)c1O 238359292 OZNHPAUKLLMHSF-SNVBAGLBSA-N 195.262 1.262 10 10 ADCE N[C@@H]1CCOc2ccc(Cl)c(O)c21 238622310 UDZMIMFUSNBMTP-ZCFIWIBFSA-N 199.637 1.828 10 10 ADCE Nc1ccc(Cn2cc(N)cn2)cc1 238643657 FYVIPPWEMTZCOA-UHFFFAOYSA-N 188.234 1.096 10 10 ADCE ONCc1c(Cl)ccc(F)c1O 258207437 YZNDFLNBOMLJMX-UHFFFAOYSA-N 191.589 1.664 10 10 ADCE Nc1ccc(O)c2c(O)csc12 306813807 HXCHVFUJIZIHGS-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CC[C@]1(CO)CC[C@@H](CN=[N+]=[N-])OC1 689183378 HASLERMDBMCOEF-DTWKUNHWSA-N 199.254 1.864 10 10 ADCE [N-]=[N+]=NC[C@H]1NCC2(CCC2)CO1 885408972 ZIIQYAPVCZEMLU-ZETCQYMHSA-N 182.227 1.413 10 10 ADCE CNCCSCCN=[N+]=[N-] 1880080047 FSPSIFYOWSKAOW-UHFFFAOYSA-N 160.246 1.249 10 10 ADCE C[C@H](F)CN(C)CCCN=[N+]=[N-] 1880602399 MNIPVRSJKXODCO-ZETCQYMHSA-N 174.223 1.977 10 10 ADCE Oc1ccc(CN[C@H]2C[C@H]2F)c(O)c1 1887537146 NKUQZHYMHXWSJX-BDAKNGLRSA-N 197.209 1.298 10 10 ADCE [N-]=[N+]=NC1CCN([C@H]2CC[C@H]2O)CC1 1912184203 XINHHNRHTQPRBZ-DTWKUNHWSA-N 196.254 1.284 10 10 ADCE CCC[C@](O)(CC)C(=O)C(C)=O 1929210061 ATJRGSFQRVYTEW-SECBINFHSA-N 172.224 1.086 10 10 ADCE CC1(N)CCN(CCCN=[N+]=[N-])CC1 1957245679 ZSUMPTXTNYHYLO-UHFFFAOYSA-N 197.286 1.500 10 10 ADCE CCN[C@@H](C)Cc1ccc(N)cc1 71428662 RECLAAYOQSSATR-VIFPVBQESA-N 178.279 1.809 10 10 ADCE Nc1ccc(Cc2ncncn2)cc1 82529944 MVSBGFJOJUCULA-UHFFFAOYSA-N 186.218 1.045 10 10 ADCE C[C@](N)(CCCO)c1ccccc1O 95758252 JJHAEHSSLGBPTC-NSHDSACASA-N 195.262 1.339 10 10 ADCE O=C(O)[C@@H]1CCCC1=S 104724700 UCHMXSBSJAEXOC-SCSAIBSYSA-N 144.195 1.241 10 10 ADCE CN(C)Nc1ccc(N)cc1 116324182 HILLCTMVCZBDQV-UHFFFAOYSA-N 151.213 1.157 10 10 ADCE C[C@H]1OC=C[C@@](C)(O)[C@H]1N=[N+]=[N-] 138509386 JXTJQBXFKXERDL-DSYKOEDSSA-N 169.184 1.349 10 10 ADCE CC(C)(N)c1cc(F)c(F)cc1O 214473075 YACDSRCEUVMAJL-UHFFFAOYSA-N 187.189 1.864 10 10 ADCE C[C@@H]1C[C@]1(C)C(=O)NCCN=[N+]=[N-] 704353573 BCGYWBIVWBKLIU-SVRRBLITSA-N 182.227 1.459 10 10 ADCE NCc1ccc(N2CC=CCC2)cc1 723185071 GNEJZEJTJISNBW-UHFFFAOYSA-N 188.274 1.912 10 10 ADCE Cn1cccc1CCN=[N+]=[N-] 1535854020 CODDOEHGGQFWCN-UHFFFAOYSA-N 150.185 1.878 10 10 ADCE CC(=O)NCc1c(O)cccc1F 1596906288 BMICWTHNFZDFMO-UHFFFAOYSA-N 183.182 1.167 10 10 ADCE CC(C)(O)[C@H]1CCN1CCN=[N+]=[N-] 1883104418 GIGRNZNLUFIUDL-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE CCCNC(=O)N(CC)CCN=[N+]=[N-] 1887712847 RQNGRABMSKUNSS-UHFFFAOYSA-N 199.258 1.738 10 10 ADCE C[C@H](O)CCN1CCC[C@@H](N=[N+]=[N-])C1 1912208125 RFTPCMUGQXTCNQ-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE Oc1cc(F)ccc1[C@H]1NCC[C@H]1F 1952830288 UXCPZSMYKQWZCX-PSASIEDQSA-N 199.200 1.904 10 10 ADCE CN[C@H]1CCN(CCCCN=[N+]=[N-])C1 1957247701 UXGDTGHLDJSCPM-VIFPVBQESA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@@](N)(C2)C1 1957249013 HMYFYRBPWFDZMU-DTWKUNHWSA-N 195.270 1.110 10 10 ADCE COCCOCOc1ccc(N)cc1 39403801 JFZOXUYIEVQACL-UHFFFAOYSA-N 197.234 1.268 10 10 ADCE CC[S@@](=O)CCc1ccc(N)cc1 40966090 IEKWMONCQZTHSL-ZDUSSCGKSA-N 197.303 1.580 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])CCO1 42415755 RQYCYEQDZDFSHA-SSDOTTSWSA-N 170.216 1.017 10 10 ADCE CN(C)c1ccc(CN)c(F)c1F 234273132 HAJJIMIJQPOLMJ-UHFFFAOYSA-N 186.205 1.490 10 10 ADCE CC(C)C[C@H]1CCCC(=O)C1=O 238148007 RXQQLBFTICLRND-MRVPVSSYSA-N 168.236 1.971 10 10 ADCE CCCOCCOC(=O)/C(C)=C/O 238238228 ULMWARMLQPRLOF-BQYQJAHWSA-N 188.223 1.418 10 10 ADCE Cc1cc(C[C@H](C)N)cc(O)c1O 258020307 OBDVULWHJGZQFC-ZETCQYMHSA-N 181.235 1.296 10 10 ADCE [N-]=[N+]=NCCCN(CCO)CC1CC1 707931603 CMSFPTZTONTOEQ-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE CC[C@@]1(C)CO[C@H](CN=[N+]=[N-])N1 885318660 AMISGTOJJNDALN-RQJHMYQMSA-N 170.216 1.411 10 10 ADCE Nc1cccc(F)c1N[C@@H]1CC[C@@H]1O 1878139872 PWYIPOQOVISAEX-BDAKNGLRSA-N 196.225 1.343 10 10 ADCE NC[C@@H]1C[C@H]1Nc1ccccc1N 1883153375 NYWTUTXUFAEMOV-OIBJUYFYSA-N 177.251 1.028 10 10 ADCE CC[C@@H](C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912164416 ATBQUNVCUBXIFN-SFYZADRCSA-N 196.254 1.944 10 10 ADCE CC(=O)C(=O)c1ccc(Cl)o1 1951322726 UJFVWXULOWWSFF-UHFFFAOYSA-N 172.567 1.705 10 10 ADCE CC1(C)C[C@@H]1[C@H](CO)N=[N+]=[N-] 1951354698 OYYJZKLCWXVFAR-RITPCOANSA-N 155.201 1.704 10 10 ADCE C[C@H](N)[C@H](N=[N+]=[N-])c1cnn(C)c1 1954081210 LBRQJHLWGHXMNC-FSPLSTOPSA-N 180.215 1.119 10 10 ADCE C[C@]1(C(=O)NCCN=[N+]=[N-])C=CCC1 1956706893 YUUWJWYKPWSHLD-VIFPVBQESA-N 194.238 1.769 10 10 ADCE CCO[C@@H](C)c1noc(CN=[N+]=[N-])n1 1956744755 HJVRFEOBVSUXFZ-YFKPBYRVSA-N 197.198 1.977 10 10 ADCE 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190.246 1.326 10 10 ADCE CCCCNCc1ccc(O)cc1O 19906956 ONWJWSMZNXZKQL-UHFFFAOYSA-N 195.262 1.988 10 10 ADCE CCO[C@@H]1CCCN(CCN=[N+]=[N-])C1 42424637 DOBCCNLVHNCQTQ-SECBINFHSA-N 198.270 1.798 10 10 ADCE Nc1ccc(CCn2cnnc2)cc1 54405078 YDGMXQYXLVMJEN-UHFFFAOYSA-N 188.234 1.103 10 10 ADCE Cc1c(CCN)ccc2ccn(C)c12 75459554 STSTTZSQFKAVQL-UHFFFAOYSA-N 188.274 1.988 10 10 ADCE Cc1coc2c(O)c(CN)ccc12 82869428 HLGKAANHECSNGV-UHFFFAOYSA-N 177.203 1.906 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCCN1C 86189779 AKNTVGLVLSJYTK-SECBINFHSA-N 197.286 1.323 10 10 ADCE C[C@H](NO)c1ccc(F)cc1O 132122278 VUSROMQUIIEYHU-YFKPBYRVSA-N 171.171 1.571 10 10 ADCE Cc1cc(O)c(O)c([C@@H](C)N)c1 238418945 NIMIWSPUQONIJV-ZCFIWIBFSA-N 167.208 1.426 10 10 ADCE Oc1cc(O)c([C@@H]2CCCN2)c(O)c1 238719490 OPYPJLMPVHGNLG-ZETCQYMHSA-N 195.218 1.228 10 10 ADCE CN(C)[C@H]1CCNc2cccc(O)c21 257813305 CBPWGJSNMPMREL-VIFPVBQESA-N 192.262 1.811 10 10 ADCE CN1CCCN(CCCN=[N+]=[N-])C1=O 382218708 MLLSWLGYLRPPAY-UHFFFAOYSA-N 197.242 1.444 10 10 ADCE 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171.627 1.813 10 10 ADCE Cn1ccnc1Cc1ccc(N)cc1 82530032 ORZRLAXRNHPVGC-UHFFFAOYSA-N 187.246 1.593 10 10 ADCE COC(=O)Nc1ccc(O)c(CN)c1 82637826 ULPGPMMMNVRWCJ-UHFFFAOYSA-N 196.206 1.029 10 10 ADCE CC(C)[C@@H](CN)c1ccc(O)c(O)c1 82907449 GFDSOUGOQCCTRL-SECBINFHSA-N 195.262 1.796 10 10 ADCE Oc1ccc([C@@H]2CO2)cc1O 148533098 YSXUDXDCAGDWQG-QMMMGPOBSA-N 152.149 1.169 10 10 ADCE O=C(O)CC(=O)C(=O)C1CCCCC1 219642572 UZQYBSXHMMIZNP-UHFFFAOYSA-N 198.218 1.180 10 10 ADCE COC(=O)c1cnc(SC)s1 238333049 HMSQNFHTTVGCDE-UHFFFAOYSA-N 189.261 1.652 10 10 ADCE Oc1ccccc1[C@@]12CC[C@@H](CN1)C2 258020618 FRLRQDJEYKQBGM-SKDRFNHKSA-N 189.258 1.991 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H]1C[C@H]2CC[C@H]1O2 307082432 PWQABCJIURXNQJ-VGRMVHKJSA-N 183.211 1.225 10 10 ADCE CCC[S@@](=O)NCCCN=[N+]=[N-] 385784206 GDROAKXHHAETPF-GFCCVEGCSA-N 190.272 1.350 10 10 ADCE CC(C)[C@@H]1CN[C@@H](CN=[N+]=[N-])O1 885319038 JJCDQZHCHPROLB-NKWVEPMBSA-N 170.216 1.267 10 10 ADCE [N-]=[N+]=N[C@@H](CO)C1=COCCC1 1535763068 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CCc1cccc(CN)c1O 82631794 DLLKNJPRJMATDR-UHFFFAOYSA-N 151.209 1.413 10 10 ADCE S=Cc1ncco1 148402433 FGUJAZWASMBDQN-UHFFFAOYSA-N 113.141 1.022 10 10 ADCE C=C[Si](C)(C)c1cccc(O)c1O 195882159 GOMFPNJFHCJCPF-UHFFFAOYSA-N 194.306 1.738 10 10 ADCE NCc1c(O)cc(F)c(Cl)c1F 214753869 LULGKEZAQKUUHD-UHFFFAOYSA-N 193.580 1.783 10 10 ADCE N[C@H]1CCCc2cc(F)cc(O)c21 238586816 LZVRSSNXAUHTOP-QMMMGPOBSA-N 181.210 1.867 10 10 ADCE Oc1ccccc1C1=NNCCC1 238727464 LOMIOLPDICEGGB-UHFFFAOYSA-N 176.219 1.480 10 10 ADCE Cc1cc(CN)c(F)c(O)c1O 258039641 PYOJFQQHCCTDJP-UHFFFAOYSA-N 171.171 1.004 10 10 ADCE CC(C)[C@@H]1C[C@H](O)[C@H](O)[C@@H](N=[N+]=[N-])C1 307665439 BDYWVUQEYQSNBH-XSPKLOCKSA-N 199.254 1.453 10 10 ADCE CCNCc1ccc(OC)c(CO)c1 706080271 SPBBIFZSIGWVFF-UHFFFAOYSA-N 195.262 1.297 10 10 ADCE CC(C)CN1CC[C@H](N)[C@H]1CN=[N+]=[N-] 712038737 JROGILCAIOWSFN-DTWKUNHWSA-N 197.286 1.354 10 10 ADCE Cc1nn(C)cc1CN=[N+]=[N-] 953126631 QJVKNHFRZOWYDN-UHFFFAOYSA-N 151.173 1.539 10 10 ADCE CC1(C)OCCO[C@@H]1CN=[N+]=[N-] 1857780563 ROHCRLRZMXAHRC-ZCFIWIBFSA-N 171.200 1.491 10 10 ADCE C[C@H](O)[C@@H]1CCN1CCCN=[N+]=[N-] 1882401618 QZRRGQQWBPXVHM-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE C[C@H](O)CCCN1CC(N=[N+]=[N-])C1 1912197547 VUCJYRHJAJFYPH-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NCCCN1CC=C(F)C1 1953644695 WWIUANVYOOYWEX-UHFFFAOYSA-N 170.191 1.856 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@H]1CN 1957247667 UONDTZBERYOJPD-RKDXNWHRSA-N 197.286 1.213 10 10 ADCE CC[C@H](CO)N=[N+]=[N-] 34579209 JTHXGTVGYLMCJQ-SCSAIBSYSA-N 115.136 1.068 10 10 ADCE CC[C@H](C)C(=O)NCCN=[N+]=[N-] 42012201 PJPKWROEXJIXER-LURJTMIESA-N 170.216 1.459 10 10 ADCE Oc1cc([C@H]2CO2)cc(Cl)c1O 59700260 JLGKPJFWVDMLPD-SSDOTTSWSA-N 186.594 1.823 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])CCCO1 61932334 FHCQEOCVRNZLHL-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@H]1CN(c2ccc(N)cc2)C(=O)O1 71483214 DTUZQOGKKWIMRI-ZETCQYMHSA-N 192.218 1.614 10 10 ADCE Cn1c(C=O)cc2c(O)csc21 76605057 MNUWSAWLYPICIU-UHFFFAOYSA-N 181.216 1.758 10 10 ADCE CC[C@@H](N)c1cc(CCO)ccc1O 104454448 CLIOPKLAFJAZDS-SNVBAGLBSA-N 195.262 1.337 10 10 ADCE Cc1cccc(N)c1N[C@@H]1CCOC1 125665147 HRWJMVYGMHWOAD-SECBINFHSA-N 192.262 1.778 10 10 ADCE CC(=O)CCN(C)CCN=[N+]=[N-] 136946875 FDWAQJWNLCDUKW-UHFFFAOYSA-N 170.216 1.208 10 10 ADCE CSCCN(C)CCN=[N+]=[N-] 157143201 PMTZCEYCEZVCCL-UHFFFAOYSA-N 174.273 1.592 10 10 ADCE Oc1ccccc1CNC1=NCCC1 162954996 PDDGMHXJTDLMSP-UHFFFAOYSA-N 190.246 1.674 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@H]1[N+](=O)[O-] 208509769 ASDNZMMBOHWGEU-PHDIDXHHSA-N 170.172 1.885 10 10 ADCE COC(CCN=[N+]=[N-])OC 212560255 UPNYLOUTXZYBJN-UHFFFAOYSA-N 145.162 1.306 10 10 ADCE [N-]=[N+]=NCCC(=O)NC1CCCC1 238634084 XPXWWZZXKBDBBZ-UHFFFAOYSA-N 182.227 1.746 10 10 ADCE N[C@@H](C1CC1)[C@H](N)c1ccccc1O 306916969 XOIWNDDSBWHZQQ-WDEREUQCSA-N 192.262 1.129 10 10 ADCE Oc1ccc(-c2ncco2)cc1O 306929495 AXSWSURVLWAHPX-UHFFFAOYSA-N 177.159 1.753 10 10 ADCE O=C1N[C@@H]2c3ccoc3C[C@H]2/C1=C\O 308618140 BYPLELUHHUEXDD-MGTJQBRBSA-N 191.186 1.065 10 10 ADCE Cn1ccnc1/C=C1\CCC[C@@H](N)C1 690647444 NLNBJFMFWYFLLD-AAXQSMANSA-N 191.278 1.705 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1COC2 695045549 NOUJRPXONHTUFT-YUMQZZPRSA-N 182.227 1.160 10 10 ADCE C1=C[C@H](CSc2nccs2)NC1 1881557489 PDZMPWNTHASIKH-SSDOTTSWSA-N 198.316 1.763 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@@H]1F 1881885273 UGQVSIKQPYDBPB-RITPCOANSA-N 186.190 1.113 10 10 ADCE C[C@H]1[C@H](O)CN1CCCCN=[N+]=[N-] 1882447466 PUVLVEZZCOCPQC-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE N[C@H](c1ccon1)c1ccccc1O 1885506121 HQEWQUCREVTGQM-JTQLQIEISA-N 190.202 1.428 10 10 ADCE Cn1ccnc1C=C[C@@H]1CCC[C@@H]1N 1890450460 CWLKIBYHKOIAKG-UWVGGRQHSA-N 191.278 1.561 10 10 ADCE C[C@H](O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912143928 MELCQQIGBGZKJD-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE CC1(C)CCC(=O)N1CCN=[N+]=[N-] 1912189951 XKGXLGKSEQACMN-UHFFFAOYSA-N 182.227 1.698 10 10 ADCE CC(=O)C(=O)c1ccc(C)cc1F 1951322862 ZYFNFHGCIRNZQU-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE CN[C@H](COC)c1cccc(F)c1O 1951854627 KPPYPLLTZIXPRY-SECBINFHSA-N 199.225 1.438 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@]1(C)CN 1957247519 RQNAQWMBFFREPZ-RKDXNWHRSA-N 197.286 1.213 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccccn1 42012082 GMWBLEALBPQJHS-UHFFFAOYSA-N 191.194 1.122 10 10 ADCE Cc1ccc(F)c(O)c1[C@H](N)[C@H](C)O 95716763 JFNILVYSARRBLT-IMTBSYHQSA-N 199.225 1.220 10 10 ADCE C[C@H]1C[C@H](C)/C(=C\O)C(=O)O1 100210693 UCHNQCZZNJNGLD-DLHBALMRSA-N 156.181 1.400 10 10 ADCE C[C@@H]1CN(C)Cc2cc(O)c(O)cc21 169328765 XGSHIKHACUWFTP-SSDOTTSWSA-N 193.246 1.647 10 10 ADCE C[C@@H](O)[C@@H](C)Nc1ccccc1N 204139118 MNWZVMFHMQYFHZ-HTQZYQBOSA-N 180.251 1.450 10 10 ADCE CC1(C)CO[C@@H](CN=[N+]=[N-])CO1 218330497 VAIRQGYRCZFWJZ-LURJTMIESA-N 171.200 1.491 10 10 ADCE COC(=N)[C@@H](C)N=[N+]=[N-] 238342726 PJLOWULWALGGHG-GSVOUGTGSA-N 128.135 1.309 10 10 ADCE C[C@@]12CC=CC[C@@H]1C(=O)C(=O)CC2 238502139 RARFSVBUSMPZGO-KCJUWKMLSA-N 178.231 1.891 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H]2CC(=O)N[C@@H]21 238632198 HIGQHBSGPMSULE-BBVRLYRLSA-N 180.211 1.354 10 10 ADCE COC[C@@H]1OC=C[C@H](OC)[C@H]1N=[N+]=[N-] 308380931 WMQFCYQYPZOTNA-BIIVOSGPSA-N 199.210 1.239 10 10 ADCE CCCC1(C(=O)NCCN=[N+]=[N-])CC1 308561126 XJMJKFSXOXVNOF-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE CN(C)N=Nc1ccccc1O 383712233 MEIGQVAGNLCOOW-UHFFFAOYSA-N 165.196 1.953 10 10 ADCE CC[S@](=O)NCCCCN=[N+]=[N-] 385787386 GSZNNUAMLSJGFE-LBPRGKRZSA-N 190.272 1.350 10 10 ADCE COc1ccc(N2CCC2)cc1N 685968755 UHZASRALJBUSGY-UHFFFAOYSA-N 178.235 1.488 10 10 ADCE C[C@@H](NN1CCC1)c1ccccc1O 686778617 PZCWSGDVWLTNFF-SECBINFHSA-N 192.262 1.664 10 10 ADCE [N-]=[N+]=NC[C@H]1C(=O)CCN1CC1CC1 712005587 QZRUKTHXAOIGQK-QMMMGPOBSA-N 194.238 1.350 10 10 ADCE NC1(CCc2cccc(O)c2O)CC1 1535734880 BDJZBLOLZPSXMX-UHFFFAOYSA-N 193.246 1.522 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cc(F)ccn1 1535775036 UHZGDMFWJZOAKA-SSDOTTSWSA-N 182.158 1.564 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccccc1O 1535826893 BTRUTAZVXFYAJC-ZETCQYMHSA-N 179.179 1.736 10 10 ADCE C[C@@H](CCN)Nc1c(N)cccc1F 1888898680 QBDWYRFDAYDAMQ-ZETCQYMHSA-N 197.257 1.557 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H]1CC1(F)F 1893547948 XTZHXSMAUNPQHO-IMJSIDKUSA-N 163.127 1.313 10 10 ADCE C[C@H]1C[C@H]1C(=O)CN=[N+]=[N-] 1893780630 HXYZKLQNZMTCBA-CRCLSJGQSA-N 139.158 1.522 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H]2C[C@@H]21 1912157989 ZXADETPTGWMBAL-YUMQZZPRSA-N 166.228 1.781 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@H]1CF 1951332544 SVAGCTKUYHFLLA-CRCLSJGQSA-N 129.138 1.902 10 10 ADCE COC[C@](C)(N)c1c(O)cccc1F 1951648058 KLFYQVKHCOJMRX-JTQLQIEISA-N 199.225 1.352 10 10 ADCE O=C1C[C@H](c2cccc(F)c2O)N1 1951667828 SPGNMRGHSNWPRK-SSDOTTSWSA-N 181.166 1.092 10 10 ADCE CC(=O)C(=O)[C@H]1CCC(C)(C)C1 1952741211 IFJKXSPYBHROMH-QMMMGPOBSA-N 168.236 1.971 10 10 ADCE C[C@@H](c1ccccc1O)N(C)CCO 1956417543 IVSGTBCXMICRKU-VIFPVBQESA-N 195.262 1.377 10 10 ADCE C[C@@H]1[C@@H](N)CCCN1CCCN=[N+]=[N-] 1957250079 NQGSWFAFHFZFDY-BDAKNGLRSA-N 197.286 1.498 10 10 ADCE CC(=O)C(=O)C1CC2(CCC2)C1 2060424400 SHFYSLXVYPRHPI-UHFFFAOYSA-N 166.220 1.725 10 10 ADCE OCc1sc(C2CC2)cc1O 2080414832 YTKYGDBPBUQJNY-UHFFFAOYSA-N 170.233 1.823 10 10 ADCE N[C@@H]1CCN[C@@H](c2ccccc2O)C1 107135986 RXBAERQLOWIUFH-PSASIEDQSA-N 192.262 1.144 10 10 ADCE Nc1ccc(F)c([C@@H](N)C2CC2)c1O 211740926 XARBJYLPQOKJJQ-VIFPVBQESA-N 196.225 1.523 10 10 ADCE C[C@H](N)c1c(O)c(F)cc2c1OCO2 212195232 UTEWQEGVZHQADC-BYPYZUCNSA-N 199.181 1.280 10 10 ADCE Oc1cccc2c1CNC[C@@H]2F 219403135 TXWBLROKEXDCAD-QMMMGPOBSA-N 167.183 1.506 10 10 ADCE CC(C)[C@H]1C(=O)C(=O)C[C@@H]1C 223915349 OJFDCPUUMYVIDV-POYBYMJQSA-N 154.209 1.437 10 10 ADCE CNC(=O)OCCc1ccc(N)cc1 224396426 AHIMNPLOVYBWTM-UHFFFAOYSA-N 194.234 1.167 10 10 ADCE CC[C@@H](N)c1sccc1O 238287809 JHOFSFPVXOADRC-RXMQYKEDSA-N 157.238 1.864 10 10 ADCE C[C@@H]1CCC2(CC(=O)C(=O)C2)C1 238439747 VVTDILSTAPTIOU-SSDOTTSWSA-N 166.220 1.725 10 10 ADCE CC[S@@](=O)N(C)c1ccc(N)cc1 306811456 WYMUJUJQWYCCHY-CYBMUJFWSA-N 198.291 1.389 10 10 ADCE C[C@H]1CCC(=O)N(CCCN=[N+]=[N-])C1 708341872 WPYFCIFKCOPIMP-QMMMGPOBSA-N 196.254 1.945 10 10 ADCE [N-]=[N+]=N[C@@H]1CCOC2(COC2)C1 723888773 OSYSJBDNPDZCFL-ZCFIWIBFSA-N 169.184 1.245 10 10 ADCE CCC(C)(C)[C@](C)(O)C(=O)C(C)=O 1883237438 QFTNKBIACFXHTG-SNVBAGLBSA-N 186.251 1.332 10 10 ADCE CC1(C)CNCCCN1CCN=[N+]=[N-] 1890833377 MSZZFSNPEGZTAJ-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CCCCCO)C1 1912160627 YSJMLGHGICBPJO-VIFPVBQESA-N 198.270 1.534 10 10 ADCE C[C@@]12C[C@@H]1CN(CCN=[N+]=[N-])C2 1912176918 ACQHKVAUNJXRIX-SFYZADRCSA-N 166.228 1.639 10 10 ADCE [N-]=[N+]=NC1CCN([C@@H]2CC[C@H]2O)CC1 1912182095 XINHHNRHTQPRBZ-RKDXNWHRSA-N 196.254 1.284 10 10 ADCE COC[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912205590 PODIXDXLPCAKSP-SFYZADRCSA-N 184.243 1.406 10 10 ADCE CC(=O)C(=O)c1ccc(O)c(F)c1 1951525591 SYCLQHKYKUCHBP-UHFFFAOYSA-N 182.150 1.303 10 10 ADCE C[C@H](N)[C@H](N=[N+]=[N-])c1ccccn1 1954081182 KFWBRRXXTWMLIN-XPUUQOCRSA-N 177.211 1.780 10 10 ADCE CC1(N)CCN(CCN=[N+]=[N-])CC1 1954209154 ZXLHNODWLAZHHS-UHFFFAOYSA-N 183.259 1.110 10 10 ADCE C[C@@H]1CC[C@H](N)CN1CCCN=[N+]=[N-] 1957245339 WYXVVMKQYRGMIL-BDAKNGLRSA-N 197.286 1.498 10 10 ADCE C[C@H](N)[C@@H]1CCN(CCCN=[N+]=[N-])C1 1957250781 RQFOHLXWFJQEJC-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE O=Cc1sc2c(c1O)CCCO2 82393357 RRQBUCSSGMKULX-UHFFFAOYSA-N 184.216 1.591 10 10 ADCE Cc1ccc(CN)c(O)c1C 82631792 BIPVTWJKYHXYMP-UHFFFAOYSA-N 151.209 1.468 10 10 ADCE O=CN[C@H]1CCc2cccc(O)c21 148475652 DMUJDMQTPBRZOM-QMMMGPOBSA-N 177.203 1.126 10 10 ADCE CC[C@H](C)CC(=O)NCCN=[N+]=[N-] 164673621 NYDALGWVEXKBRS-ZETCQYMHSA-N 184.243 1.849 10 10 ADCE COC(OC)[C@@H](C)N=[N+]=[N-] 196187558 HWJFCDJIMVLUQC-SCSAIBSYSA-N 145.162 1.304 10 10 ADCE O/C=C\c1ccc(O)c(O)c1 224204068 OUWKTIRCGDAGJB-ARJAWSKDSA-N 152.149 1.627 10 10 ADCE CC(=O)[C@@H]1CCCC1=S 238162959 WXJGATYKQDUSLU-LURJTMIESA-N 142.223 1.745 10 10 ADCE CC(C)C[C@H](N=[N+]=[N-])[C@H](O)CO 238194967 FVMDGEWRMDVXFK-NKWVEPMBSA-N 173.216 1.065 10 10 ADCE CC1(C)OC(=N)C=C1N=[N+]=[N-] 238260856 IIVVKPJLACVFJF-UHFFFAOYSA-N 152.157 1.967 10 10 ADCE Nc1cc(F)c(O)c(C2(N)CC2)c1 238598801 FIPSODFSMZKUMW-UHFFFAOYSA-N 182.198 1.061 10 10 ADCE COc1cc(F)cc(O)c1[C@H](C)N 258093597 OFWYNJAOBSVHQA-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE CC(C)[C@@H]1C[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])C1 307665436 BDYWVUQEYQSNBH-UYXSQOIJSA-N 199.254 1.453 10 10 ADCE Cn1cc(Nc2ccc(N)cc2)nn1 606260747 UIBXAJDNBWZZKP-UHFFFAOYSA-N 189.222 1.141 10 10 ADCE CN(C)C[C@@H]1CCN(CCN=[N+]=[N-])C1 688492908 RFZQFGIIBAGFQS-VIFPVBQESA-N 197.286 1.180 10 10 ADCE CCC(=O)NCc1cccc(O)c1O 1349076901 AEQQGRRNNUVUQA-UHFFFAOYSA-N 195.218 1.124 10 10 ADCE CC[C@H](OC)[C@@H](CO)N=[N+]=[N-] 1535787326 PUAIIYRUBGHXQO-RITPCOANSA-N 159.189 1.083 10 10 ADCE NC[C@@H]1C[C@@H]1COc1ccc(N)cc1 1877579706 ADQQPTRTLOPASB-DTWKUNHWSA-N 192.262 1.242 10 10 ADCE N[C@]1(c2ccccc2O)CCCOC1 1928477131 QININVUAVFWDEL-LLVKDONJSA-N 193.246 1.357 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@@H]1CCCC[C@@H]1C 1929232413 ZAYMJYIMCAHJNZ-JVUFJMBOSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN(CCO)CC1 1934378979 WMYKVTJTYCNNAO-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE CC(=CCN)c1ccc(O)c(O)c1O 1951522527 WIQLESVQBNPOSI-UHFFFAOYSA-N 195.218 1.165 10 10 ADCE CCN=c1[nH]cc(CN=[N+]=[N-])s1 1953643602 HSZZOKJWKMUUEF-UHFFFAOYSA-N 183.240 1.807 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H](O)C[C@H]2[C@H]3CC[C@@H](O3)[C@@H]12 1957261514 RCKRVBPANBINQE-BARZSYDPSA-N 195.222 1.224 10 10 ADCE [N-]=[N+]=NCC[S@](=O)CCC1CC1 2209037389 WKMVWLGBPSHETN-GFCCVEGCSA-N 187.268 1.846 10 10 ADCE N[C@@H](c1ccccc1O)[C@@H]1C[C@H]1CF 2297262123 RRPLEWXLVTXNQZ-NMLBEHRDSA-N 195.237 1.998 10 10 ADCE [N-]=[N+]=NS(=O)(=O)Cc1ccccc1 13520910 AECLXOIWGNOEKH-UHFFFAOYSA-N 197.219 1.827 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCCO1 42465511 GTANOISQMTYQHR-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE Nc1ccc(COCCCCO)cc1 43444938 GMJLYMBCCARIGL-UHFFFAOYSA-N 195.262 1.558 10 10 ADCE COc1ccc(N(C)CC(=N)N)cc1 49970036 SAMFXIXTZDSSOF-UHFFFAOYSA-N 193.250 1.067 10 10 ADCE O=NN(O)Cc1ccccc1O 89456004 BKRYPESASSYOEB-UHFFFAOYSA-N 168.152 1.265 10 10 ADCE COc1ccc(OC)c([C@@H](C)N)c1O 104517386 BHWMPNDOWJMXAF-ZCFIWIBFSA-N 197.234 1.429 10 10 ADCE CC[C@@H](C)[C@@H](O)CN=[N+]=[N-] 130768664 DJWASGIXQNXQAH-RITPCOANSA-N 143.190 1.704 10 10 ADCE COC(=O)/C(=C/O)Cc1ccccc1 204446228 GSEAWBXOZLYRQE-CSKARUKUSA-N 192.214 1.844 10 10 ADCE CC(C)(/C=C/CO)N=[N+]=[N-] 220138719 DIJCQWCCTGJLDM-ONEGZZNKSA-N 141.174 1.624 10 10 ADCE CCCC(=O)C(=O)C1CC1 221938673 WWDCWEQCVYBWRM-UHFFFAOYSA-N 140.182 1.335 10 10 ADCE Cc1cc(O)c(O)cc1[C@@H](C)C(=O)O 257818113 CPJNUUYCZIACQA-ZCFIWIBFSA-N 196.202 1.594 10 10 ADCE Oc1ccc([C@H]2CCCN2)c(F)c1O 258189598 XGYBYKJJZADYIZ-SSDOTTSWSA-N 197.209 1.661 10 10 ADCE CC(C)NCCN=[N+]=[N-] 307128669 XGWNJTVYGARSFI-UHFFFAOYSA-N 128.179 1.295 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@]12COC[C@H]1C2 689366515 WLNKNTMGCSYINL-BDAKNGLRSA-N 196.254 1.265 10 10 ADCE CO[C@@H]1CN[C@H]2CC[C@H](N=[N+]=[N-])[C@@H]1C2 721781325 INZUGVROZVXQJL-XSPKLOCKSA-N 196.254 1.452 10 10 ADCE CC[C@H]1COC[C@@H](CN=[N+]=[N-])O1 958691832 JJQSQYZYLJFLPI-NKWVEPMBSA-N 171.200 1.491 10 10 ADCE CO[C@H](C)OCCc1ccc(N)cc1 1884365838 DXWMAWZZVOATBI-VIFPVBQESA-N 195.262 1.820 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H](C(C)C)C1 1905639017 UXQXXILIRVRYBM-KOLCDFICSA-N 198.262 1.332 10 10 ADCE CC[C@H](C)OC(=O)NCCN=[N+]=[N-] 1912210793 NVKXEHRMCRJGPC-LURJTMIESA-N 186.215 1.821 10 10 ADCE Oc1ccc([C@H](O)C2CC2)cc1O 1951377956 SMKABUZZMNZPTR-SNVBAGLBSA-N 180.203 1.541 10 10 ADCE Nc1ccc(NC2COC2)cc1 1953647099 FCFYUPKECKTQPV-UHFFFAOYSA-N 164.208 1.080 10 10 ADCE Oc1ccccc1CN[C@@H]1[C@H]2CC[C@H]21 1955448858 IBOPDXBBRQMKMU-IAZYJMLFSA-N 189.258 1.890 10 10 ADCE CNC(C)(C)[C@H](N)c1ccccc1O 1956167924 ZRLQDBNEQBIONJ-SNVBAGLBSA-N 194.278 1.390 10 10 ADCE CC1(C)C[C@@H](N)CCN1CCN=[N+]=[N-] 1957243925 JRYGBWRMYLVNNK-QMMMGPOBSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=Cc1cccs1 39190180 JGIAYLJPCYGQMP-UHFFFAOYSA-N 124.168 1.397 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCSC1 42415903 FMSATAJFXCPCDD-SSDOTTSWSA-N 186.284 1.734 10 10 ADCE C[C@@H](CO)CSCCN=[N+]=[N-] 85139765 STSXSMZFUMAOAM-LURJTMIESA-N 175.257 1.658 10 10 ADCE Cn1ccnc1/C=C/CCNC1CC1 86571900 QAWGDESOVGEJAI-DUXPYHPUSA-N 191.278 1.575 10 10 ADCE Cc1cc(NC(=O)CN=[N+]=[N-])on1 104702745 BNHVILOFSGOBPJ-UHFFFAOYSA-N 181.155 1.232 10 10 ADCE C[C@H](N)c1c(O)ccc2c1COC2 108292299 KVWXCNKNZQPYLS-LURJTMIESA-N 179.219 1.442 10 10 ADCE CN(C)/N=N/c1cscc1C(N)=O 117291321 LFITZROYUAUXCO-MDZDMXLPSA-N 198.251 1.407 10 10 ADCE CCN(CCN)c1ccc(N)cc1 146490782 LGQYHCWYAKCOSJ-UHFFFAOYSA-N 179.267 1.054 10 10 ADCE CCC[C@@H](N=[N+]=[N-])C(=O)OC 217346729 KNOPNOKOKNQXKT-RXMQYKEDSA-N 157.173 1.638 10 10 ADCE CC(C)(C)C(=O)C(=O)CCC(=O)O 219207009 MUZCEZJNJDHBGH-UHFFFAOYSA-N 186.207 1.036 10 10 ADCE Cc1ccc(F)c([C@@](C)(N)CO)c1O 238492173 SCHJXCKYYCAMIU-JTQLQIEISA-N 199.225 1.006 10 10 ADCE Cc1ccc([C@H](C)CCN)c(O)c1O 257984479 DXFCOYGETLILRS-SSDOTTSWSA-N 195.262 1.859 10 10 ADCE CC1(C)CN[C@H](c2ccccc2O)O1 258596000 QMGRGOHYHDATGN-JTQLQIEISA-N 193.246 1.789 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C(=O)[C@@H]1C 307579016 SYKZAJKTIGDZPV-NKWVEPMBSA-N 182.227 1.411 10 10 ADCE N[C@@H]1CC(=O)c2c(F)ccc(O)c21 713794578 LGNNDQLLLMGJDK-RXMQYKEDSA-N 181.166 1.118 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)CC1CC1 1880200747 QNIGSWGFTQCVHQ-LLVKDONJSA-N 173.241 1.455 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CC[C@H]1[C@H]2N 1886192230 BFKKMZQGBOPORS-VGMNWLOBSA-N 195.270 1.108 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1CCN1C 1886791092 ZPRSKXRVXUGCJN-SECBINFHSA-N 197.286 1.323 10 10 ADCE C[C@H]1[C@H](O)CCN1CCCCN=[N+]=[N-] 1912156017 SBEHTAKKABQEGO-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2CCCC[C@@H]21 1912182434 BNPQUAHPVATOMP-YUMQZZPRSA-N 194.238 1.698 10 10 ADCE CC[C@@H]1CC[C@](O)(C(=O)C(C)=O)C1 1929143069 YTNDJWTVKJYKLD-PSASIEDQSA-N 184.235 1.086 10 10 ADCE CC(=O)C(=O)[C@]12CCC[C@H]1OCC2 1954793845 YRHGREKCYPRCJC-SCZZXKLOSA-N 182.219 1.104 10 10 ADCE [N-]=[N+]=NCCCNC(=O)C1[C@H]2CC[C@H]12 1955485590 FTDWFLHYNDCGRV-BQBZGAKWSA-N 194.238 1.459 10 10 ADCE CN(CCN=[N+]=[N-])C1(C)CCOCC1 1957334328 VGGQPAFGNUSNOM-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE CCc1cc(OC)cc(O)c1O 2060117138 MPFGFDVPMJGKQI-UHFFFAOYSA-N 168.192 1.669 10 10 ADCE CCc1sc(N)c(O)c1N 2080409406 DUQZGZWIRZDOOU-UHFFFAOYSA-N 158.226 1.181 10 10 ADCE NCc1sc(C2CC2)c(N)c1O 2080421078 MVVCFPNVWFVZEZ-UHFFFAOYSA-N 184.264 1.372 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2COC[C@H]1C2 2241896690 JSPNXQQPMQPWRU-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCSc1cnccn1 82433453 SEIIZQUDBVJWGK-UHFFFAOYSA-N 181.224 1.879 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H](O)C1 125584860 KRIUAUUUXDACLZ-WHFBIAKZSA-N 127.147 1.210 10 10 ADCE CN(c1ccc(CN)c(F)c1)C1CC1 168967956 RCFBIDYODFQXLH-UHFFFAOYSA-N 194.253 1.883 10 10 ADCE CCOC(=O)/C(=C\O)SC 217745509 ARPRRDLGBQXHHN-SNAWJCMRSA-N 162.210 1.312 10 10 ADCE CC(=O)O[C@]1(C)COC=C[C@@H]1N=[N+]=[N-] 238108269 GABOSBHDMWNKHO-JGVFFNPUSA-N 197.194 1.531 10 10 ADCE CCc1cc(CNCO)ccc1OC 258855721 DZPYYJCTCGNDLS-UHFFFAOYSA-N 195.262 1.297 10 10 ADCE N[C@]1(c2ccccc2O)CC[C@H](O)C1 259686371 JNDLEVYBMZDSSW-GZMMTYOYSA-N 193.246 1.091 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@]12CCOC2 306183089 ZPXVWXDJWZYJRM-RQJHMYQMSA-N 153.185 1.866 10 10 ADCE OCc1cccc2c(O)c(O)sc12 306578620 MNDBZJAMVJUSFX-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CC[C@@H](C)NCc1cc(N)ccc1O 396898990 KFGQSFOGFBWNCS-MRVPVSSYSA-N 194.278 1.863 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)C=C1Cl 687763004 HXFOSPRQLLLPLJ-INEUFUBQSA-N 173.603 1.943 10 10 ADCE Nc1ccc(C[C@H](O)C2CCC2)cc1 696540583 TUSKDOBXUSLBLD-LBPRGKRZSA-N 191.274 1.972 10 10 ADCE Cc1ccnc([C@@H](CO)N=[N+]=[N-])c1 1535853682 FIUXBPZNRXDURK-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE CCC1=CCC[C@]1(O)C(=O)C(C)=O 1882173308 XEBJJJUDXOIGBP-SNVBAGLBSA-N 182.219 1.006 10 10 ADCE Nc1ccccc1N[C@@H]1CC[C@H](N)C1 1888922609 ICTBCGYRPLZRAL-DTWKUNHWSA-N 191.278 1.561 10 10 ADCE NC[C@H]1C[C@H]1Nc1c(N)cccc1F 1888932998 FBIWVIVVDQXNMV-HZGVNTEJSA-N 195.241 1.167 10 10 ADCE C[C@@H]1CCOCCN1CCN=[N+]=[N-] 1912146055 OULQRCGZEMLZMC-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CC(=O)C(=O)c1cnn(CC(C)C)c1 1951589199 IPKSNNQJSLJURZ-UHFFFAOYSA-N 194.234 1.311 10 10 ADCE COC1(CN(C)CCN=[N+]=[N-])CC1 1953884969 QZHUEGVBUSQKAF-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC(C)(CN)[C@H](N)c1ccccc1O 1956162950 NSLOZEVGHBGHRM-SNVBAGLBSA-N 194.278 1.377 10 10 ADCE Cc1cncn1-c1ccc(N)cc1 82655552 CDAWSMRFXJFNQR-UHFFFAOYSA-N 173.219 1.763 10 10 ADCE Oc1ccc([C@H]2CCCN2)c(O)c1 82871278 KOAOKYSANSMFDO-SECBINFHSA-N 179.219 1.522 10 10 ADCE C[C@@H]1CCN[C@H]1c1ccc(O)c(O)c1 82892576 KDAZDPGVOAIHTM-RDDDGLTNSA-N 193.246 1.768 10 10 ADCE C[C@@H](CC(=N)N)c1ccc(O)c(O)c1 84355455 BDKWDSCSSNCVMX-LURJTMIESA-N 194.234 1.527 10 10 ADCE C[C@H](Oc1ccc(N)cc1)[C@@H](C)O 87141221 GHYXGRLJPDNNJR-SFYZADRCSA-N 181.235 1.417 10 10 ADCE COc1ccc(C)c([C@@H](C)N)c1O 95780983 QFMUQVRFBXRPNX-SSDOTTSWSA-N 181.235 1.729 10 10 ADCE COc1ccc(C)c([C@@H]2CCN2)c1O 95785227 PMNKIOXONVMBNG-QMMMGPOBSA-N 193.246 1.744 10 10 ADCE CCCCN1C[C@H](O)C[C@H]1CN=[N+]=[N-] 139134252 BOIXYFMVPBSKAI-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CC1=CCSC(=S)N1 238235162 PPVHYFAVSQSWMB-UHFFFAOYSA-N 145.252 1.512 10 10 ADCE CO[P@](=O)(O)CCCCN=[N+]=[N-] 238427574 GPMPUPNYKPYYGI-UHFFFAOYSA-N 193.143 1.909 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H](CCO)N=[N+]=[N-] 238458838 SKGJZZTZAFOKBY-CRCLSJGQSA-N 170.176 1.747 10 10 ADCE CCOC(=O)c1cccc(CN)c1O 258080334 VLIIPANKWZKCCB-UHFFFAOYSA-N 195.218 1.028 10 10 ADCE C[C@H]1C[C@@H](N=[N+]=[N-])CN1 306478978 FJTNVTWDUCTUKQ-CRCLSJGQSA-N 126.163 1.047 10 10 ADCE CN(C)CC1CN(CCCN=[N+]=[N-])C1 382249483 DKGYEVQRYYZZSP-UHFFFAOYSA-N 197.286 1.180 10 10 ADCE [N-]=[N+]=N[C@H](O)c1ccc([N+](=O)[O-])cc1 687749840 KUMGOHDHVQVJKI-SSDOTTSWSA-N 194.150 1.896 10 10 ADCE CCOC(=O)/C=C\[C@@H](N=[N+]=[N-])[C@H](C)O 687750428 UUJGMQPHJPNTLV-SXGPTOSISA-N 199.210 1.165 10 10 ADCE COC[C@@H]1C[C@H](O)[C@@H](N=[N+]=[N-])C1 698781786 PQVARCCMNAYULL-ACZMJKKPSA-N 171.200 1.083 10 10 ADCE N#CN1CCC(CN=[N+]=[N-])CC1 885277598 HTRUDHZALMRQJZ-UHFFFAOYSA-N 165.200 1.490 10 10 ADCE CC[C@@H]1C[C@@H](C)O[C@H](CN=[N+]=[N-])N1 885456479 YDTUYYSSJZGHJW-BWZBUEFSSA-N 184.243 1.800 10 10 ADCE CC[C@@H](CCN)Oc1ccc(N)cc1 1896269811 XMOFYFRYFKCIIA-JTQLQIEISA-N 194.278 1.775 10 10 ADCE C[C@@H]1C[C@@]1(N)Cc1cccc(O)c1O 1951521080 BJVNNEBZLULUJC-RDDDGLTNSA-N 193.246 1.378 10 10 ADCE O=C1C[C@@H](c2c(O)cccc2F)N1 1951648716 OSPCVCCBEGJVFK-LURJTMIESA-N 181.166 1.092 10 10 ADCE CC(=O)C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 1953615989 PMLOKLUGTVTEKA-HRDYMLBCSA-N 166.220 1.581 10 10 ADCE CCNC(=O)NCC1(CN=[N+]=[N-])CC1 1957233807 PMVAEUNYCUAQSM-UHFFFAOYSA-N 197.242 1.396 10 10 ADCE CCc1sc(CN)c(O)c1N 2080420112 VPNCVBGBGLNIEY-UHFFFAOYSA-N 172.253 1.057 10 10 ADCE Nc1c(C2CC2)sc(C=O)c1O 2080426151 BHNHYBFLEOUONQ-UHFFFAOYSA-N 183.232 1.726 10 10 ADCE NC1CN(c2ccc(OCF)cc2)C1 2242504037 XTZIHBWRNSUMNX-UHFFFAOYSA-N 196.225 1.140 10 10 ADCE CN(C)/N=N/c1ccc(C(=N)N)cc1 1703664 HEEJJECYBIHHQE-OUKQBFOZSA-N 191.238 1.531 10 10 ADCE CON(C)c1ccc(N)cc1 36825522 IFBSTSGTJMSUIN-UHFFFAOYSA-N 152.197 1.266 10 10 ADCE [N-]=[N+]=NCCOc1ccc(CO)cc1 42416333 JWCNLZUEROFJLK-UHFFFAOYSA-N 193.206 1.868 10 10 ADCE OC[C@@H]1Cc2cc3c(cc21)OCO3 143503663 BJHKHVOXBORTAY-ZETCQYMHSA-N 178.187 1.047 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)c1ccno1 165839085 URSJHIBFCFPDOE-RXMQYKEDSA-N 168.156 1.408 10 10 ADCE CN(C)c1ccc2c(c1)CCC(=O)N2 260114990 PGYXNXPRVAHRIM-UHFFFAOYSA-N 190.246 1.637 10 10 ADCE O=C1N[C@@H]2c3ccoc3C[C@@H]2/C1=C\O 308618138 BYPLELUHHUEXDD-ACLHSPAVSA-N 191.186 1.065 10 10 ADCE C[C@H]1COC[C@@H]1N(C)CCN=[N+]=[N-] 688219601 XDMIBHOWODLENW-YUMQZZPRSA-N 184.243 1.263 10 10 ADCE CC[C@@]1(CO)CO[C@@H](CN=[N+]=[N-])C1 689249161 UXOVEJCEXYFXSW-HTQZYQBOSA-N 185.227 1.474 10 10 ADCE Cc1nc([C@@H](CO)N=[N+]=[N-])cs1 1535768308 VJKKPKHLTDREBM-RXMQYKEDSA-N 184.224 1.795 10 10 ADCE CC1([C@@H](O)CN=[N+]=[N-])CC1 1880072436 TUOMJLKRGKFALA-YFKPBYRVSA-N 141.174 1.458 10 10 ADCE [N-]=[N+]=NCC12CC(N)(C1)C2 1893556180 QTZUJOURXHBMCY-UHFFFAOYSA-N 138.174 1.178 10 10 ADCE [N-]=[N+]=NCCCCN1CC(CCO)C1 1912147884 ZYHPLRMXEJYLHC-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE N[C@@H](c1ncc[nH]1)c1ccccc1O 1928466274 CHMOJIKVZUTRTQ-SECBINFHSA-N 189.218 1.163 10 10 ADCE CC[C@@H]1C[C@]1(N)c1cccc(O)c1O 1951725736 SZBHKEYSKUFDEZ-RDDDGLTNSA-N 193.246 1.682 10 10 ADCE Cc1cccc([C@@H]2NCCC2=O)c1O 1951863712 ROOTXICPDOPWLY-JTQLQIEISA-N 191.230 1.304 10 10 ADCE [N-]=[N+]=NCCCCN1CC(CF)C1 1954421303 ATSKIGJEBBTHLC-UHFFFAOYSA-N 186.234 1.978 10 10 ADCE Cc1cc(O)c(C)c(O)c1O 34369664 GSOSWVGCAPGSDU-UHFFFAOYSA-N 154.165 1.420 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@@H]2OC(=O)C[C@H]12 39074335 BGRMTYLXJVFKTM-SRQIZXRXSA-N 165.152 1.167 10 10 ADCE CN(C)c1ccc(CN)c(Cl)c1 44547482 DEZBIXXCKOEFCW-UHFFFAOYSA-N 184.670 1.865 10 10 ADCE COC[C@@H](C)OCc1ccc(N)cc1 69735053 AQCDJFHFAGLXDZ-SECBINFHSA-N 195.262 1.820 10 10 ADCE C[C@H](O)CNCc1cccc(F)c1O 83343148 RMYDMXBZUAIWPG-ZETCQYMHSA-N 199.225 1.002 10 10 ADCE CC[C@H](C)N1C(N)=NC[C@H]1CN=[N+]=[N-] 86474447 WCMPXNZCSTWNFX-BQBZGAKWSA-N 196.258 1.094 10 10 ADCE N[C@H](c1cc(O)ccc1O)C1CC1 95673075 YNYWGMPBGLXMQP-JTQLQIEISA-N 179.219 1.508 10 10 ADCE C[C@@H](N)c1c(O)cc(F)cc1F 95716256 IEFWXOBKRBXWIK-SCSAIBSYSA-N 173.162 1.690 10 10 ADCE Cc1cc(O)c([C@@](C)(N)CO)cc1C 104451055 MKLQORNVDWAFJW-NSHDSACASA-N 195.262 1.175 10 10 ADCE [N-]=[N+]=NCN1CCCC1 141632273 BMTYPTUTHYFUQC-UHFFFAOYSA-N 126.163 1.350 10 10 ADCE CC(=O)C[C@H](O)c1cccc(O)c1O 238127023 YYDMPTRIDPIRFW-VIFPVBQESA-N 196.202 1.110 10 10 ADCE CCCCC[C@@H](O)[C@@H](O)CN=[N+]=[N-] 238216075 CIKCIXHRMZGUFK-SFYZADRCSA-N 187.243 1.599 10 10 ADCE CCCC[C@](C)(N=[N+]=[N-])[C@H](O)CO 238252270 LECAIBMGMFYTGN-SFYZADRCSA-N 187.243 1.599 10 10 ADCE CC[C@@]1(C)C[C@@H](N=[N+]=[N-])C(=O)O1 238269811 OBVPPNIEJOZKLO-VDTYLAMSSA-N 169.184 1.781 10 10 ADCE [N-]=[N+]=N[C@H](CN)Cc1ccccc1 238805536 OMKFABTWFXDQJD-VIFPVBQESA-N 176.223 1.867 10 10 ADCE Cc1ccc(C2(CN)CC2)c(O)c1O 258030262 IXZLVEMDSVWNNG-UHFFFAOYSA-N 193.246 1.397 10 10 ADCE Nc1ccc(NC2=NCCO2)cc1 259824600 UJZCIBUJVSGNGA-UHFFFAOYSA-N 177.207 1.067 10 10 ADCE C[C@@H]1C[C@H](N(C)CCN=[N+]=[N-])CO1 401441999 CBUMOJDYIGJNFB-SFYZADRCSA-N 184.243 1.406 10 10 ADCE N#CN1CCC[C@@H](N=[N+]=[N-])C1 575454483 USDZUQAGNGVSJV-ZCFIWIBFSA-N 151.173 1.242 10 10 ADCE 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CC(C)[C@H]1O[C@@H](O)[C@H](N=[N+]=[N-])[C@@H]1C 307393078 LCQUADZVTAZSNO-LXGUWJNJSA-N 185.227 1.675 10 10 ADCE CCC/C=C/C(=O)OCC(=O)C(C)=O 808504440 CDGYLGAXNFYFSF-AATRIKPKSA-N 198.218 1.044 10 10 ADCE CCCc1nc#cc(NN=N)n1 885271405 QWHCWHUJTMXGEM-UHFFFAOYSA-N 163.184 1.387 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CCOC1 1885287056 NZXAAHVLKTUSCU-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE CC(C)n1ncnc1[C@H](CO)N=[N+]=[N-] 1951781444 XNNSARWJQCURIW-LURJTMIESA-N 196.214 1.203 10 10 ADCE CC[C@]1(C)CC(=O)N(CCN=[N+]=[N-])C1 1956781655 KTQGAOAOTLNOFE-SECBINFHSA-N 196.254 1.945 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCCCNC1 1957243716 HCVQHYFVIFHKSA-SECBINFHSA-N 197.286 1.371 10 10 ADCE CN(CCN=[N+]=[N-])C1CCC(N)CC1 1957243863 IRMBRGUAHRUDIA-UHFFFAOYSA-N 197.286 1.498 10 10 ADCE CC(=O)Cc1cccc(O)c1O 2518654 VRLXJTHGCCPEFC-UHFFFAOYSA-N 166.176 1.229 10 10 ADCE COCCN(CCN=[N+]=[N-])C1CC1 42519335 IRCLRDVZIUDFKZ-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC(C)OCCN=[N+]=[N-] 49260709 OPIDYHYFOBUDKT-UHFFFAOYSA-N 129.163 1.722 10 10 ADCE CO[C@H](CCN)c1ccc(O)c(O)c1 107187503 VDKQYDUIZLZWIN-SNVBAGLBSA-N 197.234 1.134 10 10 ADCE C[C@H](N)CCCc1ccc(N)cc1 107534615 KPLIRVLKFFBOHY-VIFPVBQESA-N 178.279 1.939 10 10 ADCE Cc1ccc([C@@H](C)NO)c(O)c1 132184811 BZQQZQOZCRRZCI-SSDOTTSWSA-N 167.208 1.740 10 10 ADCE C=CC(=C)N=[N+]=[N-] 238036353 KHDAIVWPGWYGCK-UHFFFAOYSA-N 95.105 1.996 10 10 ADCE CC[C@H](N)c1c(O)ccc(F)c1O 238309366 DBLNCHMUTOIHSJ-LURJTMIESA-N 185.198 1.647 10 10 ADCE Nc1ccc(C2=NNCCC2)cc1 238637096 SVSSLWBXGZOIDO-UHFFFAOYSA-N 175.235 1.356 10 10 ADCE [N-]=[N+]=N[C@H](C(=O)O)[C@H]1CCSC1 238640034 LBJNYSPVPVTZEQ-WHFBIAKZSA-N 187.224 1.503 10 10 ADCE CCNCc1ccc(F)cc1O 258194020 UPMHWXCUMDQGLF-UHFFFAOYSA-N 169.199 1.641 10 10 ADCE C[C@@H]1CN[C@H](c2ccc(O)c(O)c2)O1 953005007 PBRCYBWWPZRSCK-LDWIPMOCSA-N 195.218 1.105 10 10 ADCE Cc1cc(CCN=[N+]=[N-])no1 1535851102 VHCVHPMZCXSVGA-UHFFFAOYSA-N 152.157 1.836 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])C1(OC)CCC1 1775958592 LTTHMDMWCQNHPY-LURJTMIESA-N 199.210 1.407 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152.193 1.047 10 10 ADCE Nc1sc2cccc(N)c2c1O 307120779 IELKQBUSUSIWKY-UHFFFAOYSA-N 180.232 1.771 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]2CC(=O)O[C@H]2C1 307416766 ZJMRWHMPBIYVFT-JKUQZMGJSA-N 167.168 1.391 10 10 ADCE CC1(C(=O)NCCCCN=[N+]=[N-])CC1 308550149 RJTBRLMDCBHMSA-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE CCNCc1cccc([N+](=O)[O-])c1O 381636034 BWOUFOBRVRCRJZ-UHFFFAOYSA-N 196.206 1.410 10 10 ADCE N=NNC[C@@H]1NCCc2c#csc21 642827075 XPBJTKSCRCKMDT-ZETCQYMHSA-N 194.263 1.071 10 10 ADCE CC1(C)C[C@H](CN=[N+]=[N-])CN1 1880356767 XEGJHBHGHRGVJH-LURJTMIESA-N 154.217 1.685 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C=C[C@H]1C2 1883811827 OPYSQPNIKIXNHZ-BDAKNGLRSA-N 178.239 1.947 10 10 ADCE CN(CCCN=[N+]=[N-])C1(CO)CCC1 1912153167 DYVHHNBCXHTTHY-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE COC(=O)N1CCC(N=[N+]=[N-])CC1 1912160650 YXYXOBDLPTUBCR-UHFFFAOYSA-N 184.199 1.528 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(Cc2cnoc2)C1 1912203329 CSQIXHVIPAPZLL-MRVPVSSYSA-N 193.210 1.559 10 10 ADCE C[C@H](O)C[C@H](C)N1CC(N=[N+]=[N-])C1 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[N-]=[N+]=NCCCN1C[C@H]2C[C@H]1CS2 322065163 ZCJGWOXAESCHFA-JGVFFNPUSA-N 198.295 1.877 10 10 ADCE O=C1CC[C@H](C2CCC2)CC1=O 575512888 UUHCVIIRKPXUSW-QMMMGPOBSA-N 166.220 1.725 10 10 ADCE CN1C[C@@H]2CC[C@H](C1)N2CCN=[N+]=[N-] 687256578 ZVCNUGUSAKJZGV-DTORHVGOSA-N 195.270 1.075 10 10 ADCE C=CC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 691683234 QTXJBMQNGTUBMN-SSDOTTSWSA-N 180.211 1.474 10 10 ADCE CC1(C)C[C@]1(C)C(=O)NCCN=[N+]=[N-] 702171967 GHSHAPBMSYFVGB-SECBINFHSA-N 196.254 1.849 10 10 ADCE CCO[C@@H](C)CN=[N+]=[N-] 1535799936 BAGXNLVWIKNLLS-YFKPBYRVSA-N 129.163 1.722 10 10 ADCE CCCCC1CC(O)(C(=O)C(C)=O)C1 1885430187 OJRVDBPWYDCZFM-UHFFFAOYSA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]1C1(O)CC1 1886999354 JGSAEMVRZWXBCN-MRVPVSSYSA-N 196.254 1.286 10 10 ADCE CCC1(Nc2ccc(N)cc2)CNC1 1888916072 ZPQHBXCMNNJGRR-UHFFFAOYSA-N 191.278 1.433 10 10 ADCE COc1cnc(CN=[N+]=[N-])nc1 1893612909 YYQMHCDDFWLXHC-UHFFFAOYSA-N 165.156 1.296 10 10 ADCE CC(C)[C@H](N)COc1ccc(N)cc1 1896302641 HDOFUTSZSSFBDV-LLVKDONJSA-N 194.278 1.631 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@H](C2CC2)CO1 1912179254 SFVXFGODCZOPHD-NKWVEPMBSA-N 168.200 1.021 10 10 ADCE CC[C@@H](OC)[C@H](N)c1ccccc1O 1928472627 RWFOWPMOHZWCNA-GHMZBOCLSA-N 195.262 1.817 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCC[C@@H](C)C1 1929129298 HJFWIMOFQOQSHF-GMSGAONNSA-N 184.235 1.086 10 10 ADCE CC[C@](O)(C(=O)C(C)=O)[C@@H]1CC1(C)C 1929188403 UGAQIOPXTLYIDA-LDYMZIIASA-N 198.262 1.332 10 10 ADCE CNCCCCN(C)CCCN=[N+]=[N-] 1957250068 NODPIGCXSPPEPJ-UHFFFAOYSA-N 199.302 1.618 10 10 ADCE CCNC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209521676 WUVXGOKRTZBDQC-RNFRBKRXSA-N 197.242 1.537 10 10 ADCE CCCS(=O)(=O)CCCN=[N+]=[N-] 42416528 PYDTUGZPWNLYRN-UHFFFAOYSA-N 191.256 1.512 10 10 ADCE Cc1cc(O)c([C@H](N)C(=O)O)cc1C 72191110 DKLSOGGNGHWSJQ-VIFPVBQESA-N 195.218 1.093 10 10 ADCE COc1cc(O)c([C@H](C)N)cc1OC 104403207 SXPJYFMEJASUOT-LURJTMIESA-N 197.234 1.429 10 10 ADCE COC[C@@H](N)c1ccc(F)cc1O 104504237 SYBFXMZDBNUWEH-MRVPVSSYSA-N 185.198 1.178 10 10 ADCE CC(C)(C)C=[N+]=[N-] 136046492 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[N-]=[N+]=NC[C@H]1C[C@]2(CCCN2)CO1 536958405 OWBDKEQPGARRKB-HTQZYQBOSA-N 182.227 1.208 10 10 ADCE CC(=O)[C-]1C(C)=C=S=C1C 885247889 ACSJPRARHZGVCG-UHFFFAOYSA-N 153.226 1.436 10 10 ADCE C[C@H](CON)c1ccc(O)c(O)c1 1535859972 FZHHCPBRLYMUGS-ZCFIWIBFSA-N 183.207 1.092 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@@H](N)C2)cc1 1888922353 CQIUSCUKIATGHO-MWLCHTKSSA-N 191.278 1.561 10 10 ADCE [N-]=[N+]=NCc1cc(=O)cc[nH]1 1951461222 RRUUVRUBJXKIMU-UHFFFAOYSA-N 150.141 1.185 10 10 ADCE C[C@@]1(N)CCCN(CCCN=[N+]=[N-])C1 1957244512 QFSGTMBLGBWXJD-SECBINFHSA-N 197.286 1.500 10 10 ADCE CCCN(CCO)c1ccc(N)cc1 42452616 GSTNTGRGVJDGCB-UHFFFAOYSA-N 194.278 1.478 10 10 ADCE [N-]=[N+]=NCCC(=O)c1cccnc1 75457487 KIAGLKTXBDZIBN-UHFFFAOYSA-N 176.179 1.965 10 10 ADCE N[C@H](c1ccccc1O)C1CC1 84329992 MLWLNBUZFKBQLR-JTQLQIEISA-N 163.220 1.802 10 10 ADCE COc1cc(F)cc([C@@H]2CCN2)c1O 95785218 REVJGXFBDFTDNE-QMMMGPOBSA-N 197.209 1.574 10 10 ADCE Cc1ccc(O)c(CNO)c1Cl 214505613 VFJMYXMUOWAWKW-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE CCC1(O)CN(CCCN=[N+]=[N-])C1 384040806 JRQPFQYICLSSGV-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@]1(C)CO 694640988 ATKNXBAEJNBIMK-DTWKUNHWSA-N 198.270 1.247 10 10 ADCE COC[C@H]1CCCN1CCCN=[N+]=[N-] 696537743 WHBSYNZWUGSHFD-SECBINFHSA-N 198.270 1.798 10 10 ADCE NC[C@@H]1C[C@@H]1Nc1ccccc1N 1883153377 NYWTUTXUFAEMOV-XVKPBYJWSA-N 177.251 1.028 10 10 ADCE CN(C)C1CN(CCCCN=[N+]=[N-])C1 1912146209 QKPYRGNTJWUNRI-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C2CCOCC2)C1 1912167808 PORNPLIYYLHKFM-QMMMGPOBSA-N 196.254 1.550 10 10 ADCE C[C@H](CO)CN1CCC[C@@H](N=[N+]=[N-])C1 1912200879 MRVYGWRSQQDCKO-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)[C@H](O)c1cccc(C)c1 1929121142 CRDQGLLWJQOZPR-LLVKDONJSA-N 192.214 1.187 10 10 ADCE O=C(O)CC=Cc1cccc(O)c1O 1951473554 PCRAVHODDZQGHV-UHFFFAOYSA-N 194.186 1.586 10 10 ADCE COCC[C@@H](N)c1cccc(C)c1O 1951597613 STPNQEHNWHUMGY-SNVBAGLBSA-N 195.262 1.737 10 10 ADCE CCOc1cc(C)c(O)c(O)c1 2054939842 NPMGRPZLGGZEKD-UHFFFAOYSA-N 168.192 1.805 10 10 ADCE NC/C=C/COc1ccc(N)cc1 2242020408 ULSBNFZFTDNUSC-OWOJBTEDSA-N 178.235 1.163 10 10 ADCE NCc1c(O)cc(F)c(F)c1F 75926759 WLWVVAPDZCPYLF-UHFFFAOYSA-N 177.125 1.268 10 10 ADCE Oc1cc([C@H]2CCCN2)cc(O)c1O 104681042 MIZQNKCQSZOMSB-SSDOTTSWSA-N 195.218 1.228 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H]1OCC[C@H]2CCN12 138591576 TXLBNGAGKQASMN-RNJXMRFFSA-N 182.227 1.506 10 10 ADCE CC1(CN=[N+]=[N-])COC(=O)OC1 201845907 VYRSTWBWXIJXEU-UHFFFAOYSA-N 171.156 1.470 10 10 ADCE [N-]=[N+]=NCCC1=CCC[C@H](O)[C@H]1O 221437939 KIHOVQWTQHDRIX-YUMQZZPRSA-N 183.211 1.129 10 10 ADCE CSC(=O)c1cc(O)c(O)cc1C 222949539 VDCRWVRFLCVVJF-UHFFFAOYSA-N 198.243 1.909 10 10 ADCE CNC[C@H]1Cc2cc3c(cc21)OCO3 238319932 KLJJNKJLQQPFIG-MRVPVSSYSA-N 191.230 1.274 10 10 ADCE COC[C@@H](N)c1cccc(C)c1O 238380321 AAATUCCVJXQTGH-SECBINFHSA-N 181.235 1.347 10 10 ADCE Cc1cc(O)c(C)c([C@H](C)N)c1O 238804662 PQHKLQZEKNPGFD-ZETCQYMHSA-N 181.235 1.734 10 10 ADCE CONCc1cc(OC)cc(C)c1O 258061775 LIYHKRVISFOSSB-UHFFFAOYSA-N 197.234 1.360 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@@H]1C1CC1 699092494 FMVQZKZFKGMHCE-SFYZADRCSA-N 194.238 1.459 10 10 ADCE C/C=C/CN1CC[C@H](N=[N+]=[N-])C1 1880607304 FJEXEUJACDYWDL-SGJFDWMWSA-N 166.228 1.947 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)[C@H]2CC[C@@H]21 1888265586 KCSXDWZWFGYKJT-CIUDSAMLSA-N 196.254 1.142 10 10 ADCE CC[C@H](C(=O)O)N1CC[C@@H](N=[N+]=[N-])C1 1912163535 KTHNTRNBPFVGNG-RNFRBKRXSA-N 198.226 1.234 10 10 ADCE [N-]=[N+]=NC1CCN(CCCCO)CC1 1912171444 KOMMFKYNDHHOOT-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE C[C@]1(C2CC2)CO[C@H](CN=[N+]=[N-])N1 1912189934 XIMUAFHGIGNCGU-HTQZYQBOSA-N 182.227 1.411 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@]2(CCNC2)CO1 1912197187 PUVIGMMIBDWBTE-SFYZADRCSA-N 182.227 1.065 10 10 ADCE C[C@H](CN=[N+]=[N-])n1cncn1 1951349674 CKUFFGJAJZWOLU-RXMQYKEDSA-N 152.161 1.149 10 10 ADCE COc1nn(C)cc1CN=[N+]=[N-] 1953400580 XCWZCBYFLKQSTL-UHFFFAOYSA-N 167.172 1.239 10 10 ADCE [N-]=[N+]=NC[C@@H](F)C1CCNCC1 1953592264 ZOUONBUKSFPFGG-SSDOTTSWSA-N 172.207 1.634 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2OCC[C@@H]2C1 1954058965 BMWIGESQYWKHCZ-HTQZYQBOSA-N 182.227 1.017 10 10 ADCE Cc1ccc(O)c([C@H](NN)C(C)C)c1 2080473467 GRLDYADBTVUPTL-LLVKDONJSA-N 194.278 1.861 10 10 ADCE CC(C)(N)c1noc(CN=[N+]=[N-])n1 70453720 YZNNQLWLHSABSH-UHFFFAOYSA-N 182.187 1.074 10 10 ADCE CC(C)COc1ccc(O)c(CN)c1 71455202 PYZCXSAVQKVKCI-UHFFFAOYSA-N 195.262 1.886 10 10 ADCE C[C@@H](O)Cc1ccc(N)cc1 79274902 AUNUMGOMVUGJFB-SSDOTTSWSA-N 151.209 1.192 10 10 ADCE CC[C@@H](O)c1cccc(O)c1O 137215122 VCTFYMKANZNZGJ-SSDOTTSWSA-N 168.192 1.541 10 10 ADCE CNCc1c(O)cccc1[N+](=O)[O-] 201836992 WULRASQOOMOLMM-UHFFFAOYSA-N 182.179 1.020 10 10 ADCE Nc1ccc(CN2CC3CC2C3)cc1 213355774 RHBSBFSSRNXNIK-UHFFFAOYSA-N 188.274 1.863 10 10 ADCE COC[C@@H]1CC[C@H](O)[C@H](N=[N+]=[N-])C1 217705980 BQUIOKBNYCHMEN-PRJMDXOYSA-N 185.227 1.473 10 10 ADCE Nc1cccc(CN2CCCC2)c1O 238628208 IQJFUESPLCQJKS-UHFFFAOYSA-N 192.262 1.570 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccncc1 1535881858 IPDPIRWQPQGHMB-ZETCQYMHSA-N 164.168 1.425 10 10 ADCE CCOCC[S@@](=O)CCN=[N+]=[N-] 1880978394 MBWQJTNNSNNSEE-LBPRGKRZSA-N 191.256 1.082 10 10 ADCE CN(c1ccc(N)cc1)[C@@H]1CCNC1 1888914694 HAUYQHWDGSJGMG-LLVKDONJSA-N 191.278 1.067 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2CCCS2)C1 1912208486 UNOBHYUOAWNZBC-MRVPVSSYSA-N 198.295 1.877 10 10 ADCE CC(=O)C(=O)[C@@H](O)CC1CCCCC1 1929170838 WADMWZKQDUZWIQ-JTQLQIEISA-N 198.262 1.476 10 10 ADCE Nc1ccc(CNN2CCCC2)cc1 1929717203 WBRMRUPXCIQIKA-UHFFFAOYSA-N 191.278 1.369 10 10 ADCE CC(C)C[C@H](O)CN1CC(N=[N+]=[N-])C1 1933621564 JJVZZZZCOADITL-VIFPVBQESA-N 198.270 1.388 10 10 ADCE CNCCC=Cc1ccc(O)c(O)c1 1951524273 LAILALDJBKPKEA-UHFFFAOYSA-N 193.246 1.721 10 10 ADCE CO[C@H]1CC[C@@H]1CN=[N+]=[N-] 2208934139 RPDLOPHCVJJVHA-RITPCOANSA-N 141.174 1.722 10 10 ADCE Cc1cccc(CN(C)C)c1O 6071716 ADODSZXYDVUXTG-UHFFFAOYSA-N 165.236 1.762 10 10 ADCE O=C(O)c1sc2cnccc2c1O 84237257 YQNYKBLYMLDASL-UHFFFAOYSA-N 195.199 1.700 10 10 ADCE Oc1ccc2ccc(O)c(O)c2c1O 238670642 LRASORWVDIJLJJ-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE CN1C(=O)CCC[C@H]1CN=[N+]=[N-] 306285578 JOFIKWPEWJEUCM-LURJTMIESA-N 168.200 1.308 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2CC2)C1 403601349 DLIGBFXLOINMLQ-QMMMGPOBSA-N 194.238 1.698 10 10 ADCE Cc1ccc(O)c([C@H](N)CCCN)c1 575440287 ZMPNBOMQOXKYPM-SNVBAGLBSA-N 194.278 1.439 10 10 ADCE [N-]=[N+]=NC[C@H]1NCCc2occc21 575470237 GHILOAFYNYUGNX-SSDOTTSWSA-N 178.195 1.777 10 10 ADCE CCCCN(CCN=[N+]=[N-])[N+](=O)[O-] 687750153 IGAUETGIRBMLHM-UHFFFAOYSA-N 187.203 1.591 10 10 ADCE Oc1ccccc1CN[C@@H]1CC[C@@H]1O 704090413 XSSBOJVXYSBVHV-KOLCDFICSA-N 193.246 1.005 10 10 ADCE CC[C@H](C)N1CC[C@@H](N)[C@H]1CN=[N+]=[N-] 712132863 MRNJCCOUJKKOFU-DJLDLDEBSA-N 197.286 1.497 10 10 ADCE COc1ccc(C(=O)C=[N+]=N)cc1C 725414765 HSSBRRQYHZQRLE-UHFFFAOYSA-N 191.210 1.496 10 10 ADCE [N-]=[N+]=NCCCCn1cccn1 1535654846 ARWHQJMOQQYNFP-UHFFFAOYSA-N 165.200 1.974 10 10 ADCE COc1cncc([C@H](CO)N=[N+]=[N-])c1 1535712953 FELZLAPQMQLXPB-QMMMGPOBSA-N 194.194 1.434 10 10 ADCE CC(=Cc1ccc(O)c(O)c1)[C@H](C)N 1884305872 MLHHHKCVGJKEBL-QMMMGPOBSA-N 193.246 1.848 10 10 ADCE C[C@H]1OCC[C@@H]1CN1CC(N=[N+]=[N-])C1 1884970728 ZAHTVIRISRQPPY-HTQZYQBOSA-N 196.254 1.406 10 10 ADCE C[C@@H]1CCO[C@@H]1CN1CC(N=[N+]=[N-])C1 1912143592 IEZNWFXCOVQJPN-VXNVDRBHSA-N 196.254 1.406 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC[C@@H]1C 1929121667 IRRWRYMKJLHGNI-XVKPBYJWSA-N 184.235 1.086 10 10 ADCE Nc1ccccc1N[C@@H](CO)C1CC1 1930720156 AXMKRPSUAOKLDF-NSHDSACASA-N 192.262 1.452 10 10 ADCE O=C1C[C@H](c2ccc(Cl)cc2O)N1 1951660466 NSVJVWNBSSKMLE-SSDOTTSWSA-N 197.621 1.607 10 10 ADCE [N-]=[N+]=NCCCCN1CC=CCN1 1954209104 YWYAJFGRWXHPBK-UHFFFAOYSA-N 181.243 1.453 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C(C)(C)CN1 1957244345 PLZSUDCHDSPMII-MRVPVSSYSA-N 197.286 1.369 10 10 ADCE CC(C)NCc1sccc1O 2208962587 DAMLONSYIQALAX-UHFFFAOYSA-N 171.265 1.952 10 10 ADCE CC(C)(CO)Nc1ccc(N)cc1 35600050 RZDWEFKRHWCBTD-UHFFFAOYSA-N 180.251 1.452 10 10 ADCE C[C@@H](CO)Nc1ccc(N)cc1 35600397 GUPCYSRHCPSXJP-ZETCQYMHSA-N 166.224 1.062 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1cccs1 42012150 PPYAMSLJICBKGT-UHFFFAOYSA-N 196.235 1.788 10 10 ADCE Cc1ccc(F)c(O)c1[C@H](N)[C@@H](C)O 95716761 JFNILVYSARRBLT-HZGVNTEJSA-N 199.225 1.220 10 10 ADCE CC[C@@H](C)[C@@H](N=[N+]=[N-])C(=O)O 103619709 QRVNRYQHRHOJFD-RFZPGFLSSA-N 157.173 1.796 10 10 ADCE CC(C)CCOC(=O)CN=[N+]=[N-] 108412429 XLUCFHCWOVJMIU-UHFFFAOYSA-N 171.200 1.886 10 10 ADCE C[C@@H]1OCC[C@@H]1N(C)CCCN=[N+]=[N-] 134751573 CFVIHQMWHNIRCK-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CCCCCC(=O)[C@H](O)CN=[N+]=[N-] 136388508 XOUVCVIYVAUQEJ-MRVPVSSYSA-N 185.227 1.807 10 10 ADCE [N-]=[N+]=N[C@H]1CC2(CCC1=O)OCCO2 136686280 OOARZSBQYGBXSL-LURJTMIESA-N 197.194 1.161 10 10 ADCE CC[C@H](N=[N+]=[N-])OC 196490179 BUCMUIXBDAVFQS-SCSAIBSYSA-N 115.136 1.679 10 10 ADCE CCc1cc(F)c(O)c(CNC)c1 212034751 QXWBHEIFDBSMSK-UHFFFAOYSA-N 183.226 1.813 10 10 ADCE COc1cc(O)c2c(c1)CCNC2 212809754 AAINUAFIUVBZBW-UHFFFAOYSA-N 179.219 1.047 10 10 ADCE C[C@@H](N)c1c(O)cc(N)cc1F 238416046 SNWCRBDORGUMRS-SCSAIBSYSA-N 170.187 1.133 10 10 ADCE [N-]=[N+]=NCCC[C@H](O)N=[N+]=[N-] 238668780 UELPNNGDRKYCJQ-BYPYZUCNSA-N 156.149 1.706 10 10 ADCE Oc1ccc2cnncc2c1O 238672917 BVWQZTCPONXVHO-UHFFFAOYSA-N 162.148 1.041 10 10 ADCE CONCc1ccc(F)c(F)c1O 258179067 WLCXVJJDAUKXIK-UHFFFAOYSA-N 189.161 1.321 10 10 ADCE COc1ccc(N(C)CO)cc1OC 258957683 SHTXQECDCWDHRX-UHFFFAOYSA-N 197.234 1.090 10 10 ADCE [N-]=[N+]=NC/C=C\[C@@H]1C[C@@H]1C(=O)O 307911701 HGEIQQBQAMBDGB-HYWJCEODSA-N 167.168 1.574 10 10 ADCE CCNC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 885853963 CAGYZLZKVWHUMF-ZETCQYMHSA-N 197.242 1.348 10 10 ADCE [N-]=[N+]=NCc1ccnnc1 1880134105 PRBVLSLKXHDDNK-UHFFFAOYSA-N 135.130 1.287 10 10 ADCE Oc1ccc(CN[C@H]2C[C@@H]2F)c(O)c1 1887537148 NKUQZHYMHXWSJX-IUCAKERBSA-N 197.209 1.298 10 10 ADCE CCCN(CCN)c1ccc(N)cc1 1888922482 FYKGMCAASJXEOO-UHFFFAOYSA-N 193.294 1.444 10 10 ADCE C[C@H](O)[C@@H](C)N1CCC(N=[N+]=[N-])CC1 1912193157 MJOVEPDYFOUHAM-SFYZADRCSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cccc(F)n1 1951450994 YVTOQELTRILGGP-LURJTMIESA-N 182.158 1.564 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H](CCN)C1 1957244728 SJGPQXVLEGMONV-SECBINFHSA-N 197.286 1.358 10 10 ADCE CCc1cc(CC(=O)O)cc(O)c1O 2060129704 RKSLWKHZVDAWLR-UHFFFAOYSA-N 196.202 1.287 10 10 ADCE CC=CNC(=O)Nc1ccc(N)cc1 2325910078 MJAJGWYUCLZHKY-UHFFFAOYSA-N 191.234 1.924 10 10 ADCE Cc1c(O)c(O)c2c(c1O)COC2 13480566 NLDWCGRZUCWZSL-UHFFFAOYSA-N 182.175 1.142 10 10 ADCE CC[S@@](=O)CCCN=[N+]=[N-] 42416631 YURYQBFFSQEZRY-JTQLQIEISA-N 161.230 1.455 10 10 ADCE Cc1cccc(C(=O)C=[N+]=[N-])c1 80125340 FZUZAYDXKLWUDJ-UHFFFAOYSA-N 160.176 1.478 10 10 ADCE NC1(c2cc(F)ccc2O)CCC1 82873610 WMBLKHGZIUCXEG-UHFFFAOYSA-N 181.210 1.869 10 10 ADCE [N-]=[N+]=CC(=O)c1ccc(F)cc1F 84447163 SAOPPHRBEOZRQX-UHFFFAOYSA-N 182.129 1.448 10 10 ADCE C[C@H]1CCCCN1C(=O)CN=[N+]=[N-] 104702111 YJXXBKPIKYNFMH-ZETCQYMHSA-N 182.227 1.698 10 10 ADCE CNCc1cc(F)c(F)cc1O 107333311 PBSYJSJWXOTRIA-UHFFFAOYSA-N 173.162 1.390 10 10 ADCE C[C@H](c1cc(N)ccc1O)N(C)C 138213973 DXFGKUXGGUCFMD-SSDOTTSWSA-N 180.251 1.597 10 10 ADCE CC(C)(C)/N=N/C(C)(C)C(N)=O 146065614 OEMTZZFHERWJMG-ZHACJKMWSA-N 171.244 1.501 10 10 ADCE COc1ccc(O)c2c1CCNC2 212808536 DBQAVMWVQZMSGJ-UHFFFAOYSA-N 179.219 1.047 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@@]1(O)C(=O)O 215881617 RJYPPVHFHOYCOZ-VDTYLAMSSA-N 185.183 1.055 10 10 ADCE CN[C@H](C)c1c(O)cccc1O 221208630 BMRLFBXZNOJTGU-ZCFIWIBFSA-N 167.208 1.378 10 10 ADCE Oc1cccc2c1[C@@H](C1CC1)NC2 221265803 FDMGQNNQZQZWTH-LLVKDONJSA-N 175.231 1.947 10 10 ADCE [N-]=[N+]=NCc1nc(C(=O)O)cs1 238698856 RWMZSGLXSGQTCZ-UHFFFAOYSA-N 184.180 1.652 10 10 ADCE Oc1ccc(OC(F)(F)F)c(O)n1 238721094 JJZGQNYISAWZBZ-UHFFFAOYSA-N 195.096 1.391 10 10 ADCE C[C@H](N)c1cc2c(c(F)c1O)OCO2 258257563 YFFUHVFWEOMSKP-BYPYZUCNSA-N 199.181 1.280 10 10 ADCE COc1ccc(N(C)CO)c(OC)c1 258968503 USSGOXLJDKDTNH-UHFFFAOYSA-N 197.234 1.090 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@@H]2OC(=O)C[C@H]21 306348052 GDTPOQHXUXZNQC-XVMARJQXSA-N 181.195 1.781 10 10 ADCE CC1(C)CCN(CCN=[N+]=[N-])C1=O 306866343 NOKLKJPSZXKKEJ-UHFFFAOYSA-N 182.227 1.555 10 10 ADCE Nc1c(F)ccc([C@@H](N)CF)c1O 306945211 KGELKWQZSKYUOG-LURJTMIESA-N 188.177 1.083 10 10 ADCE C[C@@H]1C/C(=C\c2nccn2C)CCN1 690650406 WPYOUJMKPULGIF-URLRMUCDSA-N 191.278 1.575 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@H](N)CCN1CC1CC1 712053689 CLJCYTPFEWGTFV-RKDXNWHRSA-N 195.270 1.108 10 10 ADCE COC[C@]12C[C@](CN=[N+]=[N-])(CO1)C2 1884195056 CWTBSKHECPZMPY-OCAPTIKFSA-N 183.211 1.492 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H](C)[C@H](C)O 1887712150 HBQZJIDDVDCEDX-YUMQZZPRSA-N 186.259 1.388 10 10 ADCE C[C@@H]1CCOC[C@@H]1N(C)CCN=[N+]=[N-] 1912173112 JNUGSNHOGHJGTG-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE CC[C@@H]1CCC[C@](O)(C(=O)C(C)=O)C1 1929195352 FOFIDUKKNJLSCB-MWLCHTKSSA-N 198.262 1.476 10 10 ADCE C[C@H](O)C[C@H](C)N1CC[C@H](N=[N+]=[N-])C1 1934011865 BKNVDWXHQLMCLN-CIUDSAMLSA-N 198.270 1.530 10 10 ADCE O=C1CN[C@@H](c2cccc(F)c2O)C1 1951964881 HKECGVOLTBZMHH-SECBINFHSA-N 195.193 1.135 10 10 ADCE O=C1CO[C@@H](c2cccc(O)c2O)C1 1952135133 KPXHXCFBXGDCOV-SECBINFHSA-N 194.186 1.128 10 10 ADCE [N-]=[N+]=NCCCN1CCN[C@@H]2CC[C@H]21 1957243219 DHLRVFWYZBKVAX-RKDXNWHRSA-N 195.270 1.123 10 10 ADCE C[S@](=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209004270 FKDYGXFPHTXIFW-YZGOCOMISA-N 188.256 1.101 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@]2(CCO2)CC[C@H]1O 2209237311 FIXNAJGTSIQWOY-BWZBUEFSSA-N 183.211 1.369 10 10 ADCE O=C1c2ccccc2-c2[nH]c(=O)ccc21 39112587 WZMBZJVPPGWAPI-UHFFFAOYSA-N 197.193 1.586 10 10 ADCE Nc1ccc(N2CCCOC2=O)cc1 41054528 JHBVIQFKBYKNOK-UHFFFAOYSA-N 192.218 1.616 10 10 ADCE CC(=O)OCc1ccc(O)c(O)c1 82043906 CMMYHLRBPWWCCJ-UHFFFAOYSA-N 182.175 1.161 10 10 ADCE C[C@H](N)c1c(O)cc(F)cc1F 95706504 IEFWXOBKRBXWIK-BYPYZUCNSA-N 173.162 1.690 10 10 ADCE CCC[C@H](O)[C@H](N)c1ccccc1O 95806908 JINCWGMBBPJIAR-WDEREUQCSA-N 195.262 1.553 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCO1 200233767 RSZAWSYJBRTJDP-YFKPBYRVSA-N 127.147 1.823 10 10 ADCE Nc1ccc2c(c1)C(=O)CC2=O 201442922 RDUSFFJQLCZEQS-UHFFFAOYSA-N 161.160 1.038 10 10 ADCE COc1ccc(CN)c(O)c1Cl 214506151 HLQJAHJUZKMYPT-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE CC(C)(N)c1ccc2ocnc2c1O 214684788 HJHYUASDYRYRHZ-UHFFFAOYSA-N 192.218 1.727 10 10 ADCE C[C@H]1CO[C@H](C)CN1CCN=[N+]=[N-] 218113918 HEXVSLXJTAXODK-JGVFFNPUSA-N 184.243 1.406 10 10 ADCE CC(=O)Nc1cscc1O 238100496 IGVKWJIOVKEKDH-UHFFFAOYSA-N 157.194 1.412 10 10 ADCE Oc1cc(O)c2c(c1O)CCCC2 238719829 ZDJQHUDSHHDYNB-UHFFFAOYSA-N 180.203 1.682 10 10 ADCE CO[C@H]1CCN[C@@H]1c1ccccc1O 257828060 IFMHTLYLSLMLLT-WDEREUQCSA-N 193.246 1.442 10 10 ADCE C[C@]1(c2cccc(O)c2O)CCCN1 257989351 FMFLAJKDXWTEIV-LLVKDONJSA-N 193.246 1.696 10 10 ADCE N=C(N=Nc1ccccc1)NO 383481635 YWZQCCILSXQAEH-UHFFFAOYSA-N 164.168 1.684 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])[C@@H]1C 575563385 ZBDJRVUTFHLXAH-RNFRBKRXSA-N 154.217 1.637 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2C[C@@H]21 707091128 XHYPZJGNSJRCHA-YUMQZZPRSA-N 166.228 1.781 10 10 ADCE Nc1ccc(NC(=O)OC2CC2)cc1 713275536 HHPZXJGNAYUOCB-UHFFFAOYSA-N 192.218 1.980 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])CCO1 720457821 YMFKOPIHCZCNLJ-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE Oc1ccc([C@H]2NCCCO2)cc1O 953124170 YDGQKGDKOMXFHF-JTQLQIEISA-N 195.218 1.106 10 10 ADCE NC[C@H]1C[C@H]1c1ccc(O)c(O)c1 1535868473 PYVPHZIOBRHSFN-SFYZADRCSA-N 179.219 1.160 10 10 ADCE CCN(CCN=[N+]=[N-])[S@](=O)CC 1887717391 JWUHPNPZXCECLI-GFCCVEGCSA-N 190.272 1.302 10 10 ADCE CC(=O)C(=O)c1ccnc(C)c1 1951935129 YGYNMEHBKYMSNM-UHFFFAOYSA-N 163.176 1.162 10 10 ADCE C[C@H](N)[C@@H](N=[N+]=[N-])c1ccncc1 1954080809 DSVJHDNQECWKBH-POYBYMJQSA-N 177.211 1.780 10 10 ADCE CNC[C@@H](C)N(C)CCCN=[N+]=[N-] 1954208323 LKUYYQGWCNZOEK-MRVPVSSYSA-N 185.275 1.227 10 10 ADCE Nc1ccc(N2CCO[C@H]3C[C@H]32)cc1 1956876880 MTQZHSZJQHRJCJ-MNOVXSKESA-N 190.246 1.246 10 10 ADCE CN(CCCCN=[N+]=[N-])C[C@H]1CCN1 1957244316 OYSSQHYSSYVXTK-SECBINFHSA-N 197.286 1.371 10 10 ADCE Nc1cc(O)c(O)c(C(F)F)c1 2055240916 FWFZZMNHJLEGBV-UHFFFAOYSA-N 175.134 1.618 10 10 ADCE CNC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2209151903 NDNJYTHSAMVWDF-NTSWFWBYSA-N 183.215 1.147 10 10 ADCE Oc1ccc2c(O)cc(O)c(O)c2c1 62719997 SXFSTMCQYLCLPB-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)c1cccnc1 75458026 OUMGGCNCVPINHZ-MRVPVSSYSA-N 178.195 1.815 10 10 ADCE C[C@H](O)Cc1ccc(N)cc1 79274901 AUNUMGOMVUGJFB-ZETCQYMHSA-N 151.209 1.192 10 10 ADCE CCc1ccc(O)c([C@@H](N)C(=O)O)c1 82895423 IJQVASHXOIBHLY-SECBINFHSA-N 195.218 1.039 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCCO1 83527974 HNDFXTASCJFVQG-LURJTMIESA-N 141.174 1.866 10 10 ADCE CN[C@@H](C)c1ccc(N(C)C)cc1O 86569692 HKQHPSSVSCKZPT-QMMMGPOBSA-N 194.278 1.739 10 10 ADCE Cc1ccc([C@H](C)NO)c(O)c1 132184993 BZQQZQOZCRRZCI-ZETCQYMHSA-N 167.208 1.740 10 10 ADCE C[C@@H](CO)CN(C)c1ccc(N)cc1 161981064 MDWHKRPLSYRNFP-SECBINFHSA-N 194.278 1.333 10 10 ADCE COC(=O)[C@@H]1CC[C@H](CN=[N+]=[N-])C1 196933078 ZACMFJQANFMAGV-NKWVEPMBSA-N 183.211 1.886 10 10 ADCE [N-]=[N+]=N[C@H]1C=CCC[C@H]1O 197090604 ZHXMGQUMFCWLHF-NTSWFWBYSA-N 139.158 1.376 10 10 ADCE CC(=S)/C=C(/N)C(F)(F)F 216475956 MOERDFTXNGVSDF-DUXPYHPUSA-N 169.171 1.781 10 10 ADCE C[C@@H](NC1CC1)c1c(O)cccc1O 235178548 ZVQFFEFXGJCLRL-SSDOTTSWSA-N 193.246 1.911 10 10 ADCE CCOc1ccc2c(c1)[C@@H](O)CN2C 527411294 NUDQZGOJNYADNH-NSHDSACASA-N 193.246 1.569 10 10 ADCE [N-]=[N+]=NCCCN1CC(CCCN)C1 1897112183 YYBRQRAZKWAENJ-UHFFFAOYSA-N 197.286 1.358 10 10 ADCE CCOC[C@H](NC)c1ccccc1O 1928472831 UXMUCGHAVOCHJU-JTQLQIEISA-N 195.262 1.689 10 10 ADCE COCc1cc(CN=[N+]=[N-])on1 1953418685 GUCJMVNDFBEXRS-UHFFFAOYSA-N 168.156 1.631 10 10 ADCE Nc1ccc(C[C@H]2CCCO2)cc1 78499064 FJSRKYMNJQZGRE-LLVKDONJSA-N 177.247 1.990 10 10 ADCE COc1ccc(C(=O)C=[N+]=[N-])cc1F 84454528 HLCVJGMRGGSMTN-UHFFFAOYSA-N 194.165 1.318 10 10 ADCE CCNC(=O)c1ccsc1N 104946983 RMLYRBUXOMAQTO-UHFFFAOYSA-N 170.237 1.080 10 10 ADCE C[C@H](O)CCOCc1ccc(N)cc1 133426050 VQABKPIWWJJMOY-VIFPVBQESA-N 195.262 1.556 10 10 ADCE [N-]=[N+]=NCC(=O)[C@@H]1CCC[C@H](O)C1 143182476 MDFMNPBOVJONFF-RQJHMYQMSA-N 183.211 1.417 10 10 ADCE Cc1cccc(O)c1[C@@H](C)N 145531832 WAZZURDGDKLQLZ-SSDOTTSWSA-N 151.209 1.720 10 10 ADCE COC(=O)C(N=[N+]=[N-])N=[N+]=[N-] 238368891 ZXZNYWMATGWJKK-UHFFFAOYSA-N 156.105 1.106 10 10 ADCE CO[C@@H]1C=C[C@@H](N=[N+]=[N-])[C@@H](C)O1 238383282 ANGHUPFLXKHFII-QYNIQEEDSA-N 169.184 1.613 10 10 ADCE Oc1c(F)ccc(F)c1[C@H]1CCN1 238723644 QVTPWTLVNKMQNI-SSDOTTSWSA-N 185.173 1.705 10 10 ADCE Cc1cc(C)c([C@H](N)CO)c(O)c1C 259581752 YHAIKYMDVBTAAF-SECBINFHSA-N 195.262 1.310 10 10 ADCE CCC(=O)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 306505705 FPVNEDUCPFWBKI-CIUDSAMLSA-N 178.231 1.747 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2C[C@H]1CC2=O 306704727 NXHQNLBEFDQDAQ-HCWXCVPCSA-N 151.169 1.664 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C2CC2)C1=O 575568609 AHFPGOTXHOERPU-ZCFIWIBFSA-N 166.184 1.060 10 10 ADCE [N-]=[N+]=NCC1(CN)CC1 1775956132 UVTCBDINHWFZES-UHFFFAOYSA-N 126.163 1.036 10 10 ADCE NC[C@@H]1C[C@H]1COc1ccc(N)cc1 1877579707 ADQQPTRTLOPASB-IUCAKERBSA-N 192.262 1.242 10 10 ADCE CNC[C@@H](C)Nc1ccc(N)cc1 1883132552 ADNFKSHOBLWODB-MRVPVSSYSA-N 179.267 1.289 10 10 ADCE Cc1cccc(N)c1N[C@H]1C[C@H]1CN 1888932847 ANIQHMOWJMTOJC-WPRPVWTQSA-N 191.278 1.336 10 10 ADCE CC(=O)C(=O)[C@@H](O)C1(C)CCCC1 1929197997 AZDCAVDTIVKDTJ-SECBINFHSA-N 184.235 1.086 10 10 ADCE COc1ccnc(O)c1CN=[N+]=[N-] 1952219065 RQMBYSQHLKTHLO-UHFFFAOYSA-N 180.167 1.606 10 10 ADCE NC[C@]1(F)C[C@@H]1c1cccc(O)c1O 1952671470 UVLIODTVKMPDDJ-GMSGAONNSA-N 197.209 1.252 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@@H]21 1955369114 APEYEGCKSAEIPC-OOJXKGFFSA-N 192.222 1.164 10 10 ADCE CN1CCN(CCN=[N+]=[N-])[C@@H]2CC[C@H]21 1956640039 YBAFVIDTTFAAIU-RKDXNWHRSA-N 195.270 1.075 10 10 ADCE Cc1cccc([C@H](NN)C(C)C)c1O 2080473325 CIBFWCAKHMONNZ-SNVBAGLBSA-N 194.278 1.861 10 10 ADCE COc1ccc(N2CC(O)C2)c(F)c1 2209623491 WGKDCNWYNXWOJC-UHFFFAOYSA-N 197.209 1.015 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@]2(O)C[C@@H]2C1 2241316006 GKJNJEZAPPLFIU-BDAKNGLRSA-N 196.254 1.144 10 10 ADCE Cc1cc(C(=O)NCCN=[N+]=[N-])on1 42012452 XREWAOJFNDUEMO-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE CCN(C[C@H](C)O)c1ccc(N)cc1 79166822 SQTVDLHYKBOORA-VIFPVBQESA-N 194.278 1.476 10 10 ADCE CC[C@](C)(N)c1cc(OC)ccc1O 95758095 IXTJKPLRQFMCOF-NSHDSACASA-N 195.262 1.985 10 10 ADCE COCCONCc1ccccc1O 134317810 HOMPLLPIWWMJNP-UHFFFAOYSA-N 197.234 1.060 10 10 ADCE CO[C@H](CN=[N+]=[N-])CC(=O)CC(C)=O 137232717 FJOVBCHNBQPCQY-QMMMGPOBSA-N 199.210 1.250 10 10 ADCE C[C@H]1C=NN(c2ccc(N)cc2)C1=O 212105979 IJFRPDVTDKKHPM-ZETCQYMHSA-N 189.218 1.237 10 10 ADCE CCOc1cc(O)c2c(c1)OC[C@@H]2N 238271671 LHCAGVWTKHIRAC-ZETCQYMHSA-N 195.218 1.183 10 10 ADCE C[C@@H]1CC(=O)C(=O)CC1(C)C 238406060 OABDHONXORFDSY-ZCFIWIBFSA-N 154.209 1.581 10 10 ADCE COc1c(O)c(C)c(C)c(O)c1O 238431152 BPIJAZCQKIVWIQ-UHFFFAOYSA-N 184.191 1.429 10 10 ADCE Cc1ccc(F)c([C@H](N)CF)c1O 238492468 QIWKWOJRAKISNQ-SSDOTTSWSA-N 187.189 1.809 10 10 ADCE C[C@@]1(c2ccccc2O)COC(=O)N1 257844490 NHKQJHBNCRMQQK-JTQLQIEISA-N 193.202 1.347 10 10 ADCE C[C@@H](O)Cc1ccc(F)c(O)c1O 258078102 MTTJTZUAKDSEAU-RXMQYKEDSA-N 186.182 1.160 10 10 ADCE CONCc1c(C)ccc(OC)c1O 258176545 WGGCIYMQKXJDCH-UHFFFAOYSA-N 197.234 1.360 10 10 ADCE [N-]=[N+]=N[C@]1(CF)CC[C@H]2OC[C@H]1O2 306620266 WUDUYITVWLXJPL-VQVTYTSYSA-N 187.174 1.540 10 10 ADCE [N-]=[N+]=N/C(=C/c1ccn[nH]1)C(=O)O 308080391 IIBBDTABYYATDD-HWKANZROSA-N 179.139 1.146 10 10 ADCE C[C@@H]1[C@@H](N(C)C)CCN1CCN=[N+]=[N-] 381783183 GEUUFZLKELPHAN-BDAKNGLRSA-N 197.286 1.321 10 10 ADCE Cc1cnn(C)c1[C@H](CO)N=[N+]=[N-] 1535761750 MDFCVUHSGHOZJW-LURJTMIESA-N 181.199 1.072 10 10 ADCE C[C@H]1C(=O)CC[C@@H]1N=[N+]=[N-] 1880027466 FIMLDTFZEXVBRM-UHNVWZDZSA-N 139.158 1.664 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCC[C@H](C(=O)O)O1 1883299337 NKKFGTNRTVKODZ-NTSWFWBYSA-N 185.183 1.319 10 10 ADCE CC[C@@]1(C)CN(CCN=[N+]=[N-])CCO1 1912155358 HNAKPYYBVIVJGG-VIFPVBQESA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H](O)CC12CCC2 1934430428 LJNHDHSVWUIZCP-QMMMGPOBSA-N 196.254 1.286 10 10 ADCE COCC[C@H](N)c1c(O)cccc1F 1951603302 YCESXNGLGAVDKK-QMMMGPOBSA-N 199.225 1.568 10 10 ADCE CC[C@H](N)CN(C)CCCN=[N+]=[N-] 1954208822 UDUFLXKCHJQPOR-QMMMGPOBSA-N 185.275 1.356 10 10 ADCE CCCN=c1[nH]nc(CN=[N+]=[N-])s1 1954833871 YDNLSKULTATDBN-UHFFFAOYSA-N 198.255 1.592 10 10 ADCE NN[C@@H](c1ccc(F)cc1O)C1CC1 2080465886 UXGAVCKNMLKWCW-SNVBAGLBSA-N 196.225 1.446 10 10 ADCE C[C@@H](O)COCc1ccc(N)cc1 83676050 IVVZBBQUTMWWDE-MRVPVSSYSA-N 181.235 1.166 10 10 ADCE Cc1ccc(O)c([C@@H](N)CCO)c1C 108305152 OIUCUCZCXUOPAC-VIFPVBQESA-N 195.262 1.391 10 10 ADCE Cc1cc2cc(O)c(O)cc2n1C 138765679 JBYRAXMQDJLWBC-UHFFFAOYSA-N 177.203 1.898 10 10 ADCE CC[C@@H](N=[N+]=[N-])[C@H](C)C(=O)O 206602914 PJHWUVDKSTXEFO-CRCLSJGQSA-N 157.173 1.796 10 10 ADCE Nc1cc(Cl)cc(O)c1O 212083237 PETWHPBOEHVOBD-UHFFFAOYSA-N 159.572 1.333 10 10 ADCE N[C@H]1CCOc2ccc(F)c(O)c21 238605984 IYECNLZAGIJZAO-LURJTMIESA-N 183.182 1.314 10 10 ADCE CCC[C@@H](CO)N=[N+]=[N-] 238795772 PYCYATSNYNMIHK-YFKPBYRVSA-N 129.163 1.458 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])[C@@H](C)C1CC1 238801167 OOOJAKDLZDVZKE-CAHLUQPWSA-N 183.211 1.884 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C1 306308203 WNPFKYCANDRCSD-VPENINKCSA-N 168.160 1.499 10 10 ADCE c1ccc(N=NN2CCNCC2)cc1 382641066 WOFAPPKBZWDMRX-UHFFFAOYSA-N 190.250 1.591 10 10 ADCE C[S@](=O)CCCc1ccc(N)cc1 388598395 DSDLNTVTXZOUEX-ZDUSSCGKSA-N 197.303 1.580 10 10 ADCE [N-]=[N+]=NC[C@@H]1NCCc2occc21 575470238 GHILOAFYNYUGNX-ZETCQYMHSA-N 178.195 1.777 10 10 ADCE C[C@@H]1COC[C@@H]1N(C)CCCN=[N+]=[N-] 710951142 FTLXCJLEMVIMBT-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE CC[C@@H]1C(=O)C(=O)[C@H](C)C1(C)C 1615890646 NAMKSIDECKHWMD-NKWVEPMBSA-N 168.236 1.827 10 10 ADCE CS(=O)(=O)[C@@H]1CCC[C@H]1N=[N+]=[N-] 1857785679 IQNPUPHSNSUWBD-PHDIDXHHSA-N 189.240 1.262 10 10 ADCE Cc1ncnc(CN=[N+]=[N-])c1C 1881615821 HANGZCFCEQGWIQ-UHFFFAOYSA-N 163.184 1.904 10 10 ADCE Nc1ccc(NC[C@@H]2CCN2)cc1 1883132838 HYCVPJKXVAADES-JTQLQIEISA-N 177.251 1.043 10 10 ADCE C[C@@H](CN)N(C)CCCCN=[N+]=[N-] 1888775021 QYUCSXVJBVIZPM-QMMMGPOBSA-N 185.275 1.356 10 10 ADCE CC(=O)C(=O)c1ccc2cc[nH]c2c1 1951490220 LNDMXXNYJONEBS-UHFFFAOYSA-N 187.198 1.940 10 10 ADCE CN[C@H](COC)c1cccc(O)c1O 1951841671 CLODOKMMWCCILR-MRVPVSSYSA-N 197.234 1.005 10 10 ADCE O=C1CCN[C@H]1c1ccc(F)cc1O 1951857781 VWCZAQQZNLWNTI-JTQLQIEISA-N 195.193 1.135 10 10 ADCE CNCc1sc(C)c(C)c1O 2208964130 PRAGXDAMOLNSRO-UHFFFAOYSA-N 171.265 1.790 10 10 ADCE COc1ccc(O)c(O)c1OC 34164823 UVNRAOUIOBZBCS-UHFFFAOYSA-N 170.164 1.115 10 10 ADCE CC(=O)Nc1nc(CN=[N+]=[N-])cs1 42390709 MGLYTNVEATVOHD-UHFFFAOYSA-N 197.223 1.912 10 10 ADCE N#CN/N=N/c1ccc(F)cc1 59212973 DRFBJAMYHFCDNK-UHFFFAOYSA-N 164.143 1.895 10 10 ADCE Nc1cc(O)c(O)c2ccccc12 59376738 BMBCZQQICGADPE-UHFFFAOYSA-N 175.187 1.833 10 10 ADCE C[C@@H](N)c1c(O)ccc2c1OCO2 212026770 FHURCSLFQFDIHP-RXMQYKEDSA-N 181.191 1.141 10 10 ADCE CC[C@@H]1C[C@]1(N)c1ccccc1O 212717471 DRGUZRZVIQTZKA-LDYMZIIASA-N 177.247 1.976 10 10 ADCE CC1(C)C(=O)C(=O)[C@H]2C=C[C@H]1C2 238218335 AUKAPCRHYLYAEO-BQBZGAKWSA-N 164.204 1.357 10 10 ADCE CSC[C@H]1COC(=O)[C@@H]1N=[N+]=[N-] 238374705 QGMCIURLKRDROD-RFZPGFLSSA-N 187.224 1.201 10 10 ADCE C[C@@]12CCCC[C@@H]1CC(=O)C2=O 238429227 WJIRHNVURXUYTR-GMSGAONNSA-N 166.220 1.725 10 10 ADCE COc1c(O)cc(O)c2c1CC[C@@H]2N 238434813 XPBORBFQTXLPHF-LURJTMIESA-N 195.218 1.052 10 10 ADCE Cc1ccc([C@@H]2CCC(=O)N2)c(O)c1 238511231 DDWNQSXQZIHJQF-VIFPVBQESA-N 191.230 1.652 10 10 ADCE Cc1c(N)c(Cl)cc(O)c1O 238514779 GODGQUDCBRHESE-UHFFFAOYSA-N 173.599 1.642 10 10 ADCE COc1c(C)ccc(C(C)(C)N)c1O 258011382 HJRUTRYWIBCRDW-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE C[C@H]1COCCN(CCCN=[N+]=[N-])C1 399643455 YWRLOBWNOPBEHU-SECBINFHSA-N 198.270 1.655 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1C[C@@H]1F 1882851802 YUFFUFLUNIWFNL-YUMQZZPRSA-N 186.234 1.977 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@H]2CCC[C@H]1C2 1906787225 WYWDPFCBSGTNOS-QXEWZRGKSA-N 196.246 1.086 10 10 ADCE C[C@H](O)[C@@H](C)N1CCC[C@H](N=[N+]=[N-])C1 1912159816 MVMQFWCACHHSMJ-VGMNWLOBSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCNCC1(F)F 1912189717 WHNVKSZWEQTDDB-YFKPBYRVSA-N 176.170 1.542 10 10 ADCE CC1(C)C[C@@H](O)CN1CCCN=[N+]=[N-] 1934007767 ODXQWFXSQDMRMF-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cc(O)ccn1 1951600036 HAARQSYHPBOYCE-SSDOTTSWSA-N 180.167 1.131 10 10 ADCE NC[C@@]1(F)C[C@@H]1c1cccc(O)c1O 1952671474 UVLIODTVKMPDDJ-XCBNKYQSSA-N 197.209 1.252 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1cccc(N)c1 1954081539 PVJPVAYNMLXSMS-QMMMGPOBSA-N 178.195 1.613 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H](N)C2(CC2)C1 1957244889 TXZFIDCMHMMQIY-QMMMGPOBSA-N 195.270 1.110 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(Cc2ncco2)C1 2242191193 WUSSQQVJJPUWFH-SSDOTTSWSA-N 193.210 1.559 10 10 ADCE O=Cc1cc(O)c(O)c2c1CCC2 70455193 BVKKHPBKRVEHGR-UHFFFAOYSA-N 178.187 1.399 10 10 ADCE biogenic,in-vitro Cc1ccc(CNO)c(O)c1 82842058 YWVCOLWFMCFKRX-UHFFFAOYSA-N 153.181 1.179 10 10 ADCE C[C@H]1C[C@H](c2ccc(O)c(O)c2)CN1 82892603 KAAJSHDDAUFGPE-CBAPKCEASA-N 193.246 1.563 10 10 ADCE C[C@H](N)c1cc(S)ccc1O 211709621 NHWUUYVRGUVMRN-YFKPBYRVSA-N 169.249 1.701 10 10 ADCE Cc1cc(N)c(O)c([C@@H]2CCN2)c1 238471673 PHSZJGRNKBKHIT-VIFPVBQESA-N 178.235 1.317 10 10 ADCE C[C@]12CCCC[C@H]1CC(=O)C2=O 238510906 WJIRHNVURXUYTR-XVKPBYJWSA-N 166.220 1.725 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H]2CC(=O)O[C@@H]21 238629558 HHMUXVSLVVLBLC-BFHQHQDPSA-N 165.152 1.167 10 10 ADCE C=Cc1ccc(O)c2c1OC[C@H]2N 238646913 GGNNUUORXXWBQR-SSDOTTSWSA-N 177.203 1.427 10 10 ADCE CONCc1ccc(SC)cc1O 258154312 OXKPJZQHOKKLFR-UHFFFAOYSA-N 199.275 1.765 10 10 ADCE C[C@H](O)[C@H](C)Nc1c(N)cccc1F 307603663 UGOZKTZRTQJKKX-BQBZGAKWSA-N 198.241 1.589 10 10 ADCE Cc1ccc(O)c(CN2CC(F)C2)c1 753577815 ZZTWCFDWFNYKEN-UHFFFAOYSA-N 195.237 1.854 10 10 ADCE C[C@@H]1CNC[C@H]1Oc1ccc(N)cc1 1877581341 SXQOBFJZNZRBBB-LDYMZIIASA-N 192.262 1.256 10 10 ADCE CC=C(C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1888807021 FEQTXPOVDIJXEP-QMMMGPOBSA-N 194.238 1.864 10 10 ADCE CO[C@@H]1CC[C@@H]1CN1CC(N=[N+]=[N-])C1 2209824361 WQVNEWKBIJQWCO-VXNVDRBHSA-N 196.254 1.406 10 10 ADCE [N-]=[N+]=NCCCS[C@@H]1CC[C@@H]1O 2242409719 PJMWUJRISNARAB-NKWVEPMBSA-N 187.268 1.943 10 10 ADCE C[C@@H]1NCc2cccc(N)c2N[C@H]1C 38866129 HBCQOPCEEZENQF-YUMQZZPRSA-N 191.278 1.561 10 10 ADCE CC1=NN[C@@H](c2ccccc2O)C1 48544908 XAVAGKOVTZLSSJ-SECBINFHSA-N 176.219 1.803 10 10 ADCE NCCCCc1ccc(N)cc1 59512232 PHPXSWXCZWIGBS-UHFFFAOYSA-N 164.252 1.550 10 10 ADCE C[C@H](Nc1ccc(N)cc1)C(=O)O 59540250 CZKBOQAAEZZWNN-LURJTMIESA-N 180.207 1.154 10 10 ADCE C/C(=C/c1cccc(O)c1O)[N+](=O)[O-] 83253482 IDRBVDNKIKWRPE-WAYWQWQTSA-N 195.174 1.735 10 10 ADCE C[C@H]1Cc2cc(CN)ccc2N1C 84250236 FALXRGJQMXKFAS-QMMMGPOBSA-N 176.263 1.526 10 10 ADCE Oc1ccc(CN2CCCC2)cc1O 142697462 XSDVCHANJFTPSY-UHFFFAOYSA-N 193.246 1.694 10 10 ADCE CC[C@H]1NCc2cccc(O)c21 221191909 NXPFAVRKMYEVCI-MRVPVSSYSA-N 163.220 1.947 10 10 ADCE [N-]=[N+]=N[C@H](CC(=O)O)C1(Cl)CC1 238624212 JRDGDXOOLZGARZ-SCSAIBSYSA-N 189.602 1.911 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H]2C[C@@H](CO)[C@H]1C2 307038622 GHYNVJAGTISYHQ-CWKFCGSDSA-N 167.212 1.704 10 10 ADCE COc1ccc(N(C)CCON)cc1 382117273 AQDJTCNKBDCWIL-UHFFFAOYSA-N 196.250 1.022 10 10 ADCE [N-]=[N+]=NC[C@@H]1OC(=O)CC12CCC2 675053745 QNFPKBAWXBTATK-LURJTMIESA-N 181.195 1.783 10 10 ADCE CCn1ccc(CN=[N+]=[N-])n1 1535702250 XKMKVRRHAGMFAC-UHFFFAOYSA-N 151.173 1.713 10 10 ADCE [N-]=[N+]=NCCc1cncnc1 1535714809 FNYFOLHWQKWSQG-UHFFFAOYSA-N 149.157 1.329 10 10 ADCE C[C@@H]1[C@@H](N)CCN1c1ccc(N)cc1 1888921000 DKWWPFAEYRADSX-KCJUWKMLSA-N 191.278 1.195 10 10 ADCE C[C@]1(CN=[N+]=[N-])CCCO1 1912144823 BBWPRZIJNXYEPG-ZCFIWIBFSA-N 141.174 1.866 10 10 ADCE Nc1ccc(O)c(CN2CC(F)C2)c1 1917013210 FHUDCQWAAPPKLQ-UHFFFAOYSA-N 196.225 1.128 10 10 ADCE CN=c1cc(CN=[N+]=[N-])cc(C)[nH]1 1954831800 GJNYUGRFSKTCCR-UHFFFAOYSA-N 177.211 1.664 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H](C2)[C@H]1CO 2297087820 QIWVNBZNPPGIHU-HRDYMLBCSA-N 196.254 1.142 10 10 ADCE CCC[C@@H](N)c1cccc(O)c1O 95777648 ABFLKUZPUQLUJL-MRVPVSSYSA-N 181.235 1.898 10 10 ADCE CC(=O)[C@@H](N)c1cc(Cl)ccc1O 104492623 XBRXZRJVURPXED-SECBINFHSA-N 199.637 1.634 10 10 ADCE CC(=O)[C@@H](N)c1cccc(F)c1O 104671878 DYCOUGBHGOSJPV-MRVPVSSYSA-N 183.182 1.120 10 10 ADCE [N-]=[N+]=NCCCOCc1cnc[nH]1 165090451 PUWPATJOEZQOBL-UHFFFAOYSA-N 181.199 1.627 10 10 ADCE CC(C)[C@H]1CCCC(=O)C(=O)C1 238229790 SLESYHGLJOMCKB-QMMMGPOBSA-N 168.236 1.971 10 10 ADCE CCOC(=O)[C@]1(N=[N+]=[N-])N=NC[C@@H]1C 238287530 OFLLOLHAWSEEHT-FSPLSTOPSA-N 197.198 1.658 10 10 ADCE COc1ccnc(CN=[N+]=[N-])c1 238384302 WJXAJMQANFZZSM-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE Cc1nonc1Nc1ccc(N)cn1 238532922 UUUVBDIYDVFIKE-UHFFFAOYSA-N 191.194 1.099 10 10 ADCE Cc1c(O)c(O)cc2c1ccn2C 238535869 IYHPLKRVODZRRL-UHFFFAOYSA-N 177.203 1.898 10 10 ADCE O=C1CCC[C@H]1c1cc(O)nc(O)c1 238720889 JQXMRMWVGOEBQH-ZETCQYMHSA-N 193.202 1.329 10 10 ADCE CCSCc1nc[nH]c1C(=O)O 257869774 FCKAEZXQFJXIDN-UHFFFAOYSA-N 186.236 1.361 10 10 ADCE Oc1cc([C@H]2CCNC2)cc(F)c1O 258016848 HWJZOHHHHIVXME-LURJTMIESA-N 197.209 1.314 10 10 ADCE Nc1ccc(C/N=N/CCO)cc1 388286283 ICVBMCRTCUAICO-VAWYXSNFSA-N 179.223 1.213 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H](O)C=C1Cl 687756965 HXFOSPRQLLLPLJ-NJGYIYPDSA-N 173.603 1.943 10 10 ADCE CCC[C@H](C)NC(=O)NCCN=[N+]=[N-] 704202425 ARUNNWPCUUBRJO-ZETCQYMHSA-N 199.258 1.785 10 10 ADCE [N-]=[N+]=NC[C@H]1NC2(CCCC2)CCO1 885814318 BPTPLNMHYFMSMZ-QMMMGPOBSA-N 196.254 1.946 10 10 ADCE COc1cccc(C[N+](=O)[O-])c1O 1535810981 VEUKXOFVKYYVBY-UHFFFAOYSA-N 183.163 1.178 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 1772770707 YQOGUZBKESRKQL-RPDRRWSUSA-N 153.141 1.160 10 10 ADCE [N-]=[N+]=NCCSc1ccnnc1 1881465412 RGCMEAFEKOWQBF-UHFFFAOYSA-N 181.224 1.879 10 10 ADCE CC[C@]1(C)[C@@H](O)CCN1CCN=[N+]=[N-] 1887280925 JPOVEMQASZGSSF-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CCC(=Cc1nccn1C)CCN 1928459876 KVIXNVJKMOVMCS-UHFFFAOYSA-N 179.267 1.562 10 10 ADCE CC(=O)C(=O)[C@@H](O)C1CCCCCC1 1929166744 BBJYFJPEDAWLLT-NSHDSACASA-N 198.262 1.476 10 10 ADCE CC(C)(CN)Cc1cc(O)nc(O)c1 1952220011 PCMDFKPWVKRKDN-UHFFFAOYSA-N 196.250 1.020 10 10 ADCE CCNCCCN=[N+]=[N-] 1953147319 SVKGWDROQIKMKK-UHFFFAOYSA-N 128.179 1.296 10 10 ADCE [N-]=[N+]=NCCCCN1CCC12COC2 1956882323 PLBLNIDPGKJMIT-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])C[C@@H]1CN 1957247001 JQDCWDSGBZTLRA-QMMMGPOBSA-N 197.286 1.213 10 10 ADCE CN[C@@H](C)c1ccc(OC)cc1O 20083919 QCODOFVRKCQLFL-ZETCQYMHSA-N 181.235 1.681 10 10 ADCE [N-]=[N+]=N[C@@H]1CC=CC[C@H]1O 34213167 UHAGTQQTBGSUKD-PHDIDXHHSA-N 139.158 1.376 10 10 ADCE C[C@H]1Cc2cc(O)c(O)cc2C=N1 38173872 VCJDVPRKYCNNOU-LURJTMIESA-N 177.203 1.461 10 10 ADCE CCCc1cccc([C@@H](N)CO)c1O 72197762 DPUGQHKMICDBPX-JTQLQIEISA-N 195.262 1.337 10 10 ADCE C[C@H](N)CSc1nccs1 81889432 GGDXYVBRXCUABV-YFKPBYRVSA-N 174.294 1.582 10 10 ADCE Oc1ccc([C@@H]2CCCN2)c(O)c1 82871277 KOAOKYSANSMFDO-VIFPVBQESA-N 179.219 1.522 10 10 ADCE NCC1(c2ccc(O)c(O)c2)CCC1 82892682 SHDRDUQJHLZMRU-UHFFFAOYSA-N 193.246 1.478 10 10 ADCE CON[C@H](C)c1ccc(C)cc1O 134239126 GJMMHGHJZDHCIA-MRVPVSSYSA-N 181.235 1.913 10 10 ADCE CNCc1cc(OC)c(OC)cc1O 134641739 POODAIKZYRVUQJ-UHFFFAOYSA-N 197.234 1.129 10 10 ADCE [N-]=[N+]=NC(F)(F)C(F)(F)C(N)=O 196027215 NUHYCABMNXYLHG-UHFFFAOYSA-N 186.068 1.010 10 10 ADCE O=C1O[C@H]2CC[C@@H](C2)/C1=C\O 197468657 XCQNKJIULYVXNA-DLHBALMRSA-N 154.165 1.154 10 10 ADCE CCOc1ccc(O)c(O)c1C(=O)O 219062274 WDESXAIBFHNJNP-UHFFFAOYSA-N 198.174 1.195 10 10 ADCE COc1ccc2c(c1O)CN[C@@H]2C 257815792 CYTQDZDUBZYEIZ-ZCFIWIBFSA-N 179.219 1.565 10 10 ADCE CC1=Nc2ccccc2C1=[N+]=[N-] 307610569 HJKBEAUWLUKABP-UHFFFAOYSA-N 157.176 1.812 10 10 ADCE CC(F)(F)CC(=O)NCCN=[N+]=[N-] 328159860 HAUUXGKLMULLEJ-UHFFFAOYSA-N 192.169 1.458 10 10 ADCE Nc1ccc(OCC2(O)CCC2)cc1 691319769 GGYOMLRXDYEKII-UHFFFAOYSA-N 193.246 1.563 10 10 ADCE CC[C@@H](O)CN(C)c1ccc(N)cc1 702097284 KPRHWCGWKIFSDP-LLVKDONJSA-N 194.278 1.476 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@]2(CCOC2)C1 708285458 HPNFAXQIZVWSSZ-SECBINFHSA-N 196.254 1.409 10 10 ADCE C/C(=C\c1nccn1C)[C@@H]1CCNC1 708541655 YOWYKRFKXWTANG-TTZKWOQHSA-N 191.278 1.433 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)C1(F)CC1 1884201962 GKQCXHAHBJJMSI-UHFFFAOYSA-N 186.190 1.257 10 10 ADCE C[C@H](N)C[C@@H](N)c1ccccc1O 1886481461 VVXHCRVPBCBETB-IONNQARKSA-N 180.251 1.129 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@]2(N)C1 1895273771 VGJYYSCPRNRURL-BDAKNGLRSA-N 195.270 1.110 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H]2CCC[C@@H]21 1929223200 CYIPWMQHUQLTKB-YWVKMMECSA-N 196.246 1.086 10 10 ADCE CCOc1c(OC)ccc(O)c1O 2054917011 FIAMBEXGLINZKM-UHFFFAOYSA-N 184.191 1.505 10 10 ADCE CCc1sc(C(=O)O)c(O)c1N 2080391530 XNRIPLOFJGSSGG-UHFFFAOYSA-N 187.220 1.297 10 10 ADCE Oc1cc2c(cc1O)CCCC2 33505755 XUDZZXLUCILIRY-UHFFFAOYSA-N 164.204 1.977 10 10 ADCE [N-]=[N+]=NCCCN1CCCCC1=O 42416101 OWQUXTMNVOTQAF-UHFFFAOYSA-N 182.227 1.699 10 10 ADCE CN[C@H](CO)c1c(C)ccc(C)c1O 104519339 WGKWKEAOISSXBS-SECBINFHSA-N 195.262 1.262 10 10 ADCE C[C@H](N)c1ccc(C(=O)O)cc1O 104579088 CREVTCXPLSAFMM-YFKPBYRVSA-N 181.191 1.110 10 10 ADCE COC[C@@H](N)c1cc(C)ccc1O 104659637 LZTNMXJDVQBJPK-SECBINFHSA-N 181.235 1.347 10 10 ADCE C[C@@H](NO)c1ccc(F)cc1O 132122442 VUSROMQUIIEYHU-RXMQYKEDSA-N 171.171 1.571 10 10 ADCE C[Si]1(C)C[C@@H](N)[C@@H](N=[N+]=[N-])C1 196394510 SYRWRMVSYBWWMF-RITPCOANSA-N 170.292 1.715 10 10 ADCE COc1cc(C)cc([C@H](C)N)c1O 211791220 IKCMBRFDBLPGQQ-ZETCQYMHSA-N 181.235 1.729 10 10 ADCE [N-]=[N+]=NC[C@@H]1CNC[C@H]1C(F)F 306868031 QHYIIKZUYJLUGW-CRCLSJGQSA-N 176.170 1.397 10 10 ADCE S=C1NNC[C@@H]2CCCC[C@@H]12 307461532 JAYDGFDGPZZMFY-NKWVEPMBSA-N 170.281 1.228 10 10 ADCE COC[C@@H]1O[C@@H](N=[N+]=[N-])C=C[C@H]1OC 308339751 HMFDSXAIWGSYPI-GJMOJQLCSA-N 199.210 1.239 10 10 ADCE CN1CCCC[C@@H]1CN=[N+]=[N-] 1535783093 DSWOVGPZQZHLPH-SSDOTTSWSA-N 154.217 1.781 10 10 ADCE NCCCSc1ncc(N)s1 1880403485 UFIFAJRMJNGNBH-UHFFFAOYSA-N 189.309 1.166 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@H](C(F)(F)F)CO1 1912189681 XWEUWDIKOLOTFU-IMJSIDKUSA-N 196.132 1.174 10 10 ADCE Oc1cc([C@H](O)C2CCC2)cc(O)n1 1951596559 JZZJNKRWWDHXRO-SNVBAGLBSA-N 195.218 1.326 10 10 ADCE CN(CCN=[N+]=[N-])CCC1COC1 1954503922 KQPUNLMHFQLERS-UHFFFAOYSA-N 184.243 1.265 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1CCNC1 1957248077 AMIQJLVHBIKZHK-SECBINFHSA-N 197.286 1.228 10 10 ADCE O=[N+]([O-])c1cc(O)c(O)cc1F 2054945772 XCOZTQNCMWBDSM-UHFFFAOYSA-N 173.099 1.145 10 10 ADCE COC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209152745 SQDOQKDOJGJWFD-PHDIDXHHSA-N 184.199 1.574 10 10 ADCE Cc1cc(C(=O)O)cc(O)c1O 13542951 GGUKSPTUCLPPNY-UHFFFAOYSA-N 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ADCE Cc1cccc(N)c1N[C@@H]1CC[C@H]1N 1888904576 CGYBYGNRZZGBMM-PSASIEDQSA-N 191.278 1.479 10 10 ADCE CON(CCN=[N+]=[N-])C(C)C 1912205321 FKUDQPKGJLMSKW-UHFFFAOYSA-N 158.205 1.569 10 10 ADCE CC(C)(C)NC(=O)N1CC(N=[N+]=[N-])C1 1912207260 NHFFCKNQGSXSJR-UHFFFAOYSA-N 197.242 1.489 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)c1ccsc1 1929135673 YLIBRFCNVSQQIS-VIFPVBQESA-N 198.243 1.114 10 10 ADCE CCC1([C@@H](O)C(=O)C(C)=O)CCC1 1929196400 NTINAKGUFHRAMS-VIFPVBQESA-N 184.235 1.086 10 10 ADCE CC[C@@](C)(O)[C@@H](N)c1ccccc1O 1929439133 QFAIMBXNSGIFJE-WDEREUQCSA-N 195.262 1.553 10 10 ADCE NCCC=Cc1cccc(O)c1O 1951726978 YEYXZFLPNUWWDB-UHFFFAOYSA-N 179.219 1.460 10 10 ADCE C[C@H](CO)Oc1ccc(N(C)C)cc1 2209918596 CVYWDEMNRMTJCI-SECBINFHSA-N 195.262 1.512 10 10 ADCE C[C@@H](CN)Sc1nccs1 43514747 QNNFKKIBJMWNHR-YFKPBYRVSA-N 174.294 1.582 10 10 ADCE CCC(=O)C(=O)c1cc[nH]c1 84426620 JOYLXDFCKZICRF-UHFFFAOYSA-N 151.165 1.177 10 10 ADCE NCc1c(O)cccc1C(F)(F)F 95721123 ZRASDLZKTSGWKK-UHFFFAOYSA-N 191.152 1.870 10 10 ADCE 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10 ADCE COc1c(F)ccc(CNO)c1O 258003914 GUQYYNSMSZHNJL-UHFFFAOYSA-N 187.170 1.019 10 10 ADCE C[C@@H]1[C@H]2C[C@H](C(=O)C2=O)[C@@H]1C 306250177 YHQIWHRUJLJSAT-RNGGSSJXSA-N 152.193 1.047 10 10 ADCE N[C@@H](CCF)c1cccc(F)c1O 575439695 UQRNIBMAUVOTBH-QMMMGPOBSA-N 187.189 1.891 10 10 ADCE Cn1c(Cl)cnc1/C=C1/CCNC1 575595359 FHBLPJCTZHFKPT-DAXSKMNVSA-N 197.669 1.450 10 10 ADCE C[C@H]1CN(C)CCN(CCN=[N+]=[N-])C1 707545301 JPEIBGWGZPBZEF-VIFPVBQESA-N 197.286 1.180 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)N(C)C 1887712108 GIPFVSCXJHRJKW-UHFFFAOYSA-N 185.231 1.300 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@H]2C[C@@H](O)C2)C1 1904760434 RLKVWTHJFDSKQH-HLTSFMKQSA-N 196.254 1.142 10 10 ADCE CCC(N)(CC)[C@@H](O)CN=[N+]=[N-] 1912154779 NRWFRBXSJMQGII-LURJTMIESA-N 172.232 1.175 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@@H]1CO 1912185908 XLHKVAOERYJGMN-SECBINFHSA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=N[C@@H]1COCC2(CCC2)[C@H]1O 1912186858 GYUSUYUCHGCDDO-RQJHMYQMSA-N 183.211 1.227 10 10 ADCE C[C@@H]1C[C@@](N)(c2ccccc2O)CO1 1928467979 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[N-]=[N+]=N[C@@H]1C=C[C@@H](CC(=O)O)C1 212531501 ZADSMOYZDIVKAE-PHDIDXHHSA-N 167.168 1.716 10 10 ADCE NC1(c2c(O)cccc2F)CC1 221207817 DJKDONMJMJBART-UHFFFAOYSA-N 167.183 1.479 10 10 ADCE CCOC(=O)[C@H](N=[N+]=[N-])[C@H](C)N=[N+]=[N-] 231422815 MLGPTQMQRIFUMH-CRCLSJGQSA-N 198.186 1.927 10 10 ADCE C[C@@H](O)[C@@H](N)c1cccc(S)c1O 238423904 LIVCFNNLIDGWJX-SVGQVSJJSA-N 199.275 1.062 10 10 ADCE [N-]=[N+]=NCCc1ccc(O)c(N)c1 238658752 WLMWBLMOUXCZFV-UHFFFAOYSA-N 178.195 1.827 10 10 ADCE Cc1ccc([C@@H](C)CN)c(O)c1O 258048252 QXNJSQXIPJLFRL-ZETCQYMHSA-N 181.235 1.468 10 10 ADCE CC(=O)Cc1cc(O)c(O)c(F)c1 258072971 MMNYVTAJWOFTOF-UHFFFAOYSA-N 184.166 1.368 10 10 ADCE OCc1csc2c(O)c(O)ccc12 306768595 DXPHVBKWCPWHTA-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CC(=O)[C@H](C)N=Nc1cc[nH]n1 394923635 ADSOPOXLAMDDCU-YFKPBYRVSA-N 166.184 1.471 10 10 ADCE Cc1cc(C)nc(CN=[N+]=[N-])n1 575564455 GERFYVJRXQEOGW-UHFFFAOYSA-N 163.184 1.904 10 10 ADCE O=C(c1cccc(O)c1O)C(F)F 1536142733 YOXUXOZKLYLFHM-UHFFFAOYSA-N 188.129 1.546 10 10 ADCE COC(=O)C[C@H]1C[C@H](N=[N+]=[N-])CCO1 1857785087 LBBLEJJJZFGLFN-RNFRBKRXSA-N 199.210 1.407 10 10 ADCE [N-]=[N+]=NC1CN(CC2CCC2)C1 1912178366 MRTIMXAYMRMSOR-UHFFFAOYSA-N 166.228 1.781 10 10 ADCE CO[C@H]1CCN(CCN=[N+]=[N-])C1(C)C 1912205089 MHJMUSJSAUKKHE-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE CCC[C@H](O)CN1CC[C@@H](N=[N+]=[N-])C1 1933620250 WPCCUARYTBOGRN-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE C[C@H]1C[C@H](N=[N+]=[N-])C[C@H](O)C1 1953360487 JSQHGVDRSBHRDM-LYFYHCNISA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NC1CN([C@H]2CCC[C@H]2F)C1 1954291202 NAPULHMNOJIYBZ-SFYZADRCSA-N 184.218 1.872 10 10 ADCE [N-]=[N+]=N[C@@H](c1ccccc1)[C@@H](O)CO 34239443 XJPAJRFRXZRWRD-IUCAKERBSA-N 193.206 1.391 10 10 ADCE Nc1ccc(N2CC3(CC3)C2)cc1 86678142 RCYPSBSMIVWWRW-UHFFFAOYSA-N 174.247 1.869 10 10 ADCE CCC[C@H](C)/C=C1\C(=O)NN=C1C 90416241 HLNVWNDOYZNXIC-AXDULGOBSA-N 180.251 1.855 10 10 ADCE O=C(O)c1ccc([C@H]2CCN2)c(O)c1 104679411 VJYPKNPLXPCOJX-MRVPVSSYSA-N 193.202 1.125 10 10 ADCE CC(=O)c1sc([N+](=O)[O-])cc1O 149880735 IEQFZDRPKRXUQV-UHFFFAOYSA-N 187.176 1.565 10 10 ADCE O=C(C(=O)c1ccco1)c1ccc[nH]1 199332559 SPEFFZPBYUTJNB-UHFFFAOYSA-N 189.170 1.673 10 10 ADCE CC(C)NC(=O)/N=N/N(C)C 207193512 ZHRAOTOHJJBIPW-CMDGGOBGSA-N 158.205 1.033 10 10 ADCE C[C@@H]1NCCc2ccc(N)c(O)c21 212774114 IPDICWXVVZDHMO-LURJTMIESA-N 178.235 1.181 10 10 ADCE C[C@H](N)c1cc(Cl)c(O)cc1O 238417943 VYGJLVASTCVAMH-BYPYZUCNSA-N 187.626 1.771 10 10 ADCE C[C@@H](CCCO)N=[N+]=[N-] 238428422 VMKOFJBIOIMXIV-YFKPBYRVSA-N 129.163 1.458 10 10 ADCE CC(=O)C(=O)[C@@H]1CCC=C[C@@H]1C 238443969 CNPHXCHBGOBPDG-IONNQARKSA-N 166.220 1.747 10 10 ADCE CCN(CO)N=Nc1cccnc1 256002097 SQQSWRHMFLEQTG-UHFFFAOYSA-N 180.211 1.352 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)[C@H]1F 307446398 HBIYVRRIGCNLAI-WDCZJNDASA-N 145.137 1.158 10 10 ADCE CC1(C(=O)NCCCN=[N+]=[N-])CC1 308130805 DPKQKAYVGFCPIM-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE C[C@@H](CN(C)C)N(C)CCCN=[N+]=[N-] 1893429185 QEJPTCPGWFVBTD-VIFPVBQESA-N 199.302 1.569 10 10 ADCE CC(=O)C(=O)c1c(O)cccc1F 1951519375 XFMGMBOHVWCIHZ-UHFFFAOYSA-N 182.150 1.303 10 10 ADCE O=C1CC(c2ccc(O)c(O)c2O)C1 1951965171 XCUXHVWFSUULQZ-UHFFFAOYSA-N 194.186 1.250 10 10 ADCE C[C@@H]1C(C(=O)NCCN=[N+]=[N-])[C@H]1C 1954559555 DMJHIHLTVNNJHW-WDSKDSINSA-N 182.227 1.315 10 10 ADCE COc1cc(/C=C\CO)cc(O)c1O 13514789 NPNAJGCZQBQWQZ-IHWYPQMZSA-N 196.202 1.112 10 10 ADCE COC(=O)[C@H]1CC=C[C@@H](N=[N+]=[N-])C1 34290904 MXRQELUHZUPJBB-NKWVEPMBSA-N 181.195 1.805 10 10 ADCE C[C@H]1CCCC[C@H]1NC(=O)CN=[N+]=[N-] 104701919 MZIKPYPAUCSAEW-JGVFFNPUSA-N 196.254 1.992 10 10 ADCE C[C@@]1(N=[N+]=[N-])CCC[C@H]1O 196693567 ZKPWWVPPIZXBSE-PHDIDXHHSA-N 141.174 1.600 10 10 ADCE CC(C)C[C@H](CO)N=[N+]=[N-] 201357622 WOYMUTATNIHZHI-ZCFIWIBFSA-N 143.190 1.704 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H](O)[C@@H]1N=[N+]=[N-] 201889056 BAUNUBBIQFRSRT-NGJCXOISSA-N 182.187 1.889 10 10 ADCE Oc1ccccc1[C@H]1CC(Cl)=NN1 213980699 LVVNZUJFBJWGMD-SSDOTTSWSA-N 196.637 1.979 10 10 ADCE C[C@@H](N)c1ccc(N)c(F)c1O 238428839 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1.263 10 10 ADCE CCC1([C@H](CO)N=[N+]=[N-])COC1 1535851992 IWEANDPYXMOVES-LURJTMIESA-N 171.200 1.084 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2COCC[C@H]21 1890172009 VUTJJUZBCSDXSC-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE CC1(C)C[C@H](O)CN(CCN=[N+]=[N-])C1 1912160507 WXZGPCRKNVSGPM-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCCC[C@H]1C 1929213329 DYDGNSXKMQPTAH-KCJUWKMLSA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=N[C@H]1CCOC2(CCC2)[C@H]1O 1954378908 OUUXZPVOJJIXOQ-BQBZGAKWSA-N 183.211 1.369 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H]1CCC[C@@H]1O 2209410098 GLXZZNGJQBNUMH-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CN(CCO)c1ccc(OCF)cc1 2242475616 KPLPEIVHEYQYEQ-UHFFFAOYSA-N 199.225 1.421 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H]1CCC(=O)O1 34552885 VBLXLEABIXEVNH-WHFBIAKZSA-N 155.157 1.391 10 10 ADCE C/C(=C\c1cccc(O)c1O)C(=O)O 44220437 KQWVLEMRISSOSD-AATRIKPKSA-N 194.186 1.586 10 10 ADCE COc1cc(N(C)C)ccc1[C@H](C)N 104677592 UBFMMJLTUJUXRD-QMMMGPOBSA-N 194.278 1.781 10 10 ADCE CC(C)[C@H](C)NC(=O)CN=[N+]=[N-] 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CNCc1c(C)cc(F)c(OC)c1O 212199058 VNEPSJCNUILIQH-UHFFFAOYSA-N 199.225 1.568 10 10 ADCE [N-]=[N+]=NC[C@H](N)c1ccccn1 216219976 PJMZQKPDHCAWRW-LURJTMIESA-N 163.184 1.392 10 10 ADCE C[C@@H]1[C@@H]2CC[C@@]1(C)C(=O)C2=O 238449193 VBDAMGPUSJIVAP-QIOHGKGESA-N 152.193 1.191 10 10 ADCE O=C1CCCCCCC[C@@H](O)C1=O 238714785 VKTRCJXTRFDQJD-MRVPVSSYSA-N 184.235 1.230 10 10 ADCE CC[C@@]1(C)CCN(CCN=[N+]=[N-])C1=O 399356522 HEEPUYJQRCNFAW-VIFPVBQESA-N 196.254 1.945 10 10 ADCE C[C@H]1C[C@H](N(C)CCN=[N+]=[N-])CO1 401442000 CBUMOJDYIGJNFB-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@@]2(CCOC2)O1 536951005 YTYVHFVMBQUSKD-YUMQZZPRSA-N 183.211 1.635 10 10 ADCE CC(C)[C@]1(C)CN[C@@H](CN=[N+]=[N-])O1 885456413 OXEMNHHIVQOWFQ-SFYZADRCSA-N 184.243 1.657 10 10 ADCE COCc1ccc([C@H](CO)N=[N+]=[N-])o1 1535700955 UXVLFRSUBBNKHK-ZETCQYMHSA-N 197.194 1.770 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]1C(=O)O 1878360763 WMLOJBNATRPHCV-QWWZWVQMSA-N 141.130 1.160 10 10 ADCE C[C@@H](C(F)F)N(C)CCN=[N+]=[N-] 1880769452 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[N-]=[N+]=NC1(c2ccncc2)N=N1 34060561 TYFYXXPTKFQLLY-UHFFFAOYSA-N 160.140 1.968 10 10 ADCE CC[C@@H](N)c1cc(N)cc(F)c1O 104512415 OPBMCQHCXNEZEU-MRVPVSSYSA-N 184.214 1.523 10 10 ADCE COC(=O)[C@@]1(O)CCCC[C@H]1N=[N+]=[N-] 210081399 XYTTUFMOTNELFH-HTRCEHHLSA-N 199.210 1.143 10 10 ADCE Oc1cccc2c1CN[C@H](CF)C2 219591540 UHIWZJQSVOMQEO-QMMMGPOBSA-N 181.210 1.376 10 10 ADCE C[C@H]1CCC[C@H]1C(=O)NCCN=[N+]=[N-] 226696701 OUDMMOZWNIUKDF-JGVFFNPUSA-N 196.254 1.849 10 10 ADCE COC(=O)[C@H]1[C@@H](N=[N+]=[N-])[C@H]2C=C[C@H]1C2 238373744 WYCNTQPKPUJXMJ-HSNKUXOKSA-N 193.206 1.660 10 10 ADCE C[C@H]1CN[C@H](c2ccc(O)c(O)c2)C1 238445114 GUMREPMMBIOQNY-APPZFPTMSA-N 193.246 1.768 10 10 ADCE OCC[C@@H]1CNc2ccccc2N1 238664588 UPOQJIHDEQPIIL-MRVPVSSYSA-N 178.235 1.275 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@]12CCOC2 306183088 ZPXVWXDJWZYJRM-RNFRBKRXSA-N 153.185 1.866 10 10 ADCE Cc1ccc([C@H](N)[C@@H](C)N)c(O)c1 306894520 ZDEOPIFZRDGLKJ-GMSGAONNSA-N 180.251 1.048 10 10 ADCE C[C@@H]1C[C@@H](N(C)CCN=[N+]=[N-])[C@@H](C)O1 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Cc1cc(F)cc(O)c1O 211759231 DHQKNLSVVPOWBO-UHFFFAOYSA-N 142.129 1.545 10 10 ADCE C[C@H]1COCN1Cc1ccccc1O 238484757 YTBAQLNHIWPGFI-VIFPVBQESA-N 193.246 1.570 10 10 ADCE Cc1c(C)c(C=O)c(O)c(O)c1O 238541294 DMIMSLQCASGTQG-UHFFFAOYSA-N 182.175 1.233 10 10 ADCE COc1cc(C)c(N(C)CN)cc1C 258974953 XLTIXOURPNLXDY-UHFFFAOYSA-N 194.278 1.664 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC(=O)[C@@H]2O[C@@H]12 306955698 BGOOBBKPYPUXDI-PIYBLCFFSA-N 167.168 1.186 10 10 ADCE C[C@@H]1CO[C@H](CN=[N+]=[N-])N[C@H]1C 885318745 CQQSJQOJXQSVDZ-DSYKOEDSSA-N 170.216 1.267 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@H](C2CCCC2)CO1 885814337 CMLOYKUAQLWDKS-DTWKUNHWSA-N 196.254 1.801 10 10 ADCE CCN(CCN=[N+]=[N-])CCC1COC1 1887717632 MFYHOLATNNZDKT-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE CC1(C)CN[C@H]1CN=[N+]=[N-] 1912195159 XUFWEGPCIRPAFE-YFKPBYRVSA-N 140.190 1.295 10 10 ADCE CC[C@@](C)(O)CN1CC[C@@H](N=[N+]=[N-])C1 1912208038 OUSOBASHIXLNMW-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE CCOc1c(N)ccc(O)c1O 2055141068 FUFQOSFMTQZRBR-UHFFFAOYSA-N 169.180 1.079 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)[C@H]1CC12CCC2 2241552690 RNMIMHOHVJTCCF-SCZZXKLOSA-N 196.246 1.086 10 10 ADCE CN(C)c1ccc(OC[C@H]2CO2)cc1 34525814 RPLVRVJTBCPOMN-NSHDSACASA-N 193.246 1.530 10 10 ADCE CCCN(CCO)CCN=[N+]=[N-] 42453256 BQKHQEWNPPMRSW-UHFFFAOYSA-N 172.232 1.001 10 10 ADCE C[C@@H](N)c1cc(F)c(F)cc1O 95671738 JVAOWFJPZYTSCV-SCSAIBSYSA-N 173.162 1.690 10 10 ADCE COc1cc(OC)c(O)c([C@@H](C)N)c1 104524143 BOKDEGHJZUSVHZ-ZCFIWIBFSA-N 197.234 1.429 10 10 ADCE CC1([C@@H](N=[N+]=[N-])C(=O)O)CCOCC1 209905144 GMSVFYHEGPZMBP-LURJTMIESA-N 199.210 1.567 10 10 ADCE Cc1cc([C@H](C)N)c(O)c(F)c1O 214406557 TXFILBOKQVPGHF-YFKPBYRVSA-N 185.198 1.565 10 10 ADCE CCC[C@H](CC(=O)O)N=[N+]=[N-] 214920107 OZSQVGXWWITPNY-RXMQYKEDSA-N 157.173 1.940 10 10 ADCE CSC[C@H]1COC(=O)[C@H]1N=[N+]=[N-] 238374731 QGMCIURLKRDROD-UHNVWZDZSA-N 187.224 1.201 10 10 ADCE C[C@H](NCCF)c1cc(O)ccc1O 308519896 HCWXYUOJFZDBLN-ZETCQYMHSA-N 199.225 1.718 10 10 ADCE CS(=O)(=O)CCCCN=[N+]=[N-] 688885196 COXSDOGPWJRFKB-UHFFFAOYSA-N 177.229 1.122 10 10 ADCE C[C@@H]1Cc2c(ccc(O)c2O)N1 713728345 LADXXDXBGNLELB-RXMQYKEDSA-N 165.192 1.454 10 10 ADCE CN(O)Cc1ccc(N(C)C)c(F)c1 1535718015 KDVWCYBXPZENGM-UHFFFAOYSA-N 198.241 1.713 10 10 ADCE [N-]=[N+]=N[C@H](CO)CCN1CCCC1 1535748658 ANOOUOPULFUCKT-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE [N-]=[N+]=NCCN(CCF)CCF 1888780081 ZFURYXQWYMIWJI-UHFFFAOYSA-N 178.186 1.538 10 10 ADCE C[C@@H](O)CCN1CC[C@H](N=[N+]=[N-])C1 1912159672 KYBKJPMPLQMILK-SFYZADRCSA-N 184.243 1.142 10 10 ADCE CO[C@H]1CCCN(CCN=[N+]=[N-])[C@H]1C 1934292363 RCBQRLBCDLTOEI-IUCAKERBSA-N 198.270 1.796 10 10 ADCE Nc1c(C(F)F)sc(O)c1O 2080409160 ZBMQEFIROOGSMJ-UHFFFAOYSA-N 181.163 1.679 10 10 ADCE C[C@@H](O)COc1ccc(N(C)C)cc1 2209919351 QXYGSLYUFHNWAW-SECBINFHSA-N 195.262 1.512 10 10 ADCE CN(CCN=[N+]=[N-])Cc1ncco1 2242189510 MSYWKLPSMPWVFQ-UHFFFAOYSA-N 181.199 1.417 10 10 ADCE [N-]=[N+]=CC(=O)c1cc2ccccc2[nH]1 37632819 QHFLKAVHQPGYJT-UHFFFAOYSA-N 185.186 1.651 10 10 ADCE CC(C)[S@](=O)CCN=[N+]=[N-] 42416706 RGJPMTYQFOJKCF-JTQLQIEISA-N 161.230 1.454 10 10 ADCE NC[C@H](N)c1cc(Cl)ccc1O 72200280 USJGRMOOSULNMB-ZETCQYMHSA-N 186.642 1.004 10 10 ADCE [N-]=[N+]=NCc1ccc2c(N)[nH]nc2n1 78035584 MJLINLRDPVWYEY-UHFFFAOYSA-N 189.182 1.350 10 10 ADCE CC(C)[C@@H](N)c1cc(N)cc(F)c1O 104513629 PJWPGIGOOXGYPE-SECBINFHSA-N 198.241 1.769 10 10 ADCE O=CN[C@@H]1CCc2cccc(O)c21 148475453 DMUJDMQTPBRZOM-MRVPVSSYSA-N 177.203 1.126 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@H]1NC(=O)O[C@H]1C 210117744 GOGWKJRJYGJOOR-ACZMJKKPSA-N 198.226 1.962 10 10 ADCE CCNC(=N)c1ccc(O)c(O)c1 233492773 DWSPUKGNYFOHPM-UHFFFAOYSA-N 180.207 1.033 10 10 ADCE CC(C)CNC(=O)CCCN=[N+]=[N-] 238156241 QRWLXCBBSSKOOS-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE CCN(N=O)[C@@H](C)N=[N+]=[N-] 238253333 NDIJRMRASCEUDT-BYPYZUCNSA-N 143.150 1.646 10 10 ADCE [N-]=[N+]=N/C=C1\C(=O)O[C@H]2CCC[C@@H]12 238595778 VKKGMXMKXGONJM-MBZKLQCLSA-N 179.179 1.906 10 10 ADCE CCCC[C@@](C)(N=[N+]=[N-])[C@@H](O)CO 238795933 LECAIBMGMFYTGN-JGVFFNPUSA-N 187.243 1.599 10 10 ADCE Cc1c([C@@H](C)O)cc(O)c(O)c1C 257949642 AUOORJCVUTUSHR-SSDOTTSWSA-N 182.219 1.768 10 10 ADCE CC(C)(N)c1c(O)ccc2c1COC2 258072758 MJPGORWNIPZRAJ-UHFFFAOYSA-N 193.246 1.616 10 10 ADCE C[C@H](O)Cc1ccc(O)c(O)c1F 258160660 VAOMVZSLARLEDQ-YFKPBYRVSA-N 186.182 1.160 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@H]1C[C@H]2CC[C@H]1O2 306884101 PWQABCJIURXNQJ-WCTZXXKLSA-N 183.211 1.225 10 10 ADCE CN(C)N=Nc1csc(C(N)=O)c1 307982284 GKNZOQCZFRGJRT-UHFFFAOYSA-N 198.251 1.407 10 10 ADCE CC(C)ONCc1ccc(O)cc1O 379201941 YXJWFHJOXFPTRL-UHFFFAOYSA-N 197.234 1.527 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1COC(C)(C)C1 396582722 LMWNAGWUJJOUSP-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@@H](O)C=C1Cl 687763006 HXFOSPRQLLLPLJ-XINAWCOVSA-N 173.603 1.943 10 10 ADCE COC(=O)[C@H](F)Cc1ccc(N)cc1 1857785287 DEIGCQMKFXQSKQ-SECBINFHSA-N 197.209 1.322 10 10 ADCE CC(=O)C(=O)[C@](C)(O)[C@H](C)C(C)C 1889136722 DVMCYCMVSSKWTN-GMSGAONNSA-N 186.251 1.188 10 10 ADCE C[C@H]1C[C@H]1CCC(=O)NCCN=[N+]=[N-] 1889145030 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C[C@@H](CO)C[C@@H](C)CN=[N+]=[N-] 212360009 SOFQMAFMVYCFOO-RNFRBKRXSA-N 157.217 1.951 10 10 ADCE CCOc1cc(O)c2c(c1)CC[C@H]2N 238271701 PYJIOIUDMOJXFS-SECBINFHSA-N 193.246 1.737 10 10 ADCE COc1cc(O)c2c(c1O)[C@H](N)CC2 238372246 IMPUDIGDPAPBCM-ZCFIWIBFSA-N 195.218 1.052 10 10 ADCE CN=N[C@@H](NC)C(C)C 256192633 ZMUQUEMCPWVSRK-ZCFIWIBFSA-N 129.207 1.270 10 10 ADCE COc1cc(CN)c(O)c(C)c1C 258066755 TWKUPQQGKDIRLX-UHFFFAOYSA-N 181.235 1.476 10 10 ADCE C/C=C/C(C)(C)C(=O)C(C)=O 306462221 FOQPTUBFNGYXQK-AATRIKPKSA-N 154.209 1.747 10 10 ADCE CC(C)[C@@H]1C[C@H](O)[C@@H](O)[C@H](N=[N+]=[N-])C1 307665433 BDYWVUQEYQSNBH-KZVJFYERSA-N 199.254 1.453 10 10 ADCE C[C@]1(C(=O)NCCN=[N+]=[N-])C[C@@H]1F 399345948 KEIGHIBRILBFKM-FSPLSTOPSA-N 186.190 1.161 10 10 ADCE CC[C@@H](C)NC(=O)NCCCN=[N+]=[N-] 704202735 CCPGUCOGOLYNCO-SSDOTTSWSA-N 199.258 1.785 10 10 ADCE CC[C@@H]1O[C@@H](CN=[N+]=[N-])N[C@H]1C 885319097 LMKWXLSMKHGSEJ-ACZMJKKPSA-N 170.216 1.410 10 10 ADCE O=C(CCF)NCc1ccccc1O 901124926 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O=C(O)c1ccc([C@@H]2CCN2)c(O)c1 104526697 VJYPKNPLXPCOJX-QMMMGPOBSA-N 193.202 1.125 10 10 ADCE CC[C@H](O)[C@H](C)N=[N+]=[N-] 130764846 LTYFBZZSFDRAAY-WHFBIAKZSA-N 129.163 1.456 10 10 ADCE CC1(C)CO[C@@H](c2ccccc2O)N1 164835375 CXZRDSYWOKIJMM-JTQLQIEISA-N 193.246 1.789 10 10 ADCE [N-]=[N+]=N[C@@H]1CS(=O)(=O)C=C1Cl 196879473 VUENJQUJIJNTLT-SCSAIBSYSA-N 193.615 1.174 10 10 ADCE CCc1cc(O)c(O)c([N+](=O)[O-])c1 201214456 ZCYJFGZFNJTZQB-UHFFFAOYSA-N 183.163 1.568 10 10 ADCE Cc1ncc(C=S)[nH]1 219201914 OPGIOGCZWDHBQJ-UHFFFAOYSA-N 126.184 1.066 10 10 ADCE CCCC[C@H](N)CN=[N+]=[N-] 238216531 LVYNCAWQTYUIBS-LURJTMIESA-N 142.206 1.814 10 10 ADCE CN(C)c1ccc(O[C@H]2C[C@H]2N)cc1 238328465 QIPVGEYRBDENRG-MNOVXSKESA-N 192.262 1.231 10 10 ADCE Cc1cc(O)c(O)cc1CCC(=O)O 257833138 KVMWHBBUCNNCJM-UHFFFAOYSA-N 196.202 1.423 10 10 ADCE CC(C)(CO)c1cccc(O)c1O 257981475 DSKRXAUQCWIBAN-UHFFFAOYSA-N 182.219 1.368 10 10 ADCE Cc1cn(C)c2cccc(CCN)c12 258229453 WINCEJUJNJQKHV-UHFFFAOYSA-N 188.274 1.988 10 10 ADCE CS[C@H]1CCN(CCN=[N+]=[N-])C1 382864092 BLESQAXMLXFHDT-ZETCQYMHSA-N 186.284 1.734 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@]2(CCCN2)CO1 536958411 OWBDKEQPGARRKB-SFYZADRCSA-N 182.227 1.208 10 10 ADCE CC(C)CN1CC[C@@H](N)[C@@H]1CN=[N+]=[N-] 712038736 JROGILCAIOWSFN-BDAKNGLRSA-N 197.286 1.354 10 10 ADCE CC[C@@H](N)[C@H](N=[N+]=[N-])C(F)(F)F 714526834 QPZIXJZIRZNWMY-DMTCNVIQSA-N 182.149 1.965 10 10 ADCE C[C@@H](Nc1ccc(N)cc1)C(C)(C)N 1893531084 BYBLYEMUPRZIAK-MRVPVSSYSA-N 193.294 1.807 10 10 ADCE CC(C)[C@H](CN)Oc1ccc(N)cc1 1896268231 DEEVQJLAJBPESU-NSHDSACASA-N 194.278 1.631 10 10 ADCE CO[C@@H](C)CN1CCC[C@@H](N=[N+]=[N-])C1 1912163965 QBUFGLVZVUCSSR-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@H](C)[C@@H]1C 1929187960 PHPDNRAZQXHXOP-LAEOZQHASA-N 198.262 1.332 10 10 ADCE CC(=O)C(=O)C1CC=CC1 1951489851 GOBRPSZQVOYKDY-UHFFFAOYSA-N 138.166 1.111 10 10 ADCE COc1cccc(C(=O)C(C)=O)c1C 1951492591 XYNRTUTVNICUMC-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE [N-]=[N+]=NCCCCN1CCN[C@@H]2C[C@H]21 1957248402 CIOXXLFDDIIXDH-RKDXNWHRSA-N 195.270 1.123 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@@H]1CC[C@@H]1N 1957248637 FDOXCKWJBHZMIY-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=NCC/C=C/C=C/[C@@H](O)CCO 27076149 ADRULAOMRRNRSS-CWEYFINHSA-N 197.238 1.543 10 10 ADCE CC(C)(N)Cc1ccc(O)c(O)c1 82873793 CIAVSEPOCXYZEA-UHFFFAOYSA-N 181.235 1.378 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1ccc(O)cc1 138886644 MBFGTCJAUPCABI-UHFFFAOYSA-N 199.191 1.391 10 10 ADCE COCC(=O)Cc1ccc(N)cc1 167843569 RREZBSIGNCJGDP-UHFFFAOYSA-N 179.219 1.027 10 10 ADCE CN1CCCCc2cc(CN)ccc21 213485937 GZIPHRCAXCRMGF-UHFFFAOYSA-N 190.290 1.918 10 10 ADCE C[C@H](CO)[C@H](C)Nc1ccccc1N 228695942 PBSFETYRLPVXOT-BDAKNGLRSA-N 194.278 1.698 10 10 ADCE CC(=O)O[C@@H]1CCOC[C@H]1N=[N+]=[N-] 238063917 HOEICQQUUCHUHW-RNFRBKRXSA-N 185.183 1.017 10 10 ADCE CN1C(=S)NC(C)(C)C[C@@H]1N=[N+]=[N-] 238330252 NUHLKIMUSFXXCD-RXMQYKEDSA-N 199.283 1.611 10 10 ADCE C[C@@H](NC(=N)N)c1cc(F)ccc1O 307266040 KQKKJGBYCJUSKT-RXMQYKEDSA-N 197.213 1.075 10 10 ADCE [N-]=[N+]=Cc1cccc(Cl)n1 307441290 ZJSADMWSJONRGE-UHFFFAOYSA-N 153.572 1.384 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H](CO)CC1 382096879 FBOQYKGIUNGXDM-VIFPVBQESA-N 198.270 1.391 10 10 ADCE C[C@H]1C[C@H](O)CN1CCCN=[N+]=[N-] 384853676 CERNDCKWYDJGJT-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE OCc1ccc(N2CC[C@H]3C[C@H]32)cc1 706969305 AWOUUFFQYYAUJJ-CMPLNLGQSA-N 189.258 1.778 10 10 ADCE CC[C@@H]1CO[C@@H](CN=[N+]=[N-])N1 885255596 PLTLAOHHFJBJSN-RITPCOANSA-N 156.189 1.021 10 10 ADCE CCn1ccc(CCN=[N+]=[N-])n1 1535700931 UIXMREFTDWXLAH-UHFFFAOYSA-N 165.200 1.756 10 10 ADCE [N-]=[N+]=NCc1cncnc1 1535702941 NTRRTTYNGDRXCN-UHFFFAOYSA-N 135.130 1.287 10 10 ADCE [N-]=[N+]=NCCc1cnco1 1535771529 BHRKPSAPQLHLBH-UHFFFAOYSA-N 138.130 1.527 10 10 ADCE Cc1ccncc1[C@H](CO)N=[N+]=[N-] 1535863527 XOJICQCMNUGBBG-QMMMGPOBSA-N 178.195 1.734 10 10 ADCE CC1(C)[C@H]2[C@H](N=[N+]=[N-])[C@@H](O)C[C@H]21 1912187041 DYQVYVDEKRFKHR-XZBKPIIZSA-N 167.212 1.702 10 10 ADCE CCCN(CCCN=[N+]=[N-])C1COC1 1912188253 MYOHPFQQTIAPNE-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)c2ccc[nH]2)C1 1912207800 PRICBVIAWBJTPC-UHFFFAOYSA-N 191.194 1.149 10 10 ADCE CCOCC[C@@H](N)c1ccccc1O 1928472615 RUBIUNUYVVIEQW-SNVBAGLBSA-N 195.262 1.819 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H](C)[C@@H](C)C1 1929148319 PXAMQZSSLQRMNL-LAEOZQHASA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccnc(F)c1 1951328590 DVCIUPFWKZNYKE-ZCFIWIBFSA-N 182.158 1.564 10 10 ADCE Cc1ccc([C@@H]2CC(=O)N2)c(O)c1 1951666471 WHEWQZWDGYHQJM-QMMMGPOBSA-N 177.203 1.262 10 10 ADCE Cc1ccc([C@@H]2NCC[C@@H]2O)c(O)c1 1952065103 VQQHOSFJAXKEKO-ONGXEEELSA-N 193.246 1.096 10 10 ADCE C[C@@]1(c2c(O)cccc2O)CCN1 1952217272 FCKRYCWWADHCJM-JTQLQIEISA-N 179.219 1.306 10 10 ADCE O=C(CF)c1ccc(O)c(O)c1 39054830 HYBMJRSIVMTZFK-UHFFFAOYSA-N 170.139 1.250 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccco1 42012100 ARIOBDPHFSZTJN-UHFFFAOYSA-N 180.167 1.320 10 10 ADCE Cc1ccc(C(=O)C(=O)C(C)C)o1 84446149 MAEPUARAPMGGCH-UHFFFAOYSA-N 180.203 1.996 10 10 ADCE N[C@@H](CC1CC1)c1cc(O)ccc1O 95673078 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CO[C@@H]1CCN(CCCCN=[N+]=[N-])C1 1912161010 DJMDJFGFCAWKQG-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC(=O)C(=O)C1CCC(F)(F)CC1 1951322856 ZSKVEJOLGMMDDW-UHFFFAOYSA-N 190.189 1.970 10 10 ADCE CC(=O)C(=O)[C@@H](F)C(F)(F)F 1951724674 VXDIFNWAYVTNDA-SCSAIBSYSA-N 172.077 1.045 10 10 ADCE Cc1cc(C)n(CCN=[N+]=[N-])c(=O)n1 42416070 JFJGRLYTWCUNHN-UHFFFAOYSA-N 193.210 1.170 10 10 ADCE C[C@@H](c1cc(F)ccc1O)N(C)O 82877798 NDKZWLHRZAKPNW-LURJTMIESA-N 185.198 1.913 10 10 ADCE Cc1[nH]c2ccc(CN)c(O)c2c1C 82888072 BZPYMXMNCXSMFV-UHFFFAOYSA-N 190.246 1.949 10 10 ADCE CC(=O)C(=O)CCC(C)C 101096639 AAXZUVHMTFZSFQ-UHFFFAOYSA-N 142.198 1.581 10 10 ADCE C[C@H]1C[C@@H](N=[N+]=[N-])C(=O)O1 138996679 WPMFIJUWEZFEIQ-IUYQGCFVSA-N 141.130 1.001 10 10 ADCE CC(C)[C@H](N)c1cc(CN)ccc1O 211749873 LLGPNKGOVUEIIQ-NSHDSACASA-N 194.278 1.507 10 10 ADCE CC(=C\Cl)/N=N/C(N)=O 211856144 JSICGWKPOMORBG-BSMXIPCLSA-N 147.565 1.617 10 10 ADCE Cc1nc2ccc(CNO)c(O)c2o1 214761963 NQFZDJALMGODAA-UHFFFAOYSA-N 194.190 1.321 10 10 ADCE Nc1nc2scc(O)c2o1 217976744 RGBFQHVHOJXRMG-UHFFFAOYSA-N 156.166 1.177 10 10 ADCE C[C@@H](c1ccc(O)c(O)c1)[C@@H](C)N 238376319 CUAQNPSFYZGWMR-RNFRBKRXSA-N 181.235 1.549 10 10 ADCE O=C(C(=O)c1cc[nH]c1)c1cc[nH]c1 238624504 ZJZYPUWKWZNEQJ-UHFFFAOYSA-N 188.186 1.408 10 10 ADCE C[C@@H](CO)c1cccc(O)c1O 258082431 VWILQZJHTFJKAS-LURJTMIESA-N 168.192 1.194 10 10 ADCE C[C@H](N)Cc1cc(O)c(O)c(F)c1 258103743 PAOWUZJXVRBSTQ-YFKPBYRVSA-N 185.198 1.127 10 10 ADCE N[C@H](CCF)c1ccc(O)cc1O 575439160 VIYIQDNSLUBOAZ-MRVPVSSYSA-N 185.198 1.457 10 10 ADCE CC1(C)C[C@@H](CO)N(CCN=[N+]=[N-])C1 1912147522 JZHABWQSIZZLMU-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE C[C@@H]1C[C@@H]1CN1CC(N=[N+]=[N-])C1 1912159316 GNSSPKHPVJYPHB-RNFRBKRXSA-N 166.228 1.637 10 10 ADCE [N-]=[N+]=N[C@H]1CCN([C@H]2CCOC2)C1 1912166448 XOTTZOBIXMDPTJ-YUMQZZPRSA-N 182.227 1.160 10 10 ADCE [N-]=[N+]=NCCN1CC2(CSC2)C1 1912188106 MIWQPQGJXUASEB-UHFFFAOYSA-N 184.268 1.346 10 10 ADCE O=C(c1cc(O)nc(O)c1)C1CC1 1951793757 QYYYKQSJSAIEIC-UHFFFAOYSA-N 179.175 1.086 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)N2CCC2)C1 1955634800 BZVWMTYPSUCHAE-SSDOTTSWSA-N 195.226 1.197 10 10 ADCE C[C@H](N)[C@H]1CCCCN1CCN=[N+]=[N-] 1957243212 DGAIJPAQOLPKMU-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE Cc1ccc2[nH]c(C(=O)C=[N+]=[N-])cc2c1 37632823 RTHCZILDEHFFBA-UHFFFAOYSA-N 199.213 1.960 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCCO1 42465509 GTANOISQMTYQHR-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE COc1ccc(C)c([C@H](C)N)c1O 95769747 QFMUQVRFBXRPNX-ZETCQYMHSA-N 181.235 1.729 10 10 ADCE N[C@H]1CCc2c1ccc(O)c2O 104674594 ZZOZYVWAXAJBOY-ZETCQYMHSA-N 165.192 1.044 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)N[C@H]1c1ccccc1 136554323 INUNOMSWEWVFHI-YUMQZZPRSA-N 188.190 1.536 10 10 ADCE C[C@@H](CCC(=O)O)N=[N+]=[N-] 164001063 NCSKXTGWHAVQKL-BYPYZUCNSA-N 143.146 1.550 10 10 ADCE C[C@H](C(=O)NCCCN=[N+]=[N-])C1CC1 164064206 JKIJKGDBIXYWEY-ZETCQYMHSA-N 196.254 1.849 10 10 ADCE CCc1c(C)c(O)c(C)c(O)c1O 238289767 OEIMSALFFWXMOA-UHFFFAOYSA-N 182.219 1.983 10 10 ADCE COc1c(O)c(C)cc(O)c1O 238431343 VVRHPOABZDLABM-UHFFFAOYSA-N 170.164 1.120 10 10 ADCE [N-]=[N+]=N[C@@H](C(=O)O)C1(CC(=O)O)CC1 238608386 ICCPQCKTMPXHIT-YFKPBYRVSA-N 199.166 1.005 10 10 ADCE Oc1ccc(CN2CCC2)c(O)c1 306193317 SOIFHKBUZQJMPL-UHFFFAOYSA-N 179.219 1.304 10 10 ADCE CCC[C@@H](CO)Nc1ccccc1N 308605221 WGKVQRGLYUSAIB-VIFPVBQESA-N 194.278 1.842 10 10 ADCE CCN(CCN=[N+]=[N-])CC1COC1 1887712082 FXSIQMZYAQTAEX-UHFFFAOYSA-N 184.243 1.265 10 10 ADCE C[C@H](Nc1ccc(N)cc1)C(C)(C)N 1893531085 BYBLYEMUPRZIAK-QMMMGPOBSA-N 193.294 1.807 10 10 ADCE CC=CCN1CC(N=[N+]=[N-])C1 1912188313 NUFSQIUTUUWBCC-UHFFFAOYSA-N 152.201 1.557 10 10 ADCE Oc1ccccc1[C@@H]1C=CCN1 1928472501 QGJGUTPZDIZFHV-VIFPVBQESA-N 161.204 1.593 10 10 ADCE COC[C@](C)(N)c1cccc(F)c1O 1951666054 IYCOJJVCJHURMB-JTQLQIEISA-N 199.225 1.352 10 10 ADCE CN(CCN=[N+]=[N-])CC1CCNCC1 1957244477 PRIYYVITWZHWDD-UHFFFAOYSA-N 197.286 1.228 10 10 ADCE CCOC(=O)NCc1ccc(N)cc1 37666350 IHRNSVRNKKVRNJ-UHFFFAOYSA-N 194.234 1.515 10 10 ADCE [N-]=[N+]=NCc1nc(C2CC2)no1 42391360 YPNBJGUGFFTGQK-UHFFFAOYSA-N 165.156 1.757 10 10 ADCE Cc1csc(=O)n1CCCN=[N+]=[N-] 42416119 FBXYYPLTMDYACV-UHFFFAOYSA-N 198.251 1.919 10 10 ADCE COC[C@H](C)N(C)CCCN=[N+]=[N-] 42519331 UXMOJOJHRILQMI-QMMMGPOBSA-N 186.259 1.654 10 10 ADCE CNCC/C=C/c1nccn1C 86571193 PVUSAJGMYNCDKT-HWKANZROSA-N 165.240 1.043 10 10 ADCE C/C=C\C(=O)NCCCN=[N+]=[N-] 88383573 TZJSGDYLLYYZGI-RQOWECAXSA-N 168.200 1.379 10 10 ADCE CC[C@@](C)(N)c1c(O)cccc1O 95747757 JXQOLUJDANVENM-SNVBAGLBSA-N 181.235 1.682 10 10 ADCE [N-]=[N+]=Cc1ccccc1[N+](=O)[O-] 143133592 PWKYTHJKEZEJNG-UHFFFAOYSA-N 163.136 1.244 10 10 ADCE C[C@H](N=[N+]=[N-])c1cnn(C)c1 165906875 RYDDZOLKGQFWPX-YFKPBYRVSA-N 151.173 1.791 10 10 ADCE Cc1cc(C(C)(C)N)c(O)cc1O 214269171 IPEYRGYNZWVIBH-UHFFFAOYSA-N 181.235 1.600 10 10 ADCE [N-]=[N+]=NC[C@@H]1COc2ncccc2O1 222156305 ZVVGVGYENIZNPH-ZCFIWIBFSA-N 192.178 1.532 10 10 ADCE Oc1cccc([C@H]2CCCN2)c1O 238683860 PBMLOOHVYDGHPK-MRVPVSSYSA-N 179.219 1.522 10 10 ADCE [N-]=[N+]=CC(=O)c1ccnc2ccccc12 382741189 NERABMCBBUSZMQ-UHFFFAOYSA-N 197.197 1.718 10 10 ADCE C[C@H]1[C@@H](O)CCCN1CCCN=[N+]=[N-] 384986529 ZUQHVEKOTBFMKA-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CC[S@@](=O)NCCCCN=[N+]=[N-] 385787385 GSZNNUAMLSJGFE-GFCCVEGCSA-N 190.272 1.350 10 10 ADCE COC(=O)C(C)(C)C(=O)[C@@H](C)N=[N+]=[N-] 389295984 KDKCFOGTVUKNLC-RXMQYKEDSA-N 199.210 1.454 10 10 ADCE COC(=O)[C@@]1(N=NC2CC2)CC12CC2 394651293 IOHUYOQAZPJXJS-JTQLQIEISA-N 194.234 1.697 10 10 ADCE C[C@@H]1C[C@@H](O)CCN1CCCN=[N+]=[N-] 706115407 PHWKOYLLPWZCGM-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE CN1CC[C@]2(CCO[C@H]2CN=[N+]=[N-])C1 757208306 GHCZBPMYHSDHHV-IUCAKERBSA-N 196.254 1.408 10 10 ADCE CC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 885820936 HZMMGEKYSFPMCE-VIFPVBQESA-N 196.254 1.945 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H](F)C(F)(F)F 1536131736 FGIHTRAWTULXAM-HRFVKAFMSA-N 187.096 1.558 10 10 ADCE CC(C)(O)CN1CC[C@@H](N=[N+]=[N-])C1 1912149787 LHKQEDWUZOVYMF-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H](C)C[C@H]1C 1929169240 CTDMPVXPPQWPPG-XLDPMVHQSA-N 198.262 1.332 10 10 ADCE O=C1CO[C@@H](c2ccc(O)c(O)c2)C1 1952157881 QIQVZRNEAGCSKP-SNVBAGLBSA-N 194.186 1.128 10 10 ADCE NC[C@@]1(F)C[C@H]1c1cccc(O)c1O 1952671477 UVLIODTVKMPDDJ-XVKPBYJWSA-N 197.209 1.252 10 10 ADCE COCCc1nc(CN=[N+]=[N-])no1 1953984636 JNQIGCCFNBVAIA-UHFFFAOYSA-N 183.171 1.069 10 10 ADCE Oc1ccc(Cn2cccn2)c(O)c1 2069935525 QMOCNXZEMDCRBJ-UHFFFAOYSA-N 190.202 1.343 10 10 ADCE OC/C=C/c1ccc(O)c(O)c1 1532486 ZCKDCRKBURQZPT-OWOJBTEDSA-N 166.176 1.103 10 10 ADCE biogenic,in-vitro CC(C)C(O)(CN=[N+]=[N-])CN=[N+]=[N-] 34449693 CCUHSBAYFJUXJM-UHFFFAOYSA-N 184.203 1.994 10 10 ADCE Nc1ccc(NC[C@@H](O)C2CC2)cc1 70917273 DKYYANGGLNUELG-LLVKDONJSA-N 192.262 1.452 10 10 ADCE CN(C)CCN(C)CCCN=[N+]=[N-] 82543097 SUKRIITWNUMNAI-UHFFFAOYSA-N 185.275 1.180 10 10 ADCE CCN(C)c1ccc([C@H](C)N)c(O)c1 86569699 PYLQKAPMUKWNSH-QMMMGPOBSA-N 194.278 1.868 10 10 ADCE COc1cc(O)c([C@H](C)N)c(OC)c1 95674617 ZQHQTDDWSRTSLK-LURJTMIESA-N 197.234 1.429 10 10 ADCE NCc1c(O)ccc2[nH]ccc12 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ADCE [N-]=[N+]=NC[C@@H]1CCC2(CNC2)CO1 1883746135 JQQVOKNSHVEORT-ZETCQYMHSA-N 182.227 1.065 10 10 ADCE CN(C)NCc1ccc(F)cc1O 1884125948 BBSCMJKEGSPKBD-UHFFFAOYSA-N 184.214 1.098 10 10 ADCE CN(C)c1ccc(C=CC(N)=O)cc1 1927709531 OQIKSHKHQRDGMI-UHFFFAOYSA-N 190.246 1.251 10 10 ADCE CC1(C)CC(O)(CN=[N+]=[N-])C1 1933989440 MJZRBGLIDXNAMZ-UHFFFAOYSA-N 155.201 1.848 10 10 ADCE CNCCCCc1ccc(O)c(O)c1 1951473714 PPEVAOXRDUOYES-UHFFFAOYSA-N 195.262 1.640 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@@H]1[N+](=O)[O-] 38234674 ASDNZMMBOHWGEU-RITPCOANSA-N 170.172 1.885 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H](C)O1 42415747 FSGSSOCHDHUCJK-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC1(C)COCCN1CCN=[N+]=[N-] 42462886 NGYPLSDSXJQKCZ-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE NC1(c2cccc(O)c2O)CC1 221194633 WGBRUFZIBSPBTA-UHFFFAOYSA-N 165.192 1.046 10 10 ADCE [N-]=[N+]=NC[C@@]1(O)CCCn2cncc21 238702188 TUGJDVQMHQXFSM-QMMMGPOBSA-N 193.210 1.175 10 10 ADCE [N-]=[N+]=NC[C@@H]1CNCC1(F)F 306257638 QHGKOVYGHWOLHQ-BYPYZUCNSA-N 162.143 1.151 10 10 ADCE Cc1ncn(CCN=[N+]=[N-])c(=O)c1C 306624660 FQYPGBZASWVPSJ-UHFFFAOYSA-N 193.210 1.170 10 10 ADCE Cc1c(/C=C\CN)cc(O)c(O)c1C 687681478 RWBZUPXSNJAKRD-ARJAWSKDSA-N 193.246 1.687 10 10 ADCE NC[C@@H]1C[C@@H]1CNc1ccc(N)cc1 1875836500 YIJVQOPUDNCZJY-DTWKUNHWSA-N 191.278 1.276 10 10 ADCE Cc1ccc(CN[C@H]2C[C@H]2F)c(O)c1 1904107867 LDSJBAUIBDQDMM-ZJUUUORDSA-N 195.237 1.901 10 10 ADCE CCCn1ccnc1C=CCCN 1911555112 YPIVXNAHMSSTIC-UHFFFAOYSA-N 179.267 1.655 10 10 ADCE [N-]=[N+]=NC1CN(CCCCCO)C1 1912143651 JAFARTOAPSABMI-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE CC(=O)C(=O)[C@](C)(O)CCC(C)C 1929109638 AIUFIOLRKLATBY-SNVBAGLBSA-N 186.251 1.332 10 10 ADCE Nc1ccc(NC[C@H](O)CF)cc1 1930558908 ZFJAAZUBAXBGKA-SECBINFHSA-N 184.214 1.011 10 10 ADCE COCC[C@H](N)c1cccc(O)c1O 1951589889 BBWRHGHRDFDDHH-QMMMGPOBSA-N 197.234 1.134 10 10 ADCE COc1ccc([C@]2(N)C[C@H]2C)c(O)c1 1951730075 FLHJLTUBPZKBLE-HQJQHLMTSA-N 193.246 1.595 10 10 ADCE CN[C@@H](COC)c1c(O)cccc1O 1951860390 KKTGHGDWJWSOED-ZETCQYMHSA-N 197.234 1.005 10 10 ADCE CC(=N)NCc1ccc(N(C)C)cc1 1955513151 XVQIHVIMEUZRCT-UHFFFAOYSA-N 191.278 1.839 10 10 ADCE C[C@H](CCN)N(C)CCCCN=[N+]=[N-] 1957244037 LITYPNCECKGVBU-SECBINFHSA-N 199.302 1.746 10 10 ADCE Oc1ccc(-n2cccn2)cc1O 2069791696 PUQYGRRHWIDQFJ-UHFFFAOYSA-N 176.175 1.284 10 10 ADCE CC[C@@H](CO)Nc1ccc(N)cc1 35599966 GCBHZMJBSIHWAU-VIFPVBQESA-N 180.251 1.452 10 10 ADCE COC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 59051473 KAGKTAKBTABZPB-ZCFIWIBFSA-N 184.199 1.528 10 10 ADCE Cc1cc(C)c(CNO)c(O)c1 82852661 FEINCHUGMRYLSR-UHFFFAOYSA-N 167.208 1.488 10 10 ADCE Nc1ccc(CO[C@@H]2CCOC2)cc1 84686177 WXVPFUVFNUPBHG-LLVKDONJSA-N 193.246 1.574 10 10 ADCE CC[C@H](NN(C)C)c1ccccc1O 134130759 YGLJHWWETBZNRQ-JTQLQIEISA-N 194.278 1.910 10 10 ADCE CCn1ccnc1C1=CC[C@H](N)CC1 168804543 GAFXCOXKSIKINY-JTQLQIEISA-N 191.278 1.798 10 10 ADCE CCn1ccnc1C1=CC[C@@H](N)CC1 168804637 GAFXCOXKSIKINY-SNVBAGLBSA-N 191.278 1.798 10 10 ADCE O=C1CNc2ccccc2NC1 203898082 SVCRXIWXFDLADN-UHFFFAOYSA-N 162.192 1.093 10 10 ADCE Oc1cccc2c1CN[C@@H](C(F)F)C2 219904156 LWOFIMOALPGEGZ-MRVPVSSYSA-N 199.200 1.672 10 10 ADCE CO[C@@H]1C[C@@H](N=[N+]=[N-])C[C@@](C)(CO)C1 238332773 OPBXOJCMFZOFPE-IWSPIJDZSA-N 199.254 1.863 10 10 ADCE Cc1ccc([C@](C)(N)CO)c(O)c1F 238493338 STNIHZSWHSJFNS-SNVBAGLBSA-N 199.225 1.006 10 10 ADCE O=C1O[C@@H]2CCCC[C@@H]2/C1=C/O 238607682 YTOLNTIVKNZDJG-RXCXCCMUSA-N 168.192 1.544 10 10 ADCE [N-]=[N+]=NCCOc1ccc(N)cc1 238610973 OEQOABHDWZOYBN-UHFFFAOYSA-N 178.195 1.958 10 10 ADCE Nc1cc2cc(O)c(O)cc2s1 306921112 PECBOTLLEJTFKY-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE [N-]=[N+]=NCc1nnc(C(F)F)o1 307137904 YJYKVQXBQNNZJC-UHFFFAOYSA-N 175.098 1.818 10 10 ADCE C[C@@H]1C(=O)N(CCN=[N+]=[N-])C[C@@H]1C 307579015 SYKZAJKTIGDZPV-BQBZGAKWSA-N 182.227 1.411 10 10 ADCE c1cc2c(cc1N1CCC1)CCN2 685968814 MEDUUUGMICVXBV-UHFFFAOYSA-N 174.247 1.865 10 10 ADCE CC[C@@H]1N[C@@H](CN=[N+]=[N-])O[C@@H]1C 885319228 QBQOVAQDNRZCPB-DSYKOEDSSA-N 170.216 1.410 10 10 ADCE CC(C)[C@@]1(C)CO[C@@H](CN=[N+]=[N-])N1 885456421 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NC[C@H]1CC[C@H]1Nc1ccccc1N 1888933217 IROVQLPRPPBWMT-PSASIEDQSA-N 191.278 1.418 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])CCO1 1912179818 XRDLIUSZTZXHHM-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@H](CCCN=[N+]=[N-])S(=O)(=O)O 1934355286 GTBSJPOFVRRELO-RXMQYKEDSA-N 193.228 1.353 10 10 ADCE C[C@@H]1C[C@@]1(N)c1ccc(O)cc1O 1951727495 FRVHIMGGKNELMD-LDWIPMOCSA-N 179.219 1.292 10 10 ADCE CC(C)[C@@H]1O[C@H](CN=[N+]=[N-])N[C@@H]1C 1954443396 DWPANWFDHZLAHW-PRJMDXOYSA-N 184.243 1.656 10 10 ADCE Oc1cccc(F)c1Cn1cccn1 2069931918 LZFBCMCIVYQHNJ-UHFFFAOYSA-N 192.193 1.776 10 10 ADCE Nc1ccc(O[C@@H]2C=CCOC2)cc1 2241690950 YDQXZOYGITZABL-LLVKDONJSA-N 191.230 1.603 10 10 ADCE [N-]=[N+]=N[C@H]1CC=CC[C@@H]1O 34213168 UHAGTQQTBGSUKD-WDSKDSINSA-N 139.158 1.376 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCC[C@@H]1O 36379426 DXFAAMPAKSPSPV-RQJHMYQMSA-N 155.201 1.990 10 10 ADCE Cc1c(C(=O)C=[N+]=[N-])[nH]c2ccccc12 37632821 DGFOVZPOCMZBHW-UHFFFAOYSA-N 199.213 1.960 10 10 ADCE CCCCC(=O)NCCCN=[N+]=[N-] 44377128 ABBKBQRWOMWIPW-UHFFFAOYSA-N 184.243 1.993 10 10 ADCE CC(C)[C@@H](N)c1cccc(O)c1O 95660648 TWHBPSGCZJXAQQ-SECBINFHSA-N 181.235 1.754 10 10 ADCE CC[C@H](N)c1cccc(O)c1O 95673863 IKWALRLXPGXSTR-ZETCQYMHSA-N 167.208 1.508 10 10 ADCE CSCN=[N+]=[N-] 196195159 NGMZPEYWPOPXIB-UHFFFAOYSA-N 103.150 1.617 10 10 ADCE CC[C@@H](N)c1cc(O)cc(OC)c1O 238276345 JVEWRKRYXDFCFC-MRVPVSSYSA-N 197.234 1.516 10 10 ADCE CCc1nn[nH]c1CN=[N+]=[N-] 238289485 XMVBREDEWATZTD-UHFFFAOYSA-N 152.161 1.177 10 10 ADCE COc1ccc([C@@H](O)N=[N+]=[N-])cc1 238339793 DRCMEXRXICVBME-MRVPVSSYSA-N 179.179 1.996 10 10 ADCE COC(=O)C1(C)CC(N=[N+]=[N-])C1 238372673 IKZMGFZKXDWPAE-UHFFFAOYSA-N 169.184 1.638 10 10 ADCE COc1cc(C)c2c(c1O)CNCC2 257821971 GFOLEANMWIHHGJ-UHFFFAOYSA-N 193.246 1.355 10 10 ADCE COc1cc(O)c(CNO)cc1C 258019160 IBHPCKMJJLNPFV-UHFFFAOYSA-N 183.207 1.188 10 10 ADCE C[C@]1(c2ccccc2O)NCC[C@H]1F 258139979 QYOCGJUZCCZMLW-GHMZBOCLSA-N 195.237 1.939 10 10 ADCE Cc1cc(O)c(CNO)cc1Cl 258168100 VRCQPRMEQISFEF-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE COc1ccc(N2CCC2)c(OC)c1 307440810 YFSUHQASQBXAAW-UHFFFAOYSA-N 193.246 1.914 10 10 ADCE c1ccc2c(c1)NC[C@H]1OCC[C@@H]1N2 703129566 WQERMPHPBVIGMS-WDEREUQCSA-N 190.246 1.682 10 10 ADCE NCC(CN)N=Nc1ccccc1 888084881 IXXFOZSMPMCUMI-UHFFFAOYSA-N 178.239 1.056 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CCOC2CC2)C1 1912185101 LUPFBSAFTSBZRM-QMMMGPOBSA-N 196.254 1.550 10 10 ADCE CC[C@H](C)[C@H]1CN[C@H](CN=[N+]=[N-])O1 1912207281 NLTLKBOCMFZUJT-RNJXMRFFSA-N 184.243 1.657 10 10 ADCE N[C@@]1(c2ccccc2O)CCSC1 1928467191 HVTDGFBYCOQLIA-JTQLQIEISA-N 195.287 1.683 10 10 ADCE NCCC=CCc1ccc(O)c(O)c1 1951727554 WZDPOQBZWOFFQD-UHFFFAOYSA-N 193.246 1.545 10 10 ADCE CNCCCCc1cc(O)nc(O)c1 1952135286 LFFFUELDLFEFKZ-UHFFFAOYSA-N 196.250 1.035 10 10 ADCE NC1CC(c2cc(O)c(O)c(O)c2)C1 1952416736 GPYKZDRXSCRIFR-UHFFFAOYSA-N 195.218 1.008 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2OCC[C@@H]2O1 1953594444 WCOGCWAUUQXEPN-ACZMJKKPSA-N 169.184 1.243 10 10 ADCE Nc1cc(O)c(O)c(C(F)(F)F)c1 2055138781 LBCRJAITEZWYFH-UHFFFAOYSA-N 193.124 1.699 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@@H]1C(=O)O 2208963936 OGWWYOCSBIEZBM-UHNVWZDZSA-N 155.157 1.408 10 10 ADCE CCSCc1nc[nH]c1C 34246177 OREQXUCQAXRGRG-UHFFFAOYSA-N 156.254 1.971 10 10 ADCE [N-]=[N+]=NC[C@H]1COC2(CCCC2)O1 42391189 DMIFJVDDGCCQDO-ZETCQYMHSA-N 183.211 1.982 10 10 ADCE COc1ccc(N(C)C2CNC2)cc1 82373072 UWZGBFDVYRKMDT-UHFFFAOYSA-N 192.262 1.103 10 10 ADCE C[C@H](N)c1ccc2c(c1)OCCN2C 82891436 DKLGAPKWLDNFCW-QMMMGPOBSA-N 192.262 1.535 10 10 ADCE Nc1cc(Cl)c(O)c(O)c1O 83165160 UPTUTRMTVIZCAO-UHFFFAOYSA-N 175.571 1.039 10 10 ADCE CN(C)CCSCCCN=[N+]=[N-] 87417158 NCVAXKGYTNTUQJ-UHFFFAOYSA-N 188.300 1.982 10 10 ADCE COC(=O)[C@]1(/N=N/C2CC2)CC12CC2 100053262 IOHUYOQAZPJXJS-PJSNMCHCSA-N 194.234 1.697 10 10 ADCE Nc1ccc(CN2C[C@H]3C[C@@H]3C2)cc1 107133598 AXRVBOHFVNNRCX-GHMZBOCLSA-N 188.274 1.721 10 10 ADCE Nc1ccc(N2CCC2)cc1CCO 167977032 ZCKMSXOYAUQDQA-UHFFFAOYSA-N 192.262 1.014 10 10 ADCE CC(C)[C@H](N)c1cc(N)cc(F)c1O 211740847 PJWPGIGOOXGYPE-VIFPVBQESA-N 198.241 1.769 10 10 ADCE COc1ccc2c(c1C=O)CCN2C 213527771 YTJRPBHAYJZUDS-UHFFFAOYSA-N 191.230 1.500 10 10 ADCE ONCc1cc(F)cc(F)c1O 214090435 KHMTUCPMEMTLOP-UHFFFAOYSA-N 175.134 1.149 10 10 ADCE COc1cc(O)c([C@H](C)N)c(F)c1 214406641 ALTUXPRPZYUSMT-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE C[C@@H]1C=Cc2cc(O)c(O)cc2[C@H]1O 238471053 OIOBYNBBKZEEDX-KBUNVGBDSA-N 192.214 1.794 10 10 ADCE [N-]=[N+]=NCCCn1cccc(O)c1=O 238728359 DNWWKLNHWGGNMV-UHFFFAOYSA-N 194.194 1.254 10 10 ADCE CONCc1cc(F)c(C)cc1O 257984747 FANYEFPYJOAKJM-UHFFFAOYSA-N 185.198 1.491 10 10 ADCE Cc1cc([C@H](C)CN)c(O)c(O)c1C 258116034 QCCKZLXAIFILRA-SSDOTTSWSA-N 195.262 1.777 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2C[C@H]1C[C@@H]2CO 306166549 BDMOGKSTPCYRPM-CWKFCGSDSA-N 167.212 1.704 10 10 ADCE C[C@@H]1C[C@H](N=[N+]=[N-])C[C@H]1N 306659999 PRIHAPLJAISSNB-NGJCXOISSA-N 140.190 1.423 10 10 ADCE C[C@H]1C[C@H](C)N(CCN=[N+]=[N-])C1=O 307172971 NSKQFHXYELSUTM-BQBZGAKWSA-N 182.227 1.554 10 10 ADCE CC1([C@H](NCCN=[N+]=[N-])C(=O)O)CC1 687316354 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62719802 JBYDXPNHIIFEDK-UHFFFAOYSA-N 190.202 1.415 10 10 ADCE Oc1ccc(C2=NNCCC2)cc1 75566610 IXDBREVMNTXONC-UHFFFAOYSA-N 176.219 1.480 10 10 ADCE CC(=O)C(=O)CC1CCCC1 84426816 GEVJVJOXZIOIJZ-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE NC1=CC(=S)CCC1 104651201 RNEBOUHJCYXQRL-UHFFFAOYSA-N 127.212 1.383 10 10 ADCE CN(C)c1cccc(O)c1O 138681154 QTWHVRYEHJSESG-UHFFFAOYSA-N 153.181 1.164 10 10 ADCE CNCc1c(C)cc(OC)c(C)c1O 213866980 RHXSGDASCLGKSW-UHFFFAOYSA-N 195.262 1.737 10 10 ADCE Cc1c(CCN)cc(O)c(O)c1C 258032835 PGKUTGVEOYJJQT-UHFFFAOYSA-N 181.235 1.216 10 10 ADCE O=C1C(=O)[C@@H]2CCC[C@@]23CCC[C@H]13 306271689 UJYQCQPCEVBBSB-VHSKPIJISA-N 178.231 1.725 10 10 ADCE [N-]=[N+]=NCc1c[nH]nc1[N+](=O)[O-] 1535755863 OEZVCGVISYFKBY-UHFFFAOYSA-N 168.116 1.128 10 10 ADCE CSC[C@@H](CO)N=[N+]=[N-] 1536204122 RACHHJYOKUPKTN-SCSAIBSYSA-N 147.203 1.021 10 10 ADCE Cc1ccc(CN[C@@H]2C[C@@H]2F)c(O)c1 1877992297 LDSJBAUIBDQDMM-VHSXEESVSA-N 195.237 1.901 10 10 ADCE CO[C@@H]1C[C@@H]1NCc1ccccc1O 1887328840 LPCHBXANJJHFIC-GXSJLCMTSA-N 193.246 1.269 10 10 ADCE CC[C@H](N)CCN=[N+]=[N-] 1890568217 OILWFOTYQUZJIR-YFKPBYRVSA-N 128.179 1.424 10 10 ADCE CCn1ccnc1C=C[C@H](C)CN 1931100450 ALJSJJDKSKOGLJ-VIFPVBQESA-N 179.267 1.511 10 10 ADCE CC(=O)C(=O)c1ccnc(F)c1F 1951899930 IXDLJGTXUAOKTO-UHFFFAOYSA-N 185.129 1.132 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@H]1CC[C@H]1N 1954207628 YVYISRPWRJCNBQ-HTQZYQBOSA-N 183.259 1.108 10 10 ADCE CC1CC2(CO[C@@H](CN=[N+]=[N-])N2)C1 1954715531 CEISYMOTKHGRIN-WTIBDHCWSA-N 182.227 1.411 10 10 ADCE Oc1c(F)cc(F)cc1CN1CCC1 2241764343 JLJZUSSIMZPBAT-UHFFFAOYSA-N 199.200 1.876 10 10 ADCE C[C@@H](Cc1ccc(O)c(O)c1)NO 34455119 IKBIYXACJDZMFU-LURJTMIESA-N 183.207 1.008 10 10 ADCE CC(=O)c1cc(O)cc(O)c1O 39072318 RKBOJPBPBSRYRN-UHFFFAOYSA-N 168.148 1.006 10 10 ADCE CN[C@@H](C)c1ccc(F)cc1O 62744662 OSRPRJKBIQMTKF-LURJTMIESA-N 169.199 1.812 10 10 ADCE CONCc1cc(C)cc(C)c1O 75067769 KWTGNZDWSSKBMV-UHFFFAOYSA-N 181.235 1.660 10 10 ADCE Cc1cc2ccn(C)c2cc1CCN 75450083 ADYFLNUDEJSHAW-UHFFFAOYSA-N 188.274 1.988 10 10 ADCE CCCN[C@@H](C)/N=N/C 104616410 MSRXPKVAMVIBGT-LPWOPMKCSA-N 129.207 1.414 10 10 ADCE CC(=O)C(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2 195918197 XVGGBJCVNIXEOH-DJLDLDEBSA-N 164.204 1.357 10 10 ADCE CC1(C)CCC[C@@H](N=[N+]=[N-])C(=O)N1 198775876 RNNDSFRRVIWJKP-ZCFIWIBFSA-N 182.227 1.744 10 10 ADCE COC1(C)CN(c2ccc(N)cc2)C1 224841084 OSXWRJVCXOIPJG-UHFFFAOYSA-N 192.262 1.494 10 10 ADCE CC[C@](C)(Cl)C(=O)C(C)=O 230481406 DLECEJAYJQAXMT-ZETCQYMHSA-N 162.616 1.552 10 10 ADCE CC[C@H](N)c1c(O)cc(N)cc1F 238309331 LMMCWZMCHSNCPS-ZETCQYMHSA-N 184.214 1.523 10 10 ADCE COc1cc2c(cc1OC)N(C)CN2 238395307 IIJZQFNPZSBZRC-UHFFFAOYSA-N 194.234 1.523 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@@H]1N 238648896 QURWPRWUDYEQNR-WDSKDSINSA-N 140.190 1.567 10 10 ADCE Cc1c([C@@H](C)N)cc(O)c(O)c1C 258105980 YKRFWDGTRGHWNE-SSDOTTSWSA-N 181.235 1.734 10 10 ADCE CC1(C)CN[C@@H](c2ccccc2O)O1 258596004 QMGRGOHYHDATGN-SNVBAGLBSA-N 193.246 1.789 10 10 ADCE CNC(=O)CSCCCN=[N+]=[N-] 300781091 FUTAZPCACRHYFR-UHFFFAOYSA-N 188.256 1.166 10 10 ADCE NCc1ccc(N2CCC2)cc1F 306440807 QVPCYERTCIOTQV-UHFFFAOYSA-N 180.226 1.495 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](N)[C@H](F)C1 307210399 MJZXEXNHDVRUDN-HSUXUTPPSA-N 158.180 1.515 10 10 ADCE COC(=O)N=N/C=C\Cl 307816632 KSCUHXBJAUQSCF-FKIGLYRESA-N 148.549 1.915 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1CCCOC1 401476231 RUAQLYPQARGNJH-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1C[C@@H]1CF 1883150016 JQYFKMHNEQNHQQ-HTQZYQBOSA-N 186.234 1.834 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H]1CC[C@@H]1O 1887717354 JGINADVRIMZFKS-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NC1CCN([C@@H]2CC[C@H]2O)CC1 1912184205 XINHHNRHTQPRBZ-RKDXNWHRSA-N 196.254 1.284 10 10 ADCE C[C@@H]1C[C@]1(N)c1cccc(O)c1O 1951720828 AHRUKYSHSDCZAX-LHLIQPBNSA-N 179.219 1.292 10 10 ADCE C[C@@H]1C[C@]2(C(=O)NCCN=[N+]=[N-])C[C@@H]12 1955596615 FATYOUIMLPDNKR-FJXKBIBVSA-N 194.238 1.459 10 10 ADCE C[C@H]1[C@@H](O)C[C@@H](C)CN1CCN=[N+]=[N-] 2209756201 BOQMLDLJCUSIHH-VGMNWLOBSA-N 198.270 1.388 10 10 ADCE CC(=O)N(C)[C@@H](C)c1ccccc1O 38089510 DUNAGSZBMSHDRC-QMMMGPOBSA-N 193.246 1.932 10 10 ADCE CCCN(C)CCN=[N+]=[N-] 42415899 PSDBGMDEXQNZGO-UHFFFAOYSA-N 142.206 1.639 10 10 ADCE Cc1ccc(CNO)c(O)c1Cl 82880015 KPCVJADWRVFODR-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE C[C@@H](N)/C=C/c1ccc(O)c(O)c1 83591215 PJPADANVRHANQF-TYWZFMJISA-N 179.219 1.458 10 10 ADCE CNCc1cc(F)c(O)c(F)c1O 214538810 SYUNOZKLWZVPJH-UHFFFAOYSA-N 189.161 1.095 10 10 ADCE N[C@@H]1CC[C@H](c2cc(O)nc(O)c2)C1 238584087 QNIZHKXXCQBTGL-POYBYMJQSA-N 194.234 1.088 10 10 ADCE Cc1cc(CO)c(O)c(O)c1C 257915638 BODADLCIVKQLSO-UHFFFAOYSA-N 168.192 1.207 10 10 ADCE Cc1cc(C[C@@H](C)O)cc(O)c1O 258075641 MOGZHZRFYQPRGU-SSDOTTSWSA-N 182.219 1.330 10 10 ADCE CO[C@]1(CN=[N+]=[N-])CCOC1 575453138 PJXNLQSNSZJYDP-LURJTMIESA-N 157.173 1.102 10 10 ADCE N#CN1CCC[C@@H]1CN=[N+]=[N-] 575564535 GTAJQDADVMIOCH-ZCFIWIBFSA-N 151.173 1.242 10 10 ADCE C[C@]12C[C@](CN=[N+]=[N-])(CO1)C2 1880500729 BBLDSCMHSYVKCX-KNVOCYPGSA-N 153.185 1.866 10 10 ADCE CCc1ccn(CCN=[N+]=[N-])n1 1880973179 IBUQGLMDXJZCSP-UHFFFAOYSA-N 165.200 1.756 10 10 ADCE [N-]=[N+]=NC1CN(Cc2cnsn2)C1 1912153779 JCSNIMXNFVFJJN-UHFFFAOYSA-N 196.239 1.033 10 10 ADCE CC[C@@](O)(C(=O)C(C)=O)[C@@H]1CC1(C)C 1929188401 UGAQIOPXTLYIDA-KCJUWKMLSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cncc(Cl)n1 1951456869 JSAKBNSBHVMCCE-RXMQYKEDSA-N 199.601 1.474 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@H]1CN 1957247253 NMRLTQAZJHBUEN-VIFPVBQESA-N 197.286 1.500 10 10 ADCE C[C@H](N)[C@H](C)Sc1nccs1 81889612 VHGYBBZYBZBRFH-WDSKDSINSA-N 188.321 1.971 10 10 ADCE [N-]=[N+]=NC[C@H]1COc2cccnc2O1 138569618 HSXAXQKKMSALIN-LURJTMIESA-N 192.178 1.532 10 10 ADCE Nc1ccc(CC2=NCCCN2)cc1 168871432 TVZKCIWBSWWHCL-UHFFFAOYSA-N 189.262 1.203 10 10 ADCE C[C@@H](N)C1(c2cccc(O)c2O)CC1 257962711 BZXOKRDTJOYVHA-SSDOTTSWSA-N 193.246 1.477 10 10 ADCE Nc1ccc(OC(=O)NC2CC2)cc1 306836955 VDEILGZITPLMNP-UHFFFAOYSA-N 192.218 1.520 10 10 ADCE N[C@H]1CC(=O)c2cc(F)c(F)c(O)c21 713769143 AFEJWUJUHHZXHU-YFKPBYRVSA-N 199.156 1.257 10 10 ADCE CC(C)[C@]1(C)CO[C@H](CN=[N+]=[N-])N1 885456422 RSKNLHTYJRXWLP-SFYZADRCSA-N 184.243 1.657 10 10 ADCE Oc1cccc(OC(F)F)c1O 958755484 UDOLPIDTIUAFLK-UHFFFAOYSA-N 176.118 1.699 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H]1C[C@@H]2CCO[C@H]12 1877973095 HVVJVBQUKIKTQK-XAMCCFCMSA-N 183.211 1.083 10 10 ADCE CC[C@H](CN)Oc1ccc(N)cc1 1883786319 KBAMEBVHSPZNCH-SECBINFHSA-N 180.251 1.385 10 10 ADCE C[C@]12C[C@H]1CN(CCN=[N+]=[N-])C2 1912176917 ACQHKVAUNJXRIX-JGVFFNPUSA-N 166.228 1.639 10 10 ADCE O=C1CCO[C@H]1c1ccc(O)c(O)c1 1952157184 HZFFQHDAIGLEHH-JTQLQIEISA-N 194.186 1.128 10 10 ADCE CC(C)C(=O)NCC1(CN=[N+]=[N-])CC1 1957230055 MSFJRSDFIKFOAT-UHFFFAOYSA-N 196.254 1.849 10 10 ADCE CCOc1ccc(C)c(O)c1O 2054940190 XAYAXJZJSYKHDY-UHFFFAOYSA-N 168.192 1.805 10 10 ADCE Nc1c(C2CC2)sc(C(=O)O)c1O 2080392459 SURSWNSICLVEMZ-UHFFFAOYSA-N 199.231 1.612 10 10 ADCE Cc1ccc([C@H](N)C(=O)O)c(O)c1C 72191114 FAUQXDDOAXFZPR-QMMMGPOBSA-N 195.218 1.093 10 10 ADCE Oc1cccc2c1[C@@H](C1CC1)NCC2 83660295 NFESTPFNKVYVKS-GFCCVEGCSA-N 189.258 1.989 10 10 ADCE COc1cc([C@@H](C)N)cc(O)c1O 104523776 KNJKCNZGJHXZGY-RXMQYKEDSA-N 183.207 1.126 10 10 ADCE COc1cc([C@@H](C)N)c(O)cc1C 104524647 JHZBQOOYHYZWBZ-SSDOTTSWSA-N 181.235 1.729 10 10 ADCE Nc1ccc(Cn2ccnc2O)cc1 108267958 YVGQRRAJCQXTLH-UHFFFAOYSA-N 189.218 1.219 10 10 ADCE CON[C@@H](C)c1ccc(O)cc1O 134238982 UPYJHIKUCNSKPG-LURJTMIESA-N 183.207 1.310 10 10 ADCE CC(=O)c1c(Cl)ccc(O)c1O 199614538 ISZUFXOBZUCEBV-UHFFFAOYSA-N 186.594 1.954 10 10 ADCE CN1CC[C@H]1Cc1ccc(N)cc1 212675607 HSAPWAFASSCFKD-NSHDSACASA-N 176.263 1.515 10 10 ADCE Cc1cc(F)c(C)c(CN)c1O 213943161 NCGBKWPRUYTLIH-UHFFFAOYSA-N 169.199 1.607 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H]1OCC[C@@H]2CCN21 238459221 TXLBNGAGKQASMN-FXQIFTODSA-N 182.227 1.506 10 10 ADCE Cc1cccc(/N=N/C(N)=O)c1O 238497965 HOSGQUANWJPLQM-ZHACJKMWSA-N 179.179 1.863 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCC[C@@H]1O 238673977 WPGVNILMHPRPCL-RQJHMYQMSA-N 155.201 1.848 10 10 ADCE N[C@H](CF)c1cccc(O)c1O 238685522 PCZQQTLGAXKNOJ-ZCFIWIBFSA-N 171.171 1.067 10 10 ADCE OCCc1c(Cl)ccc(O)c1O 258021679 IHEXFRBITPKODB-UHFFFAOYSA-N 188.610 1.286 10 10 ADCE CCn1ccnc1C1=CCCNC1 306230189 JFRLLPVLYDEJGZ-UHFFFAOYSA-N 177.251 1.280 10 10 ADCE Oc1ccccc1CNc1cnc[nH]1 307638728 YRMPOBDGVABAMO-UHFFFAOYSA-N 189.218 1.727 10 10 ADCE CC[C@@H](CO)N(C)c1ccc(N)cc1 379173970 PXQYMHATZDCTFM-JTQLQIEISA-N 194.278 1.476 10 10 ADCE CC(=O)[C@@H](N=[N+]=[N-])[C@H](O)c1ccco1 687756978 WWOIDHPSFRTQNE-HTQZYQBOSA-N 195.178 1.581 10 10 ADCE C[C@@H]1CCC(=O)N(CCCN=[N+]=[N-])C1 708341871 WPYFCIFKCOPIMP-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE CC(C)(C)[C@H]1C[C@H](N=[N+]=[N-])C(=O)N1 1772716609 IYWXFRVPIGPBIW-NTSWFWBYSA-N 182.227 1.600 10 10 ADCE COC[C@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 1885286464 KGZKNIOWHGQVNV-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE Nc1ccc(NC[C@H]2CCCN2)cc1 1888905585 QOBWNVOZOZBMIF-LLVKDONJSA-N 191.278 1.433 10 10 ADCE COc1ccc2c(c1)C(=CO)C(=O)N2 1911602786 UDQDJSBQVNJISQ-UHFFFAOYSA-N 191.186 1.546 10 10 ADCE C[C@@H](O)CN1CCC[C@H](N=[N+]=[N-])CC1 1934379053 XLUMMWLLZYMVSF-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NCCNC1(C(=O)O)CCCC1 85223770 LCJDWKZZHQTIGB-UHFFFAOYSA-N 198.226 1.284 10 10 ADCE C[C@H]1CN[C@H](CN=[N+]=[N-])SC1 87604690 GKWDGPQYJBGQBH-WDSKDSINSA-N 172.257 1.595 10 10 ADCE Cc1ccc([C@H](N)[C@@H](C)O)c(O)c1 95659657 QTRMHNAJUGDJLM-GMSGAONNSA-N 181.235 1.081 10 10 ADCE O=C1CC(=O)c2cc([N+](=O)[O-])ccc21 105521973 YCLPUSCNHPHIIA-UHFFFAOYSA-N 191.142 1.364 10 10 ADCE CC(C)[C@@H](O)CN=[N+]=[N-] 130777568 JSAULPOVONRDHY-YFKPBYRVSA-N 129.163 1.314 10 10 ADCE Cc1cccc(N)c1N[C@H](C)CCO 132338726 KHXHGNMEMYENJM-SECBINFHSA-N 194.278 1.760 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H]2OC(=O)C[C@H]12 224818690 GDTPOQHXUXZNQC-FSDSQADBSA-N 181.195 1.781 10 10 ADCE N[C@H](CF)c1cccc(F)c1O 238685456 TZTHGAGZFZGCRT-SSDOTTSWSA-N 173.162 1.501 10 10 ADCE Cc1ccc(O)c(CNO)c1C 258070548 UORWJOHNJKAARK-UHFFFAOYSA-N 167.208 1.488 10 10 ADCE Cc1ccc(C=[N+]=[N-])cc1[N+](=O)[O-] 306527860 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ADCE Cc1ccc([C@H]2COCCN2)c(O)c1 82892695 SNWHRUDOUBHCML-SNVBAGLBSA-N 193.246 1.362 10 10 ADCE Cc1c(F)ccc([C@@H](N)[C@H](C)O)c1O 95770088 CROBXLYRALSHEH-RCOVLWMOSA-N 199.225 1.220 10 10 ADCE [N-]=[N+]=N[C@@H](CO)Cc1ccccc1 196286488 RKPLSDGWSKAAFS-SECBINFHSA-N 177.207 1.900 10 10 ADCE C[Si]1(C)C[C@@H](N)[C@H](N=[N+]=[N-])C1 196394490 SYRWRMVSYBWWMF-PHDIDXHHSA-N 170.292 1.715 10 10 ADCE CCO[C@H](CN)c1ccc(O)c(O)c1 217038238 OGMYIXYLBQTNIC-SNVBAGLBSA-N 197.234 1.134 10 10 ADCE CC[C@@H](N)c1cc(N)cc(C)c1O 238275664 OIJMGEWIUORNDH-SECBINFHSA-N 180.251 1.693 10 10 ADCE C[C@H]1Cc2cccc(O)c2CN1 238484211 WQXLOMWOVRTDHZ-ZETCQYMHSA-N 163.220 1.426 10 10 ADCE [N-]=[N+]=NCCCCCC(N)=O 238642226 NJHMVRUEYIWPCJ-UHFFFAOYSA-N 156.189 1.342 10 10 ADCE Nc1cc(-c2cccc(O)c2O)on1 257974913 DEGFLMNSHLNSSB-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE NOCCCSc1nccs1 382230885 YLXBZKZIWVIQMG-UHFFFAOYSA-N 190.293 1.516 10 10 ADCE [N-]=[N+]=NC[C@H](O)Cc1ccco1 687756586 QCWYXFHAXJIQSC-ZCFIWIBFSA-N 167.168 1.493 10 10 ADCE 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182.242 1.741 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@H]2CC[C@H]1N2 226049639 GCTZTOQVLUFQNM-FSDSQADBSA-N 152.201 1.437 10 10 ADCE Cc1cc(F)cc([C@@H](N)CF)c1O 238528992 GWSJSEZZJQBJFO-QMMMGPOBSA-N 187.189 1.809 10 10 ADCE CNCCCc1cc(O)c(O)cc1C 257828364 IJSVIGHPCRIRKZ-UHFFFAOYSA-N 195.262 1.558 10 10 ADCE CONCc1c(O)ccc(F)c1C 258126598 REBQWNQJKBIQLT-UHFFFAOYSA-N 185.198 1.491 10 10 ADCE Nc1ccccc1N[C@H]1CCC[C@@H]1O 306486112 OGXDHAYKRYIOIE-QWRGUYRKSA-N 192.262 1.594 10 10 ADCE NC(=O)N=Nc1ccccc1O 333731131 ZRRHHIIVRAVLNJ-UHFFFAOYSA-N 165.152 1.555 10 10 ADCE CC=CC(=O)NCCCN=[N+]=[N-] 1911538631 TZJSGDYLLYYZGI-UHFFFAOYSA-N 168.200 1.379 10 10 ADCE [N-]=[N+]=NC1CN(CCN2CCCC2)C1 1912164191 UADADBXQXWFHJV-UHFFFAOYSA-N 195.270 1.077 10 10 ADCE CCON(C)CCCN=[N+]=[N-] 1912210912 PMZYXBGHTYYGAU-UHFFFAOYSA-N 158.205 1.570 10 10 ADCE COC[C@](C)(N)c1cccc(C)c1O 1951662179 AJCHNMZWTIVHDE-NSHDSACASA-N 195.262 1.521 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H]2CCC[C@H]2C[C@H]1O 1953625857 IUGXYLCNEOTLJU-RULNZFCNSA-N 167.212 1.846 10 10 ADCE C[C@H](CO)c1ccc(O)c(O)c1 15113221 BJVPMLXHUPSDMO-ZCFIWIBFSA-N 168.192 1.194 10 10 ADCE Oc1ccc(Nn2cccc2)cc1O 28758596 SSFGGUAHHMNCJX-UHFFFAOYSA-N 190.202 1.775 10 10 ADCE CCc1nccn1CCN=[N+]=[N-] 42420144 LIKZTKCRGDTLLM-UHFFFAOYSA-N 165.200 1.756 10 10 ADCE CCCN1CCN(CCN=[N+]=[N-])CC1 48804657 AIBWMWGNBYFHQD-UHFFFAOYSA-N 197.286 1.324 10 10 ADCE CNCc1ccc(N(C)C)cc1C 50581545 VHZUALAYPGLIBE-UHFFFAOYSA-N 178.279 1.780 10 10 ADCE C[C@@H]1CCCC[C@H]1NC(=O)CN=[N+]=[N-] 104701915 MZIKPYPAUCSAEW-HTQZYQBOSA-N 196.254 1.992 10 10 ADCE Cc1cc(O)c(C2(N)CC2)cc1F 214261525 IZCNOQLWHHOSKU-UHFFFAOYSA-N 181.210 1.788 10 10 ADCE C[C@H]1CNC(C)(C)CN1CCN=[N+]=[N-] 1888267541 QXBVMRIIFODADV-QMMMGPOBSA-N 197.286 1.369 10 10 ADCE CC1(C)CN[C@H](CN=[N+]=[N-])C1 1912168583 FBORHHWZAVPXNT-LURJTMIESA-N 154.217 1.685 10 10 ADCE Cc1ccc([C@H]2CC(=O)N2)c(O)c1 1951666470 WHEWQZWDGYHQJM-MRVPVSSYSA-N 177.203 1.262 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)C1[C@H]2CC[C@H]12 1955489973 UTESTXVRSHDMFF-BQBZGAKWSA-N 194.238 1.411 10 10 ADCE CCc1ccc(O)c(O)c1CC(=O)O 2060120872 KRAMCQHWQDFSRG-UHFFFAOYSA-N 196.202 1.287 10 10 ADCE CO[C@@H]1CCNc2ccccc2NC1 2209641997 GFQIARFVEDKLKB-SECBINFHSA-N 192.262 1.929 10 10 ADCE C[C@H](CCN(C)C)N(C)CCN=[N+]=[N-] 2242124790 CGYVTHKZVHAZMA-SECBINFHSA-N 199.302 1.569 10 10 ADCE C[S@](=O)CCc1ccc(N)cc1 40972225 MFZMXTWNEWSKTE-GFCCVEGCSA-N 183.276 1.190 10 10 ADCE NCc1c(O)ccc2cc[nH]c12 82404844 DNGOONSETQJGKQ-UHFFFAOYSA-N 162.192 1.332 10 10 ADCE NCc1ccc2c(c1O)CCC[C@H]2O 82636983 NZLAZEJSINRAJK-SNVBAGLBSA-N 193.246 1.221 10 10 ADCE CC(=[N+]=[N-])C(=O)OCc1ccccc1 84311351 DNIHYHQSMXFCEK-UHFFFAOYSA-N 190.202 1.421 10 10 ADCE CN(C(=O)CN=[N+]=[N-])C1=CCCC1 104702669 VKOPBPDKEJVUHS-UHFFFAOYSA-N 180.211 1.823 10 10 ADCE C[C@H]1CC(=O)c2ccc(O)c(O)c2O1 137707302 NCFSJWPMDRIWGD-YFKPBYRVSA-N 194.186 1.452 10 10 ADCE ONCc1ccc(F)c(F)c1O 214090573 CTWGEYWYMPTEBJ-UHFFFAOYSA-N 175.134 1.149 10 10 ADCE CCCC(=O)C(=O)C1CCOCC1 219084432 YCNQVWZOHCAJIV-UHFFFAOYSA-N 184.235 1.351 10 10 ADCE 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1.550 10 10 ADCE C[C@H]1CC(=O)c2cc(O)c(O)cc21 75568252 FZTLWSJIYCOFPS-YFKPBYRVSA-N 178.187 1.788 10 10 ADCE CCc1cc(C)cc(O)c1O 204175201 IFERDVOUSBGAOD-UHFFFAOYSA-N 152.193 1.969 10 10 ADCE COCO[C@@H]1[C@H](N=[N+]=[N-])C=CO[C@@H]1C 209494795 ZJPZKHNRQBWLJI-PRJMDXOYSA-N 199.210 1.587 10 10 ADCE C[C@H](F)c1ccc(O)c([C@@H](N)CO)c1 214165301 CWNIJBCCPKWNLG-RCOVLWMOSA-N 199.225 1.415 10 10 ADCE CC(C)(C(=O)O)c1cccc(O)c1O 221432472 NBTWGFLMPJIKOY-UHFFFAOYSA-N 196.202 1.460 10 10 ADCE COC(=O)CC1=CC[C@@H](N=[N+]=[N-])C1 238322021 WSSROIQANFMBII-SSDOTTSWSA-N 181.195 1.949 10 10 ADCE O=C1N[C@@H]2c3ccoc3C[C@H]2/C1=C/O 238609489 BYPLELUHHUEXDD-NPXUFPKXSA-N 191.186 1.065 10 10 ADCE N[C@H](CCO)c1ccc(S)cc1O 238676152 IRJZCDHYGGZQFF-MRVPVSSYSA-N 199.275 1.063 10 10 ADCE Cc1c(CCCO)cc(O)c(O)c1C 257953919 BFEVTKGBRKIIJH-UHFFFAOYSA-N 196.246 1.640 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@@H]2C1 306739895 BGRXLIXEAGKGBC-RNFRBKRXSA-N 152.201 1.248 10 10 ADCE [N-]=[N+]=NCCOCC(F)F 306816737 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[N-]=[N+]=NCCCOC1CCNCC1 1884250352 XBUZXMFHOZQATJ-UHFFFAOYSA-N 184.243 1.455 10 10 ADCE COC[C@@H]1C[C@@H]1CN(C)CCN=[N+]=[N-] 1888107543 ZCSHWKAAQDTTAY-BDAKNGLRSA-N 198.270 1.511 10 10 ADCE CCC1(C(=O)N2CC(N=[N+]=[N-])C2)CC1 1912164218 UFLIHROUSHKDNI-UHFFFAOYSA-N 194.238 1.698 10 10 ADCE CO[C@@H]1CC[C@@]1(N)c1ccccc1O 1928479688 YANSQYJABKOKJS-GHMZBOCLSA-N 193.246 1.355 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCC(C)(C)C1 1929141962 SWFVTXCVSSOMHE-LLVKDONJSA-N 198.262 1.476 10 10 ADCE CC(=O)C(=O)c1nccn1C(C)C 1952155208 JEXBXQXHMTZQEZ-UHFFFAOYSA-N 180.207 1.236 10 10 ADCE OC[C@]1(F)C[C@@H]1c1ccc(O)c(O)c1 1952388836 FXRQWFWZMFVFKU-GMSGAONNSA-N 198.193 1.286 10 10 ADCE [N-]=[N+]=NCCCN1CCN[C@H]2CC[C@H]21 1957243217 DHLRVFWYZBKVAX-DTWKUNHWSA-N 195.270 1.123 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCC[C@H]1CN 1957245304 WRZLDMUMDMWJIF-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE CNC[C@@H]1CCCN1CCCN=[N+]=[N-] 1957249396 JZMFDHBJUFDMJO-VIFPVBQESA-N 197.286 1.371 10 10 ADCE CSc1ccc(O)c(O)c1N 2060282370 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XVVXCVBOOHBVBE-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CCn1ccnc1/C=C1/CCNC1 575562257 ZTQHPZAMEJLSKO-CLFYSBASSA-N 177.251 1.280 10 10 ADCE CC(=O)[C@@H]1CNc2ccccc2N1 616690560 QCXVVNXESMKWSG-JTQLQIEISA-N 176.219 1.482 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@H]21 706804674 ZTQRITOHYLEUBV-HTQZYQBOSA-N 166.228 1.781 10 10 ADCE Nc1ccc(N2C[C@H](F)[C@H](F)C2)cc1 714665123 IOYZHALUBHHRTO-AOOOYVTPSA-N 198.216 1.765 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccon1 1535830912 VEHDJAMLDUSLOL-YFKPBYRVSA-N 154.129 1.018 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cccnc1F 1535864143 JEDFVSLFEHWYIZ-ZCFIWIBFSA-N 182.158 1.564 10 10 ADCE CN(O)Cc1c(O)cccc1Cl 1536167499 NHQFXWSWAZFSFN-UHFFFAOYSA-N 187.626 1.867 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H]1F 1772771478 WIQWYOZJIAKWJO-DMTCNVIQSA-N 115.111 1.797 10 10 ADCE Oc1cccc(CN[C@H]2C[C@H]2F)c1O 1887535909 GOWXKWGAIMPIGA-SFYZADRCSA-N 197.209 1.298 10 10 ADCE CNCC[C@@H](C)Nc1ccccc1N 1888923957 YPHFCOYPPDMXGZ-SECBINFHSA-N 193.294 1.679 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H](N)C12CCC2 1893381891 GITDSYCBXRPMSH-BQBZGAKWSA-N 166.228 1.814 10 10 ADCE [N-]=[N+]=NC1CN(CCC(F)(F)F)C1 1912208248 RBZBIBPEZYYNCL-UHFFFAOYSA-N 194.160 1.933 10 10 ADCE CNCCCCN(C)CCN=[N+]=[N-] 1954206869 NAPKVPLWGYLJIS-UHFFFAOYSA-N 185.275 1.228 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]1[C@H]1C[C@@H]12 1954431707 BEZAVBXSEDIEQV-KZVJFYERSA-N 178.239 1.637 10 10 ADCE CC[C@@H]1CC(=O)N(CCN=[N+]=[N-])[C@@H]1C 1956895132 XHTAKUVQYPLNNZ-HTQZYQBOSA-N 196.254 1.944 10 10 ADCE Cc1cc2c(nn1)-c1ccccc1C2=O 1638975 STADVKHJCBJICA-UHFFFAOYSA-N 196.209 1.996 10 10 ADCE N1=Nc2nonc2N=Nc2nonc21 17823476 SSXRRHOTFXLQNL-UHFFFAOYSA-N 192.098 1.597 10 10 ADCE Nc1ccc(COCCC(=O)O)cc1 68959220 UEKFNLWUTIVLND-UHFFFAOYSA-N 195.218 1.260 10 10 ADCE Oc1ccccc1[C@H]1NCCC[C@H]1O 82388185 SXVHPLIHWFANAK-GHMZBOCLSA-N 193.246 1.178 10 10 ADCE CCc1ccc(O)c(CN(C)O)c1 82873800 AEWJZTHDSHCCQS-UHFFFAOYSA-N 181.235 1.776 10 10 ADCE CC[C@](C)(N)c1cc(O)ccc1O 95758330 FYZFGCXSMQWJAS-JTQLQIEISA-N 181.235 1.682 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@@H]1[N+](=O)[O-] 208509806 ASDNZMMBOHWGEU-WDSKDSINSA-N 170.172 1.885 10 10 ADCE Cc1c(O)c(O)cc(Cl)c1O 238535767 UTHDCZSZPAASLP-UHFFFAOYSA-N 174.583 1.765 10 10 ADCE Oc1cccc(O)c1[C@H]1CCN1 238725272 XHFLRIDXXLJOFN-ZCFIWIBFSA-N 165.192 1.132 10 10 ADCE Oc1ccc(F)c(C2(O)CC2)c1O 258019174 IBPQIEFRVXTYMR-UHFFFAOYSA-N 184.166 1.218 10 10 ADCE C[C@@H](N)c1ccc(O)c(O)c1F 258052411 RPOYFESAJRUAQN-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE OC[C@@H]1C[C@H]1Sc1nccs1 306702549 ADNNHCVWXYJHQS-NTSWFWBYSA-N 187.289 1.616 10 10 ADCE CC(C)CN1CCC(=O)[C@@H]1CN=[N+]=[N-] 712032667 JLHNUSQYTGKKPE-QMMMGPOBSA-N 196.254 1.596 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2COCC[C@H]21 885815018 WZZISCRVKGFWCW-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCc1cnc2cnccn12 1535651656 UQLJLJWPPCNQSX-UHFFFAOYSA-N 188.194 1.582 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@H]2N)cc1 1883134168 METGOGJCEACTQX-NXEZZACHSA-N 177.251 1.170 10 10 ADCE [N-]=[N+]=NCCN1Cc2cncnc2C1 1905639488 ZBPDBKJBAXFHQY-UHFFFAOYSA-N 190.210 1.103 10 10 ADCE C[C@@]1(CN)C[C@H]1c1ccc(O)c(O)c1 1952238174 YQAIBINABLTOAR-KWQFWETISA-N 193.246 1.550 10 10 ADCE Cc1nsc(CN=[N+]=[N-])n1 1953178535 IFESECGGQZMLGC-UHFFFAOYSA-N 155.186 1.657 10 10 ADCE C[C@H](CO)NCc1c(O)cccc1F 1955545453 WKCIKZIMURLVNW-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE Nc1sc(C2CC2)c(N)c1O 2080411977 WYUOYIKJXQPILI-UHFFFAOYSA-N 170.237 1.496 10 10 ADCE CC=CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209521618 WOGZHSLXHIILLY-YUMQZZPRSA-N 194.238 1.910 10 10 ADCE Cc1c(F)ccc(O)c1[C@@H](C)N 104574938 DATFJBJCOMKBPY-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE O=C1NCc2c(O)cccc2N1 147796709 BSBCLJLHZUAIKT-UHFFFAOYSA-N 164.164 1.027 10 10 ADCE CCNCC/C=C\c1nccn1C 211641331 HINKBMKGXCQQRP-XQRVVYSFSA-N 179.267 1.433 10 10 ADCE Cc1cc(O)c(O)c(CN(C)C)c1 212930759 BATJMUMRUYNTHL-UHFFFAOYSA-N 181.235 1.468 10 10 ADCE CC1=C(N=N)C=C/C(=C(/N)O)N1 307401785 JGMUSTNYXOZHPP-GYPIOSDVSA-N 166.184 1.094 10 10 ADCE Cc1occc1[C@H](CO)N=[N+]=[N-] 1536204030 OHDKYKGGAHFZOJ-ZETCQYMHSA-N 167.168 1.932 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1CC2(CC2)C1 1881561727 BSHLKIKVDCOTLJ-ZETCQYMHSA-N 167.212 1.848 10 10 ADCE CCONCc1ccc(C)cc1O 1884126911 UYEBSZKIYVANJY-UHFFFAOYSA-N 181.235 1.742 10 10 ADCE CC[C@@](C)(CN)Oc1ccc(N)cc1 1896268859 NHANPBOASNNODW-NSHDSACASA-N 194.278 1.775 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@@]2(CO)C1 1899606346 POQOTMYGVUUODH-IUCAKERBSA-N 196.254 1.001 10 10 ADCE C[C@H]1COCCN1CCCCN=[N+]=[N-] 1912193665 PQAAHDVMXVYBJF-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@@H]1C[C@]1(N)c1cccc(F)c1O 1951732764 MVUZVEWQYWIRRN-LHLIQPBNSA-N 181.210 1.725 10 10 ADCE C[C@@H]1C[C@]1(CN)c1cccc(O)c1O 1951960982 DVOIJWJVIPSWMP-RDDDGLTNSA-N 193.246 1.334 10 10 ADCE CC(C)[C@H]1CN[C@H](CN=[N+]=[N-])S1 1953461327 YKVLUQVVUHINCH-RQJHMYQMSA-N 186.284 1.984 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H](CO)C1 42415718 YTCVLEFYEDWFTK-VIFPVBQESA-N 198.270 1.391 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCO[C@@H]1CN=[N+]=[N-] 59048935 LHTZGIZZJTZRLX-SYDPRGILSA-N 184.159 1.349 10 10 ADCE CNCc1ccc(F)cc1O 82844031 YNNMFFRYNRBRII-UHFFFAOYSA-N 155.172 1.251 10 10 ADCE CN[C@H](C)c1cc(OC)cc(C)c1O 104517985 ZQMJRJYTYIZGSJ-MRVPVSSYSA-N 195.262 1.990 10 10 ADCE CC(C)[C@@H]1CCC(=O)C(=O)C1 129193614 RUSILPVRZDMUDT-SSDOTTSWSA-N 154.209 1.581 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@@H]1N 164618735 TWOCVBHEZOMAKH-WHFBIAKZSA-N 126.163 1.177 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccccc1N 166207565 NIGUGRDJCSZEDT-UHFFFAOYSA-N 176.179 1.762 10 10 ADCE CCOc1cc(O)c2c(c1)CC[C@@H]2N 238271660 PYJIOIUDMOJXFS-VIFPVBQESA-N 193.246 1.737 10 10 ADCE N[C@@H]1CCC[C@H]1c1ccc(O)c(O)c1 238595249 LYHCKAGTEYIZJA-DTWKUNHWSA-N 193.246 1.693 10 10 ADCE CN1C(=O)NC[C@H]1c1ccccc1O 257828907 IMDBSPPMJRHFNG-QMMMGPOBSA-N 192.218 1.088 10 10 ADCE Cc1cc(C(C)(C)N)c(O)c(O)c1C 258008546 HCWWNSSXLLAKQF-UHFFFAOYSA-N 195.262 1.908 10 10 ADCE Cc1nn(C)cc1[C@H](CO)N=[N+]=[N-] 1535736368 HCCBRXQGTZGEGV-ZETCQYMHSA-N 181.199 1.072 10 10 ADCE O=C(O)[C@H]1C[C@@H]1c1ccc(O)c(O)c1 1535862741 AGFGETNMOIPTAS-RQJHMYQMSA-N 194.186 1.286 10 10 ADCE CCN(CCN=[N+]=[N-])C(C)=O 1887717944 QOQDVZYJOAQUEC-UHFFFAOYSA-N 156.189 1.165 10 10 ADCE CC(C)[C@H](N)CNc1ccc(N)cc1 1888905277 MIYRKQWRLFXGIB-LLVKDONJSA-N 193.294 1.664 10 10 ADCE CC1(C)C[C@]1(N)c1c(O)cccc1O 1952305235 WMZNHSBIVYDIIO-NSHDSACASA-N 193.246 1.682 10 10 ADCE [N-]=[N+]=NCc1[nH]c(=N)ccc1Cl 1953643412 DYCJUAOXLXIZSF-UHFFFAOYSA-N 183.602 1.958 10 10 ADCE CCC=C[C@@H](CO)N=[N+]=[N-] 2055847441 IESOHMHUSPKGKR-LURJTMIESA-N 141.174 1.624 10 10 ADCE C[C@@]1(N)CCc2cc(O)c(O)cc2C1 6067344 SCGLDRJDTNNLIA-LLVKDONJSA-N 193.246 1.304 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1CCCO1 42465513 BOFUPMPFIFSBIO-VIFPVBQESA-N 198.270 1.798 10 10 ADCE Nc1ccc(O)c([C@H](N)C2CC2)c1 104581258 XTAMDWCIMOITIW-SNVBAGLBSA-N 178.235 1.384 10 10 ADCE Cc1cc(O)c(C(=O)[C@H](C)N)s1 108297988 GCGHCMQSJXGLFA-YFKPBYRVSA-N 185.248 1.292 10 10 ADCE C[C@@H](CC(N)=O)c1ccc(O)c(O)c1 143811786 BOTXCKUWUDLGKA-LURJTMIESA-N 195.218 1.077 10 10 ADCE N[C@@H]1CCC[C@@H]1c1cc(O)nc(O)c1 238585112 OHBVVWKITKAYMJ-HTQZYQBOSA-N 194.234 1.088 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H](O)c1ccccc1 238704705 BRPSUIGJORFILD-DTWKUNHWSA-N 193.206 1.391 10 10 ADCE CC(C)[C@@H](N)[C@@H](N)c1ccccc1O 306628953 DCHRFQSPTKGMIJ-MNOVXSKESA-N 194.278 1.375 10 10 ADCE CC[C@]1(C)CO[C@@H](CN=[N+]=[N-])N1 885318655 AMISGTOJJNDALN-NKWVEPMBSA-N 170.216 1.411 10 10 ADCE [N-]=[N+]=NCCCS(=O)(=O)C1CC1 1880713969 LKCYWGSOLYFVTR-UHFFFAOYSA-N 189.240 1.264 10 10 ADCE Oc1ccccc1CNC[C@@H]1C[C@@H]1F 1887445271 TYIFNJVDWYMXRD-UWVGGRQHSA-N 195.237 1.840 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)CC1CC1 1887718227 UPEOJVIUYPPPPH-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@]12CCC[C@@H]1C2 1893742753 DVWSUBAVHYGLFS-CSMHCCOUSA-N 167.212 1.848 10 10 ADCE [N-]=[N+]=N[C@H]1COCC2(CCC2)[C@@H]1O 1912186856 GYUSUYUCHGCDDO-NKWVEPMBSA-N 183.211 1.227 10 10 ADCE Cc1cnn(C)c1[C@@H](O)CN=[N+]=[N-] 1912198276 DYXGQCYWGIJENR-LURJTMIESA-N 181.199 1.072 10 10 ADCE CCC1([C@H](O)C(=O)C(C)=O)CCC1 1929196399 NTINAKGUFHRAMS-SECBINFHSA-N 184.235 1.086 10 10 ADCE CCC[C@@](O)(C(=O)C(C)=O)C1CC1 1929209215 SLOAPCAIESCPGV-JTQLQIEISA-N 184.235 1.086 10 10 ADCE Cc1cnc(N)c(CN=[N+]=[N-])c1 1953644500 TYUDWAGUAAGMLT-UHFFFAOYSA-N 163.184 1.783 10 10 ADCE CC[C@H](O)CN(CC)CCN=[N+]=[N-] 1954078969 KYXPXOYLJIPBRH-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE C=CC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209153516 YRXUUAMTVLXXOR-BQBZGAKWSA-N 180.211 1.520 10 10 ADCE C[C@@H](Sc1nccs1)C(=N)N 49832653 FAXLXIIYTIZAGI-SCSAIBSYSA-N 187.293 1.560 10 10 ADCE C[C@@H]1CN(c2ccc(N)cc2)C(=O)O1 71483211 DTUZQOGKKWIMRI-SSDOTTSWSA-N 192.218 1.614 10 10 ADCE Cc1ccc([C@H](N)CO)c(O)c1C 72197450 MMHDHXSMJNTVTJ-SECBINFHSA-N 181.235 1.001 10 10 ADCE COc1ccc(F)c([C@@H](C)N)c1O 104507876 WTCPRFSTESTCSS-RXMQYKEDSA-N 185.198 1.560 10 10 ADCE Oc1ccccc1[C@@H]1C[C@@H](F)CN1 219583385 SXEZDQFICWRUHB-APPZFPTMSA-N 181.210 1.765 10 10 ADCE C/C=C/C(=O)NCCCCN=[N+]=[N-] 231730519 DLJIOBFXFZZHET-GORDUTHDSA-N 182.227 1.769 10 10 ADCE N[C@@H]1CCCNc2cccc(O)c21 257794981 BUSJSVDMKUGDLQ-SSDOTTSWSA-N 178.235 1.598 10 10 ADCE COc1cc(O)c(CNO)cc1F 258056433 LCSGVTMODDXZPT-UHFFFAOYSA-N 187.170 1.019 10 10 ADCE COc1cc(F)cc(O)c1CNO 258093329 OAXZISBXJKOLKI-UHFFFAOYSA-N 187.170 1.019 10 10 ADCE CN(C)c1ccc(/C=C\NC=O)cc1 308259632 GWWSDFOQIDUTTK-FPLPWBNLSA-N 190.246 1.469 10 10 ADCE CC1(C)CNC[C@H](CN=[N+]=[N-])O1 1880689998 OZGYGOPBWHFFON-ZCFIWIBFSA-N 170.216 1.064 10 10 ADCE C[C@H]1C[C@@H]1CN1CC(N=[N+]=[N-])C1 1912159315 GNSSPKHPVJYPHB-NKWVEPMBSA-N 166.228 1.637 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1C[C@H](O)C2 1934049984 SLAGVMCFHUWBOQ-BRPSZJMVSA-N 196.254 1.284 10 10 ADCE COc1cccc([C@]2(C)CCN2)c1O 1952219966 XJLIBVDZZVDYSO-NSHDSACASA-N 193.246 1.609 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@@H]2C=C[C@H]1C2 1955529283 UHMFYQDVPVJMCX-SFYZADRCSA-N 192.222 1.474 10 10 ADCE C[C@@H](N)c1cc2c3c(c1)CCN3CC2 11730107 XLYBCSRENPCPHE-MRVPVSSYSA-N 188.274 1.625 10 10 ADCE NC[C@H]1CCCc2c1ccc(O)c2O 29210519 VPOYXJCSYGIZMX-SSDOTTSWSA-N 193.246 1.476 10 10 ADCE CN(c1ccc(N)cc1)[C@@H]1CCOC1 69623332 VFBJQZDHAHKRBS-LLVKDONJSA-N 192.262 1.494 10 10 ADCE CN(c1ccc(CN)cc1N)C1CC1 82636680 AJCTWFYFNSGGRW-UHFFFAOYSA-N 191.278 1.326 10 10 ADCE CNCc1ccc2c(c1)[C@H](C)CN2C 107784499 VYZRZHYKGXLVMS-SECBINFHSA-N 190.290 1.959 10 10 ADCE CCCOC(=O)[C@@H](C)N=[N+]=[N-] 108412462 HDDDBKZREQZGFQ-RXMQYKEDSA-N 157.173 1.638 10 10 ADCE CON[C@H](C)c1cc(OC)ccc1O 134238911 WSJLEYIGBBQWKB-SSDOTTSWSA-N 197.234 1.613 10 10 ADCE Oc1cccc(C[C@H]2CCCN2)c1O 205155839 DITIBVOTMBXRLN-SECBINFHSA-N 193.246 1.392 10 10 ADCE [N-]=[N+]=NCCCCNC(=O)C(F)F 231730732 IYVUUXADNRQJME-UHFFFAOYSA-N 192.169 1.458 10 10 ADCE Cc1cc(O)c2c(c1)OCC[C@@H]2N 238492700 LEDAEYVGOQWPEL-ZETCQYMHSA-N 179.219 1.483 10 10 ADCE ONCc1ccc2c(c1O)CCC2 257954136 GDYPBELYJLVQST-UHFFFAOYSA-N 179.219 1.360 10 10 ADCE Cc1cc(C[C@H](C)N)c(F)c(O)c1O 258168597 PWKMSMPEHKKFRT-LURJTMIESA-N 199.225 1.435 10 10 ADCE C[C@H]1CCN(CCCN=[N+]=[N-])[C@H]1CO 299915801 VFYQVMIOUUJEJD-IUCAKERBSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O 306653376 IXPWTCFEDBKIPY-VWDOSNQTSA-N 153.185 1.456 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@]2(CCCN2)CO1 536958412 OWBDKEQPGARRKB-YUMQZZPRSA-N 182.227 1.208 10 10 ADCE CC1=C=S=C(C)[C-]1C(=O)[C@@H](C)CN 885873064 CHZHDMIRPLVJET-LURJTMIESA-N 196.295 1.011 10 10 ADCE CC(C)(CON)c1ccc(O)c(O)c1 1535860504 JZDWZWZAQMEXFK-UHFFFAOYSA-N 197.234 1.266 10 10 ADCE CC12CC(CN=[N+]=[N-])(CO1)C2 1880500730 BBLDSCMHSYVKCX-UHFFFAOYSA-N 153.185 1.866 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1COC2CC1C2 1886076292 DBOOPTDGGPNOMN-HACHORDNSA-N 196.254 1.406 10 10 ADCE C[C@@H]1CC[C@]1(N)c1ccccc1O 1928466390 DHDHLFLORUBAOJ-LDYMZIIASA-N 177.247 1.976 10 10 ADCE CC(=O)C(=O)C(O)(C(C)C)C(C)C 1929133501 DNBRDBVCQUWTCQ-UHFFFAOYSA-N 186.251 1.188 10 10 ADCE C[C@H]1C[C@H](CN=[N+]=[N-])CN1 1934976656 AIPSEWDVRXXQII-WDSKDSINSA-N 140.190 1.295 10 10 ADCE CC(C)(C)N1C[C@H](O)[C@@H](N=[N+]=[N-])C1 1935175597 UQMKXBOJGHRYFR-BQBZGAKWSA-N 184.243 1.140 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(Cl)nn1 1951426898 WITIZWXIAJWILJ-YFKPBYRVSA-N 199.601 1.474 10 10 ADCE C[C@H]1C[C@@H](F)CN1CCN=[N+]=[N-] 1953510643 VTMOKIVSGFIUKV-NKWVEPMBSA-N 172.207 1.729 10 10 ADCE Cc1cccc(O)c1Cn1cccn1 2069941262 KWUKQBPQHKMUAN-UHFFFAOYSA-N 188.230 1.945 10 10 ADCE C[C@@H](CN=[N+]=[N-])C(=O)O 39399112 MSETUITVEZUPHK-VKHMYHEASA-N 129.119 1.017 10 10 ADCE Cc1occc1C(=O)NCCN=[N+]=[N-] 42012179 ZYDLMPVBYUGMSK-UHFFFAOYSA-N 194.194 1.628 10 10 ADCE [N-]=[N+]=NCCSc1nccc(=O)[nH]1 42416418 AEDCTLCBFPLJAP-UHFFFAOYSA-N 197.223 1.172 10 10 ADCE COc1cccc(CN=[N+]=[N-])n1 63772399 KLNNRCZAIOTZKA-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE Cc1cc(O)c(CNO)cc1C 82852660 WVBCZZNVUHGGMN-UHFFFAOYSA-N 167.208 1.488 10 10 ADCE CC[C@H]1NCCc2ccc(O)c(O)c21 83620950 BUJGHAMDWSWLCF-MRVPVSSYSA-N 193.246 1.695 10 10 ADCE CCOc1cccc(CNO)c1O 132173803 HPWPQZPBOQYYGO-UHFFFAOYSA-N 183.207 1.270 10 10 ADCE CC1=NN(c2ccc(N)cc2)CC1 212010473 XFLVBUZGIBNSMJ-UHFFFAOYSA-N 175.235 1.855 10 10 ADCE CC(=O)[C@H](C)CN=[N+]=[N-] 225790214 AIXDPTGQFMPZEA-SCSAIBSYSA-N 127.147 1.522 10 10 ADCE CC(C)OCC[C@@H](O)N=[N+]=[N-] 238194606 NZKYTAPHBAUPCI-ZCFIWIBFSA-N 159.189 1.430 10 10 ADCE Cc1ccc(C)c([C@H](N)CF)c1O 238456089 QBKJUZPRIZKDJG-MRVPVSSYSA-N 183.226 1.978 10 10 ADCE Cc1c(F)ccc(C2(N)CC2)c1O 238508003 FDTIOWKPSIUPAP-UHFFFAOYSA-N 181.210 1.788 10 10 ADCE Cc1nccn(CCCN=[N+]=[N-])c1=O 308508705 QWCGDVZUEOKFKO-UHFFFAOYSA-N 193.210 1.252 10 10 ADCE CCCN1C(=O)NC[C@H]1CN=[N+]=[N-] 721810669 CSODDIYCLMFIRK-LURJTMIESA-N 183.215 1.101 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H]1CCCS1 1535764711 BLLFVSZUXCGADU-PHDIDXHHSA-N 173.241 1.553 10 10 ADCE CC[C@H]1[C@@H](N=[N+]=[N-])CC[C@H]1O 1880237303 MFBCVHGNXSHSGG-LYFYHCNISA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NC1CN([C@@H]2C=CCC2)C1 1881528757 HWKLSAZQJYYNME-MRVPVSSYSA-N 164.212 1.700 10 10 ADCE [N-]=[N+]=NCc1ccc2nncn2c1 1882797753 QITKFVHRAYMTLY-UHFFFAOYSA-N 174.167 1.540 10 10 ADCE Oc1ccccc1CNC[C@H]1C[C@@H]1F 1887445273 TYIFNJVDWYMXRD-ZJUUUORDSA-N 195.237 1.840 10 10 ADCE CN(C)[C@]1(C)CCN(CCN=[N+]=[N-])C1 1912204086 INDYJNUAKZBEMA-SECBINFHSA-N 197.286 1.323 10 10 ADCE Cc1cccc(C[N+](=O)[O-])c1O 1951474833 HYFQUQSGYIGAEO-UHFFFAOYSA-N 167.164 1.477 10 10 ADCE [N-]=[N+]=NCCCN1CC2(CC(N)C2)C1 1957245668 ZRHLHHYTMOQCSG-UHFFFAOYSA-N 195.270 1.110 10 10 ADCE C[C@@H]1NCCN(CCCN=[N+]=[N-])[C@@H]1C 1957251153 YQOHNFJYMGWXIN-DTWKUNHWSA-N 197.286 1.369 10 10 ADCE CC1(C)C[C@@]1(N)c1ccc(O)c(O)c1 84353835 YDHRIICINZMVQJ-LLVKDONJSA-N 193.246 1.682 10 10 ADCE CC(C)(N)c1ccc(C(=O)O)cc1O 238152137 BAPHZMDLSQGXME-UHFFFAOYSA-N 195.218 1.284 10 10 ADCE CCOC(=O)[C@@H](CN=[N+]=[N-])C(C)=O 238247671 XZDMWGCEKQORLM-LURJTMIESA-N 185.183 1.065 10 10 ADCE CO[C@@H]1C=COC[C@H]1N=[N+]=[N-] 238393825 HVIFOMPPEICIQO-PHDIDXHHSA-N 155.157 1.224 10 10 ADCE NC1(c2ccc(O)c(O)c2F)CCC1 258021684 IHKDCFYKPKIULG-UHFFFAOYSA-N 197.209 1.575 10 10 ADCE C/C=C\CNCc1ccc(O)c(O)c1 384927817 CLMLJQQEMFWUAJ-IHWYPQMZSA-N 193.246 1.764 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@]1(C)CO 694640995 ATKNXBAEJNBIMK-RKDXNWHRSA-N 198.270 1.247 10 10 ADCE [N-]=[N+]=NCCOC1CC1 711715033 PACYGVVWXZXQNM-UHFFFAOYSA-N 127.147 1.476 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1CC1COC1 1885286293 JNAXGXKHXKKNTC-SECBINFHSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](O)[C@H]1C1CC1 1887032413 NCPRWOFMAWKDPA-RKDXNWHRSA-N 196.254 1.142 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H](C)N(C)C 1887712116 GQNQDUZGEGPEHP-SECBINFHSA-N 199.302 1.569 10 10 ADCE Nc1ccc(OCC2(CO)CC2)cc1 1913918061 HPMHIJDSNSOOFX-UHFFFAOYSA-N 193.246 1.420 10 10 ADCE CCCN[C@H](CO)c1ccccc1O 1929439788 VNLYTTQBNNXRSI-SNVBAGLBSA-N 195.262 1.425 10 10 ADCE CN(O)Cc1ccc([N+](=O)[O-])cc1O 1951350887 ZEULPPDBBPMYCA-UHFFFAOYSA-N 198.178 1.121 10 10 ADCE CCN(CCN)CCCCN=[N+]=[N-] 1954207447 WJFZOCSHEJDARF-UHFFFAOYSA-N 185.275 1.358 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@H]1C[C@@H]1F 1963703963 ITOSFYVSHXQSRJ-WDSKDSINSA-N 186.190 1.161 10 10 ADCE O=C1c2ccccc2C(=O)C12CC2 39406515 AESKXSMNWUJKND-UHFFFAOYSA-N 172.183 1.846 10 10 ADCE Oc1ccc(F)cc1[C@@H]1CCCN1 40442615 PIHKPXDJNMQHGB-VIFPVBQESA-N 181.210 1.956 10 10 ADCE C[C@@H](c1ccccc1O)N1CC(N)C1 83634686 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1.688 10 10 ADCE CC(C)(C)NC(=O)NCCCN=[N+]=[N-] 42013192 HRIMAAFYYHQWMC-UHFFFAOYSA-N 199.258 1.785 10 10 ADCE CC[C@H]1CC(=O)N(CCN=[N+]=[N-])C1 87232181 DUZQTFUMUZIQTL-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE COc1cc(O)c(O)c([N+](=O)[O-])c1 96395155 TXXPEPTZWGPDQU-UHFFFAOYSA-N 185.135 1.015 10 10 ADCE COC(=O)/C(=C/O)c1ccccc1 141309787 GOCBVHULKMGJSR-VQHVLOKHSA-N 178.187 1.759 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H](O)C1CCCCC1 196531696 OHRKMURBUMLCSG-IUCAKERBSA-N 199.254 1.599 10 10 ADCE CCN(CCCN(C)C)CCN=[N+]=[N-] 230729593 GBDFURIUSAARGR-UHFFFAOYSA-N 199.302 1.570 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@H]1OCC(N)=O 238547230 KXYSWKWQIPJJQI-NKWVEPMBSA-N 198.226 1.110 10 10 ADCE Oc1cc2c(cc1O)[C@H]1C=C[C@H]2O1 238701309 XRTVJJRYHXYBKM-NXEZZACHSA-N 176.171 1.780 10 10 ADCE C/C=C1\C=COC1=O 382805232 WSQRVMIUXVJCGY-GORDUTHDSA-N 110.112 1.003 10 10 ADCE CC[C@H](C[N+](=O)[O-])N=[N+]=[N-] 687750795 IHYLPSNTNPEQHO-SCSAIBSYSA-N 144.134 1.352 10 10 ADCE COC[C@@H]1C[C@H](O)[C@H](N=[N+]=[N-])C1 698781790 PQVARCCMNAYULL-XVMARJQXSA-N 171.200 1.083 10 10 ADCE Nc1ccc(NCCOCCF)cc1 702561870 UQBJVVAYXDVJKY-UHFFFAOYSA-N 198.241 1.667 10 10 ADCE CCn1cc(O)c(=O)cc1CN=[N+]=[N-] 725377449 PHTVERAASCSUHZ-UHFFFAOYSA-N 194.194 1.384 10 10 ADCE [N-]=[N+]=NCCN1CC=CCC12COC2 1901329748 IHFDNEIRMXDAIS-UHFFFAOYSA-N 194.238 1.328 10 10 ADCE COc1cc(N2CCC2)ccc1CN 1903901335 XFTQLVLVEWPWMW-UHFFFAOYSA-N 192.262 1.364 10 10 ADCE CNC(=O)N1CCC(N=[N+]=[N-])CC1 1912155033 OUGFETOCZGUGAP-UHFFFAOYSA-N 183.215 1.101 10 10 ADCE CC(=O)C(=O)[C@H](O)c1ccccc1C 1929119716 LOVPNAXBSMCCBR-LLVKDONJSA-N 192.214 1.187 10 10 ADCE NCC[C@@H]1C[C@H]1c1ccc(O)c(O)c1 1951861895 YXBURWAOCZMQKH-BDAKNGLRSA-N 193.246 1.550 10 10 ADCE OC[C@H](F)c1cccc(O)c1O 1952100571 CYSABGVXEXFSQZ-LURJTMIESA-N 172.155 1.101 10 10 ADCE CCCCNCc1ccc(O)c(O)c1 19906943 GTXNIPGYSSUXEV-UHFFFAOYSA-N 195.262 1.988 10 10 ADCE CC[C@H]1C/C(=C\O)C(=O)O1 100208698 SVVLJJMQINRCJG-OVCGOVNKSA-N 142.154 1.154 10 10 ADCE Cc1ccc(C(C)(C)O)c(O)c1O 212986654 LQQJOANZVBYYJI-UHFFFAOYSA-N 182.219 1.634 10 10 ADCE CC12C3C4C1C1C2C3C41N=[N+]=[N-] 238179450 NGOUYPRWKUFKBL-UHFFFAOYSA-N 159.192 1.807 10 10 ADCE NC(=O)N=Nc1ccc(N)cc1 333682128 REYKSJZHXFCZQQ-UHFFFAOYSA-N 164.168 1.431 10 10 ADCE COc1cnn(CCN=[N+]=[N-])c1 388429869 MVMWDGQIQJZXNK-UHFFFAOYSA-N 167.172 1.202 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]2C1 688315567 PFUDQWAZLSDLMM-OCAPTIKFSA-N 166.228 1.639 10 10 ADCE N=[N+]=CC(=O)c1ccc2nc[nH]c2c1 725394598 XRILOTPINBZSAJ-UHFFFAOYSA-O 187.182 1.056 10 10 ADCE COCC[C@@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912165875 PULKILFMIODNKC-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE C[C@]12C[C@@H]1CN(CCN=[N+]=[N-])C2 1912176916 ACQHKVAUNJXRIX-HTQZYQBOSA-N 166.228 1.639 10 10 ADCE NC(=S)CCc1ccc(O)c(O)c1 1951474545 CKMSYDIIRHFPNF-UHFFFAOYSA-N 197.259 1.317 10 10 ADCE OCCC=CCc1ccc(O)c(O)c1 1951601633 COTISNQQJFWYLZ-UHFFFAOYSA-N 194.230 1.579 10 10 ADCE C[C@@]1(c2ccc(O)cc2O)CCN1 1952213511 KGTKPYQIJRTUNB-JTQLQIEISA-N 179.219 1.306 10 10 ADCE C[C@H](CF)N(C)CCCN=[N+]=[N-] 2241730449 DQIQRQJOQWTAHD-SSDOTTSWSA-N 174.223 1.977 10 10 ADCE Nc1ccc(NCC[C@@H]2CCO2)cc1 2242559244 AIVYIFVDXDDYDD-LLVKDONJSA-N 192.262 1.860 10 10 ADCE CCc1cc(O)c(O)cc1F 33835515 UWWIJHVFOXMTLK-UHFFFAOYSA-N 156.156 1.799 10 10 ADCE CC[C@H](CN)Sc1nccs1 43542597 CRESVROBIQGXBC-ZCFIWIBFSA-N 188.321 1.973 10 10 ADCE Cc1nnc(C)n1-c1ccc(N)cc1 82588198 WRLHVXAASQDSQT-UHFFFAOYSA-N 188.234 1.466 10 10 ADCE C[C@@H]1C[C@H]1CN(C)CCN=[N+]=[N-] 82649479 NRFOCYRCDFZAGL-SFYZADRCSA-N 168.244 1.885 10 10 ADCE CC(C)(CO)[C@@H](N)c1ccccc1O 95658888 PLDBMPRVTIXPIL-JTQLQIEISA-N 195.262 1.411 10 10 ADCE Cc1cc(F)cc([C@@H](C)N)c1O 95665974 FLWCKCBZKFGQRG-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE Oc1cc2[nH]cc(S)c2cc1O 136553772 ABGXAQZOGZQYRN-UHFFFAOYSA-N 181.216 1.868 10 10 ADCE COC(=O)[C@@H](C)c1cccc(O)c1O 144428657 JULWATUNPJIRCP-LURJTMIESA-N 196.202 1.374 10 10 ADCE CC1(C)[C@@H]2C[C@@H]1CC(=O)C2=O 209171598 QEZVNLZLSDOZRT-PHDIDXHHSA-N 152.193 1.191 10 10 ADCE COc1c(C)cc(C)c(CN)c1O 212028157 QQZUDDAIPRXRCQ-UHFFFAOYSA-N 181.235 1.476 10 10 ADCE CC(C)(N)c1ccc(S)cc1O 238154366 KDGHHMLWTMMBFR-UHFFFAOYSA-N 183.276 1.875 10 10 ADCE Cc1nc(N)cn1-c1ccc(N)cc1 238551992 UPYRYVMMIDGQAB-UHFFFAOYSA-N 188.234 1.345 10 10 ADCE COc1ccc(N(C)CO)c(C)c1C 258877654 HNQFBVBGGIEFQK-UHFFFAOYSA-N 195.262 1.698 10 10 ADCE [N-]=[N+]=Cc1ccc2ccc(O)cc2n1 307005101 KCTWDESDJVXWFJ-UHFFFAOYSA-N 185.186 1.589 10 10 ADCE CN(C)c1ccc(N=NC(N)=O)cc1 308273160 GNWYUPQAANEWFB-UHFFFAOYSA-N 192.222 1.915 10 10 ADCE Cc1cn(CCN=[N+]=[N-])c(O)n1 699561782 BDHRSZNBWOWHCO-UHFFFAOYSA-N 167.172 1.207 10 10 ADCE CC[C@]1(C)COC[C@@H](CN=[N+]=[N-])O1 958692350 VTHLYUUHCPJCEG-HTQZYQBOSA-N 185.227 1.881 10 10 ADCE NC[C@H]1C[C@H](Nc2ccc(N)cc2)C1 1888914464 BUQSSXKXPFVEEN-JLIMDTESSA-N 191.278 1.418 10 10 ADCE [N-]=[N+]=NCCN1CCC2CC1(CN)C2 1889208455 AMLVJNVCBMTBPA-UHFFFAOYSA-N 195.270 1.110 10 10 ADCE C[C@H]1CCNC[C@@H]1N=[N+]=[N-] 1912155140 KARUBAIDYPPVHD-WDSKDSINSA-N 140.190 1.295 10 10 ADCE CN(CCF)Cc1cc(N)ccc1O 1916506764 SWFNAIAGCMYECM-UHFFFAOYSA-N 198.241 1.376 10 10 ADCE Cc1nnsc1[C@@H](CO)N=[N+]=[N-] 1951329519 QSCAIVCQWPZVBP-SCSAIBSYSA-N 185.212 1.190 10 10 ADCE CNC[C@H]1C[C@H]1c1ccc(O)c(O)c1 1951858092 FCRNROMGLHXOAN-BDAKNGLRSA-N 193.246 1.421 10 10 ADCE CCN(CCCN=[N+]=[N-])[C@H]1CCNC1 1957247521 RQUXDHLHUUYERB-VIFPVBQESA-N 197.286 1.371 10 10 ADCE CC[C@H](N)Cc1cc(O)c(O)cc1O 44399898 IEFKGDNDYWFIEA-ZETCQYMHSA-N 197.234 1.083 10 10 ADCE COC[C@@H](C)N=[N+]=[N-] 69902953 ARCDAGQBETZLJV-SCSAIBSYSA-N 115.136 1.332 10 10 ADCE O=C(O)c1csc(Cl)c1O 84226316 ICMZMZSDJUQNOX-UHFFFAOYSA-N 178.596 1.805 10 10 ADCE Nc1sc2c(c1O)CCSC2 84228049 JCHKLWOIPXVZLC-UHFFFAOYSA-N 187.289 1.825 10 10 ADCE CC[C@H](NC)c1ccc(O)c(O)c1 84336168 INHHLKSSTYPSAW-QMMMGPOBSA-N 181.235 1.768 10 10 ADCE Nc1ccc(CCc2c[nH]nn2)cc1 107535160 CIGCFWYWJHIAMR-UHFFFAOYSA-N 188.234 1.172 10 10 ADCE C=COCCN=[N+]=[N-] 148754239 IVZUDMQDFZZBCC-UHFFFAOYSA-N 113.120 1.457 10 10 ADCE O=C1CC[C@H]2C[C@H]2CCC1=O 197417763 ISLHCZZZIVYMJA-KNVOCYPGSA-N 152.193 1.335 10 10 ADCE C[C@]1(N=[N+]=[N-])OC(=O)c2cccnc21 197498387 YDKJRCCBRQZPCI-QMMMGPOBSA-N 190.162 1.735 10 10 ADCE C[C@]1(N)CCOc2cccc(O)c21 219531590 ZPKWQRQUYKALSH-JTQLQIEISA-N 179.219 1.349 10 10 ADCE CC[C@H](N)c1cc(N)cc(OC)c1O 238313509 BPLXBOILRXYEHB-QMMMGPOBSA-N 196.250 1.393 10 10 ADCE CO[C@@H]1OCC[C@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 238341844 IFVHXOIRWVHTTR-HCWXCVPCSA-N 198.186 1.737 10 10 ADCE Cc1ccnc2cc(O)c(O)cc12 238475617 OWKCZLSRCFLGAU-UHFFFAOYSA-N 175.187 1.954 10 10 ADCE C[C@@H]1C(=O)C(=O)[C@]2(C)CC=CC[C@@H]12 238515360 WCDMRFWBCYQRHE-DKCNOQQISA-N 178.231 1.747 10 10 ADCE O=[N+]([O-])c1ccc([C@@H]2CCN2)c(O)c1 238704593 REKAZZDXROQEGX-QMMMGPOBSA-N 194.190 1.335 10 10 ADCE Cc1cc(CCON)c(O)c(O)c1C 258138560 SEBGBGYXRCFWKO-UHFFFAOYSA-N 197.234 1.147 10 10 ADCE ONCc1ccc2c(c1O)CCCC2 258138593 SESPNZOHJNALAF-UHFFFAOYSA-N 193.246 1.750 10 10 ADCE CO[C@H](CN=[N+]=[N-])C(C)C 306727835 BCPQOWVRVKJVHR-ZCFIWIBFSA-N 143.190 1.968 10 10 ADCE C[C@H]1OC(=O)N[C@@H]1c1ccccc1O 306796471 JLROTEYXFLEWLY-MUWHJKNJSA-N 193.202 1.562 10 10 ADCE Oc1ccc(CNCCF)c(O)c1 379364033 HHTRDJWIYHSQGO-UHFFFAOYSA-N 185.198 1.157 10 10 ADCE O=C1O[C@@H]2CCC[C@H]2/C1=C\O 395049549 BGHPRYXKAVLNSZ-LGKUNXSESA-N 154.165 1.154 10 10 ADCE NCC1(CNc2ccc(N)cc2)CC1 841041268 ZKMOCQFDRNDSEN-UHFFFAOYSA-N 191.278 1.420 10 10 ADCE COC(=O)NCc1cccc(C)c1O 1193934290 WVQSOBIXBHLNOP-UHFFFAOYSA-N 195.218 1.557 10 10 ADCE CC(C)(CO)CCN=[N+]=[N-] 1535842049 VFSQZOGWKHTZNC-UHFFFAOYSA-N 143.190 1.705 10 10 ADCE [N-]=[N+]=NCCN1O[C@H]2C=C[C@H]1CC2 1883759713 QQVPUQMHIJOPQM-YUMQZZPRSA-N 180.211 1.631 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@H]2CCOC2)C1 1888590344 PNHQWKOQJWHRCS-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE CN(CCN=[N+]=[N-])Cc1cnsc1 1912194785 MKRGOTGAXJBCHX-UHFFFAOYSA-N 197.267 1.885 10 10 ADCE CC[C@H]1C[C@@]1(N)c1ccc(O)c(O)c1 1951737478 VLAIDLSROUHZIC-CPCISQLKSA-N 193.246 1.682 10 10 ADCE COC[C@]1(C)C[C@H]1CN=[N+]=[N-] 2241616204 RHPSHTXXNRHANV-BQBZGAKWSA-N 155.201 1.969 10 10 ADCE [N-]=[N+]=NCCn1cc(Cl)cn1 42416138 WOUUTWSADMUTIR-UHFFFAOYSA-N 171.591 1.847 10 10 ADCE Cc1ccc(O)c(CN(C)O)c1 82852673 GYRKEDLHDPJTBK-UHFFFAOYSA-N 167.208 1.522 10 10 ADCE O=C(O)c1sc2ncccc2c1O 84228188 YVYQYTWFDUOYPC-UHFFFAOYSA-N 195.199 1.700 10 10 ADCE C[C@@H]1COC[C@H](c2ccccc2O)N1 108302908 VLQZTKKHVZBEBS-PSASIEDQSA-N 193.246 1.442 10 10 ADCE C/C=C/C(=O)NCc1ccc(N)cc1 135438577 BDEIQXFCSSCFAL-NSCUHMNNSA-N 190.246 1.461 10 10 ADCE [N-]=[N+]=N[C@H]1C=COCC1 135749141 QWTOSOOKLSZCAV-YFKPBYRVSA-N 125.131 1.599 10 10 ADCE CC[C@H](N)c1cccc(C(=O)O)c1O 211625431 XJIPZZDFWZPQLX-QMMMGPOBSA-N 195.218 1.500 10 10 ADCE C[C@H](CC(=O)N1CCCC1=O)N=[N+]=[N-] 215471365 YGYWRTSBZTUZTC-ZCFIWIBFSA-N 196.210 1.224 10 10 ADCE Cc1cn(C)c2ccc(CN)c(O)c12 215597786 QFPDQRDRASMNGY-UHFFFAOYSA-N 190.246 1.651 10 10 ADCE CCc1ccc2c(c1O)[C@@H](N)CC2 238288443 GQOJJXFBJCXKHQ-VIFPVBQESA-N 177.247 1.901 10 10 ADCE Cc1coc2cc(O)c(O)cc2c1=O 238496921 UKNASJBIRJZGPQ-UHFFFAOYSA-N 192.170 1.513 10 10 ADCE Oc1cc2[nH]c(Cl)nc2c(O)n1 238723944 KXAUHPZCKPHWCL-UHFFFAOYSA-N 185.570 1.023 10 10 ADCE Oc1ccccc1[C@H]1CCON1 258548046 PCQHXPXNXIZYKR-MRVPVSSYSA-N 165.192 1.358 10 10 ADCE Cc1cc2c(cc1N=N)=NC(=O)N=2 334139131 KXHNKPGTMXPSHW-UHFFFAOYSA-N 174.163 1.030 10 10 ADCE Nc1ccc(CCNCCF)cc1 388716128 QUOPUUBHNMSSDF-UHFFFAOYSA-N 182.242 1.370 10 10 ADCE C[C@@H](N=[N+]=[N-])[C@@H]1CCCN1 575454160 GBSIESGDUGYVKW-RITPCOANSA-N 140.190 1.437 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCC[C@H]1O 708217799 XBXRUMDYGXTELM-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE CC[C@H](N)[C@@H](N=[N+]=[N-])C(F)(F)F 714526838 QPZIXJZIRZNWMY-IUYQGCFVSA-N 182.149 1.965 10 10 ADCE CC[C@@H]1N[C@H](CN=[N+]=[N-])O[C@@H]1C 885319230 QBQOVAQDNRZCPB-VQVTYTSYSA-N 170.216 1.410 10 10 ADCE C[C@@H]1CO[C@H](c2ccc(O)c(O)c2)N1 953005302 MFFUJGWJHPJAMF-LHLIQPBNSA-N 195.218 1.105 10 10 ADCE CC(=O)CCc1cccc(O)c1O 1535734705 NVSOYOYAQWVGSA-UHFFFAOYSA-N 180.203 1.619 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc([N+](=O)[O-])o1 1535882350 VQQQFJAGNUHGDE-SCSAIBSYSA-N 198.138 1.532 10 10 ADCE CC[C@@H](C)[C@H](NN)c1ccccc1O 1928480007 CCOFRGSPRGPCGS-KCJUWKMLSA-N 194.278 1.943 10 10 ADCE COc1cncc(CN=[N+]=[N-])n1 1951382354 GAXOMGCPOFWNFB-UHFFFAOYSA-N 165.156 1.296 10 10 ADCE COc1ccc(O)c([C@]2(N)C[C@@H]2C)c1 1951734381 MSNUFEDSPQIYKS-CPCISQLKSA-N 193.246 1.595 10 10 ADCE Oc1ccc([C@H]2C[C@H](F)CN2)c(O)c1 1952879525 VZRAILAZOFTQNG-IMTBSYHQSA-N 197.209 1.470 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@@H]1[C@@H]1C[C@H]21 1955369111 APEYEGCKSAEIPC-FKSUSPILSA-N 192.222 1.164 10 10 ADCE CCC1(CN(C)CCN=[N+]=[N-])COC1 2241908387 WJDPAWWSRZKUBZ-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H](C2)[C@@H]1CO 2297087821 QIWVNBZNPPGIHU-VGMNWLOBSA-N 196.254 1.142 10 10 ADCE CCN(C(=O)OC)c1ccc(N)cc1 63114524 WLPJLHDULVSZIJ-UHFFFAOYSA-N 194.234 1.862 10 10 ADCE CCC(=O)C(=O)c1ccco1 95618315 IWMXBRWYPMCNQM-UHFFFAOYSA-N 152.149 1.441 10 10 ADCE endogenous,in-man CC[C@H](N)c1cc(F)cc(N)c1O 95706961 XKDKNHNCWWRCNZ-ZETCQYMHSA-N 184.214 1.523 10 10 ADCE Cc1cc(C=O)c(O)c([C@@H]2CCN2)c1 104152535 ZLMBPKOBNGCFCU-JTQLQIEISA-N 191.230 1.548 10 10 ADCE N[C@@H](c1cccc(CO)c1O)C1CC1 104454931 AFGGKUJPMYWIGR-SNVBAGLBSA-N 193.246 1.294 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@H]1N 164618853 TWOCVBHEZOMAKH-UHNVWZDZSA-N 126.163 1.177 10 10 ADCE COC(=O)[C@H]1CCC[C@@H]1N=[N+]=[N-] 200181276 KKROTWHRMAKDNY-WDSKDSINSA-N 169.184 1.638 10 10 ADCE CS[C@H](CO)CN=[N+]=[N-] 238393723 ZQSMEZSSDJTDPG-BYPYZUCNSA-N 147.203 1.021 10 10 ADCE Cc1cccc(O)c1[C@H](N)[C@H](C)O 238459802 JKHQDFUGAYXYRT-OIBJUYFYSA-N 181.235 1.081 10 10 ADCE O=C1CC[C@H](c2cccc(F)c2O)N1 238724029 OCBQLKLQQYJZQG-MRVPVSSYSA-N 195.193 1.482 10 10 ADCE CC(=O)C/N=N/c1nccs1 306706731 QNAMMWBWYWNIDF-CMDGGOBGSA-N 169.209 1.816 10 10 ADCE N[C@@H](CF)c1c(O)cc(F)cc1F 306901396 ODYKQBGBIMZWNY-LURJTMIESA-N 191.152 1.640 10 10 ADCE C[C@@H](NCCF)c1c(O)cccc1O 308519107 GVVCPTMJGCNCLV-SSDOTTSWSA-N 199.225 1.718 10 10 ADCE Nc1ccc(NC[C@H]2C[C@@H](O)C2)cc1 720963228 RUERRXWLGDRXRB-DKTWLAJQSA-N 192.262 1.452 10 10 ADCE C[C@@H]1[C@@H](O)CCC[C@H]1N=[N+]=[N-] 1880183546 RIJWENSEWAFYRW-XVMARJQXSA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NCCCN1CCSC1=O 1881026568 PAJUBOWXSSJJMY-UHFFFAOYSA-N 186.240 1.856 10 10 ADCE CCC1=CCC[C@@]1(O)C(=O)C(C)=O 1882173307 XEBJJJUDXOIGBP-JTQLQIEISA-N 182.219 1.006 10 10 ADCE CC(C)(F)C(=O)N1CC(N=[N+]=[N-])C1 1912196474 LLYIXORVAQTDRO-UHFFFAOYSA-N 186.190 1.256 10 10 ADCE C[C@H]1COC[C@]1(N)c1ccccc1O 1928467516 LHIPBXIMZGYJMF-GZMMTYOYSA-N 193.246 1.213 10 10 ADCE Nc1ccc(NCC2COC2)cc1 1933412561 FUMDFBZIULCLIQ-UHFFFAOYSA-N 178.235 1.327 10 10 ADCE [N-]=[N+]=NCCN1CC2(CC2)C[C@@H]1CO 1934333945 PHZVHGJRZLXLFB-MRVPVSSYSA-N 196.254 1.144 10 10 ADCE Cc1ccnc(O)c1[C@@H](CO)N=[N+]=[N-] 1951718210 WKVIHHLZUKJZNP-ZCFIWIBFSA-N 194.194 1.439 10 10 ADCE COC[C@@]12C[C@H]1CN(CCN=[N+]=[N-])C2 1956312965 XFNBARZNZZPANP-IUCAKERBSA-N 196.254 1.265 10 10 ADCE CCOc1cc(O)c(O)c(O)c1 2054988808 HEQLDCXOKMUADJ-UHFFFAOYSA-N 170.164 1.202 10 10 ADCE OCc1sc(C(F)F)cc1O 2080413982 QCBZWHATOORVMF-UHFFFAOYSA-N 180.175 1.884 10 10 ADCE [N-]=[N+]=NC[C@@H]1NCC[C@@H]1C1CC1 2080990025 QAHYGOPEAAPBFY-SFYZADRCSA-N 166.228 1.685 10 10 ADCE COC(=O)CCCCC(=O)CN=[N+]=[N-] 2209543480 PQGOWRVPHBNWIF-UHFFFAOYSA-N 199.210 1.599 10 10 ADCE Cc1oncc1C(=O)NCCN=[N+]=[N-] 42012191 NOCWAJNUQJSCPT-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE CC1(C)CNCc2cc(O)c(O)cc21 71485104 BXUAVJGYDLCQLN-UHFFFAOYSA-N 193.246 1.479 10 10 ADCE CCOC(=S)CN=[N+]=[N-] 215131633 KPZDGSKZPBWKCT-UHFFFAOYSA-N 145.187 1.661 10 10 ADCE N[C@H](c1c(O)cccc1CO)C1CC1 238568851 VDBPLLCTSWDBJJ-NSHDSACASA-N 193.246 1.294 10 10 ADCE NC1(c2ccccc2O)CC(F)(F)C1 257839395 JMHPUSZMWGOIBQ-UHFFFAOYSA-N 199.200 1.975 10 10 ADCE O=C1NC(=S)S/C1=C\Cl 383550119 QNOXQNPMQYGNJX-UPHRSURJSA-N 179.653 1.215 10 10 ADCE C[C@H]1C[C@H](O)CN(CCCN=[N+]=[N-])C1 401699220 MDKJHRYRGJBQAF-IUCAKERBSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NCCN1CCOCC12CCC2 707224787 OLWNBTNQJWVFLD-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE N[C@H]1CC(=O)c2c(F)c(F)cc(O)c21 713764184 SQAHNIXTNPRTRW-BYPYZUCNSA-N 199.156 1.257 10 10 ADCE CO[C@@H]1CN[C@H]2CC[C@H](N=[N+]=[N-])[C@H]1C2 721331049 INZUGVROZVXQJL-UYXSQOIJSA-N 196.254 1.452 10 10 ADCE OCC1(c2cccc(O)c2O)CCC1 1535736763 OTEKRGZYCSTOJA-UHFFFAOYSA-N 194.230 1.512 10 10 ADCE CCN(CCN=[N+]=[N-])Cc1ccon1 1887717470 KXDFZGDPGCMKFA-UHFFFAOYSA-N 195.226 1.807 10 10 ADCE CCC[C@H](CN)Nc1ccccc1N 1888905201 LJSHTYOAGQGCAW-SECBINFHSA-N 193.294 1.808 10 10 ADCE C[C@@H]1[C@H](N)CCN1c1ccc(N)cc1 1888921002 DKWWPFAEYRADSX-LDYMZIIASA-N 191.278 1.195 10 10 ADCE CC(C)[C@H]1C[C@@H](O)CN1CCN=[N+]=[N-] 1892801054 KNCRHUOJHSBJSK-RKDXNWHRSA-N 198.270 1.388 10 10 ADCE Cc1ccc(CNC2COC2)c(O)c1 1904107344 BJXDDWWPPXTGSW-UHFFFAOYSA-N 193.246 1.189 10 10 ADCE C[C@H]1C[C@@H](N)CN1CCCN=[N+]=[N-] 1954208647 QJRGZDYCJWHCFZ-JGVFFNPUSA-N 183.259 1.108 10 10 ADCE O=Cc1sc2cc[nH]c2c1O 1601579 ZBYZIDDXMCULNW-UHFFFAOYSA-N 167.189 1.748 10 10 ADCE C/C=C/CCC(=O)C(C)=O 90373338 LYCOFTODHCHHEM-ONEGZZNKSA-N 140.182 1.501 10 10 ADCE C=C=C(CN)Cc1cccc(O)c1O 139117242 PYIYTFSKBRNIEL-UHFFFAOYSA-N 191.230 1.310 10 10 ADCE [N-]=[N+]=N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2N=[N+]=[N-] 196349713 VWLQAMUFRAITOR-ZXXMMSQZSA-N 196.170 1.142 10 10 ADCE CCc1cc(O)c(O)c(F)c1 211989056 MGUHWQJTIADRJE-UHFFFAOYSA-N 156.156 1.799 10 10 ADCE CC(C)(N)c1cccc(CO)c1O 238155006 LLPFXOBFWRMKLJ-UHFFFAOYSA-N 181.235 1.078 10 10 ADCE Cc1cc(O)c(O)c(Cl)c1CO 258100894 OTHBXNUTUXGXJW-UHFFFAOYSA-N 188.610 1.552 10 10 ADCE CONCc1cc(F)cc(F)c1O 258214289 ZSDADCDHGRYUMI-UHFFFAOYSA-N 189.161 1.321 10 10 ADCE CN(C)N=Nc1cc(C#N)cc(C#N)c1 263609402 VAPRWCSWLYNLDR-UHFFFAOYSA-N 199.217 1.990 10 10 ADCE C[C@@]1(O)CCC[C@@]1(C)N=[N+]=[N-] 307146931 OCEHOMXEYLHWMC-RNFRBKRXSA-N 155.201 1.990 10 10 ADCE CC[C@](C)(N)c1cc(C)cc(N)c1O 307686584 DCXRYNBJENVADI-NSHDSACASA-N 194.278 1.867 10 10 ADCE C[C@H]1CCOC(=O)/C1=C/O 396139058 RHHCKMSPNPQRBZ-WHEKYOLUSA-N 142.154 1.011 10 10 ADCE CCCCC[C@@H](O)C(=O)C(C)=O 1929135149 SVDKOQSEHNAZJP-MRVPVSSYSA-N 172.224 1.086 10 10 ADCE Cc1cnc(S[C@@H](C)CO)s1 1930677054 XOWBQHVAIRWEPR-LURJTMIESA-N 189.305 1.924 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN(C=O)CC1 1934381104 NWCRYHHDJJYYSB-SSDOTTSWSA-N 168.200 1.308 10 10 ADCE COc1ccc(O)c([C@]2(C)CCN2)c1 1952212060 DUWDRFPRCTXHLJ-NSHDSACASA-N 193.246 1.609 10 10 ADCE C[P@]1(=O)C[C@@H](O)[C@H](N=[N+]=[N-])C1 1953331940 AJGACWFULZRRKB-RDSNPXOSSA-N 175.128 1.033 10 10 ADCE CC[C@H]1CC(=O)N(CCN=[N+]=[N-])[C@H]1C 1956895135 XHTAKUVQYPLNNZ-YUMQZZPRSA-N 196.254 1.944 10 10 ADCE C[C@H]1CC[C@H](N=[N+]=[N-])CN1 2241270630 RJZKUPCYXXINKS-WDSKDSINSA-N 140.190 1.437 10 10 ADCE CNC[C@@H](C)c1ccc(O)c(O)c1 56870891 GADNXORTHJZMLX-SSDOTTSWSA-N 181.235 1.421 10 10 ADCE Cn1ccc(-c2ccc(CN)n2C)c1 74275620 DMPFFCKKMHYMRX-UHFFFAOYSA-N 189.262 1.489 10 10 ADCE Nc1ccc(CNc2ccon2)cc1 83341432 CPNBWDFEVJAYHC-UHFFFAOYSA-N 189.218 1.869 10 10 ADCE O=C1CCN[C@@H](c2ccccc2O)C1 209456862 KIRUJPAGLLIWIT-SNVBAGLBSA-N 191.230 1.386 10 10 ADCE COC(=O)[C@H]1C=C[C@H](N=[N+]=[N-])C1 213557733 FQONXKMKJKEHQD-WDSKDSINSA-N 167.168 1.414 10 10 ADCE CC[C@@H](N)c1ccc(O)c(C)c1O 238280712 LVDYTSIFFOIHDT-MRVPVSSYSA-N 181.235 1.816 10 10 ADCE Nc1ccc(O)c2c1CCC[C@H]2N 238601763 GBVJXYXOJHMVMT-MRVPVSSYSA-N 178.235 1.311 10 10 ADCE Nc1c(Cl)cc2c(c1O)[C@@H](N)CC2 238625725 LSPYBARPHRGTTL-LURJTMIESA-N 198.653 1.574 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CC[C@@H]2O[C@H]21 307343527 LRWZXCJBWWNMLU-SRQIZXRXSA-N 137.142 1.393 10 10 ADCE CN1[C@H]2CC[C@H]1CN(CCN=[N+]=[N-])C2 723716300 HKILMADOZZIUBF-IUCAKERBSA-N 195.270 1.075 10 10 ADCE CNC(C)(C)c1cc(O)ccc1O 1535733934 FCFNQPZMRIPORS-UHFFFAOYSA-N 181.235 1.552 10 10 ADCE [N-]=[N+]=NC[C@@H](O)CC1CC1 1880132992 KYMXCKNYQBFEGF-LURJTMIESA-N 141.174 1.458 10 10 ADCE CC[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1CO 1905247006 KWMDHVQHHLBTHG-RKDXNWHRSA-N 198.270 1.247 10 10 ADCE COC[C@@](C)(N)c1ccc(F)cc1O 1951668106 URIIETVGUMNUHC-SNVBAGLBSA-N 199.225 1.352 10 10 ADCE O=C1CC[C@H](c2ccc(O)c(O)c2)O1 1951853795 IJKOGORHUIDAEI-SECBINFHSA-N 194.186 1.476 10 10 ADCE CN1CCc2cc(C=CCN)ccc21 2042433603 NOGDDXRRYNZWAZ-UHFFFAOYSA-N 188.274 1.651 10 10 ADCE O=C1N[C@H](c2cccc(F)c2O)CO1 95686201 BNEVBPKGUITQJK-ZETCQYMHSA-N 197.165 1.312 10 10 ADCE CN(C)Cc1cc(F)cc(O)c1O 213183843 NKLLSYLACFCVGZ-UHFFFAOYSA-N 185.198 1.299 10 10 ADCE [N-]=[N+]=NCOCN=[N+]=[N-] 216188091 CVCCTJFOPYQRJG-UHFFFAOYSA-N 128.095 1.539 10 10 ADCE C[C@H]1C[C@]1(N=[N+]=[N-])C(=O)O 238456655 BZQUNYSPSBSBDC-WVZVXSGGSA-N 141.130 1.160 10 10 ADCE [N-]=[N+]=NCCOC[C@H]1CCCCO1 238590679 NRCOFVWAFCBQMP-MRVPVSSYSA-N 185.227 1.882 10 10 ADCE Nc1cc(N)c2c(O)csc2c1 306679694 IAXZUAQKKDHDQX-UHFFFAOYSA-N 180.232 1.771 10 10 ADCE CC(C)(C)N=NC(C)(C)C(=N)NO 383548690 MHXLJYDQYGUGOY-UHFFFAOYSA-N 186.259 1.972 10 10 ADCE [N-]=[N+]=NCCCNC(=O)CCC1CC1 400764716 JTQHDUBSHWIOGZ-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE CN(c1ccc(N)cc1)[C@H]1CC[C@@H]1O 702087232 QXVZMGNHTOEVAU-QWRGUYRKSA-N 192.262 1.228 10 10 ADCE C[C@H]1C[C@@]1(C)C(=O)NCCN=[N+]=[N-] 704353571 BCGYWBIVWBKLIU-POYBYMJQSA-N 182.227 1.459 10 10 ADCE CCn1nnnc1SCCN=[N+]=[N-] 706553134 ZDNJUEUBFYQQJC-UHFFFAOYSA-N 199.243 1.095 10 10 ADCE C[C@H]1COC[C@@H]1N(C)CCCN=[N+]=[N-] 710951147 FTLXCJLEMVIMBT-IUCAKERBSA-N 198.270 1.654 10 10 ADCE CCN(CCCCN=[N+]=[N-])C1COC1 1912183517 QFGNPVBGRMPTIW-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE COC[C@@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912205585 PODIXDXLPCAKSP-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](O)CC12CCC2 1934430427 LJNHDHSVWUIZCP-MRVPVSSYSA-N 196.254 1.286 10 10 ADCE C[C@H]1C[C@@]1(N)c1ccc(O)cc1O 1951727498 FRVHIMGGKNELMD-WKEGUHRASA-N 179.219 1.292 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC2(CCNCC2)O1 1956052592 COBZHVXILQFMJH-MRVPVSSYSA-N 196.254 1.598 10 10 ADCE CN[C@H](C)c1ccc(C)cc1O 20083849 WMBXEFACWVMHKN-MRVPVSSYSA-N 165.236 1.981 10 10 ADCE CNCc1cc(C)ccc1O 45793168 UTIAPQQYLHNDGD-UHFFFAOYSA-N 151.209 1.420 10 10 ADCE C[C@@H](N)c1ccc(N(C)C)cc1O 86569691 RSVJMGOZSIHYJO-SSDOTTSWSA-N 180.251 1.478 10 10 ADCE C[C@@H](O)CCCOc1ccc(N)cc1 90769097 YANOLXYXLXNCFB-SECBINFHSA-N 195.262 1.809 10 10 ADCE C[C@@H]1OCC[C@H]1Nc1ccc(N)cc1 149219002 YIWZJZOVBCZPOY-GZMMTYOYSA-N 192.262 1.858 10 10 ADCE C[C@@H](CO)SCCN=[N+]=[N-] 162689177 JBTPCVFUEHKFKM-YFKPBYRVSA-N 161.230 1.411 10 10 ADCE CC1(F)CN(c2ccc(N)cc2)C1 224828337 MXXUDTLINKHJAQ-UHFFFAOYSA-N 180.226 1.817 10 10 ADCE [N-]=[N+]=NCc1cnc(Cl)cn1 231292088 YZWBUFKUEVJVOA-UHFFFAOYSA-N 169.575 1.940 10 10 ADCE CC(C)(C)[C@@H]1CCCC(=O)C1=O 238152508 BWYVGXOYJKVYBM-SSDOTTSWSA-N 168.236 1.971 10 10 ADCE COc1ccc(N(C)C)cc1CON 257943666 ADXKSBFWYCMCIY-UHFFFAOYSA-N 196.250 1.152 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H](C(N)=O)C[C@H]1N=[N+]=[N-] 307026998 ZCTMWTOELWRVRT-ZGQXEFDQSA-N 195.186 1.240 10 10 ADCE CNN[C@@H](C)c1ccccc1O 704702210 PNLMOVMGAXNKOK-ZETCQYMHSA-N 166.224 1.177 10 10 ADCE CCC[C@@H]1CN(CCN=[N+]=[N-])CCO1 708877945 FVPWCNNLYMXRKK-SECBINFHSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@@H]1C[C@H]2CC[C@H]1O2 1535713317 IVUPDVDMQUGTGA-ULAWRXDQSA-N 183.211 1.225 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@H]2CCNC[C@@H]21 1912182710 FUAGMZGHZGRURB-LYFYHCNISA-N 152.201 1.152 10 10 ADCE COCCN1CCC(N=[N+]=[N-])CC1 1912193560 PCKDBEUQMGLAEN-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC[C@H](C)[C@@H](NN)c1ccccc1O 1928480006 CCOFRGSPRGPCGS-GZMMTYOYSA-N 194.278 1.943 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]1[C@@H]1C[C@H]21 1954431706 BEZAVBXSEDIEQV-KDXUFGMBSA-N 178.239 1.637 10 10 ADCE CN(C)[C@@H]1Cc2ccc(O)c(O)c2C1 29228005 OTPYIUAXLHFTIM-MRVPVSSYSA-N 193.246 1.127 10 10 ADCE C[C@H](c1ccccc1O)N(C)C=O 38089759 ZSGUBPUXMMCGSM-MRVPVSSYSA-N 179.219 1.541 10 10 ADCE CCc1ccc(O)c([C@H](N)C(=O)O)c1 72191111 IJQVASHXOIBHLY-VIFPVBQESA-N 195.218 1.039 10 10 ADCE OCc1cccc([C@H]2CCCN2)c1O 72201649 OZSCGICDTUZFGY-SNVBAGLBSA-N 193.246 1.309 10 10 ADCE Cc1cccc(CNC[C@H](C)O)c1O 83342292 QSZZKEZYJNGYIW-VIFPVBQESA-N 195.262 1.171 10 10 ADCE [N-]=[N+]=N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2N=[N+]=[N-] 196349696 VWLQAMUFRAITOR-KAZBKCHUSA-N 196.170 1.142 10 10 ADCE Cc1cc2c(O)c(O)ccc2[nH]1 212147017 NIVQPHPOEQFEOO-UHFFFAOYSA-N 163.176 1.888 10 10 ADCE NC1(c2ccc3ocnc3c2O)CC1 214591155 OXLWDYZCFGKJLG-UHFFFAOYSA-N 190.202 1.481 10 10 ADCE C[C@@H]1CCNCc2c(O)cccc21 219502721 ALEOWAOJQCZRBI-MRVPVSSYSA-N 177.247 1.989 10 10 ADCE COc1cc(F)cc(O)c1[C@@H](C)N 258093595 OFWYNJAOBSVHQA-RXMQYKEDSA-N 185.198 1.560 10 10 ADCE NC(=O)/N=N/c1ccc(N)cc1 306178303 REYKSJZHXFCZQQ-ZHACJKMWSA-N 164.168 1.431 10 10 ADCE CC(=O)O[C@@H]1C[C@H]2C=C[C@H]1[C@H]2N=[N+]=[N-] 307264344 BSOSJIYUAKFSCG-BGZDPUMWSA-N 193.206 1.803 10 10 ADCE Cc1cc(O)c(O)c([N+](=O)[O-])c1C 687752199 GVULSKSIMQZQHX-UHFFFAOYSA-N 183.163 1.623 10 10 ADCE [N-]=[N+]=NC(CO)(N=[N+]=[N-])N=[N+]=[N-] 687757111 GUOBZDNOFOFGHO-UHFFFAOYSA-N 169.108 1.563 10 10 ADCE Cc1ccc([C@H](CO)N=[N+]=[N-])o1 1535853607 BQOMNRDTIGVUIZ-LURJTMIESA-N 167.168 1.932 10 10 ADCE C[C@H](O)[C@@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 1885284401 AUBPYAVMBIPTGC-HRDYMLBCSA-N 198.270 1.530 10 10 ADCE CN[C@@H](COC)c1ccc(C)cc1O 1951859392 ZKKLLVYNYIWSNI-JTQLQIEISA-N 195.262 1.608 10 10 ADCE Nc1ccc(CNc2ncc[nH]2)cc1 1955843321 ZRLGXHQKOFFPEQ-UHFFFAOYSA-N 188.234 1.604 10 10 ADCE CNC1([C@H](N)c2ccccc2O)CC1 1956189800 QXVUVMPRSQDLHV-SNVBAGLBSA-N 192.262 1.144 10 10 ADCE CC[C@@H](N)c1cc(N)c(F)cc1O 104512410 RVBYBUZBDHKBOA-SSDOTTSWSA-N 184.214 1.523 10 10 ADCE [N-]=[N+]=C1CCc2ccccc2C1=O 165792249 BDZGAPNZRQNDAK-UHFFFAOYSA-N 172.187 1.486 10 10 ADCE Cc1cc(O)c(CN)cc1F 211958103 GCJZLZQHVXTGPC-UHFFFAOYSA-N 155.172 1.298 10 10 ADCE CCOC(=O)/C=C\[C@H](C)N=[N+]=[N-] 216527680 RQWXPSVYBORQAK-XSIKTDMUSA-N 169.184 1.805 10 10 ADCE N[C@H](c1ccccc1O)[C@H]1CCOC1 257901545 YVQUDKCUMMVZPW-KWQFWETISA-N 193.246 1.429 10 10 ADCE Cc1c(CNO)cc(O)c(O)c1C 258059255 LGAFHCGDFDXBTB-UHFFFAOYSA-N 183.207 1.193 10 10 ADCE Cc1cc([C@H](C)C(=O)O)cc(O)c1O 258093554 OEVPDUXXBLEASZ-LURJTMIESA-N 196.202 1.594 10 10 ADCE CCn1ccnc1C1=C(C)CCNC1 306197588 NQHNWYBUXAORCC-UHFFFAOYSA-N 191.278 1.670 10 10 ADCE Cc1cn(CCN=[N+]=[N-])ccc1=O 306475844 IAWXDTUFQXATAX-UHFFFAOYSA-N 178.195 1.467 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H]2OC(=O)C[C@H]12 307393198 BGRMTYLXJVFKTM-HSUXUTPPSA-N 165.152 1.167 10 10 ADCE CO[C@H]1CC[C@@H](C)N(CCN=[N+]=[N-])C1 687203064 CMOAWABZNRJXQP-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CN1CCCC[C@H]1[C@@H](CO)N=[N+]=[N-] 1535778508 KLSYAYTZRHMLTE-SFYZADRCSA-N 184.243 1.142 10 10 ADCE CN1CCc2cc([C@@H]3CCN3)ccc21 1535881773 DDACPPGHOSALRF-NSHDSACASA-N 188.274 1.713 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCC=C1C 1881884751 ONZLQZKONDTJSL-SNVBAGLBSA-N 182.219 1.006 10 10 ADCE CCCN(C)C1CN(CCN=[N+]=[N-])C1 1889304131 HYUGPYSKXZPVLO-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE Nc1ccc(O[C@@H]2C=CCNC2)cc1 1896335666 XSDUUPZAJOYAAF-LLVKDONJSA-N 190.246 1.176 10 10 ADCE CO[C@H]1CCN(CCCCN=[N+]=[N-])C1 1912161011 DJMDJFGFCAWKQG-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@@]1(O)CCC[C@@H]1N1CC(N=[N+]=[N-])C1 1912191292 PUFCDMWCCXSYFE-DTWKUNHWSA-N 196.254 1.284 10 10 ADCE CN[C@H](CF)c1ccc(OC)cc1O 1952549050 CIMGIBYBEBZGTA-SECBINFHSA-N 199.225 1.631 10 10 ADCE Cc1cc(O)c(O)cc1C 3200918 VKQJFKLRXDLRNP-UHFFFAOYSA-N 138.166 1.715 10 10 ADCE CC(=O)O[C@H]1[C@H](C)OC=C[C@H]1N=[N+]=[N-] 34408552 QBTMAHFTNMULDZ-ARDNSNSESA-N 197.194 1.529 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@@H]1OCC(=O)O 34611340 GXSZDACGCYZNDB-BQBZGAKWSA-N 199.210 1.709 10 10 ADCE CCOC1CC(N=[N+]=[N-])C1 238255863 XHOPWGYQRGOHDJ-UHFFFAOYSA-N 141.174 1.864 10 10 ADCE Nc1c(F)cc2c(c1O)[C@H](N)CCC2 238604871 WTAOVQQAIZRJRG-SSDOTTSWSA-N 196.225 1.450 10 10 ADCE N[C@@H]1CCc2cc(Cl)cc(O)c21 238637274 NFBRKFJDYVOKNS-SSDOTTSWSA-N 183.638 1.992 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1S(=O)(=O)O 238716037 UYTZOLDCTANPHH-UHNVWZDZSA-N 191.212 1.106 10 10 ADCE C[C@H]1CN[C@H](c2ccccc2O)O1 258614178 QYWSTPXMUJODKZ-XVKPBYJWSA-N 179.219 1.399 10 10 ADCE C[C@H]1OC(=O)N[C@H]1c1ccccc1O 306796466 JLROTEYXFLEWLY-HZGVNTEJSA-N 193.202 1.562 10 10 ADCE CC[C@@](C)(N)c1c(O)cc(C)cc1O 307343613 JCGRKJLUWCVOCQ-LLVKDONJSA-N 195.262 1.990 10 10 ADCE CCCCN=NNc1[nH]cnc1C#N 383549219 NUWFHLOYAJYJCH-UHFFFAOYSA-N 192.226 1.861 10 10 ADCE N#CN1CCC[C@H](N=[N+]=[N-])C1 575454477 USDZUQAGNGVSJV-LURJTMIESA-N 151.173 1.242 10 10 ADCE NCC[C@H]1CNc2ccccc2N1 616679283 DSCBONZIXOZDOV-QMMMGPOBSA-N 177.251 1.241 10 10 ADCE CCN(CCCN=[N+]=[N-])CCN(C)C 688941016 VVJKOLIUXOELKM-UHFFFAOYSA-N 199.302 1.570 10 10 ADCE CN(CCN=[N+]=[N-])Cc1ccsn1 705776107 LCKCEIOQQJSIFH-UHFFFAOYSA-N 197.267 1.885 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1C[C@H]1CCO1 1885289118 ZZOQWNHCILZRIF-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2C[C@@H]2CF)C1 1888736205 SFFBDJKVINAPBO-IYSWYEEDSA-N 198.201 1.113 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CC(F)(F)F)C1 1912184869 JBSACLCWIRBLCV-RXMQYKEDSA-N 194.160 1.933 10 10 ADCE CCON(C)CCN=[N+]=[N-] 1912207742 PGNJNRASUHSUDE-UHFFFAOYSA-N 144.178 1.180 10 10 ADCE [N-]=[N+]=NCC12CC(CCO1)C2 1951335233 ZRRZIKAEGUUXGR-UHFFFAOYSA-N 153.185 1.866 10 10 ADCE CCCNCCc1ccc(N)cc1 40397998 RBWTUZHMTCQSQJ-UHFFFAOYSA-N 178.279 1.811 10 10 ADCE Cc1nccn1Cc1ccccc1O 75578619 VRWUFKKAFRCIJI-UHFFFAOYSA-N 188.230 1.945 10 10 ADCE CC(=O)[C@H](N)c1ccc(F)cc1O 104675046 NBKFTYZXEMDFEX-VIFPVBQESA-N 183.182 1.120 10 10 ADCE Cc1ccc(O)c([C@@H](C)NO)c1 131992879 SOCVZTDUCZYYQA-SSDOTTSWSA-N 167.208 1.740 10 10 ADCE Cc1ccc2c(c1O)CN(C)CC2 212725003 HRJXALYDMIBRCR-UHFFFAOYSA-N 177.247 1.689 10 10 ADCE COc1ccc(C2(N)CC2)c(O)c1C 214728413 QSUZNCFGYBDXCK-UHFFFAOYSA-N 193.246 1.657 10 10 ADCE CC(C)C(=O)C(=O)C(=O)C(C)C 231506448 MYYCAAFXGJOEOY-UHFFFAOYSA-N 170.208 1.006 10 10 ADCE Nc1cc(F)c(O)c([C@@H]2CCN2)c1 238599058 ZHHPCCRCCWPUMT-QMMMGPOBSA-N 182.198 1.148 10 10 ADCE COC1CN(Cc2ccc(N)cc2)C1 306321542 MXAGATBOZCVNGB-UHFFFAOYSA-N 192.262 1.099 10 10 ADCE CN1C=CC(=CN=NC(N)=S)C=C1 308009348 FJYCZNKKHXFKQP-UHFFFAOYSA-N 194.263 1.539 10 10 ADCE C[C@@H]1CC[C@@H](N(C)CCN=[N+]=[N-])CO1 401473167 PZKRJUDSOJWRFW-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE COCCN(CCN=[N+]=[N-])C1CCC1 1893816250 CGVXLAAFMLVAKU-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE CC[C@H]1CCN[C@@H](CN=[N+]=[N-])O1 1912179382 UGUKFXYSCAOTDP-NKWVEPMBSA-N 170.216 1.411 10 10 ADCE CC(=O)C(=O)[C@@H](O)C1CCC(C)CC1 1929221369 PQFWNGZCSDWXRX-FBUXNDKQSA-N 198.262 1.332 10 10 ADCE CC(C)(N)c1cccc([N+](=O)[O-])c1O 1951643601 LNNMSQNECORKQH-UHFFFAOYSA-N 196.206 1.494 10 10 ADCE CC[C@@H]1C(=O)C(=O)C[C@@H]1C 12359513 PJGUAPZBKDQAHE-WDSKDSINSA-N 140.182 1.191 10 10 ADCE CN(C)/N=N/c1cnccc1C(=O)O 34568363 SHTFSDUMVMLAIO-ZHACJKMWSA-N 194.194 1.340 10 10 ADCE C[C@H]1C[C@H]1NCc1ccc(N)cc1 52294317 VPPVMWYLKYDDGJ-GZMMTYOYSA-N 176.263 1.767 10 10 ADCE C/C(=C\c1cccc(O)c1O)[N+](=O)[O-] 83253480 IDRBVDNKIKWRPE-AATRIKPKSA-N 195.174 1.735 10 10 ADCE Cc1ccc([C@H]2COC(=O)N2)c(O)c1 95686446 RDUFYYLEZBNSIA-MRVPVSSYSA-N 193.202 1.482 10 10 ADCE CC(C)NC(=O)/N=N\N(C)C 207193468 ZHRAOTOHJJBIPW-HJWRWDBZSA-N 158.205 1.033 10 10 ADCE C[C@H]1CNCc2c(O)cccc21 219366567 JSEDHIKAEPPWOZ-ZETCQYMHSA-N 163.220 1.599 10 10 ADCE CNCc1c(O)cccc1OC 221208504 VMCRCSKFSHGQLM-UHFFFAOYSA-N 167.208 1.120 10 10 ADCE CC(C)[C@@H]1C(=O)C(=O)C[C@H]1C 223915409 OJFDCPUUMYVIDV-SVRRBLITSA-N 154.209 1.437 10 10 ADCE CC[C@@H](N)[C@H](N)c1cc(C)ccc1O 306956659 RWLLBRMILKGSAN-MWLCHTKSSA-N 194.278 1.438 10 10 ADCE C[C@H]1C[C@@H](C)N(CCCN=[N+]=[N-])C1=O 399575411 BASSYHKRBRCVAD-JGVFFNPUSA-N 196.254 1.944 10 10 ADCE Cc1cccc(N)c1N[C@@H]1C[C@H]1CN 1888932846 ANIQHMOWJMTOJC-WCBMZHEXSA-N 191.278 1.336 10 10 ADCE C[C@H](O)C=Cc1ccc(O)c(O)c1 1927737602 IETUJSYZCNZPKR-ZETCQYMHSA-N 180.203 1.492 10 10 ADCE CCC[C@H](O)CN(C)CCN=[N+]=[N-] 1933620442 YNCVDLZNBAZTOH-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE [N-]=[N+]=NCCc1c(O)cccc1O 1951353775 XQOVBEDBHFHGMK-UHFFFAOYSA-N 179.179 1.951 10 10 ADCE C[C@@H](N)CCCc1ccc(O)c(O)c1 1951726296 RLWGASCPFHBFEV-MRVPVSSYSA-N 195.262 1.768 10 10 ADCE O=C1CC[C@@H](c2cccc(O)c2O)O1 1951868810 OYDCIDPRDQTCSQ-QMMMGPOBSA-N 194.186 1.476 10 10 ADCE Oc1cccc(F)c1[C@H]1C[C@H](F)CN1 1952890436 PLOJAIJIHPRNQZ-POYBYMJQSA-N 199.200 1.904 10 10 ADCE CN=c1ccc(CN=[N+]=[N-])c[nH]1 1953643173 AKITVMWQNJUSFH-UHFFFAOYSA-N 163.184 1.356 10 10 ADCE C[C@@H]1C[C@H]1N(C)c1ccc(CN)cc1 1957004629 DMMYZVUAIMUHPE-BXKDBHETSA-N 190.290 1.990 10 10 ADCE C[C@H](N)C=Cc1ccc(O)c(O)c1O 2055857162 OIMXVOWITKDBIS-LURJTMIESA-N 195.218 1.164 10 10 ADCE Cc1sc(N)c(O)c1Cl 2080409391 DOKIKHUZJVURMD-UHFFFAOYSA-N 163.629 1.998 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H](F)CC[C@@H]1O 2241947584 GEZQZUYNNUMMTH-PBXRRBTRSA-N 159.164 1.548 10 10 ADCE CC(C)N1CCN(CCN=[N+]=[N-])CC1 42415963 QQAMEXOMBPQWPS-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE CC[C@@H](O)Nc1ccc(N)cc1 113849307 YBACFLGULMZMOV-SECBINFHSA-N 166.224 1.409 10 10 ADCE CCONCc1cc(OC)ccc1O 134245832 MAVRZXDKZNUIME-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC(=O)N2CCCC[C@H]12 138372905 SRMDGVDVVCGNED-HTQZYQBOSA-N 194.238 1.840 10 10 ADCE Nc1ccc(N2C=NCC2)cc1 211969769 UMKGLJTUMGXROY-UHFFFAOYSA-N 161.208 1.117 10 10 ADCE COC[C@@H]1OC=C[C@H](OC)[C@@H]1N=[N+]=[N-] 238333713 WMQFCYQYPZOTNA-FXQIFTODSA-N 199.210 1.239 10 10 ADCE NC1(c2cc(S)ccc2O)CC1 238562794 VEGVJFUBBQFLOC-UHFFFAOYSA-N 181.260 1.629 10 10 ADCE Nc1cc(F)c(O)c2c1CCC[C@@H]2N 238583036 LHCDKUWFJDXAJK-ZETCQYMHSA-N 196.225 1.450 10 10 ADCE [N-]=[N+]=NCCOCCOCCF 238683183 RKICXNDPAUCMST-UHFFFAOYSA-N 177.179 1.299 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]([C@@H]2CO2)C[C@H]1O 306238444 ITNXGJXLYPSLTL-OSMVPFSASA-N 183.211 1.225 10 10 ADCE C[C@@H]1COCCN(CCCN=[N+]=[N-])C1 399643457 YWRLOBWNOPBEHU-VIFPVBQESA-N 198.270 1.655 10 10 ADCE [N-]=[N+]=NC[C@H]1NC2(CCCCC2)CO1 885814833 SNDBHLOLSOEKSI-QMMMGPOBSA-N 196.254 1.946 10 10 ADCE COC[C@@H]1C[C@@H]1CN=[N+]=[N-] 1880066555 JEKMUEZCTLCOHA-RITPCOANSA-N 141.174 1.579 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1C[C@H]1F 1881885272 UGQVSIKQPYDBPB-PHDIDXHHSA-N 186.190 1.113 10 10 ADCE CC=CC(=O)N(CC)CCN=[N+]=[N-] 1887716928 DXGNCSFKYFFDFI-UHFFFAOYSA-N 182.227 1.721 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2COC[C@@H](C2)C1 1887826269 RBZRYUAGWWHQRA-IUCAKERBSA-N 196.254 1.265 10 10 ADCE C[C@H]1N(CCN=[N+]=[N-])C(=O)CC1(C)C 1912155533 LKIOFVYGWAQWJZ-SSDOTTSWSA-N 196.254 1.944 10 10 ADCE C[C@H]1C[C@@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 1912155702 QVOKDRMYAWEMNY-IMTBSYHQSA-N 194.238 1.554 10 10 ADCE CC1(C)COCCN(CCN=[N+]=[N-])C1 1912161549 KQTLCKHJRIYTPA-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE CC1CC(C(=O)N2CC(N=[N+]=[N-])C2)C1 1912208454 SNVFQNDGVORQHO-UHFFFAOYSA-N 194.238 1.554 10 10 ADCE C[C@H](O)CN1CCC[C@@H](N=[N+]=[N-])CC1 1934382076 XLUMMWLLZYMVSF-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2OCC[C@H]2O1 1953594448 WCOGCWAUUQXEPN-XVMARJQXSA-N 169.184 1.243 10 10 ADCE CC1=CCCN(CCN=[N+]=[N-])C1 1953634088 OBJMXZNCOZEHGD-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE C[C@H](N)[C@@H](N=[N+]=[N-])c1cccnc1 1954081333 MWLYVUCURCVAPI-POYBYMJQSA-N 177.211 1.780 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H]1CCCNC1 1957243900 JLPBDHYERFWKTN-SECBINFHSA-N 197.286 1.371 10 10 ADCE C[C@@H](NCCCN)c1ccccc1O 37713186 ACHVPFTZZUZHDZ-SECBINFHSA-N 194.278 1.392 10 10 ADCE CCN1CCO[C@H]1c1ccccc1O 59942369 ASHPXIIHCGNGCB-NSHDSACASA-N 193.246 1.743 10 10 ADCE [N-]=[N+]=N[C@H]1CCCOC1 197189887 IRMLXOPXHHUAPT-YFKPBYRVSA-N 127.147 1.476 10 10 ADCE CC(=O)N[C@H](C)Cc1ccc(N)cc1 197319391 UASDCAVAMPFSRT-MRVPVSSYSA-N 192.262 1.336 10 10 ADCE C[C@H](N)c1cccc(CF)c1O 212387263 URXBLNPZUHIRQJ-LURJTMIESA-N 169.199 1.881 10 10 ADCE Cc1ccc(Cl)c(CN)c1O 214016125 VYFHRDUGNYDCBE-UHFFFAOYSA-N 171.627 1.813 10 10 ADCE CC(=O)OCCNc1ccc(N)cc1 238146449 OASBVZAGALYCAY-UHFFFAOYSA-N 194.234 1.244 10 10 ADCE [N-]=[N+]=NCCn1cc(F)ccc1=O 307329791 MNLWNJAJRAZVBI-UHFFFAOYSA-N 182.158 1.298 10 10 ADCE CC[C@@H](N=[N+]=[N-])[C@H](C)O 642837116 KICFIYAKNUSNQX-CRCLSJGQSA-N 129.163 1.456 10 10 ADCE Nc1ccc(CC(=O)OC2CC2)cc1 713283608 MTDGQMWVLKBWRH-UHFFFAOYSA-N 191.230 1.517 10 10 ADCE CCn1ccnc1/C=C1\CN[C@H](C)C1 953023224 KGJSQXRRYOZDTN-SBMLRHLQSA-N 191.278 1.668 10 10 ADCE CC(C)(CN)Cc1cccc(O)c1O 1535735790 VXAITNRJWVDEMN-UHFFFAOYSA-N 195.262 1.625 10 10 ADCE CN(c1ccc(N)cc1)[C@@H]1CC[C@@H]1N 1888923482 RTNRVXSATJJZRQ-WDEREUQCSA-N 191.278 1.195 10 10 ADCE COCC(C)(CN=[N+]=[N-])COC 1951349496 ASJKNIMQKMXGAC-UHFFFAOYSA-N 173.216 1.596 10 10 ADCE CSC[C@H](N)c1cc(O)ccc1O 1952236472 NKSKISXQJHISGI-QMMMGPOBSA-N 199.275 1.461 10 10 ADCE CCOC(=O)[C@H](C)CN=[N+]=[N-] 43614026 YTHYCGUXACBWMD-RXMQYKEDSA-N 157.173 1.496 10 10 ADCE CCc1cccc(CNC)c1O 107329024 YBDOYPHXXLMYCT-UHFFFAOYSA-N 165.236 1.674 10 10 ADCE CN1C(=O)OC[C@H]1c1ccccc1O 108373321 PNQXUCGJLJJIRD-QMMMGPOBSA-N 193.202 1.515 10 10 ADCE [N-]=[N+]=N[C@@H]1c2ccccc2C[C@H]1O 135768219 GGUSIXKVMSRGIH-RKDXNWHRSA-N 175.191 1.955 10 10 ADCE CC(=O)c1cc(C)n(CCN=[N+]=[N-])n1 146931010 RZLYOPXDCPZVJU-UHFFFAOYSA-N 193.210 1.704 10 10 ADCE CC[C@](C)(CN=[N+]=[N-])C(=O)OC 202470511 OHNLJLLDWZCYAO-SSDOTTSWSA-N 171.200 1.886 10 10 ADCE CCN1CCc2cccc(O)c2C1 221272089 KATOLBDJICROGM-UHFFFAOYSA-N 177.247 1.770 10 10 ADCE Cc1c(O)c(O)c(C(C)C)c(O)c1O 238225031 WOPXSUXSZQGJBT-UHFFFAOYSA-N 198.218 1.941 10 10 ADCE COCO[C@@H]1[C@@H](N=[N+]=[N-])C=CO[C@@H]1C 238355545 ZJPZKHNRQBWLJI-CSMHCCOUSA-N 199.210 1.587 10 10 ADCE [N-]=[N+]=N[C@@H](O)C1CCC1 238714531 KDFLUZPBJYLUCI-YFKPBYRVSA-N 127.147 1.415 10 10 ADCE [N-]=[N+]=Cc1ncc2ccccc2n1 306781349 JMYPBOQAWXNTMS-UHFFFAOYSA-N 170.175 1.279 10 10 ADCE CC(C)/C=C1/SC(N)=NC1=O 306944697 YRNYCYKPEAJOBQ-HWKANZROSA-N 170.237 1.114 10 10 ADCE Nc1ccc(NC[C@H]2C[C@H](O)C2)cc1 720919305 RUERRXWLGDRXRB-JLIMDTESSA-N 192.262 1.452 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@H](O)C1 1879988917 MHZUPLVZDQMWFO-URHBZAFASA-N 127.147 1.068 10 10 ADCE C[C@H](C(=O)O)N1CCC[C@@H]1CN=[N+]=[N-] 1885287269 PBZVGBLRXRYZBK-RNFRBKRXSA-N 198.226 1.234 10 10 ADCE CN(c1ccc(N)cc1)[C@@H]1CC[C@H]1N 1888923476 RTNRVXSATJJZRQ-GHMZBOCLSA-N 191.278 1.195 10 10 ADCE COc1ccc(N2C[C@H](O)[C@H]2C)cc1 2209623758 CHTTUICLYACVBN-KCJUWKMLSA-N 193.246 1.265 10 10 ADCE C[C@H]1CC[C@@H]1C(=O)NCCCN=[N+]=[N-] 2209769907 WUUXXHRAEBLNNH-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE C[C@H]1Cc2ccc(O)c(O)c2C(=O)O1 13459834 NNADFONXCWKMRA-YFKPBYRVSA-N 194.186 1.199 10 10 ADCE C[C@H](Cc1ccc(O)c(O)c1)NO 34455120 IKBIYXACJDZMFU-ZCFIWIBFSA-N 183.207 1.008 10 10 ADCE CNCc1ccc2[nH]ccc2c1O 82868973 OLYKTLXEXRFTDL-UHFFFAOYSA-N 176.219 1.593 10 10 ADCE C[C@@H](O)CNCc1cc(F)ccc1O 83343145 BZYJEOPFGHJDAA-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE CC[C@@H](N)c1cc(COC)ccc1O 104454451 CMDTTWUGOYHFSN-SNVBAGLBSA-N 195.262 1.948 10 10 ADCE COC[C@H](N)c1cc(F)ccc1O 104491193 KYCRPEMFEHBUME-QMMMGPOBSA-N 185.198 1.178 10 10 ADCE C[C@H](NC(=O)CN=[N+]=[N-])c1ccco1 104701988 KXTQKUXUCZADLW-LURJTMIESA-N 194.194 1.767 10 10 ADCE CN(c1ccc(N)cc1)C1CSC1 107184102 YHZXBZTUBGFKMU-UHFFFAOYSA-N 194.303 1.820 10 10 ADCE CCCCC[C@H](O)[C@H](CO)N=[N+]=[N-] 214323840 UKEDANHVKNAKDE-YUMQZZPRSA-N 187.243 1.599 10 10 ADCE CC(C)C(=O)c1cccc(O)c1O 217792211 GVNWEXFFQNSPAT-UHFFFAOYSA-N 180.203 1.937 10 10 ADCE C[C@H]1COCC[C@H]1N=[N+]=[N-] 219003675 TWKUXPKDLCGUNX-NTSWFWBYSA-N 141.174 1.722 10 10 ADCE CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])C=CO[C@H]1C 238409120 QBTMAHFTNMULDZ-GEVIPFJHSA-N 197.194 1.529 10 10 ADCE NC1(c2cc(O)c(F)cc2O)CC1 257972822 CZWPAPPJQAZNFH-UHFFFAOYSA-N 183.182 1.185 10 10 ADCE COc1cc(C)c(N(C)CO)cc1C 258998665 YRCRXRKSQKQRNO-UHFFFAOYSA-N 195.262 1.698 10 10 ADCE CC[C@](C)(N)c1cccc(CO)c1O 306172665 BGTWFVQWFOGZIQ-NSHDSACASA-N 195.262 1.468 10 10 ADCE CO[C@@H]1OCC[C@H](N=[N+]=[N-])[C@H]1N=[N+]=[N-] 306200313 IFVHXOIRWVHTTR-KVQBGUIXSA-N 198.186 1.737 10 10 ADCE Nc1cccc(F)c1N[C@H]1CCOC1 307483315 MAUPAXFQGRKZEF-ZETCQYMHSA-N 196.225 1.609 10 10 ADCE CC1(C)[C@@H](O)CCN1CCCN=[N+]=[N-] 379630266 MROXAFFSNJGHHM-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=N[C@@H]1COCC2(CCC2)[C@@H]1O 1912186857 GYUSUYUCHGCDDO-RNFRBKRXSA-N 183.211 1.227 10 10 ADCE O=C1CC(c2cc(O)c(O)c(O)c2)C1 1951855942 NTIHSDGOKPCCNO-UHFFFAOYSA-N 194.186 1.250 10 10 ADCE CC(=O)C1(c2cc(O)nc(O)c2)CC1 1952217002 DCKIESIGJNZVAL-UHFFFAOYSA-N 193.202 1.113 10 10 ADCE CC(=O)C(=O)c1ccc(C)o1 2003741 CSILYJHAPLAXTQ-UHFFFAOYSA-N 152.149 1.360 10 10 ADCE endogenous,in-man CCCc1cccc([C@@H](N)CN)c1O 72200430 CPGFBTORZKIMIJ-JTQLQIEISA-N 194.278 1.303 10 10 ADCE CONCc1cccc(F)c1O 82855910 CYARRCDLDATXRZ-UHFFFAOYSA-N 171.171 1.182 10 10 ADCE Oc1ccc(O)c([C@H]2CCN2)c1 95784012 GNVIICCXJLUZCX-MRVPVSSYSA-N 165.192 1.132 10 10 ADCE [N-]=[N+]=NCCN(CCN=[N+]=[N-])N=O 102286288 RIUZFDCNWKDQLC-UHFFFAOYSA-N 184.163 1.590 10 10 ADCE C[C@@H](N)c1cc(N)cc(F)c1O 104507868 CKWDMWGNZVWGDL-SCSAIBSYSA-N 170.187 1.133 10 10 ADCE CN[C@H](CCO)c1cc(C)ccc1O 107486410 XBOJRWANRCKKOH-SNVBAGLBSA-N 195.262 1.344 10 10 ADCE CC(C)[C@H](CO)CN=[N+]=[N-] 140990278 JQXNZIUZCWFXLW-LURJTMIESA-N 143.190 1.561 10 10 ADCE CN1CC[C@H](N=[N+]=[N-])C1 199817920 TUSZKPCPYRBKPX-YFKPBYRVSA-N 126.163 1.001 10 10 ADCE C[C@@H]1CC/C(=C\O)C(=O)O1 204994322 YCROPIXIXHPRKG-YWSOBTQUSA-N 142.154 1.154 10 10 ADCE Cc1ccc(O)c2c1CCNC2 212165515 WYKBKNDHALSZLR-UHFFFAOYSA-N 163.220 1.346 10 10 ADCE CC(=S)/C=C(\N)C(F)(F)F 216476007 MOERDFTXNGVSDF-RQOWECAXSA-N 169.171 1.781 10 10 ADCE Cc1cc(Cl)c(O)c(O)c1O 238499245 LASYABQIHUWCHH-UHFFFAOYSA-N 174.583 1.765 10 10 ADCE NC(=S)N/N=N/c1ccccc1 238571298 RFQSSPJUIMCAKE-UHFFFAOYSA-N 180.236 1.519 10 10 ADCE [N-]=[N+]=N[C@@]1(C(=O)O)CCCC[C@@H]1O 238676659 FQERWYZKODQVLG-FSPLSTOPSA-N 185.183 1.055 10 10 ADCE Cc1cc(O)c(O)c2c1CCNC2 257983075 ZWVHTZKEZUIGOV-UHFFFAOYSA-N 179.219 1.052 10 10 ADCE Cc1cc(CC(=O)O)c(O)c(O)c1C 258070167 MCKJQLLFNDYGLM-UHFFFAOYSA-N 196.202 1.342 10 10 ADCE CONCc1cc(C)cc(OC)c1O 258203260 YQFUGXIYPMIWEK-UHFFFAOYSA-N 197.234 1.360 10 10 ADCE [N-]=[N+]=NC[C@]12CO[C@H]3C[C@H](CC[C@H]31)O2 383702888 OSNFKOMQHUEGSQ-KZVJFYERSA-N 195.222 1.633 10 10 ADCE C[C@H]1C[C@H](N(C)CCCN=[N+]=[N-])CO1 401450912 FYQBKVYMOXPCKM-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC[C@H](O)CCc1ccc(N)cc1 695927945 WRTMRKAFOIYNBR-NSHDSACASA-N 179.263 1.972 10 10 ADCE CN(C)CCN1CCC[C@H]1CN=[N+]=[N-] 1885288210 UQWHRZOVXXODCY-VIFPVBQESA-N 197.286 1.323 10 10 ADCE O[C@H]1CCc2cc(N3CCC3)ccc21 1886428634 FITFTRCFIBGOBR-LBPRGKRZSA-N 189.258 1.876 10 10 ADCE Nc1ccc(NC[C@@H]2CC[C@@H]2O)cc1 1904728415 VGSXLYFAHFKJHJ-KWQFWETISA-N 192.262 1.452 10 10 ADCE C[C@@H]1CCO[C@H]1CN(C)CCN=[N+]=[N-] 1912162281 UJBWBCYHBPAQED-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE CO[C@H]1CCC[C@@H]1N1CC(N=[N+]=[N-])C1 1912164796 CVBRDPLVYMCZLH-IUCAKERBSA-N 196.254 1.548 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@@]12CC[C@H]1C2 1935498769 CMCWGGDUBAZPER-IONNQARKSA-N 194.238 1.603 10 10 ADCE CN[C@H](COC)c1cc(O)ccc1O 1951844694 RYAKRQWGTOQUPA-SECBINFHSA-N 197.234 1.005 10 10 ADCE Cn1cc([N+](=O)[O-])c(CN=[N+]=[N-])n1 1954425282 XZBANFMMXWYFFL-UHFFFAOYSA-N 182.143 1.139 10 10 ADCE C[C@H]1C[C@@H]1N(C)c1ccc(CN)cc1 1957004630 DMMYZVUAIMUHPE-CABZTGNLSA-N 190.290 1.990 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](O)CCC12CC2 2209729241 SLVZSTKJELUBGO-MRVPVSSYSA-N 196.254 1.286 10 10 ADCE C[C@@H]1CC[C@@H](N=[N+]=[N-])CN1 2241270628 RJZKUPCYXXINKS-PHDIDXHHSA-N 140.190 1.437 10 10 ADCE C[C@H]1O[C@@H]1C(C)(C)N=[N+]=[N-] 39132234 NNEZRQIKYAZODJ-UHNVWZDZSA-N 141.174 1.863 10 10 ADCE COc1cccc(C(=O)C(C)=O)c1 58519174 WEZYDZVQVRDNAZ-UHFFFAOYSA-N 178.187 1.467 10 10 ADCE [N-]=[N+]=N[C@H]1CCC(=O)N2CCCC[C@H]12 207512594 SRMDGVDVVCGNED-JGVFFNPUSA-N 194.238 1.840 10 10 ADCE CCCN/C=C\C(C)=S 211907188 YKQFVRCFGBTRPU-XQRVVYSFSA-N 143.255 1.890 10 10 ADCE COC(=O)N[C@@H](C)CN=[N+]=[N-] 218525497 JSLYKJSBKICCAQ-BYPYZUCNSA-N 158.161 1.041 10 10 ADCE N[C@@H](CC1CC1)c1c(O)cccc1O 238647423 NEQDUMUXNCVJFP-QMMMGPOBSA-N 193.246 1.898 10 10 ADCE Cc1ccc(/C=C/CN)c(O)c1O 258095917 XFULUFZGLJFKMB-NSCUHMNNSA-N 179.219 1.378 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]2CC(=O)CCN2C1 306330902 OZXOFHJKUYIHIP-RQJHMYQMSA-N 180.211 1.103 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H]2CNC[C@@H]2C1 306833815 OPCPMVPTLRLODA-ZMONIFLSSA-N 152.201 1.295 10 10 ADCE N[C@@H](CF)c1c(F)ccc(F)c1O 306920864 NZCRUMVXCCOYQW-LURJTMIESA-N 191.152 1.640 10 10 ADCE CC(C)(N)CCc1cccc(O)c1O 1535735041 GJUFYEPGCCUZSP-UHFFFAOYSA-N 195.262 1.768 10 10 ADCE COc1cncc(OC)c1CN=[N+]=[N-] 1535867909 LVWDXJABGJEELR-UHFFFAOYSA-N 194.194 1.909 10 10 ADCE Nc1ccc(N[C@@H]2[C@@H]3CCO[C@H]32)cc1 1884448598 GMYWRURRYJHDLB-HBNTYKKESA-N 190.246 1.468 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC(C)=C1C 1884715077 MLPUKSDIARLFTP-NSHDSACASA-N 196.246 1.396 10 10 ADCE CC(C)(O)CN1CCC[C@@H]1CN=[N+]=[N-] 1885288983 ZBXXWBFLSVAUFR-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE C[C@@H](c1ccccc1O)N(C)C(=N)N 1889467715 QYNNAZCDGAOTPS-ZETCQYMHSA-N 193.250 1.278 10 10 ADCE C[C@@H]1COCC[C@H]1N(C)CCN=[N+]=[N-] 1912162500 WSQLKQCDPNUAAB-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCCCn1ccnc1 1912175996 SWLIDOHWKWRXDR-UHFFFAOYSA-N 165.200 1.974 10 10 ADCE C[C@@H]1C[C@]1(N)c1cc(F)ccc1O 1951733146 WYAUBIRHZSDPOX-LHLIQPBNSA-N 181.210 1.725 10 10 ADCE CN[C@H](COC)c1c(O)cccc1O 1951860389 KKTGHGDWJWSOED-SSDOTTSWSA-N 197.234 1.005 10 10 ADCE Oc1cccc(O)c1[C@H]1NCC[C@H]1F 1952824907 FREQNVSOHACPPD-LDWIPMOCSA-N 197.209 1.470 10 10 ADCE Oc1ccc([C@H]2NCC[C@H]2F)cc1O 1952826421 XYXMJECPRKHEFW-GMSGAONNSA-N 197.209 1.470 10 10 ADCE CC=C1CCN(CCN=[N+]=[N-])C1 1953644415 SDWGENQUTBIETP-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CC[C@H]1CN2 1957242435 ABJIEZJUMMXDKM-BDAKNGLRSA-N 195.270 1.123 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1CCCN1 1957243514 GDIMNAXZWIXTGA-VIFPVBQESA-N 197.286 1.371 10 10 ADCE CCN[C@@H]1CCCN(CCN=[N+]=[N-])C1 1957247150 MAOZWJTZJQBKIK-SECBINFHSA-N 197.286 1.371 10 10 ADCE CCc1ccc(O)c(O)c1N 2055139198 PYDFMQJYNFUQFJ-UHFFFAOYSA-N 153.181 1.242 10 10 ADCE Nc1ccc(Cc2cnsn2)cc1 67172316 YHOILLPTFYWMPL-UHFFFAOYSA-N 191.259 1.711 10 10 ADCE ONCc1cc(Cl)ccc1O 82868167 MNJYHRKUEGVPJH-UHFFFAOYSA-N 173.599 1.524 10 10 ADCE CC[C@@H](N=[N+]=[N-])[C@@H](C)C(=O)O 146382546 PJHWUVDKSTXEFO-RFZPGFLSSA-N 157.173 1.796 10 10 ADCE CCOC(=O)/C(=C/O)c1cccnc1 165813341 OSYROUWYLFUUIK-VQHVLOKHSA-N 193.202 1.544 10 10 ADCE C[C@@H]1Oc2ccc(N(C)C)cc2[C@@H]1O 209217491 QQPCHXYMYFEMPN-WRWORJQWSA-N 193.246 1.567 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@H]1N 223277886 QURWPRWUDYEQNR-RITPCOANSA-N 140.190 1.567 10 10 ADCE Cc1c(O)c(O)c(O)c2cnncc12 238535707 BSRVPWSOGGDDQF-UHFFFAOYSA-N 192.174 1.055 10 10 ADCE Cn1nnc2ccc(CN=[N+]=[N-])cc21 238554645 LQUYYRSEOTUKNF-UHFFFAOYSA-N 188.194 1.779 10 10 ADCE O=C(c1cc(O)cs1)N1CCCO1 306169852 KEJYEQCDMFBMGE-UHFFFAOYSA-N 199.231 1.231 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC2(CCNCC2)CO1 536959289 YVRJYTJELNFJMU-QMMMGPOBSA-N 196.254 1.455 10 10 ADCE Oc1cc(CNC2CC2)cc(O)c1O 1887789036 DZDWBXZZZLBKBR-UHFFFAOYSA-N 195.218 1.055 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCO1 1888422234 CFBAAZUYGUNQAY-SSDOTTSWSA-N 170.216 1.017 10 10 ADCE NC[C@H](Oc1ccc(N)cc1)C1CC1 1896268536 JBCDPRJKSZHDMQ-NSHDSACASA-N 192.262 1.385 10 10 ADCE CC(C)[C@H](O)CCN=[N+]=[N-] 1951351281 WWTDJTNFEFQNIN-ZCFIWIBFSA-N 143.190 1.704 10 10 ADCE CNC[C@H](C)N(C)CCCN=[N+]=[N-] 1954208324 LKUYYQGWCNZOEK-QMMMGPOBSA-N 185.275 1.227 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCC[C@@H]1CN 1957245303 WRZLDMUMDMWJIF-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE CN(CCN=[N+]=[N-])CC1[C@H]2COC[C@H]12 1957269461 LPUTWUIYXVKITD-RKDXNWHRSA-N 196.254 1.121 10 10 ADCE C[C@H]1CC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 2209770496 ZCOAEKHINHJRSM-XPUUQOCRSA-N 194.238 1.554 10 10 ADCE O=[N+]([O-])/C=C/c1ccc(O)c(O)c1 2519273 LLJASJHXECDHOM-ONEGZZNKSA-N 181.147 1.345 10 10 ADCE in-vivo C[C@H](N)c1cc([N+](=O)[O-])ccc1O 83591692 MBXJVOYZJGGBKH-YFKPBYRVSA-N 182.179 1.320 10 10 ADCE Cc1ccc([C@@H](C)N)c(O)c1F 95716588 BWPTVEBVSGWEFP-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE CC(=O)N/C=C\C(C)=S 100978154 VBMFBICRERYTAZ-ARJAWSKDSA-N 143.211 1.026 10 10 ADCE COC(=O)c1cc(O)c(O)c(C)c1C 115158376 GSSSFVJVAHMMMB-UHFFFAOYSA-N 196.202 1.501 10 10 ADCE O=C1c2cc[nH]c2C(=O)c2cc[nH]c21 143399920 WGHQDPNGVUFIGQ-UHFFFAOYSA-N 186.170 1.118 10 10 ADCE Oc1cc2cc[nH]c2c(O)c1O 148240247 XIJXXFQPPLZXDB-UHFFFAOYSA-N 165.148 1.285 10 10 ADCE CCCCN1C[C@@H](N=[N+]=[N-])C[C@@H]1CO 211862933 IRRGTDHBMFALJE-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE Nc1ccc(Nc2cncnc2)cc1 236364790 OHSCRUZPLYCCOX-UHFFFAOYSA-N 186.218 1.802 10 10 ADCE CC1(C)CCNC(=O)[C@@H](N=[N+]=[N-])C1 238219957 CDFYHQJKSSAPCQ-LURJTMIESA-N 182.227 1.602 10 10 ADCE COC[C@@H]1O[C@@H](N=[N+]=[N-])C=C[C@@H]1OC 238333842 HMFDSXAIWGSYPI-BIIVOSGPSA-N 199.210 1.239 10 10 ADCE Oc1ccc([C@@H]2NC[C@@H]3C[C@@H]32)cc1O 250886296 JCDHSUAKISUSIW-LAEOZQHASA-N 191.230 1.378 10 10 ADCE CONCc1c(F)ccc(F)c1O 258065090 LWEWJOAVEXEWKA-UHFFFAOYSA-N 189.161 1.321 10 10 ADCE CC1(C)O[C@@H]2C=C[C@@H](N=[N+]=[N-])[C@H]2O1 306256021 NNADTQCNGPJSSH-FSDSQADBSA-N 181.195 1.755 10 10 ADCE [N-]=[N+]=Cc1ncnc2ccccc12 307316815 BENPSKYRHSJUFW-UHFFFAOYSA-N 170.175 1.279 10 10 ADCE C[C@@]1(CO)CCCN1CCN=[N+]=[N-] 723023645 XRCBBWCPCSOFBZ-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE Nc1ccc(NC[C@H]2C[C@@H](N)C2)cc1 904354067 VNKTUCLSRGOSIC-WAAGHKOSSA-N 191.278 1.418 10 10 ADCE COc1c(CCN=[N+]=[N-])c(C)nn1C 1535816871 BMTHKONPHFGBHI-UHFFFAOYSA-N 195.226 1.590 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1F 1912169577 MLXKQUIIUPGXJZ-RNFRBKRXSA-N 172.207 1.587 10 10 ADCE [N-]=[N+]=NCCN1CC2(C1)CC2(F)F 1912207340 WXEUAUICENZKLN-UHFFFAOYSA-N 188.181 1.638 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@@H](C)C(C)(C)C 1929234177 OADMHWUNWJUNBD-SVRRBLITSA-N 186.251 1.188 10 10 ADCE C[C@@H](CO)NCc1ccc(F)cc1O 1964554273 ZIDXXVWDGLDMNP-ZETCQYMHSA-N 199.225 1.002 10 10 ADCE CCOc1cc(O)c(O)cc1C(C)=O 2054913502 XUQYAVIYHBMXGZ-UHFFFAOYSA-N 196.202 1.699 10 10 ADCE CCOC(=O)NCCN=[N+]=[N-] 42012712 VOBLYMZONANCIX-UHFFFAOYSA-N 158.161 1.043 10 10 ADCE C[C@H](CC(N)=O)c1ccc(O)c(O)c1 143811992 BOTXCKUWUDLGKA-ZCFIWIBFSA-N 195.218 1.077 10 10 ADCE C[C@@H](CO)COc1ccc(N)cc1 161778465 BMUJPYFVQWUXDD-QMMMGPOBSA-N 181.235 1.276 10 10 ADCE C[C@@]1(N=[N+]=[N-])OC(=O)c2cccnc21 197498371 YDKJRCCBRQZPCI-MRVPVSSYSA-N 190.162 1.735 10 10 ADCE Cc1ccc(O)c([C@@H](C)N)c1F 212382744 MIAKLKLVQCQMPV-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE COC1=CCN[C@H]1c1ccccc1O 219247069 SNHGUIDCUKIBAA-NSHDSACASA-N 191.230 1.567 10 10 ADCE CC(=O)O[C@@]1(C)COC=C[C@H]1N=[N+]=[N-] 238079863 GABOSBHDMWNKHO-SFYZADRCSA-N 197.194 1.531 10 10 ADCE [N-]=[N+]=NCc1ccc(CO)cn1 253579485 ZROSFUIQUMCVGI-UHFFFAOYSA-N 164.168 1.384 10 10 ADCE CC[C@H](CO)Nc1c(N)cccc1F 307126010 UQLDBSKYCAJSPY-SSDOTTSWSA-N 198.241 1.591 10 10 ADCE Cc1cc(CN=[N+]=[N-])nn1C 575564819 NDROYGWQWAVKAH-UHFFFAOYSA-N 151.173 1.539 10 10 ADCE CCc1nnc(CN=[N+]=[N-])s1 575570343 WGRUVZWIWSBMEL-UHFFFAOYSA-N 169.213 1.911 10 10 ADCE C[C@@H]1C/C(=C/c2nccn2C)CCN1 690650404 WPYOUJMKPULGIF-NCXKZPMSSA-N 191.278 1.575 10 10 ADCE [N-]=[N+]=NCCS[C@H]1CCOC1 703117308 UNBXNCWCXKASRW-LURJTMIESA-N 173.241 1.819 10 10 ADCE CNC1(CNc2ccc(N)cc2)CC1 1888933893 OWHGIOGNQZMZEY-UHFFFAOYSA-N 191.278 1.433 10 10 ADCE C[C@@H]1[C@H](O)CCN1CCCN=[N+]=[N-] 1912153857 DWXCHJOBXNEEDB-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE CCCN(CCN=[N+]=[N-])OC 1912165844 PONGVODGTDCPIN-UHFFFAOYSA-N 158.205 1.570 10 10 ADCE CN[C@@H](c1ccccc1O)[C@@H](C)O 1929438276 KMCQNAXTKJMNLZ-GMSGAONNSA-N 181.235 1.034 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc(F)c(O)c1 1951358219 VJZWHWWYCPJUCD-SSDOTTSWSA-N 197.169 1.875 10 10 ADCE NC1CC(c2cccc(O)c2O)C1 1952422807 KMHFFIICEAWJAL-UHFFFAOYSA-N 179.219 1.303 10 10 ADCE CCN=c1cc(C)nc(CN=[N+]=[N-])[nH]1 1956286602 YTJAWMBOOCNNPX-UHFFFAOYSA-N 192.226 1.449 10 10 ADCE CCO[C@]1(CN=[N+]=[N-])CCOC1 2241916421 GQWVBSUPRYZIRA-ZETCQYMHSA-N 171.200 1.492 10 10 ADCE C[C@@H]1C[C@@H]1C(=O)N(C)CCCN=[N+]=[N-] 2297025414 PLFJXYPQMBIFAJ-SFYZADRCSA-N 196.254 1.801 10 10 ADCE CCCCNCCN=[N+]=[N-] 34592649 MODKEEWVOHMFEX-UHFFFAOYSA-N 142.206 1.686 10 10 ADCE CSc1cccc([C@@H](N)CN)c1O 72200538 WDOOQEHCMHAQOI-ZETCQYMHSA-N 198.291 1.073 10 10 ADCE C[C@@H]1C[C@@H]1CN(C)CCN=[N+]=[N-] 82649477 NRFOCYRCDFZAGL-HTQZYQBOSA-N 168.244 1.885 10 10 ADCE CC[C@@H]1NCCc2c1ccc(O)c2O 83656029 XHBYVLBYGGTGRS-VIFPVBQESA-N 193.246 1.695 10 10 ADCE [N-]=[N+]=NC1=CN=C=CC=C1 90366826 FXESSQMSTAMWBI-UHFFFAOYSA-N 132.126 1.934 10 10 ADCE N#C/N=N\C(=O)c1ccccc1 100213739 SISPERNKPCHEJO-KHPPLWFESA-N 159.148 1.760 10 10 ADCE CN[C@H]1CCc2cc(N(C)C)ccc21 107134609 PPSMFDRDXMRTLA-LBPRGKRZSA-N 190.290 1.959 10 10 ADCE [N-]=[N+]=N[C@@H]1COC[C@H]1N=[N+]=[N-] 137270080 HUZCLHFEIAKPEH-QWWZWVQMSA-N 154.133 1.374 10 10 ADCE C[C@H](O)C[C@H](C)N=[N+]=[N-] 159705625 NIADQJKBLBSMST-WHFBIAKZSA-N 129.163 1.456 10 10 ADCE N[C@H](c1cc(CO)ccc1O)C1CC1 211625606 WBQHDIRTBMZQJN-NSHDSACASA-N 193.246 1.294 10 10 ADCE C[C@H](N=[N+]=[N-])[C@H]1CC[C@@H](O)O1 238459485 IBPFIMZTGGBNDA-JKUQZMGJSA-N 157.173 1.183 10 10 ADCE CO[C@]1(C)CCN(CCCN=[N+]=[N-])C1 308466904 GPCABXBERGOJAV-SECBINFHSA-N 198.270 1.798 10 10 ADCE CCC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403600730 DKSVRWMOVGJRBO-ZETCQYMHSA-N 182.227 1.698 10 10 ADCE NCCC1(c2ccc(O)c(O)c2)CC1 1535861313 VTZHUFMEUUFRCG-UHFFFAOYSA-N 193.246 1.478 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C[C@H]2CCCO2)C1 1912158501 XWRITOKRGSYVDU-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE C[C@H]1CNCC1=Cc1nccn1C 1926527216 FUUMOSXEDMAXTF-QMMMGPOBSA-N 177.251 1.043 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2CC[C@@H]1O2 1953292072 MEIIRNFUBYQCRY-XVMARJQXSA-N 153.185 1.864 10 10 ADCE O=Cc1cc(O)c(O)c(F)c1F 39127996 BPRFVTSMTWMAEZ-UHFFFAOYSA-N 174.102 1.189 10 10 ADCE C[C@@H]1C[C@H](c2ccc(O)c(O)c2)CN1 82892602 KAAJSHDDAUFGPE-APPZFPTMSA-N 193.246 1.563 10 10 ADCE CC[C@@H](N)c1cccc(OC)c1O 95659222 XXXQBFBZNVALFD-MRVPVSSYSA-N 181.235 1.811 10 10 ADCE Cc1cccc([C@@H](N)CCCO)c1O 95672946 RJGSBNAROLSFHJ-JTQLQIEISA-N 195.262 1.473 10 10 ADCE CC(=O)[C@H](N)c1cccc(F)c1O 104671873 DYCOUGBHGOSJPV-QMMMGPOBSA-N 183.182 1.120 10 10 ADCE Oc1ccc(N2CCCC2)cc1O 137752739 ZKSIRFMRGSQSKN-UHFFFAOYSA-N 179.219 1.698 10 10 ADCE [N-]=[N+]=N[C@H](C1CCCCC1)[C@@H](O)CO 196531662 UDZQHFOSULRAIE-DTWKUNHWSA-N 199.254 1.599 10 10 ADCE C/N=N/c1ccc(N)cc1N 197875378 HGZVWLANKRTYKJ-ZHACJKMWSA-N 150.185 1.565 10 10 ADCE CCc1c(O)c(O)c(CC)c(O)c1O 238302481 KLSSEKHICDVSSU-UHFFFAOYSA-N 198.218 1.634 10 10 ADCE Cc1cc([C@@H](C)C(=O)O)cc(O)c1O 258093556 OEVPDUXXBLEASZ-ZCFIWIBFSA-N 196.202 1.594 10 10 ADCE C[C@@H]1C[C@H]1NC(=O)c1cc(O)cs1 306277015 HONXCFHHVXCEFX-IYSWYEEDSA-N 197.259 1.592 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H](O)[C@H](N=[N+]=[N-])C1 306672148 AANHVVCKXVBVAS-PBXRRBTRSA-N 182.187 1.889 10 10 ADCE O=C1O[C@@H]2CCC[C@@H]2/C1=C/O 307290162 BGHPRYXKAVLNSZ-NRMOTYEGSA-N 154.165 1.154 10 10 ADCE CCCCN1C[C@@H](O)C[C@H]1CN=[N+]=[N-] 308341014 BOIXYFMVPBSKAI-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CCCONCc1cc(F)ccc1O 314670767 BRDZQYPZUWLTLG-UHFFFAOYSA-N 199.225 1.963 10 10 ADCE C[C@@H]1COCCCN1CCCN=[N+]=[N-] 398951710 RZVIPCXVJZQYEV-SECBINFHSA-N 198.270 1.798 10 10 ADCE Nc1ccc(C[C@@H](O)C2CCC2)cc1 696540582 TUSKDOBXUSLBLD-GFCCVEGCSA-N 191.274 1.972 10 10 ADCE CC[C@@]1(O)CCCN(CCN=[N+]=[N-])C1 710219611 OFLJYWOIMDTTFE-SECBINFHSA-N 198.270 1.534 10 10 ADCE C[C@@H]1C[C@@H]1CN=[N+]=[N-] 722895362 BGRGBYWLTQIDJK-RFZPGFLSSA-N 111.148 1.953 10 10 ADCE C[C@@H]1C[C@H](N=[N+]=[N-])CCS1(=O)=O 724043978 XNTHXTZMJCOPQX-PHDIDXHHSA-N 189.240 1.262 10 10 ADCE O=C1CCC[C@@H](C(=O)C2CCC2)C1=O 725258395 MRQOTTXUXUDOEG-QMMMGPOBSA-N 194.230 1.294 10 10 ADCE CCC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 885409479 SULHJHRNDSODJZ-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE C/C=C/CN(C)CCN=[N+]=[N-] 1880161390 NQBZUSOGEPFPMP-ONEGZZNKSA-N 154.217 1.805 10 10 ADCE Cc1ccc(O)c(CN[C@@H]2C[C@@H]2F)c1 1887536462 JSTJWVREISBVBL-VHSXEESVSA-N 195.237 1.901 10 10 ADCE CCN(C)[C@@H]1CCN(CCN=[N+]=[N-])C1 1912183914 UQUPCFXFHVXRAM-SECBINFHSA-N 197.286 1.323 10 10 ADCE CC(C)N1CC(N=[N+]=[N-])C1 1912185741 VDDGWJPZFPNGAH-UHFFFAOYSA-N 140.190 1.389 10 10 ADCE C[C@@H]1O[C@@H](CN=[N+]=[N-])NCC1(C)C 1912207505 OSEKDOZYXJAAFV-BQBZGAKWSA-N 184.243 1.657 10 10 ADCE CCCC1([C@@H](O)C(=O)C(C)=O)CC1 1929226214 APRORBJXFYSKTJ-VIFPVBQESA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NCCCCN1CC=CC1 1953634521 QLKPGKAUEDNKJU-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE CCN[C@H](c1ccccc1O)[C@H](C)N 1956179201 HIOMCZQIUDWERJ-KWQFWETISA-N 194.278 1.390 10 10 ADCE CC1(C)C[C@H](N)CN(CCN=[N+]=[N-])C1 1957244556 RBAXWOLOSIUBJN-QMMMGPOBSA-N 197.286 1.356 10 10 ADCE CN(C)c1cc2c(cc1F)NCC2 82396521 WJLWDEMSALIXLQ-UHFFFAOYSA-N 180.226 1.860 10 10 ADCE Cc1cc(O)c([C@H](N)CCO)cc1C 82907419 RYAWRWQYMNJECT-SNVBAGLBSA-N 195.262 1.391 10 10 ADCE CNCc1ccc2nc(C)oc2c1O 214678476 FKFAIEVBVYQUQS-UHFFFAOYSA-N 192.218 1.561 10 10 ADCE CCc1cc(CN(C)O)c(O)cc1O 214881470 KRSMPGMZCISTIZ-UHFFFAOYSA-N 197.234 1.481 10 10 ADCE C[C@H]1CN(Cc2ccccc2O)CO1 238479060 FCLGASWZFFKXSR-VIFPVBQESA-N 193.246 1.570 10 10 ADCE [N-]=[N+]=N[C@H]1CCCCN1N=O 238602337 QTQCRWJSEFFRQT-RXMQYKEDSA-N 155.161 1.790 10 10 ADCE NCc1sc(C(F)(F)F)cc1O 238614916 NXJMTCHLQKOWIO-UHFFFAOYSA-N 197.181 1.931 10 10 ADCE COCCN(CCF)CCN=[N+]=[N-] 697048317 UQADLYATDTYVTJ-UHFFFAOYSA-N 190.222 1.215 10 10 ADCE Cn1ccc2c(C3CNC3)cccc21 1535797115 ZGRGEKYZZLRWHN-UHFFFAOYSA-N 186.258 1.865 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@@H]2O)cc1 1878139197 BRCPLBBRBWBJQZ-ZJUUUORDSA-N 178.235 1.204 10 10 ADCE [N-]=[N+]=NCC(=O)CC1CC1 1880131647 DDCJGBIINLYJRO-UHFFFAOYSA-N 139.158 1.666 10 10 ADCE CN[C@H]1CCCN(CCN=[N+]=[N-])CC1 1888936644 MJGAMSOPKZMITG-VIFPVBQESA-N 197.286 1.371 10 10 ADCE CC[C@H](Oc1ccc(N)cc1)[C@@H](C)N 1896269066 PTTMMMVAPRRDLI-KCJUWKMLSA-N 194.278 1.773 10 10 ADCE C[C@@H](N)[C@H](N=[N+]=[N-])c1ccco1 1953712156 BPCRCFINUHDMDI-VDTYLAMSSA-N 166.184 1.978 10 10 ADCE NC1CN(c2ccc3c(c2)CCC3)C1 1955849688 BXXZSBGJEJLDOU-UHFFFAOYSA-N 188.274 1.323 10 10 ADCE Nc1ccc(CN2CC=C(F)C2)cc1 1956232051 VALWIFGKKACHIE-UHFFFAOYSA-N 192.237 1.938 10 10 ADCE C[C@H](N)c1cc2c3c(c1)CCN3CC2 11730108 XLYBCSRENPCPHE-QMMMGPOBSA-N 188.274 1.625 10 10 ADCE O=c1ccc2c(O)c(O)ccc2o1 13481525 RNKFVDQWRYTJGD-UHFFFAOYSA-N 178.143 1.204 10 10 ADCE COC(=N)c1sccc1O 39059881 IXCWGXGGVICMAN-UHFFFAOYSA-N 157.194 1.425 10 10 ADCE CC(C)CC(=O)NCCCN=[N+]=[N-] 42012863 ZVMZRLSAXCHGCR-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE N[C@@H](CO)c1c(O)cccc1Cl 72197603 FHGLTDXAHVYWPL-LURJTMIESA-N 187.626 1.038 10 10 ADCE CC(C)c1ccc(CN)c(O)c1 82632773 IBUOYUJMYRDHTD-UHFFFAOYSA-N 165.236 1.974 10 10 ADCE C[C@](N)(CC(=O)O)c1ccccc1O 104477073 LHHUOMPJAWCFOJ-JTQLQIEISA-N 195.218 1.041 10 10 ADCE CC(C)[C@@H](N)c1cc(N)ccc1O 104581246 WTJAUNMVMBQONX-SNVBAGLBSA-N 180.251 1.630 10 10 ADCE C[C@@H]1CC(=O)c2ccc(O)c(O)c2O1 137707212 NCFSJWPMDRIWGD-RXMQYKEDSA-N 194.186 1.452 10 10 ADCE CC(=O)OC[C@H]1OCC=C[C@H]1N=[N+]=[N-] 238167615 JZKSAACHSLYFQF-HTQZYQBOSA-N 197.194 1.183 10 10 ADCE CCOC(=O)/C(=C/O)c1ccccn1 238291450 BJTCGONZEUGSIW-BQYQJAHWSA-N 193.202 1.544 10 10 ADCE N[C@@H]1CCc2cc(F)cc(O)c21 238637793 UURWUBBNPUJKOK-SSDOTTSWSA-N 167.183 1.477 10 10 ADCE C[C@@H]1COCCCN1CCN=[N+]=[N-] 306768204 DJNURJAGVMXDPX-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE COC[C@@H](O)CCc1ccc(N)cc1 695777985 LINGRKSYKXFJAJ-NSHDSACASA-N 195.262 1.209 10 10 ADCE NCC1(Oc2ccc(N)cc2)CCC1 1896268176 CSNZZDWQPXKTDT-UHFFFAOYSA-N 192.262 1.529 10 10 ADCE O=C1CCCCC(F)(F)C1=O 1932349313 AXFVJJHUJJWXSU-UHFFFAOYSA-N 162.135 1.334 10 10 ADCE CO[C@@H](C)CCN=[N+]=[N-] 1951349932 FRTFTMKUWQWYED-YFKPBYRVSA-N 129.163 1.722 10 10 ADCE CC(=O)C(=O)c1cncc(C)c1 1951925188 TWIFPUDVEVCHAJ-UHFFFAOYSA-N 163.176 1.162 10 10 ADCE [N-]=[N+]=NCCCCN1CCCN1 1953752457 TVUUSLUEAODKAP-UHFFFAOYSA-N 169.232 1.287 10 10 ADCE CNCCC=Cc1ncc(Cl)n1C 1953807806 UMOGDBMNMZZQHK-UHFFFAOYSA-N 199.685 1.696 10 10 ADCE CCNCCN(C)CCCCN=[N+]=[N-] 1957249598 LRXMXLDLOMCAHT-UHFFFAOYSA-N 199.302 1.618 10 10 ADCE CC[C@@]1(C)O[C@](C)(CC)C(=[N+]=[N-])C1=O 37629713 YKTJFEOTQLVWAH-NXEZZACHSA-N 196.250 1.594 10 10 ADCE C[S@@](=O)Cc1ccc(N)cc1 40971960 ZHPRIDXERKSLCY-NSHDSACASA-N 169.249 1.147 10 10 ADCE Oc1cc(O)c2cccc(O)c2c1O 62720001 JNLWKNHLUVQHPV-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE in-vitro CCOC(=N)CN=[N+]=[N-] 164632388 MWTTYDVETNPYAW-UHFFFAOYSA-N 128.135 1.310 10 10 ADCE O=C(O)/C=C\Sc1nccs1 204287467 MQLONYFTFGXQHS-IWQZZHSRSA-N 187.245 1.834 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)N[C@H]1C1CCCCC1 221516494 AYBBHVYVBSYBPP-YUMQZZPRSA-N 194.238 1.744 10 10 ADCE C[C@@H](O)c1cc(O)c(O)c(F)c1 222574335 HOVHAESDDNEWEX-SCSAIBSYSA-N 172.155 1.290 10 10 ADCE C[C@@H]1OC=C[C@@](C)(O)[C@@H]1N=[N+]=[N-] 238409017 JXTJQBXFKXERDL-RRKCRQDMSA-N 169.184 1.349 10 10 ADCE CC(=O)[C@H](C)C(C)=S 238416298 DYXGHLIPCVDWKL-BYPYZUCNSA-N 130.212 1.601 10 10 ADCE Oc1ccc(C(F)F)c(O)n1 238713720 QZBIIBAETWRUJW-UHFFFAOYSA-N 161.107 1.430 10 10 ADCE [N-]=[N+]=N[C@@H](O)C(Cl)(Cl)Cl 238714521 AKZIXRITIFOHMO-SFOWXEAESA-N 190.417 1.985 10 10 ADCE Cc1cc(O)c(O)c(Cl)c1CN 258147819 TVDWXCCNUCEKHV-UHFFFAOYSA-N 187.626 1.518 10 10 ADCE ONCc1cc(C(F)F)ccc1O 258214342 ZTXKZVXJZLVHID-UHFFFAOYSA-N 189.161 1.809 10 10 ADCE C[C@@H](O)CCc1cccc(O)c1O 1535735555 MSPMSAQIVDAZEC-SSDOTTSWSA-N 182.219 1.411 10 10 ADCE C[C@](N)(c1ccccc1O)C(F)F 1536106970 MUIJPEVVVSCLAW-VIFPVBQESA-N 187.189 1.831 10 10 ADCE C[C@H](O)CN1CCC(N=[N+]=[N-])CC1 1912150183 PVSLECXTYORAPD-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE C[C@@H]1N(CCN=[N+]=[N-])C(=O)CC1(C)C 1912155534 LKIOFVYGWAQWJZ-ZETCQYMHSA-N 196.254 1.944 10 10 ADCE C[C@@H]1CCN[C@@H]1CN=[N+]=[N-] 1912174612 BOQDSVCEDZZSCC-PHDIDXHHSA-N 140.190 1.295 10 10 ADCE CCON(CC)CCCN=[N+]=[N-] 1912193250 CPMWZTDGFXLLQK-UHFFFAOYSA-N 172.232 1.960 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)C1CCCCC1 1929124810 QRKKQKXGKFPXQF-NSHDSACASA-N 198.262 1.476 10 10 ADCE CSC[C@H](N)c1cccc(O)c1O 1952245287 QENSUPBHJNESRP-ZETCQYMHSA-N 199.275 1.461 10 10 ADCE C[C@@H]1C(C(=O)N2CC(N=[N+]=[N-])C2)[C@H]1C 1955680709 VSJCZMRHMJTVHT-WDSKDSINSA-N 194.238 1.410 10 10 ADCE CC[C@@H](N)[C@@H](NC)c1ccccc1O 1956163790 GHMVKGYTFIUFDR-KOLCDFICSA-N 194.278 1.390 10 10 ADCE Oc1ccccc1[C@@H]1COCCCN1 82892708 JGTNTCVMMXTPSW-JTQLQIEISA-N 193.246 1.443 10 10 ADCE COC[C@H]1CNc2ccccc2N1 88002004 ODBSDBZKZCJAPM-MRVPVSSYSA-N 178.235 1.539 10 10 ADCE Oc1cccc2c1[C@H](C(F)F)NCC2 219904213 SKRZKADCMATLGS-SECBINFHSA-N 199.200 1.844 10 10 ADCE COc1cc2cnncc2c(O)c1O 238405831 VUNGUHMVDYSXPL-UHFFFAOYSA-N 192.174 1.050 10 10 ADCE Cc1cc(N)c(O)c(C2(N)CC2)c1 238471384 UXCWPXTXXUNRQJ-UHFFFAOYSA-N 178.235 1.231 10 10 ADCE Cn1c(Cl)nc2ccc(O)c(O)c21 238535031 HDWDHKFPXZBIDJ-UHFFFAOYSA-N 198.609 1.638 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 238686990 NHFMRRHYBQCFBW-JBDRJPRFSA-N 181.239 1.951 10 10 ADCE CC[C@@H](O)[C@H](N)c1cc(F)ccc1O 307660579 CJOSHNZBXQHVOR-PSASIEDQSA-N 199.225 1.302 10 10 ADCE CN(C)N=Nc1ccc(O)cc1 394941196 XPWWDNTYZOVORS-UHFFFAOYSA-N 165.196 1.953 10 10 ADCE C[C@H](O)[C@@H]1CCCN1CCCN=[N+]=[N-] 1890519691 KTWCOUSHKXBTIJ-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC2CCC1CC2 1929230165 FZODXXAQWMIGTC-AMUVOQDHSA-N 196.246 1.086 10 10 ADCE O=C(O)C=CCc1ccc(O)c(O)c1 1951355096 WNEKPPDUDOXHGE-UHFFFAOYSA-N 194.186 1.281 10 10 ADCE [N-]=[N+]=NCCc1ccc(O)nn1 1951396254 IESJVNBUKSCNPU-UHFFFAOYSA-N 165.156 1.035 10 10 ADCE CC(=O)[C@@H](N)c1cccc(Cl)c1O 1951974138 ZJVJNHLXEKQPNW-MRVPVSSYSA-N 199.637 1.634 10 10 ADCE C[C@H](CO)NCc1ccc(F)cc1O 1964554272 ZIDXXVWDGLDMNP-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE OCc1cc(O)c(O)c(Cl)c1 21951541 KOJWRBCRDKOJEY-UHFFFAOYSA-N 174.583 1.244 10 10 ADCE CC(C)S(=O)(=O)CCCN=[N+]=[N-] 42416555 HVRUYNDBWHCORA-UHFFFAOYSA-N 191.256 1.510 10 10 ADCE N[C@@H](CC(=O)O)c1ccc(F)cc1O 44219979 NRFRMQNEWZQVAC-ZETCQYMHSA-N 199.181 1.006 10 10 ADCE Cc1ccn(CCN=[N+]=[N-])c(=O)c1 61909555 KCOGVEDMDBDGGW-UHFFFAOYSA-N 178.195 1.467 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccccn1 108433161 QPHWQAHNQHJVJT-UHFFFAOYSA-N 162.152 1.575 10 10 ADCE CON[C@@H](C)c1ccc(F)cc1O 134240168 QEXYLDOUXXGPCW-LURJTMIESA-N 185.198 1.743 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1ccncc1 196749661 IAQSOQOJWSRKKP-UHFFFAOYSA-N 184.180 1.081 10 10 ADCE CC[C@@H](NC(C)=O)c1ccccc1O 238300040 RNQSUOMEQZBOGS-SNVBAGLBSA-N 193.246 1.979 10 10 ADCE C[C@@H](CCN=[N+]=[N-])c1nc(CO)co1 238437860 ATESPRHVAQRPCI-LURJTMIESA-N 196.210 1.971 10 10 ADCE Nc1cc(C2(N)CCC2)c(O)cc1F 238590408 IMGAUONCLWSCRD-UHFFFAOYSA-N 196.225 1.451 10 10 ADCE NCCCCc1ccc(F)c(O)c1O 258195531 SCWYPFZWFRALGO-UHFFFAOYSA-N 199.225 1.518 10 10 ADCE Nc1ccc2sc(N)c(O)c2c1 306697599 ZUAUSSIRSYOEHM-UHFFFAOYSA-N 180.232 1.771 10 10 ADCE C/C(N=[N+]=[N-])=C1/CCOC1=O 383708275 WMAHOCUGBBHKJN-SNAWJCMRSA-N 153.141 1.518 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C1=O 399697514 VGQOAKOLZGKMPO-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE COc1nscc1CN=[N+]=[N-] 712073260 OQHYNBBKGBZXMU-UHFFFAOYSA-N 170.197 1.962 10 10 ADCE CC[C@H](O)C(=O)[C-]1C(C)=C=S=C1C 885912376 HQPREYCXSVBCLH-QMMMGPOBSA-N 197.279 1.187 10 10 ADCE CCN1CCc2cc(CNO)ccc21 1535711416 IWAZRRXTDLRWCU-UHFFFAOYSA-N 192.262 1.548 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC2(CCOCC2)O1 1882953905 HLMBOPZVGPCSQG-ZETCQYMHSA-N 183.211 1.635 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H]1C[C@H]2CCO[C@H]21 1884078200 HVVJVBQUKIKTQK-VGRMVHKJSA-N 183.211 1.083 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)[C@H]1C1CC1 1887032411 NCPRWOFMAWKDPA-DTWKUNHWSA-N 196.254 1.142 10 10 ADCE Cc1cc(CO)ccc1N1CC(F)C1 1916989079 ZLHZXQKEECLBHT-UHFFFAOYSA-N 195.237 1.645 10 10 ADCE CC[C@@](N)(COC)c1ccccc1O 1928476843 NJQWXXPVNGLOQN-LLVKDONJSA-N 195.262 1.603 10 10 ADCE C[C@H](O)[C@H](C)NCc1ccc(N)cc1 1929714286 XLBCYGKFILGCAE-IUCAKERBSA-N 194.278 1.128 10 10 ADCE CC(=O)C(=O)c1cc(C)cc(F)c1 1951322494 JDEJYNTXZMWEQH-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE Oc1ccc(F)cc1[C@H]1NCC[C@@H]1F 1952818402 GTWHYOJFMQXDOW-WCBMZHEXSA-N 199.200 1.904 10 10 ADCE CCOc1cc(C(C)=O)cc(O)c1O 2054913073 PXLWCUZNZQLOAE-UHFFFAOYSA-N 196.202 1.699 10 10 ADCE C[C@H](CF)N(C)CCN=[N+]=[N-] 2241734378 VIAGUCPWKHKFRK-ZCFIWIBFSA-N 160.196 1.587 10 10 ADCE COc1ccc(Cl)c(CN)c1O 212094342 RSCCCKKTVKBTII-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)N[C@H]1c1ccco1 214951308 ZTAQTFTVVXXLDX-WDSKDSINSA-N 178.151 1.129 10 10 ADCE C[C@H]1NCc2cccc(O)c21 219202670 LNOUGLKOYYQRIG-ZCFIWIBFSA-N 149.193 1.556 10 10 ADCE CC(C)(N)c1c(F)ccc(N)c1O 238146967 ABDNGDRNVRYSPP-UHFFFAOYSA-N 184.214 1.307 10 10 ADCE CCC[C@@H](N=[N+]=[N-])[C@H]1CO1 238244119 WEWJNMFZZBDNRJ-PHDIDXHHSA-N 141.174 1.864 10 10 ADCE C[C@@H]1O[C@@H]1CN=[N+]=[N-] 238418775 FPEMDAKNKAUEKQ-IUYQGCFVSA-N 113.120 1.084 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CC2(C1)OCCO2 238534151 PVYJTIZTIGUEAR-ZCFIWIBFSA-N 167.168 1.368 10 10 ADCE O=C1CSc2cc(O)c(O)cc2N1 238723514 OCBNAMZEIGBFSO-UHFFFAOYSA-N 197.215 1.142 10 10 ADCE Oc1cc2nnsc2cc1O 238725378 FQVIMMNRNXUBHS-UHFFFAOYSA-N 168.177 1.103 10 10 ADCE Cc1cc(CCN)c(F)c(O)c1O 257994108 FWSURUSZBYSXPF-UHFFFAOYSA-N 185.198 1.047 10 10 ADCE CC(C)(N)Cc1cccc(O)c1O 258095854 XFEQHJOOCPWEEK-UHFFFAOYSA-N 181.235 1.378 10 10 ADCE Cc1ccc([C@H](C)NC(=N)N)c(O)c1 306617093 QRJZECAJXOWKMR-ZETCQYMHSA-N 193.250 1.245 10 10 ADCE Cc1nnsc1CN=[N+]=[N-] 307132461 VOYYGOZMSRQXLF-UHFFFAOYSA-N 155.186 1.657 10 10 ADCE CC[C@H]1CCO[C@@H](CN=[N+]=[N-])N1 885319348 UMLNHMWEDIUVJW-BQBZGAKWSA-N 170.216 1.411 10 10 ADCE Cc1c([C@H](CO)N=[N+]=[N-])cnn1C 1535834030 VKKOKEJKLXCHMA-ZETCQYMHSA-N 181.199 1.072 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@@H]2COC[C@@H]21 1880066745 LYRPEOMHEYYJHK-FPFOFBBKSA-N 139.158 1.189 10 10 ADCE C[C@@H](CCN)Oc1ccc(N)cc1 1883787049 UVDSFYVRZKDVEN-QMMMGPOBSA-N 180.251 1.385 10 10 ADCE C[C@@H](Oc1ccc(N)cc1)C(C)(C)O 1893610206 VLGJMGPSVGHJHX-MRVPVSSYSA-N 195.262 1.807 10 10 ADCE C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912155560 LRYHNKGOHLGLJY-PRJMDXOYSA-N 194.238 1.554 10 10 ADCE [N-]=[N+]=N[C@H]1CCN([C@@H]2CCC[C@H]2O)C1 1912181903 UPQVDBBYTKCMPQ-DJLDLDEBSA-N 196.254 1.284 10 10 ADCE CC(C)(C)N1C[C@H](O)[C@@H](N=[N+]=[N-])C1 1935168125 UQMKXBOJGHRYFR-BQBZGAKWSA-N 184.243 1.140 10 10 ADCE c1cc(N2N[C@H]3CC[C@H]2C3)ns1 1953566946 SYJZWABWOCJUDR-BQBZGAKWSA-N 181.264 1.389 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)N1 1957246525 BRVIUHPZPWCHTE-DTORHVGOSA-N 197.286 1.369 10 10 ADCE CCc1cc(O)c(N)s1 2080415211 WMUHHZCDCKXGIA-UHFFFAOYSA-N 143.211 1.598 10 10 ADCE CCc1nonc1CN=[N+]=[N-] 2242236742 DGXPEBSEKBCCLQ-UHFFFAOYSA-N 153.145 1.442 10 10 ADCE [N-]=[N+]=NCCSCCO 42416446 ZSOHUITWHZATGQ-UHFFFAOYSA-N 147.203 1.022 10 10 ADCE [N-]=[N+]=NCCN1CCn2ccnc2C1 62255713 VFSLVCABVDRGTR-UHFFFAOYSA-N 192.226 1.009 10 10 ADCE Oc1ccccc1CNc1ncn[nH]1 83341539 PPLDGTWVDCEAHP-UHFFFAOYSA-N 190.206 1.122 10 10 ADCE COc1ccccc1/[N+]([O-])=N/C#N 105359402 HEDFRELSKJTEFI-KHPPLWFESA-N 177.163 1.770 10 10 ADCE CCc1ccc(C)c(O)c1O 204155539 WVRWBYUJPWRFQO-UHFFFAOYSA-N 152.193 1.969 10 10 ADCE CSc1ncc([C@@H](C)O)s1 212640128 VTHOHPUVHKSIJL-SCSAIBSYSA-N 175.278 1.918 10 10 ADCE CC(C)(C)[C@@H](N)CN=[N+]=[N-] 238134265 XCDIBJOMRXZPMO-YFKPBYRVSA-N 142.206 1.670 10 10 ADCE COC(=O)N(C)Cc1ccccc1O 383753714 QKOAMZRQCTXNFJ-UHFFFAOYSA-N 195.218 1.590 10 10 ADCE C[C@H]1CCN1CCN=[N+]=[N-] 575563372 YRLSPAVIHLRGPB-LURJTMIESA-N 140.190 1.391 10 10 ADCE CC[C@H](C)N1CCC(=O)[C@H]1CN=[N+]=[N-] 712062356 MUYIRFXAURSDIE-JGVFFNPUSA-N 196.254 1.739 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2F)C1 1884717290 FPLZVDQVAQNQEQ-QYNIQEEDSA-N 198.201 1.256 10 10 ADCE CCNC1CN(c2ccc(N)cc2)C1 1888905637 RHLOWDWTOUNHDD-UHFFFAOYSA-N 191.278 1.067 10 10 ADCE CC[C@H](N)[C@@H](C)Oc1ccc(N)cc1 1896245902 MIIKPAPEYHAMHY-KCJUWKMLSA-N 194.278 1.773 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CCCCO)C1 1912163588 LJNFZNVBRYNLIN-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE Cn1ccnc1C=C1CCNC12CC2 1925699266 CATXCLBFVYQAHO-UHFFFAOYSA-N 189.262 1.329 10 10 ADCE N[C@H](c1ccccc1O)[C@H]1CCCO1 1928472261 ZJNHCUKUMVGPPZ-GHMZBOCLSA-N 193.246 1.571 10 10 ADCE CC1(C)CO[C@H]1CN1CC(N=[N+]=[N-])C1 1955397047 FKRZFZVIAMFZLK-QMMMGPOBSA-N 196.254 1.406 10 10 ADCE CN(C(=O)NCCN=[N+]=[N-])C1CC1 1964004886 QCPPLNYIUIIDKM-UHFFFAOYSA-N 183.215 1.101 10 10 ADCE CNC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209151905 NDNJYTHSAMVWDF-WDSKDSINSA-N 183.215 1.147 10 10 ADCE C[C@H]1C[C@H]1NCc1ccc(O)c(O)c1 52269985 YEXNWPOZMSETPF-IONNQARKSA-N 193.246 1.596 10 10 ADCE Nc1ccc(Nc2nncs2)cc1 69965558 XFESSTOQRHWVEZ-UHFFFAOYSA-N 192.247 1.864 10 10 ADCE CCCc1ccc(O)c([C@@H](N)CO)c1 72197758 DGNBCEOVNIHCBM-JTQLQIEISA-N 195.262 1.337 10 10 ADCE C[C@H](N)c1c(F)ccc(F)c1O 95706479 ISOLZAOJTHHHSR-BYPYZUCNSA-N 173.162 1.690 10 10 ADCE CN1CC[C@H](Oc2ccc(N)cc2)C1 113279386 ICTGXNILNPWNLH-NSHDSACASA-N 192.262 1.352 10 10 ADCE Nc1ccc(OC2COCOC2)cc1 113368240 FLTFUUQOJUMDCL-UHFFFAOYSA-N 195.218 1.021 10 10 ADCE CC(C)NCc1cc(N)ccc1O 113868509 MHKCKFXELRFGOH-UHFFFAOYSA-N 180.251 1.472 10 10 ADCE C[C@@H](NN(C)C)c1cc(F)ccc1O 134207837 ZRHPSWFMYOUXJV-SSDOTTSWSA-N 198.241 1.659 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCCC[C@@H]1O 166881442 RWWBSKQVLYLVEH-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE CN(C)CCC[C@H](N=[N+]=[N-])C(=O)O 238302781 RYFDFUDFESRWFO-LURJTMIESA-N 186.215 1.092 10 10 ADCE Cc1cc(/C=C/CN)c(F)c(O)c1O 258155605 URESNXACLDVYMJ-NSCUHMNNSA-N 197.209 1.517 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2COC[C@@H]2O1 724626649 INAGFGCKUKINLN-VQVTYTSYSA-N 169.184 1.101 10 10 ADCE NC[C@H]1C[C@@H]1c1cccc(O)c1O 1535734462 MACDEFLZXXWBNT-SVRRBLITSA-N 179.219 1.160 10 10 ADCE Nc1ccc(NC[C@@H]2CCCN2)cc1 1888905586 QOBWNVOZOZBMIF-NSHDSACASA-N 191.278 1.433 10 10 ADCE [N-]=[N+]=NCCN(CC1CC1)C1COC1 1890831955 BUJOIKDNBZLVDO-UHFFFAOYSA-N 196.254 1.408 10 10 ADCE CCC(C)(C)C(=O)N1CC(N=[N+]=[N-])C1 1912177819 KSZCPOAKAQIDMF-UHFFFAOYSA-N 196.254 1.944 10 10 ADCE C[C@@H]1C[C@@H]1[C@@H](NN)c1ccccc1O 1928480139 DXRQJHQYQPJEPX-HDBBIHSSSA-N 192.262 1.553 10 10 ADCE CCCOC1CN(CCN=[N+]=[N-])C1 1954388384 GEBCDFJXJIQMNQ-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC[C@@H](N)[C@@H](N=[N+]=[N-])c1cnn(C)c1 1956947298 NXDHDOGSGDPMEB-SFYZADRCSA-N 194.242 1.509 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C(C)(C)CN1 1957244346 PLZSUDCHDSPMII-QMMMGPOBSA-N 197.286 1.369 10 10 ADCE CC=C(C)C(=O)NCCN=[N+]=[N-] 1963809779 VNYPZTPAODGSFY-UHFFFAOYSA-N 168.200 1.379 10 10 ADCE C[C@H](O)[C@@H](C)N=[N+]=[N-] 4748473 SYJYCKNUUFGZBU-DMTCNVIQSA-N 115.136 1.066 10 10 ADCE C[C@H](NC1CC1)c1ccc(O)cc1O 22149305 GJUXEXSXDOKFSU-ZETCQYMHSA-N 193.246 1.911 10 10 ADCE [N-]=[N+]=NC(F)(F)C(F)(F)C(=O)O 34099483 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CN(CC1(O)CC1)c1ccc(N)cc1 1889093792 KXAQXFZTJGHHTF-UHFFFAOYSA-N 192.262 1.230 10 10 ADCE CO[C@@H](CN=[N+]=[N-])[C@H]1CCCOC1 1912184365 YHPFFZOZHXZEEV-YUMQZZPRSA-N 185.227 1.738 10 10 ADCE CCOc1c(C(=O)O)ccc(O)c1O 2054916997 FABYCDXKYNKJCP-UHFFFAOYSA-N 198.174 1.195 10 10 ADCE CC(=O)C(=O)c1ccc(F)c(C)c1 58519435 PAJAMSAEIGQPTK-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE COCCC[S@](=O)CCN=[N+]=[N-] 82630015 YDAILVPCUVSKBX-GFCCVEGCSA-N 191.256 1.082 10 10 ADCE C/N=N/[C@H](NC)C(C)C 104616418 ZMUQUEMCPWVSRK-XUMAMVKVSA-N 129.207 1.270 10 10 ADCE C[C@@H](N)CCCN=[N+]=[N-] 196690849 JDBRPMVEIYCAHK-RXMQYKEDSA-N 128.179 1.424 10 10 ADCE COc1ccc(F)c(C2(N)CC2)c1O 214872863 KCSBROCJSKFADB-UHFFFAOYSA-N 197.209 1.488 10 10 ADCE CC(C)(C)[C@@H](N=[N+]=[N-])[C@@H](O)CO 238144587 MZRWLBOMBLXCME-WDSKDSINSA-N 173.216 1.065 10 10 ADCE CC(=O)C(=O)[C@H](C)[C@@H](C)C(C)=O 238475757 XLHLJIDEHJSKET-PHDIDXHHSA-N 170.208 1.006 10 10 ADCE N[C@@H]1CCc2ccc(F)c(O)c21 238640679 IDGPAPUYUCMTTE-SSDOTTSWSA-N 167.183 1.477 10 10 ADCE Nc1ccc(CNC2CC2)c(O)c1 258076072 HUWNEDUDOJOMMO-UHFFFAOYSA-N 178.235 1.226 10 10 ADCE S=C1NNC[C@H]2CCCC[C@H]12 307461535 JAYDGFDGPZZMFY-RQJHMYQMSA-N 170.281 1.228 10 10 ADCE [N-]=[N+]=NCCNC(=O)OC1CCC1 322151630 DZGVSZZUYGIESJ-UHFFFAOYSA-N 184.199 1.575 10 10 ADCE COc1cccc(CCN=[N+]=[N-])n1 1535838249 BUTTZWHQUSVXQK-UHFFFAOYSA-N 178.195 1.943 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H](C1)O2 1883759226 IIMBXGIIQXPDQQ-OCAPTIKFSA-N 182.227 1.160 10 10 ADCE Cn1ccnc1C=C1CCN[C@H]2C[C@H]12 1884996316 PBJGLWGNUVAWPH-ZJUUUORDSA-N 189.262 1.185 10 10 ADCE CC[C@](C)(O)CN1CC[C@H](N=[N+]=[N-])C1 1912208035 OUSOBASHIXLNMW-IUCAKERBSA-N 198.270 1.532 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@]1(C)CN 1957244689 RQNAQWMBFFREPZ-RKDXNWHRSA-N 197.286 1.213 10 10 ADCE CN(O)/N=N/c1ccc(C(N)=O)cc1 28000455 TZAVKUPEOLJMDE-ZHACJKMWSA-N 194.194 1.105 10 10 ADCE Oc1ccc(F)c(F)c1O 34115254 HLXWLHRCFGKDNS-UHFFFAOYSA-N 146.092 1.376 10 10 ADCE C[C@@H]1OCc2c(ccc(O)c2O)C1=O 40952227 XMPDGGPOGJOFIJ-YFKPBYRVSA-N 194.186 1.199 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1CCCC1 42012136 RWNSWQFUNNLCAH-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE COC[C@H](C)OCc1ccc(N)cc1 69735052 AQCDJFHFAGLXDZ-VIFPVBQESA-N 195.262 1.820 10 10 ADCE CN(C)c1ccc(CN)c(F)c1 75844822 GLLZUCBGNVSAKG-UHFFFAOYSA-N 168.215 1.350 10 10 ADCE CC(C)OC(=O)CN=[N+]=[N-] 104703394 LIAQWMMMURSPPX-UHFFFAOYSA-N 143.146 1.248 10 10 ADCE CC[C@@](C)(N)c1cccc(OC)c1O 107185065 MCFLSGDVZLEFNG-LLVKDONJSA-N 195.262 1.985 10 10 ADCE Cc1cccc2c1/C(=C/O)C(=O)N2 168531675 UALFVGAUFYTZSV-ALCCZGGFSA-N 175.187 1.846 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]([C@@H]2CO2)CC[C@H]1O 196660322 QYSWKBRXNGUAAZ-XUTVFYLZSA-N 183.211 1.225 10 10 ADCE NCc1cc(CF)ccc1O 211959212 DLKGAEXVSDWHPF-UHFFFAOYSA-N 155.172 1.320 10 10 ADCE CC(C)[C@H](N)c1ccc(O)c(F)c1O 238179501 SQNBKIPNHOSOCV-VIFPVBQESA-N 199.225 1.893 10 10 ADCE CCCCC[C@@H](O)[C@H](O)CN=[N+]=[N-] 238216977 CIKCIXHRMZGUFK-HTQZYQBOSA-N 187.243 1.599 10 10 ADCE COC[C@@H]1CC[C@@H](O)[C@@H](N=[N+]=[N-])C1 238331678 BQUIOKBNYCHMEN-GJMOJQLCSA-N 185.227 1.473 10 10 ADCE COc1ccc(O)c2c1OCC[C@@H]2N 238381356 HDRLONKNXHTIAX-LURJTMIESA-N 195.218 1.183 10 10 ADCE COC[C@H]1OC=C[C@@H](OC)[C@@H]1N=[N+]=[N-] 238386329 WMQFCYQYPZOTNA-PRJMDXOYSA-N 199.210 1.239 10 10 ADCE C[C@H](N)c1cc(O)cs1 238423336 PTEDCGOFYFMPLE-BYPYZUCNSA-N 143.211 1.473 10 10 ADCE COc1ccc(N(C)CN)cc1F 258814888 FRHOXIUSBJUVEO-UHFFFAOYSA-N 184.214 1.187 10 10 ADCE CCOc1ccc(N(C)CO)cc1C 258839906 CDSFDPISYMOSRW-UHFFFAOYSA-N 195.262 1.780 10 10 ADCE CC(C)[S@@](=O)Nc1ccc(N)cc1 306810483 URYNSRJJKGVWDZ-CYBMUJFWSA-N 198.291 1.753 10 10 ADCE [N-]=[N+]=N[C@@H]1CS[C@@H]2CCC(=O)N[C@H]12 307264278 BOJFTZAKBIVDIB-WYDQCIBASA-N 198.251 1.059 10 10 ADCE C[C@@H]1C[C@H](Nc2ccc(N)cc2)CO1 402093737 KMJJVLZWGDAQBR-KCJUWKMLSA-N 192.262 1.858 10 10 ADCE C[C@H]1C[C@@H]1CCC(=O)NCCN=[N+]=[N-] 1889145032 SCECLAZCUYVFCV-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2COCC[C@@H]2O1 1912148778 XMABTBACZWTPAH-CSMHCCOUSA-N 183.211 1.491 10 10 ADCE C[C@H]1O[C@@H](CN=[N+]=[N-])NCC1(C)C 1912207508 OSEKDOZYXJAAFV-RQJHMYQMSA-N 184.243 1.657 10 10 ADCE COCCC[C@H](N)c1ccccc1O 1928471881 MCLXEWGYVBQUHV-JTQLQIEISA-N 195.262 1.819 10 10 ADCE Cc1nnsc1CCN=[N+]=[N-] 1951325637 HYDHSJKALKOUKJ-UHFFFAOYSA-N 169.213 1.699 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCNC(=O)C1 1951357629 KOWKHVGLNAKSKL-LURJTMIESA-N 168.200 1.213 10 10 ADCE C[C@@]1(CN)C[C@@H]1c1cccc(O)c1O 1952244954 OJCNFYAFPPKGFY-KCJUWKMLSA-N 193.246 1.550 10 10 ADCE CN(C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209521945 YOFQBEHEBQSQSJ-RNFRBKRXSA-N 197.242 1.489 10 10 ADCE Cc1cc(O)c2c(c1)C(=O)CCC2=O 14592453 KZQCBBYGLMOAMI-UHFFFAOYSA-N 190.198 1.860 10 10 ADCE CC(=O)C(=O)c1ccccc1O 39410337 WGDIJJPZLBCVJY-UHFFFAOYSA-N 164.160 1.164 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC=CCC1 42012406 WCVADGCFIYLKSR-MRVPVSSYSA-N 194.238 1.769 10 10 ADCE CC(C)(C)NCc1cc(O)ccc1O 83342290 MOODTDJIIRWPJW-UHFFFAOYSA-N 195.262 1.986 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)O[C@@H]2C=CC[C@H]12 138053405 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1912175298 KLJJPKUEHWQYSE-VIFPVBQESA-N 198.270 1.534 10 10 ADCE CN[C@H](c1ccccc1O)[C@@H](C)OC 1928472708 SYEMTFBZTHIIND-KCJUWKMLSA-N 195.262 1.688 10 10 ADCE CN1CCN(CCCN=[N+]=[N-])[C@H]2C[C@@H]21 1956636130 GWJHEFMNXBTLRY-IUCAKERBSA-N 195.270 1.075 10 10 ADCE Oc1cc(F)ccc1CN1CCC1 2241771408 ISZPCDOPBQZNHC-UHFFFAOYSA-N 181.210 1.737 10 10 ADCE NCCSc1nccs1 39134732 ZWDHFPMWMBMBKV-UHFFFAOYSA-N 160.267 1.194 10 10 ADCE CC[C@@]1(OC)C=C[C@@H](OC)O1 39343435 IAFCIPIBKATVRC-YUMQZZPRSA-N 158.197 1.298 10 10 ADCE [N-]=[N+]=NCCN1CCO[C@@H]2CCC[C@H]21 43427185 KRIJMTCCUFIJJQ-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE Oc1csc2c1CNCC2 106168527 UEXXHZFTGLXFLK-UHFFFAOYSA-N 155.222 1.099 10 10 ADCE NCC(=O)c1sc(C2CC2)cc1O 108308031 FDDULMFPAQAKPS-UHFFFAOYSA-N 197.259 1.473 10 10 ADCE CC[C@H](CC(=O)O)N=[N+]=[N-] 142032831 UFJDQTDVINVPBC-SCSAIBSYSA-N 143.146 1.550 10 10 ADCE C[C@@H]1NCCc2cc(F)cc(O)c21 212922249 VSDHUHXRFPIOHJ-LURJTMIESA-N 181.210 1.738 10 10 ADCE CN1C(=O)N(C)[C@H](N=[N+]=[N-])[C@H]1N=[N+]=[N-] 238337971 ZMXXEIWINSKMFO-IMJSIDKUSA-N 196.174 1.256 10 10 ADCE C[C@H](N)c1ccc(N)c(F)c1O 238427667 XGHXCLRIQRRZJM-BYPYZUCNSA-N 170.187 1.133 10 10 ADCE C[C@@H](O)[C@H](N)c1ccc(S)cc1O 238457456 HXMBEABSPSCFFL-ANLVUFKYSA-N 199.275 1.062 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H](C(=O)O)C1 238685543 DFFGFVLWRXEXJU-NTSWFWBYSA-N 169.184 1.940 10 10 ADCE C[C@H]1COC[C@H]1Nc1ccccc1N 699495489 ABDWOLQPSKTKKZ-GZMMTYOYSA-N 192.262 1.716 10 10 ADCE C[C@H](N=O)c1c(O)cccc1O 701706184 RNDRGJHCHVITAJ-YFKPBYRVSA-N 167.164 1.925 10 10 ADCE N[C@@H]1CC(=O)c2cc(F)cc(O)c21 713749468 OUDWPYBRGAGZMA-ZCFIWIBFSA-N 181.166 1.118 10 10 ADCE CC[C@@]1(C)COC[C@@H](CN=[N+]=[N-])O1 958692352 VTHLYUUHCPJCEG-SFYZADRCSA-N 185.227 1.881 10 10 ADCE C[C@H](N)CCc1ccc(O)c(O)c1O 1535834566 XTHWLHFRMZABIQ-LURJTMIESA-N 197.234 1.083 10 10 ADCE Nc1ccc(CCN[C@H]2C[C@@H]2F)cc1 1887538299 UVFKEUFCIQVRPW-QWRGUYRKSA-N 194.253 1.511 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@@]2(N)C1 1895273773 VGJYYSCPRNRURL-RKDXNWHRSA-N 195.270 1.110 10 10 ADCE C[C@@]1(CO)C[C@@H]1c1ccc(O)c(O)c1 1951962325 NJNIYOIEWSYFEM-KCJUWKMLSA-N 194.230 1.584 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@H]1CCCOC1 1953414318 MKYILKSPRMWWKZ-NKWVEPMBSA-N 171.200 1.084 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@H](C1)N2 1957243920 JQLLHDSNXQTEHQ-DTORHVGOSA-N 195.270 1.123 10 10 ADCE Cc1cc(Cl)cc(CN)c1O 29220646 LJAUEQNEDHTITE-UHFFFAOYSA-N 171.627 1.813 10 10 ADCE C[C@@H](N)CCN=[N+]=[N-] 34566535 XTJIUFCYVJFBTH-SCSAIBSYSA-N 114.152 1.034 10 10 ADCE S=C1C=Cc2[nH]c(=S)[nH]c21 39132968 TWQWKLDIIYZKDO-UHFFFAOYSA-N 168.246 1.817 10 10 ADCE CON(C)CCCc1ccc(N)cc1 165546787 CTSWJAXDJWDRCW-UHFFFAOYSA-N 194.278 1.695 10 10 ADCE C[C@@H](NC1CNC1)c1ccccc1O 215965080 CSMQHLFXFFRFGP-MRVPVSSYSA-N 192.262 1.015 10 10 ADCE CC[C@@H]1NC(=O)c2cccc(O)c21 221270232 IUAYALHLMOGYEB-ZETCQYMHSA-N 177.203 1.587 10 10 ADCE COc1c(O)ccc(O)c1[C@@H](C)N 238435401 QURLPYJHOFSZFG-RXMQYKEDSA-N 183.207 1.126 10 10 ADCE Oc1cc([C@@H]2CCCCN2)cc(O)n1 238721013 AGMZMZDEZRDBKA-QMMMGPOBSA-N 194.234 1.307 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@@H]2C[C@@H]3OC[C@H]1[C@@H]3O2 306793373 BHJZBOIKRUZJSL-HEIBUPTGSA-N 181.195 1.099 10 10 ADCE CC1(C)[C@@H](O)CCN1CCN=[N+]=[N-] 307065952 JHVICTNLVSRLLS-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE CCCOC(=O)NCCCN=[N+]=[N-] 308199163 TYOKPFFHKSUYMV-UHFFFAOYSA-N 186.215 1.823 10 10 ADCE CN(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 692882746 AVLBPFFKWZSVIG-ZETCQYMHSA-N 197.242 1.443 10 10 ADCE CO[C@@H]1CCCN(CCN=[N+]=[N-])CC1 709384893 UUGKEINSYABGAD-SECBINFHSA-N 198.270 1.798 10 10 ADCE NOCC1(c2cccc(O)c2O)CC1 1535735050 HHTJXIRLOIJVJX-UHFFFAOYSA-N 195.218 1.020 10 10 ADCE [N-]=[N+]=NCC1[C@H]2COC[C@H]12 1880066746 LYRPEOMHEYYJHK-PHDIDXHHSA-N 139.158 1.189 10 10 ADCE CC[C@H]1C[C@H]1CC(=O)NCCN=[N+]=[N-] 1892304904 WUHLWJWNXFMJTK-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(Cc2cc[nH]n2)C1 1912171569 MKJZAUKNLJTMNV-QMMMGPOBSA-N 192.226 1.294 10 10 ADCE N[C@H]1CCCC(=S)C1 1933223665 JYFMQTLGZNGQBQ-YFKPBYRVSA-N 129.228 1.258 10 10 ADCE CC(C)(O)[C@H](N)c1cccc(F)c1O 1951475342 PRFFBCBVFJJIPD-SECBINFHSA-N 199.225 1.302 10 10 ADCE C[C@H]1C[C@]1(N)c1cccc(O)c1O 1951720830 AHRUKYSHSDCZAX-QUBYGPBYSA-N 179.219 1.292 10 10 ADCE CC1(C)[C@H](CN)CCN1CCN=[N+]=[N-] 1957244135 MTOHLZHMVHHDSM-QMMMGPOBSA-N 197.286 1.356 10 10 ADCE C/C(=C/c1ccc(O)c(O)c1)[N+](=O)[O-] 5975537 CBBBJLQAIWVLBM-XQRVVYSFSA-N 195.174 1.735 10 10 ADCE Cn1ccc2ccc(CC(=N)N)cc21 84288789 GWAPJOSDHOOYPE-UHFFFAOYSA-N 187.246 1.657 10 10 ADCE N[C@H](c1ccc(O)c(O)c1)C1CC1 84334435 LGSHRAOBCSDFKG-JTQLQIEISA-N 179.219 1.508 10 10 ADCE O=C(O)c1sc2c(c1O)CCCN2 108270482 SMBDEYKOXLMSEV-UHFFFAOYSA-N 199.231 1.510 10 10 ADCE NCc1sc2c(O)cccc2c1O 108305100 WFBXQSQHFDWGGL-UHFFFAOYSA-N 195.243 1.771 10 10 ADCE CC(C)(C)[C@@H](CO)N=[N+]=[N-] 142126979 NSGIVWQAAGXPKO-RXMQYKEDSA-N 143.190 1.704 10 10 ADCE Oc1cc2ccn(O)c2cc1O 204459957 RJCMROWGXQCQQI-UHFFFAOYSA-N 165.148 1.290 10 10 ADCE C[C@@H]1NCCc2cc(N)cc(O)c21 212776153 IKKGPCKWCKKZSP-LURJTMIESA-N 178.235 1.181 10 10 ADCE CC[C@@H](O)CCCN=[N+]=[N-] 233899337 YDMBWVLJECUERS-ZCFIWIBFSA-N 143.190 1.848 10 10 ADCE COc1cc(O)c2c(c1)CC[C@H]2N 238372733 VPUSYVRKMNDASQ-MRVPVSSYSA-N 179.219 1.347 10 10 ADCE Cc1cc2c(c(CN)c1O)CCO2 258084410 VYUTUACIYYFVRM-UHFFFAOYSA-N 179.219 1.094 10 10 ADCE CO[C@@H]1CN(CCN=[N+]=[N-])CC[C@H]1C 299921153 ZEUQRTKAEYKRMP-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE C[C@@H]1CCN1c1ccc2c(c1)CNC2 307239593 PQTLWOUIPVARSI-SECBINFHSA-N 188.274 1.888 10 10 ADCE CO[C@@H](C)CN(C)CCCN=[N+]=[N-] 308205230 HJQFPBNNCAGCIO-QMMMGPOBSA-N 186.259 1.654 10 10 ADCE CCC/C=C\[C@H](O)[C@@H](CO)N=[N+]=[N-] 379233286 OZGOTMGSRJLYEO-YKCGFPGDSA-N 185.227 1.375 10 10 ADCE CCN(CCCN=[N+]=[N-])[C@H]1CCOC1 379530312 ILSNDCBGXMCQGU-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC1(CC(=O)NCCN=[N+]=[N-])CC1 401386027 AYCYUZCBINJXST-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE C[C@@]1(CN=[N+]=[N-])CCOC1 669384733 CXJHNLLUDPYSBP-LURJTMIESA-N 141.174 1.723 10 10 ADCE [N-]=[N+]=NC[C@]12C[C@H](CCO1)C2 1880398848 ZRRZIKAEGUUXGR-KNVOCYPGSA-N 153.185 1.866 10 10 ADCE C[C@H](F)CN1CC[C@@H](CN=[N+]=[N-])C1 1881792816 KBKWZTHAQKYKFG-YUMQZZPRSA-N 186.234 1.977 10 10 ADCE C=C=CCC(=O)NCCCN=[N+]=[N-] 1882239102 WEQXYHBCOREHHU-UHFFFAOYSA-N 180.211 1.534 10 10 ADCE CO[C@@H]1C[C@@H]1CN(C)CCN=[N+]=[N-] 1882816303 YVVOYMHLUPLIQF-HTQZYQBOSA-N 184.243 1.263 10 10 ADCE CC[C@@]1(C)[C@@H](O)CCN1CCN=[N+]=[N-] 1887280926 JPOVEMQASZGSSF-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)C1CCC1 1887717682 NCENLTUSXKLLAO-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE C[C@H](O)CN1CCC(N=[N+]=[N-])CC1 1912155390 PVSLECXTYORAPD-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H]1C(=O)O 1912185841 WMLOJBNATRPHCV-DMTCNVIQSA-N 141.130 1.160 10 10 ADCE CC[C@@H](C)[C@@H](NN)c1ccccc1O 1928480009 CCOFRGSPRGPCGS-LDYMZIIASA-N 194.278 1.943 10 10 ADCE CC(=O)C(=O)[C@H](O)CC1CCCC1 1929178091 UNXAFRPWXOOEEL-SECBINFHSA-N 184.235 1.086 10 10 ADCE CC1(CCN=[N+]=[N-])OCCO1 1951351157 UDYOVFFUOQGFPC-UHFFFAOYSA-N 157.173 1.450 10 10 ADCE COCC[C@H](N)c1cc(C)ccc1O 1951595440 UJRUYHFUVMUVAT-JTQLQIEISA-N 195.262 1.737 10 10 ADCE Cc1cc(O)c([C@@H](N)CF)cc1C 1953029115 YBUBCFJOUYXFOE-VIFPVBQESA-N 183.226 1.978 10 10 ADCE Cc1cccc(O)c1CNC1COC1 1955545036 SJOCXJHPKZSTEM-UHFFFAOYSA-N 193.246 1.189 10 10 ADCE CC[C@@H]1CNCCCN1CCN=[N+]=[N-] 1957244002 KVWMPWFWFBEEIJ-SECBINFHSA-N 197.286 1.371 10 10 ADCE C[C@@H]1[C@@H](N)CCN1CCCCN=[N+]=[N-] 1957248002 ZMTZVCKRZJASDD-BDAKNGLRSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=NC[C@@]1(CN)CC12CCC2 2080990226 SZBNUNBQSCZVFH-QMMMGPOBSA-N 166.228 1.816 10 10 ADCE [N-]=[N+]=NCCN1CCCCC1=O 42416102 PTFGFLLPAVLHHY-UHFFFAOYSA-N 168.200 1.309 10 10 ADCE Nc1cc(F)c(O)c([C@@H]2CCCN2)c1 72201721 CHHLASSXCOGPSZ-VIFPVBQESA-N 196.225 1.538 10 10 ADCE CN1CCc2cc(C3(N)CC3)ccc21 82880698 GJFAOYJNDLDKHI-UHFFFAOYSA-N 188.274 1.627 10 10 ADCE CC1CN(c2ccc(N)cc2)C1 86678126 PISVGQKHUBKJHK-UHFFFAOYSA-N 162.236 1.725 10 10 ADCE NCc1ccc(N2CC[C@@H](F)C2)cc1 107260402 WDVJOTVURLPISV-SNVBAGLBSA-N 194.253 1.694 10 10 ADCE O=C1NCCN1/N=N/c1ccccc1 142238912 UVSCYGKNIJXYKA-VAWYXSNFSA-N 190.206 1.711 10 10 ADCE CO[C@@H](C)CNc1ccc(N)cc1 145275155 XEOVPHDQYSDROI-QMMMGPOBSA-N 180.251 1.716 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H](O)c1ncco1 166071169 UHBVZVXRKWYOOV-CRCLSJGQSA-N 168.156 1.407 10 10 ADCE CN(C)c1ccc2c(c1)CNCCO2 169792868 IQMPIVUPPKLGPC-UHFFFAOYSA-N 192.262 1.235 10 10 ADCE COc1c(C)ccc(CN)c1O 212280396 BZUHCXYLFJZOJS-UHFFFAOYSA-N 167.208 1.168 10 10 ADCE COc1cc(O)c(O)c(C)c1O 238392546 WWGKTWDLQGUHTO-UHFFFAOYSA-N 170.164 1.120 10 10 ADCE N[C@H](CF)c1ccc2c(c1O)OCO2 238685815 OYZDVLIYJQMBJE-ZCFIWIBFSA-N 199.181 1.090 10 10 ADCE Oc1c(Cl)ccc2c1CNC2 257965987 HMJKGDBVTIARMC-UHFFFAOYSA-N 169.611 1.649 10 10 ADCE C[C@@H]1C[C@@H](C)N(CCN=[N+]=[N-])C1=O 307172973 NSKQFHXYELSUTM-RNFRBKRXSA-N 182.227 1.554 10 10 ADCE CC1=C=S=C(C)[C-]1C(=O)[C@H](C)CN 885873065 CHZHDMIRPLVJET-ZCFIWIBFSA-N 196.295 1.011 10 10 ADCE C[C@@H]1CCO[C@@H]1CN(C)CCN=[N+]=[N-] 1912170206 UJBWBCYHBPAQED-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE CSCCN1CC(N=[N+]=[N-])C1 1912208785 VYOJZULWKJZHHS-UHFFFAOYSA-N 172.257 1.344 10 10 ADCE CNCCCCc1cccc(O)c1O 1951586060 UPHAZQGMPROZOL-UHFFFAOYSA-N 195.262 1.640 10 10 ADCE C[C@@H](N)CN(C)CCCCN=[N+]=[N-] 1954208071 HRQBGZZPNOKZHC-MRVPVSSYSA-N 185.275 1.356 10 10 ADCE C[C@@H]1[C@H](N)CCN1CCCCN=[N+]=[N-] 1957248005 ZMTZVCKRZJASDD-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE CO[C@H]1CCNc2ccccc2NC1 2209641998 GFQIARFVEDKLKB-VIFPVBQESA-N 192.262 1.929 10 10 ADCE C/C=C(/N=[N+]=[N-])C1=NC1 34184582 OSCVWQCBZYSYJP-DUXPYHPUSA-N 122.131 1.655 10 10 ADCE CN1CCCN(CCCN=[N+]=[N-])CC1 42415843 BBGQJAYXIQJMFS-UHFFFAOYSA-N 197.286 1.324 10 10 ADCE C[C@H]1CSCCN1CCN=[N+]=[N-] 69761423 AKNZWIJQCLGSGO-ZETCQYMHSA-N 186.284 1.734 10 10 ADCE CN[C@@H](C(=O)O)c1cc(C)ccc1O 76171606 CROZNTKJBSVZOW-SECBINFHSA-N 195.218 1.046 10 10 ADCE Oc1ccccc1[C@H]1COCCN1 82873931 LCJUTTSEJYVYQX-SECBINFHSA-N 179.219 1.053 10 10 ADCE N[C@@H](CCCO)c1c(O)cccc1F 95685848 WQNDESNCNRNDDO-QMMMGPOBSA-N 199.225 1.304 10 10 ADCE Oc1cc2c(c(Cl)c1O)CCNC2 95835586 NKEQVZVUWFUCDA-UHFFFAOYSA-N 199.637 1.397 10 10 ADCE C[C@](N)(c1ccc(O)c(O)c1)C1CC1 107180998 HLUNHDKIIRZUOL-LLVKDONJSA-N 193.246 1.682 10 10 ADCE CC(C)C[C@@](C)(N=[N+]=[N-])C(N)=O 137640906 WNQRHZGFDZVTQE-SSDOTTSWSA-N 170.216 1.587 10 10 ADCE CN[C@@H](C)c1c(O)cccc1O 221208577 BMRLFBXZNOJTGU-LURJTMIESA-N 167.208 1.378 10 10 ADCE Oc1cc([C@H]2CCCN2)c(O)cc1F 258179048 WKSAUORUFXGJLP-MRVPVSSYSA-N 197.209 1.661 10 10 ADCE ONCc1c(F)ccc(Cl)c1O 258196643 YATIGRBBZIFXEP-UHFFFAOYSA-N 191.589 1.664 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@H](C2CC2)CCO1 1912199201 POINFELWJOXZLK-YUMQZZPRSA-N 182.227 1.411 10 10 ADCE CC[C@@H](C)OC(=O)NCCN=[N+]=[N-] 1912210794 NVKXEHRMCRJGPC-ZCFIWIBFSA-N 186.215 1.821 10 10 ADCE CNC[C@H]1C[C@@H]1c1cccc(O)c1O 1951841667 CLFGUHLTTIHZOY-APPZFPTMSA-N 193.246 1.421 10 10 ADCE CN[C@@H](CF)c1c(O)cccc1O 1952592203 XESXGWPXHFNTPA-LURJTMIESA-N 185.198 1.328 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@]1(C)CC=CCC1 1954981973 ZHOGVTZYHRSJBZ-WDEREUQCSA-N 196.246 1.252 10 10 ADCE C[C@H]1CC[C@H](CN)CN1CCN=[N+]=[N-] 1957242532 BEFHYVHRLYTYFE-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE CC(C)(C)S(=O)(=O)CCN=[N+]=[N-] 42416503 AXWRMUGBJGJIPK-UHFFFAOYSA-N 191.256 1.510 10 10 ADCE CC(=S)/C=C(/C)N 104556817 RFWRLVYCCWTSFA-ARJAWSKDSA-N 115.201 1.239 10 10 ADCE CC(=O)c1cc(O)c(O)cc1F 222733575 UOOLOCQOCIVNBN-UHFFFAOYSA-N 170.139 1.440 10 10 ADCE Cc1ccc(O)c([C@@H]2CCC(=O)N2)c1 238529480 FBXGGIDNXLMVEA-VIFPVBQESA-N 191.230 1.652 10 10 ADCE Cc1cccc(O)c1[C@@H](N)CCO 238536075 QFAGBSKZJSLDBF-QMMMGPOBSA-N 181.235 1.083 10 10 ADCE N/N=N/Cc1ccccc1CC(=O)O 238552694 FZWHMUNRGCEDCS-UHFFFAOYSA-N 193.206 1.140 10 10 ADCE Nc1c(F)cc2c(c1O)[C@@H](N)CCC2 238586562 WTAOVQQAIZRJRG-ZETCQYMHSA-N 196.225 1.450 10 10 ADCE Cc1c(C(C)(C)N)cc(O)c(O)c1C 258108759 PMCVAGFIINNRRF-UHFFFAOYSA-N 195.262 1.908 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])C1 307534368 AUDSUFNHQBMYNQ-UHFFFAOYSA-N 154.217 1.639 10 10 ADCE CC(C)(N)CSc1nccs1 575559040 FMFNNKPVTUHMAJ-UHFFFAOYSA-N 188.321 1.973 10 10 ADCE Cn1cc(C(C)(C)N=[N+]=[N-])cn1 688849022 XTQINMXMFWGHQP-UHFFFAOYSA-N 165.200 1.966 10 10 ADCE CCc1cccc(CNCCN)c1O 691459551 KHAMZOTVNBBMEG-UHFFFAOYSA-N 194.278 1.003 10 10 ADCE C[C@@H]1C[C@]1(C)C(=O)NCCCN=[N+]=[N-] 704356773 NJOQUSFBJKLTMN-APPZFPTMSA-N 196.254 1.849 10 10 ADCE NCc1ccc(N2CC=CC2)c(F)c1 723159369 ARKXSSAAJOCSMO-UHFFFAOYSA-N 192.237 1.661 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2COC[C@@H]2O1 724626645 INAGFGCKUKINLN-ACZMJKKPSA-N 169.184 1.101 10 10 ADCE COC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 885895030 OYSGQRAOWZQLBR-ZETCQYMHSA-N 198.226 1.775 10 10 ADCE C[C@@H]1OCC[C@@H]1[C@@H](CO)N=[N+]=[N-] 1535811131 QGOHVENBEIASIU-LYFYHCNISA-N 171.200 1.083 10 10 ADCE C[C@@]1(O)C[C@H]2C[C@H]1N(CCN=[N+]=[N-])C2 1888538349 ATLCXBCMJQGZMU-IWSPIJDZSA-N 196.254 1.142 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@@H]1C[C@@H]1C(C)(C)C 1898808449 RBHBFLXBRGMGDI-KHQFGBGNSA-N 198.262 1.188 10 10 ADCE CC(C)[C@H](C=Cc1nccn1C)CN 1931090896 XRDGDXMOMBWMGV-SNVBAGLBSA-N 193.294 1.664 10 10 ADCE 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10 ADCE ON[C@@H]1CCc2cccc(O)c21 306604357 NUQNSQKDMRHXDJ-SSDOTTSWSA-N 165.192 1.358 10 10 ADCE C[C@@H]1C[C@H]2CN(CCN=[N+]=[N-])C[C@@H]12 1884227804 ROPPRJSUXNBEIY-VGMNWLOBSA-N 180.255 1.885 10 10 ADCE COC12CC(C1)N(CCCN=[N+]=[N-])C2 1886607402 KRRCAIYDTBRBJW-UHFFFAOYSA-N 196.254 1.550 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@]12CC[C@H]1C2 1935499113 DSNWNNAOUJLEAC-CBAPKCEASA-N 194.238 1.555 10 10 ADCE CN(C)c1ccc(CNC#N)cc1 1954489136 YCIAZKSZTCJWCB-UHFFFAOYSA-N 175.235 1.323 10 10 ADCE Nc1c(C(F)F)sc(CO)c1O 2080419942 RMPIEKOAXNRLHQ-UHFFFAOYSA-N 195.190 1.466 10 10 ADCE Nc1ccc(N[C@]23CNC[C@H]2C3)cc1 2210025787 VFFDSDKOECXYDJ-LDYMZIIASA-N 189.262 1.043 10 10 ADCE CCC[C@H](N)c1c(O)cc(O)cc1O 82726999 VDTYONIPHHSQDD-ZETCQYMHSA-N 197.234 1.603 10 10 ADCE COCCNCc1cccc(F)c1O 83343141 PGHSBPCIONPQMM-UHFFFAOYSA-N 199.225 1.267 10 10 ADCE C[C@@H]1CC/C(=C/O)C(=O)O1 100208733 YCROPIXIXHPRKG-WEWOIACBSA-N 142.154 1.154 10 10 ADCE C/N=N/[C@@H](N)C(C)C 104152610 CCMHRQATJQJULZ-NHMFUHOKSA-N 115.180 1.009 10 10 ADCE CCC[C@@H](N)c1cc(N)c(F)cc1O 104507364 WENJZPGLRRYMPB-MRVPVSSYSA-N 198.241 1.913 10 10 ADCE [N-]=[N+]=N[C@@H]1C=COCC1 135749183 QWTOSOOKLSZCAV-RXMQYKEDSA-N 125.131 1.599 10 10 ADCE CNCc1cc(C)c(OC)cc1O 212028264 UTAVZMUMTRTQJP-UHFFFAOYSA-N 181.235 1.429 10 10 ADCE CCOC(=O)[C@H](N=[N+]=[N-])[C@@H](C)F 238255346 VKMOISBVDLVCNP-RFZPGFLSSA-N 175.163 1.586 10 10 ADCE CCc1cccc([C@H](N)CF)c1O 238304197 NBGYFRRSTCZTAV-SECBINFHSA-N 183.226 1.924 10 10 ADCE [N-]=[N+]=N[C@@H](O)C1CCCC1 238714538 BLLVMFWIENKOJH-LURJTMIESA-N 141.174 1.805 10 10 ADCE CO[C@H]1CCN[C@H]1c1ccccc1O 257828059 IFMHTLYLSLMLLT-QWRGUYRKSA-N 193.246 1.442 10 10 ADCE NC1(c2c(Cl)ccc(O)c2O)CC1 258025437 DWXSUCYMABNPQO-UHFFFAOYSA-N 199.637 1.699 10 10 ADCE Nc1cc(F)cc([C@@H](N)CF)c1O 306930809 BXFXTRJMMKFTDL-ZETCQYMHSA-N 188.177 1.083 10 10 ADCE Cc1cccc(CNN2CCC2)c1O 686778169 FLTFRMMGZHQDOK-UHFFFAOYSA-N 192.262 1.411 10 10 ADCE C[C@H]1C[C@@H](O)CCN1CCN=[N+]=[N-] 706114312 JONBOHCFGRHLQG-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE 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[N-]=[N+]=N[C@@H]1CCN(C[C@H]2C[C@H]2CF)C1 1888818605 PAVZDCWLODBFNP-DJLDLDEBSA-N 198.245 1.977 10 10 ADCE [N-]=[N+]=NCCN1CCCCC12COC2 1894555103 YVEIMEPRSXZEPZ-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE C[C@H](N)C[C@H](C)Oc1ccc(N)cc1 1896268981 ORQIPDVNLURDLJ-IUCAKERBSA-N 194.278 1.773 10 10 ADCE C[C@H](CCCN)Oc1ccc(N)cc1 1896269378 UEFACBCKKGEYOU-SECBINFHSA-N 194.278 1.775 10 10 ADCE CC=CCNCc1ccc(N)cc1 1929712193 DIZMJCYWSXYXEA-UHFFFAOYSA-N 176.263 1.935 10 10 ADCE CC[C@@H](NN)c1ccc(F)cc1O 2080459596 DYAGHRKOEQJWSD-MRVPVSSYSA-N 184.214 1.446 10 10 ADCE Cc1ccc(-c2csc(=N)[nH]2)n1C 2209111011 VUUBQRZNJLNJLW-UHFFFAOYSA-N 193.275 1.870 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN2C(=O)CCC[C@@H]12 35822663 KQADSAKAUUVRKH-YUMQZZPRSA-N 194.238 1.840 10 10 ADCE CCNCc1cccc(O)c1O 41049369 VKNJYKQTMCTXFP-UHFFFAOYSA-N 167.208 1.207 10 10 ADCE CN1CCc2c1ccc1c2C(=O)CO1 82391047 YLAVDTANPRJFOO-UHFFFAOYSA-N 189.214 1.254 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1CC=CC1 82866305 KKFMGEJJCVQJRQ-UHFFFAOYSA-N 180.211 1.379 10 10 ADCE CC1(C)C(=O)C(=O)[C@H]2CC[C@@H]1C2 169397720 UHONRUDDOVMSCJ-NKWVEPMBSA-N 166.220 1.581 10 10 ADCE CC(C)C[C@@H](CN)N=[N+]=[N-] 238177402 QCASQTJJPXJNCV-LURJTMIESA-N 142.206 1.670 10 10 ADCE O=C1O[C@H]2CC[C@@H](C2)/C1=C/O 238607704 XCQNKJIULYVXNA-QXWABWMVSA-N 154.165 1.154 10 10 ADCE N[C@H]1COc2c(F)c(F)cc(O)c21 238640245 DIGWCMYLIVYYNE-BYPYZUCNSA-N 187.145 1.063 10 10 ADCE CC(C)(N)c1cc([N+](=O)[O-])ccc1O 258100903 OTKRCICXFOUZQB-UHFFFAOYSA-N 196.206 1.494 10 10 ADCE CO[C@@H]1CCN(CCN=[N+]=[N-])[C@@H](C)C1 300782970 VOIUHGBWRMMPAO-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@]2(CCOC2)O1 536950993 YTYVHFVMBQUSKD-HTQZYQBOSA-N 183.211 1.635 10 10 ADCE [N-]=[N+]=NCCN1CC(n2cccn2)C1 707553358 MHLITXDUYNYGOV-UHFFFAOYSA-N 192.226 1.050 10 10 ADCE N=NNCCC1=C=C=NS1 885247574 ASEXENYACADBSI-UHFFFAOYSA-N 154.198 1.283 10 10 ADCE CC[C@@H]1COC[C@H](CN=[N+]=[N-])O1 958691834 JJQSQYZYLJFLPI-RQJHMYQMSA-N 171.200 1.491 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2COCC[C@@H]21 1877199851 HFTDTEMBHGKDAC-SFYZADRCSA-N 182.227 1.017 10 10 ADCE CC1([C@@H](O)CN=[N+]=[N-])CCC1 1880511567 DNJQRBRBRUXEIL-LURJTMIESA-N 155.201 1.848 10 10 ADCE CN=c1cc[nH]cc1CN=[N+]=[N-] 1880644832 WGGMEXCGKMAHIH-UHFFFAOYSA-N 163.184 1.356 10 10 ADCE C[C@@H]1OCC[C@H]1CN1CC(N=[N+]=[N-])C1 1884970731 ZAHTVIRISRQPPY-YUMQZZPRSA-N 196.254 1.406 10 10 ADCE COC[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 1885286465 KGZKNIOWHGQVNV-IUCAKERBSA-N 198.270 1.796 10 10 ADCE C[C@H](O)[C@H](C)N1CCC[C@@H](N=[N+]=[N-])C1 1912159817 MVMQFWCACHHSMJ-XHNCKOQMSA-N 198.270 1.530 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC1(C)C 1929171086 YOBRPCRFBGWEQS-SNVBAGLBSA-N 184.235 1.086 10 10 ADCE COC[C@@H](N)c1cccc(OC)c1O 1951524239 LMISWESJJDTPMB-MRVPVSSYSA-N 197.234 1.047 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@H]1CN 1957244945 UONDTZBERYOJPD-RKDXNWHRSA-N 197.286 1.213 10 10 ADCE CC(=O)C(=O)C1(O)CCC=CCC1 2241725225 XECDMYXYJDYYLM-UHFFFAOYSA-N 182.219 1.006 10 10 ADCE CC[C@H](C)[C@H](O)CN=[N+]=[N-] 130768476 DJWASGIXQNXQAH-NTSWFWBYSA-N 143.190 1.704 10 10 ADCE CCCC(=O)OC[C@@H](CO)N=[N+]=[N-] 140490570 ZUFRFHVOXUCCCV-ZCFIWIBFSA-N 187.199 1.001 10 10 ADCE C[C@]1(Nc2ccc(N)cc2)CCOC1 161608590 JRWHEXJSHZYIFU-NSHDSACASA-N 192.262 1.860 10 10 ADCE O=C1Oc2ccoc2/C1=C/O 204988424 RDHNPRNZORQTTK-ARJAWSKDSA-N 152.105 1.098 10 10 ADCE CCCNCC/C=C\c1nccn1C 211656612 NQSQWMOTGMONLY-XQRVVYSFSA-N 193.294 1.823 10 10 ADCE CCc1cc(F)c(O)c(CN)c1 211976912 BJWPCKNXJYAGJZ-UHFFFAOYSA-N 169.199 1.552 10 10 ADCE C[C@H](F)c1ccc(O)c(CN)c1 212388605 FGVMTGNBPHOCBC-LURJTMIESA-N 169.199 1.881 10 10 ADCE N/C=C1/C=C(c2ccccc2)OC1=O 215768668 SYRRHBOHSLNGRS-CLFYSBASSA-N 187.198 1.427 10 10 ADCE COc1ccc([C@@H](C)N)c(O)c1O 238397071 LDPLXWVEUNLBKP-RXMQYKEDSA-N 183.207 1.126 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]2C[C@@H](CO)[C@H]1C2 306348090 GHYNVJAGTISYHQ-RULNZFCNSA-N 167.212 1.704 10 10 ADCE Cc1ncoc1CN=[N+]=[N-] 723616569 XMGSHDVIBCQNIY-UHFFFAOYSA-N 138.130 1.793 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cnco1 1535764570 YHZXQGJDSBEMTO-BYPYZUCNSA-N 154.129 1.018 10 10 ADCE Cc1cnc([C@@H](O)CN=[N+]=[N-])cn1 1887385333 ZOLASHLQLONPPD-ZETCQYMHSA-N 179.183 1.129 10 10 ADCE Nc1ccc(NCC2CC(N)C2)cc1 1888923764 VNKTUCLSRGOSIC-UHFFFAOYSA-N 191.278 1.418 10 10 ADCE NCCC=C1CCn2ccnc21 1911599451 SGIWHOSWVWCZPD-UHFFFAOYSA-N 163.224 1.019 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2CC[C@H]2O)C1 1912143485 GVFLFMMJLVPKIX-HRDYMLBCSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CCCF)C1 1912181191 LDEVZCLIHYFEES-ZETCQYMHSA-N 172.207 1.731 10 10 ADCE CN[C@H](CF)c1cc(OC)ccc1O 1952557724 BJDAXHDRJJJXEI-SECBINFHSA-N 199.225 1.631 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC2(CC2)[C@@H]1O 1953735328 LKRNBVJZTWJASL-RNFRBKRXSA-N 167.212 1.990 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21 1954172653 LAYDXDLWZSNPEW-JBDRJPRFSA-N 178.239 1.637 10 10 ADCE Nc1ccc(N[C@@H]2[C@H]3COC[C@H]32)cc1 1957279632 ILLUZOBHFTXDMZ-URLYPYJESA-N 190.246 1.326 10 10 ADCE CN(CCN=[N+]=[N-])CC[C@H]1CCO1 2242534021 HUPHNYVNEPNXLX-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE CC(C)Nc1ccc(O)c(O)c1 9915904 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Cc1ccc(O)c(Cn2cccn2)c1 2069943264 VYMYJWTYAFOANZ-UHFFFAOYSA-N 188.230 1.945 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CC[C@H]2CCO2)C1 2242559438 LAEFILPGKAZFIR-IUCAKERBSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H]2O[C@@H]21 39038056 SMBBIZYSPWOUQK-MROZADKFSA-N 125.131 1.227 10 10 ADCE CC[C@@H](N)c1c(O)cc(C)cc1O 104575607 QJYPXOIDFNLGNZ-SSDOTTSWSA-N 181.235 1.816 10 10 ADCE [N-]=[N+]=NCc1cnc(F)[nH]1 142922269 UJGLGLSBDYOTCL-UHFFFAOYSA-N 141.109 1.359 10 10 ADCE COC(=O)/C(=C/O)c1cccn1C 147075374 VUJYUPAXHJSWAC-VOTSOKGWSA-N 181.191 1.097 10 10 ADCE CC[C@@H]1CCN[C@@H](CC(=O)C(C)=O)C1 167563139 MFJIZVFWDKVMOL-NXEZZACHSA-N 197.278 1.313 10 10 ADCE CC[C@@H](N)CNc1ccccc1NC 209322109 QGNAQIRUADSTKU-SECBINFHSA-N 193.294 1.878 10 10 ADCE CC(=O)OC[C@@H]1C[C@H](N=[N+]=[N-])C=CO1 238159291 ZAJVLXSWGUXJIM-SFYZADRCSA-N 197.194 1.531 10 10 ADCE CCCC(=O)C(=O)C1CCC1 238224514 OTJFURMKXXWGJE-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE Cc1cc(N)c(O)c([C@H](N)C2CC2)c1 238471756 HSNAIDGCSCQSIA-SNVBAGLBSA-N 192.262 1.693 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H]2COC(=O)N2C1 238592902 FEVJJOJFEJLIJJ-PHDIDXHHSA-N 182.183 1.280 10 10 ADCE N[C@H]1CCc2cc([N+](=O)[O-])cc(O)c21 238627405 LVVVCAVGYLXECF-ZETCQYMHSA-N 194.190 1.246 10 10 ADCE NCC1(c2cccc(O)c2O)CC1 258060329 SMNCWSCHBXTQQJ-UHFFFAOYSA-N 179.219 1.088 10 10 ADCE CNCc1ccc(N2CCC2)c(F)c1 306775187 WPQDTWZWGWGOPV-UHFFFAOYSA-N 194.253 1.755 10 10 ADCE C[C@@H](NCCF)c1cc(O)ccc1O 308519895 HCWXYUOJFZDBLN-SSDOTTSWSA-N 199.225 1.718 10 10 ADCE CCC1(C(=O)NCCCN=[N+]=[N-])CC1 379544477 URBUABYSTXYQJQ-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE [N-]=[N+]=NCCC/C=C\CO 382741669 AKCZAIPSVXKZHR-RQOWECAXSA-N 141.174 1.625 10 10 ADCE C[C@H]1CN(c2ccc(CN)cc2)[C@@H]1C 706756380 XLELWDRUJGUSCD-VHSXEESVSA-N 190.290 1.990 10 10 ADCE CC[C@H]1CN[C@@H](CN=[N+]=[N-])O1 885255084 ASDZIAISPHWNMF-NTSWFWBYSA-N 156.189 1.021 10 10 ADCE CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 885411500 CKHHJSITRKYILZ-QMMMGPOBSA-N 182.227 1.555 10 10 ADCE Cc1cc([C@@H](CO)N=[N+]=[N-])n[nH]1 1535865384 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[N-]=[N+]=NCCN1CC2(CC2)CO1 1912208082 QWRYLNPGXNMVMC-UHFFFAOYSA-N 168.200 1.324 10 10 ADCE Oc1cccc(F)c1[C@@H]1NCC[C@H]1F 1952823656 NDWNIGVJPJZJLQ-GMSGAONNSA-N 199.200 1.904 10 10 ADCE CC1CN(C(=O)N(C)CCN=[N+]=[N-])C1 2241318487 SAVLNWBTZNPEMQ-UHFFFAOYSA-N 197.242 1.300 10 10 ADCE Cc1c(CC(=O)O)ccc(O)c1O 6520510 DRDKOSLWHVDWCG-UHFFFAOYSA-N 182.175 1.033 10 10 ADCE [N-]=[N+]=N[C@@H]1CC=CC[C@@H]1O 34213166 UHAGTQQTBGSUKD-RITPCOANSA-N 139.158 1.376 10 10 ADCE [N-]=[N+]=NCCCNC(=O)CC1CC1 49732492 CVCVRYQTRYKLPC-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE C[C@]1(c2ccccc2O)CCCN1 82869910 DESXEZDVANEANJ-LLVKDONJSA-N 177.247 1.991 10 10 ADCE [N-]=[N+]=CC(=O)c1ccc2c(c1)CCO2 84450915 GYCNIIJAJSUITI-UHFFFAOYSA-N 188.186 1.105 10 10 ADCE Cc1c(F)ccc([C@H]2CCN2)c1O 95784567 GRZAJOMLLSIPOA-SECBINFHSA-N 181.210 1.874 10 10 ADCE Nc1ccccc1N[C@@H]1CCCNC1 148461453 IKNSURIQZVGLLX-SECBINFHSA-N 191.278 1.433 10 10 ADCE CCOC(=O)/C(=C\O)C1CC1 218851878 BNWAIILRABFNGR-ALCCZGGFSA-N 156.181 1.401 10 10 ADCE C[C@@H](N)c1c(O)ccc(F)c1O 238416100 XAJGKCGJJPJTLA-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE NCc1cc(-c2cocn2)ccc1O 259761257 PCIOIGXIIVHMGZ-UHFFFAOYSA-N 190.202 1.506 10 10 ADCE C[C@@H]1C(=O)C(=O)[C@@]2(C)CC=CC[C@H]12 306405162 WCDMRFWBCYQRHE-RNSXUZJQSA-N 178.231 1.747 10 10 ADCE N[C@@H](c1ccccc1O)[C@H](N)C1CC1 306916968 XOIWNDDSBWHZQQ-MNOVXSKESA-N 192.262 1.129 10 10 ADCE C[C@H]1CCC(=O)N1CCN=[N+]=[N-] 307140656 BALNAMKQAINODZ-LURJTMIESA-N 168.200 1.308 10 10 ADCE C[C@@H]1O[C@H](C)C[C@H]1N(C)CCN=[N+]=[N-] 384915416 OYBZYQYPUJEMGX-HRDYMLBCSA-N 198.270 1.794 10 10 ADCE NC1(c2ccc(O)c(O)c2O)CCC1 1535830528 QHOKYXFTVHCHCT-UHFFFAOYSA-N 195.218 1.141 10 10 ADCE [N-]=[N+]=NCCC(F)(F)CO 1857779223 IQXCANHMCIFYOR-UHFFFAOYSA-N 151.116 1.314 10 10 ADCE C[C@@H]1NCC[C@@H]1Oc1ccc(N)cc1 1877580465 KCHTZQBXMGUTEX-KWQFWETISA-N 192.262 1.398 10 10 ADCE Cc1coc(S(=O)(=O)N=[N+]=[N-])c1 1933385862 SKVKIHNFCDIXNX-UHFFFAOYSA-N 187.180 1.587 10 10 ADCE [N-]=[N+]=NC[C@@H]1CNC2(CCC2)CO1 1935392035 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KYZVJFJOZPKDEF-UHFFFAOYSA-N 156.225 1.827 10 10 ADCE Nc1ccc(CN2CCCC2)c(O)c1 117775532 GREIWYYNJXYQCD-UHFFFAOYSA-N 192.262 1.570 10 10 ADCE [N-]=[N+]=NCCN(CCCO)C1CCC1 228513975 JHNPYNPJOCWNMZ-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE Cc1ccc(N)c(O)c1[C@H]1CCCN1 306209512 SVGWUULFCPHVCY-SECBINFHSA-N 192.262 1.707 10 10 ADCE [N-]=[N+]=N/C=C1/C(=O)O[C@@H]2CCC[C@H]12 379249391 VKKGMXMKXGONJM-ZHKGWFKGSA-N 179.179 1.906 10 10 ADCE C/C=C(/CO)[C@H](CCN=[N+]=[N-])[C@@H](C)O 687756880 BZOWFMOEESWORB-RVSWPMMESA-N 199.254 1.622 10 10 ADCE COc1ccc(CC(=O)C=[N+]=N)cc1 725400804 GMHVDVVBMXWJNN-UHFFFAOYSA-N 191.210 1.117 10 10 ADCE [N-]=[N+]=NCCS(=O)(=O)C1CCC1 1880713735 IOSXPFBKMVMVGR-UHFFFAOYSA-N 189.240 1.264 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]1CF 1880839771 DMBCUMLESXDDAX-SSDOTTSWSA-N 172.207 1.731 10 10 ADCE CN(CCCN=[N+]=[N-])CCC1CNC1 1884550779 JWERQQLTQFILJY-UHFFFAOYSA-N 197.286 1.228 10 10 ADCE C[C@H]1O[C@H](CN=[N+]=[N-])NCC1(C)C 1912207507 OSEKDOZYXJAAFV-RNFRBKRXSA-N 184.243 1.657 10 10 ADCE Cc1ccc([C@@H]2NCC[C@H]2O)c(O)c1 1952065101 VQQHOSFJAXKEKO-KOLCDFICSA-N 193.246 1.096 10 10 ADCE O=C1CC[C@@H](c2ccccc2)C1=O 136952260 PLQPJDWMIRZCOH-VIFPVBQESA-N 174.199 1.702 10 10 ADCE C[C@@H](CN)c1ccc(O)c(O)c1F 140857946 DNUIDYLXIZLFAE-YFKPBYRVSA-N 185.198 1.299 10 10 ADCE CCC[C@H](O)Nc1cccc(O)c1O 164494954 FVEQEYNSRHTKAV-VIFPVBQESA-N 197.234 1.628 10 10 ADCE COc1ccc(O)c([C@H](C)N)c1OC 214019479 NONQCHSFUZLKHL-LURJTMIESA-N 197.234 1.429 10 10 ADCE C[C@@H](N)Cc1ccc(O)c(O)c1F 215093481 IRFBHSOCNBYPTQ-RXMQYKEDSA-N 185.198 1.127 10 10 ADCE C[C@H](CCC(=O)O)CN=[N+]=[N-] 238408980 JMYHTLFLAJWRTE-RXMQYKEDSA-N 157.173 1.798 10 10 ADCE C[C@H]1C=Cc2cc(O)c(O)cc2[C@@H]1O 238474252 OIOBYNBBKZEEDX-UPONEAKYSA-N 192.214 1.794 10 10 ADCE Nc1ccc(CN2CC[C@@H](F)C2)cc1 606269259 XRBPCBFETJJGFN-SNVBAGLBSA-N 194.253 1.813 10 10 ADCE O=[N+]([O-])Cc1cccc(F)c1O 1535817071 GPCVUONVBYRQLR-UHFFFAOYSA-N 171.127 1.308 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C(=O)C2CC2)C1 1912177712 GWFKIEGUBSIPOO-ZETCQYMHSA-N 180.211 1.308 10 10 ADCE Nc1ccc(COC[C@H](O)CF)cc1 1930425611 DQJYVYBXDRLKAC-SNVBAGLBSA-N 199.225 1.116 10 10 ADCE CCSc1ncc(CN)s1 1934274224 WUUPVLGDXRNTCY-UHFFFAOYSA-N 174.294 1.714 10 10 ADCE CNC[C@@H]1C[C@H]1c1ccc(O)c(O)c1 1951858096 FCRNROMGLHXOAN-IUCAKERBSA-N 193.246 1.421 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H](CCN)C1 1957242507 AZHQHBLRPFNNJL-VIFPVBQESA-N 197.286 1.358 10 10 ADCE Cc1cccc([C@@H](C)N)c1O 34349795 ASHASMPKPHWKEJ-SSDOTTSWSA-N 151.209 1.720 10 10 ADCE CCCN(C)Cc1cc(N)ccc1O 37273348 YAQOOZBBHYFIML-UHFFFAOYSA-N 194.278 1.816 10 10 ADCE CCN(C)c1ccc(CN)c(C)c1 50581697 HAZWJRBBYFXSKM-UHFFFAOYSA-N 178.279 1.910 10 10 ADCE CCO[C@H]1CC[C@H](CN=[N+]=[N-])O1 146567631 HIGDAZAIPJXJDZ-RNFRBKRXSA-N 171.200 1.838 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H](C)N 150319802 DYQGMXCCLSDHHS-DMTCNVIQSA-N 114.152 1.032 10 10 ADCE CCC(=O)OCCc1ccc(N)cc1 238218422 PMLMMKJYBMOUCP-UHFFFAOYSA-N 193.246 1.765 10 10 ADCE C[C@@H]1CCc2ccc(O)c(O)c2O1 238417305 POYGXRULYWSCOE-ZCFIWIBFSA-N 180.203 1.811 10 10 ADCE N=N/C=C1/Nc2ccccc2NC1=O 306882567 IZNFMQJHXNWUCW-NYMAWREUSA-N 188.190 1.923 10 10 ADCE COc1ccc(N(C)CCO)c(C)c1 1151867837 MBGLRHYPJPGGIZ-UHFFFAOYSA-N 195.262 1.432 10 10 ADCE CN(CCN=[N+]=[N-])CC1(F)CC1 1881627032 UWTUKQGZXGAMLY-UHFFFAOYSA-N 172.207 1.731 10 10 ADCE CC1(CF)CN(CCCN=[N+]=[N-])C1 1882038386 ZOTNHNLWSVTMOD-UHFFFAOYSA-N 186.234 1.978 10 10 ADCE C[C@]1(F)CCN(CCN=[N+]=[N-])C1 1912154632 MPYJRTYKDYRYKN-ZETCQYMHSA-N 172.207 1.731 10 10 ADCE CCCNC(=O)N1CC(N=[N+]=[N-])C1 1912187287 GPHGFCIUNNNPMN-UHFFFAOYSA-N 183.215 1.101 10 10 ADCE CC(=O)C(=O)c1n[nH]c2c1CCCC2 1951651171 ZAIODCUAGDXFMP-UHFFFAOYSA-N 192.218 1.060 10 10 ADCE Cc1cccc(O)c1CNOCCF 1955545302 VQJLDROUHDHGCI-UHFFFAOYSA-N 199.225 1.691 10 10 ADCE Cc1ccc(CN[C@H](C)CN)c(O)c1 1956736052 AWMQMUYHCVUJQQ-SECBINFHSA-N 194.278 1.137 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])CC[C@H]1N 1957247690 UUHWLDCGCNAPQE-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NCCSC[C@@H]1CCCN1 2241287658 CBBVMYOTNWCSLF-ZETCQYMHSA-N 186.284 1.782 10 10 ADCE Cc1cc2c(O)c(CNO)ccc2[nH]1 82890847 ZIUYDXZJLJUUTC-UHFFFAOYSA-N 192.218 1.661 10 10 ADCE CC(=[N+]=[N-])C(=O)OC(C)(C)C 84311343 BTEGBTXGDQLWOV-UHFFFAOYSA-N 156.185 1.019 10 10 ADCE CC(C)[C@H](CO)Nc1ccc(N)cc1 86119869 ZXYRPNNPJDELEC-NSHDSACASA-N 194.278 1.698 10 10 ADCE COc1cc(O)c2c(c1)C(=O)CC2=O 238371599 BYJOKYKDYIECQV-UHFFFAOYSA-N 192.170 1.170 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCO1 238595606 IKOQWUMGRWDNRO-BYPYZUCNSA-N 113.120 1.433 10 10 ADCE [N-]=[N+]=NC[C@@H](N)c1ccccn1 238686480 PJMZQKPDHCAWRW-ZCFIWIBFSA-N 163.184 1.392 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C(=O)C1 320313813 COGHTHLJOYUUDP-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE CN(C)N=Nc1ccc(C(=N)N)cc1 379413329 HEEJJECYBIHHQE-UHFFFAOYSA-N 191.238 1.531 10 10 ADCE [N-]=[N+]=NCc1ccns1 575469298 DFZSZEIHUDHYME-UHFFFAOYSA-N 140.171 1.953 10 10 ADCE [N-]=[N+]=NCCc1cnc2ccnn2c1 1535677954 WGBFPGKNKCUEOJ-UHFFFAOYSA-N 188.194 1.582 10 10 ADCE CCOC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CCO1 1857784275 BKXFWKSXXKZOTP-NKWVEPMBSA-N 199.210 1.407 10 10 ADCE C[C@H](F)CN1CC(N=[N+]=[N-])C1 1880162984 WJRQCCSYVXAMEH-YFKPBYRVSA-N 158.180 1.339 10 10 ADCE Oc1ccc(CN[C@H]2C[C@H]2F)cc1O 1887537033 MZOBZPMWJAVUDO-SFYZADRCSA-N 197.209 1.298 10 10 ADCE CC(C)[C@H]1CCN(CCN=[N+]=[N-])C1=O 1912170167 TXWPGHIPFOBZRO-MRVPVSSYSA-N 196.254 1.801 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)N2CCCC2)C1 1912201743 YNZSBFJKHFUOGI-UHFFFAOYSA-N 195.226 1.197 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cc(O)ccc1F 1951357528 IZRWZODKJLSVBN-MRVPVSSYSA-N 197.169 1.875 10 10 ADCE Cc1ccc([C@@H]2CC(=O)CN2)c(O)c1 1951959977 AVGLVKITOJDZIE-JTQLQIEISA-N 191.230 1.304 10 10 ADCE C[C@H]1C[C@H](N)CCN1CCCN=[N+]=[N-] 1957251075 XCKKFVNEDXWFAL-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)[C@@H]1C[C@@H]2C[C@@H]2C1 2241690495 RWWQGQBAHGQNJK-QRMHULIRSA-N 199.279 1.844 10 10 ADCE CC1=N[C@@H](c2ccccc2O)N(C)O1 38325168 IOLNTQUWYVYKDV-SNVBAGLBSA-N 192.218 1.686 10 10 ADCE Cc1cccc([C@H](N)CCCO)c1O 95659728 RJGSBNAROLSFHJ-SNVBAGLBSA-N 195.262 1.473 10 10 ADCE CNCc1cc(F)cc(OC)c1O 108370324 KRXBUXAWVNMUDL-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE CCCOC(=O)[C@H](C)N=[N+]=[N-] 108412465 HDDDBKZREQZGFQ-YFKPBYRVSA-N 157.173 1.638 10 10 ADCE CCC[C@H]1CC(=O)N(CCN=[N+]=[N-])C1 167287948 IKFIYLIICNRUMZ-QMMMGPOBSA-N 196.254 1.945 10 10 ADCE COc1ccccc1/N=N/C(N)=O 238342356 DOHJDQJOEPXWQP-ZHACJKMWSA-N 179.179 1.858 10 10 ADCE COc1ccc2c(c1O)[C@@H](N)CC2 238400196 UOOXYYVJFQXAOL-ZETCQYMHSA-N 179.219 1.347 10 10 ADCE C[C@H](N)c1ccc2c(c1O)CCC2 257936965 COQPODLUBLWESI-ZETCQYMHSA-N 177.247 1.901 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2C[C@@H]21 575458529 ZSELRVGFYOMEEQ-RQJHMYQMSA-N 152.201 1.391 10 10 ADCE Cc1csc([C@@H](O)CN=[N+]=[N-])n1 702036361 UTNVRLKBOACGSJ-YFKPBYRVSA-N 184.224 1.795 10 10 ADCE CN[C@H]1CCN(C2CC2)[C@@H]1CN=[N+]=[N-] 712079041 LXUPBCRRXFAQIQ-DTWKUNHWSA-N 195.270 1.121 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H]2C[C@H]2F)C1 1882881900 OXBJJCBRRLOACS-XLPZGREQSA-N 184.218 1.729 10 10 ADCE CC(=O)C(=O)[C@@]1(O)C=CCC(C)(C)C1 1886161459 IYFJZJNMMREJDF-LLVKDONJSA-N 196.246 1.252 10 10 ADCE Oc1cc(F)ccc1CNC1COC1 1904107989 NIYCGNDNAHBIDC-UHFFFAOYSA-N 197.209 1.020 10 10 ADCE Cc1c(C=CCN)cc(O)c(O)c1C 1911649641 RWBZUPXSNJAKRD-UHFFFAOYSA-N 193.246 1.687 10 10 ADCE CC=CC(=O)NCCCCN=[N+]=[N-] 1911684186 DLJIOBFXFZZHET-UHFFFAOYSA-N 182.227 1.769 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C(=O)C(F)F)C1 1912192878 KTEKSZLYESVIHE-BYPYZUCNSA-N 190.153 1.163 10 10 ADCE [N-]=[N+]=NCCc1cc(O)c(O)c(O)c1 1951353134 LJRCWMUFTKZDJF-UHFFFAOYSA-N 195.178 1.656 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2CC[C@]1(N)C2 2080986032 XMBBEWWMINJAKX-VQVTYTSYSA-N 152.201 1.567 10 10 ADCE CCC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209152536 RHFGHUUKDAGRII-BQBZGAKWSA-N 182.227 1.744 10 10 ADCE C[C@@H]1CC[C@@H]1C(=O)N(C)CCN=[N+]=[N-] 2209766074 CBLRXVBLTXERQU-SFYZADRCSA-N 196.254 1.801 10 10 ADCE Cc1ccc(C)c2c1CC(=O)C2=O 32137556 ODOYIBVFSDPLMO-UHFFFAOYSA-N 174.199 1.611 10 10 ADCE C[C@@H]1CC(=O)N(CCN=[N+]=[N-])C1 62817413 SEXZCTZLVXBMIN-ZCFIWIBFSA-N 168.200 1.165 10 10 ADCE CC(C)c1ccc(O)c([C@@H](N)CN)c1 72200432 TYSNNNWIKKOWEP-JTQLQIEISA-N 194.278 1.474 10 10 ADCE C[C@@H]1CS[C@H](CN=[N+]=[N-])N1 87603404 LNZURHYMZODYRF-RFZPGFLSSA-N 158.230 1.348 10 10 ADCE Cc1cc(O)c([C@@H](C)N)c(O)c1 104575597 XOSVDOFCWUOWTL-ZCFIWIBFSA-N 167.208 1.426 10 10 ADCE CC(C)/C(=C/O)C(=O)O 104729225 WVJAQOHECZSPBR-HYXAFXHYSA-N 130.143 1.169 10 10 ADCE COc1cccc(O)c1CN(C)C 142217490 OPPLBNCXRLYWKP-UHFFFAOYSA-N 181.235 1.462 10 10 ADCE CCO[C@H]1OC(=O)C=C1N=[N+]=[N-] 147344906 VUJMDKMVQJCJKL-LURJTMIESA-N 169.140 1.100 10 10 ADCE COc1cc2c(c(O)c1O)C(=O)CC2 238390202 OGFCPCRHSMGVLB-UHFFFAOYSA-N 194.186 1.235 10 10 ADCE Oc1cc(-c2ccncc2)cc(O)n1 247903596 LBDFZINOTGPLQY-UHFFFAOYSA-N 188.186 1.555 10 10 ADCE CC1(C)C[C@@H](CN=[N+]=[N-])O1 1880066065 CHUHWDARXPFDTE-YFKPBYRVSA-N 141.174 1.864 10 10 ADCE CCC1(Oc2ccc(N)cc2)CNC1 1896270019 YRAPXDKENARRDC-UHFFFAOYSA-N 192.262 1.400 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@H](N)c1ccccc1 1912151671 KAFMYHHOPZPXSY-RKDXNWHRSA-N 192.222 1.358 10 10 ADCE CC[C@H](O)CN1CCC(N=[N+]=[N-])CC1 1912159735 LWLDJQLZKPNRJS-VIFPVBQESA-N 198.270 1.532 10 10 ADCE COCC[C@@H](C)N1CC(N=[N+]=[N-])C1 1912166539 YPWMGXRIFTUCMF-SSDOTTSWSA-N 184.243 1.406 10 10 ADCE CCCCOC(=O)NCCN=[N+]=[N-] 1912192594 HWWWISJMGKPSNO-UHFFFAOYSA-N 186.215 1.823 10 10 ADCE COc1cnccc1CCN=[N+]=[N-] 1951395170 RRTHSZIQEWQPLV-UHFFFAOYSA-N 178.195 1.943 10 10 ADCE C[C@]1(N)C[C@H]1c1cccc(O)c1O 1952377290 WYNJIUZAZCATPE-XVKPBYJWSA-N 179.219 1.303 10 10 ADCE CCN=c1[nH]nc(CN=[N+]=[N-])s1 1953644096 NXTZUHRKQINSLE-UHFFFAOYSA-N 184.228 1.202 10 10 ADCE C[C@H](c1ccccc1O)N(C)CCO 1956417541 IVSGTBCXMICRKU-SECBINFHSA-N 195.262 1.377 10 10 ADCE CC[C@H]1CC=C[C@](O)(C(=O)C(C)=O)C1 1957378643 OXFIJBSYFBCMTB-GXSJLCMTSA-N 196.246 1.252 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H](CO)CC1CC1 2209567425 HXVXYPVYUQHLLV-SECBINFHSA-N 198.270 1.390 10 10 ADCE CN(C)C(=O)Nc1ccc(N)cc1 35408018 XAKWXRNVLHIDDI-UHFFFAOYSA-N 179.223 1.362 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])CC(C)(C)O1 45706644 LHZNEVOGKJTYHF-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE COc1ccc(N(C)C)c(F)c1 82712897 KHQPXFZEUYUZEE-UHFFFAOYSA-N 169.199 1.900 10 10 ADCE O=C(O)c1scc(Cl)c1O 84227786 OISYTYRDQRCXLP-UHFFFAOYSA-N 178.596 1.805 10 10 ADCE CC(=O)C(=O)Cc1cccs1 84428944 BPELAAZLQHBKNC-UHFFFAOYSA-N 168.217 1.449 10 10 ADCE Cc1cccc([C@@H](N)[C@H](C)O)c1O 95672957 DOMHPPRYEREMRF-CBAPKCEASA-N 181.235 1.081 10 10 ADCE N[C@@H]1CCN[C@H](c2ccccc2O)C1 107135983 RXBAERQLOWIUFH-SCZZXKLOSA-N 192.262 1.144 10 10 ADCE [N-]=[N+]=NCC(=O)C1CC1 130745791 LLXBFJPKLKLWJW-UHFFFAOYSA-N 125.131 1.276 10 10 ADCE CN[C@@H](C)c1ccc(O)c(O)c1O 211790341 OGCYYSKTOMEMSP-YFKPBYRVSA-N 183.207 1.084 10 10 ADCE Cc1ccc2c(c1)NC(=O)/C2=C\O 212008094 LCVRMWSMUXULNM-YVMONPNESA-N 175.187 1.846 10 10 ADCE Cc1ccc(O)c2c1CCN(C)C2 212724810 KZAQWLZWLGJRES-UHFFFAOYSA-N 177.247 1.689 10 10 ADCE CN(C)NCc1cc(F)ccc1O 234239033 VGGHLSBWRMIKHP-UHFFFAOYSA-N 184.214 1.098 10 10 ADCE CCOC(=O)C(F)(F)[C@@H](C)N=[N+]=[N-] 238298140 QBJWTKYLZAQZJP-SCSAIBSYSA-N 193.153 1.884 10 10 ADCE C[C@H](N=[N+]=[N-])c1nonc1N 238459952 KRUAWDYDLXPNMQ-REOHCLBHSA-N 154.133 1.023 10 10 ADCE [N-]=[N+]=NC[C@H]1OC(=O)N2CCCC[C@H]12 238595166 OXGQKMBBKJDTPP-RNFRBKRXSA-N 196.210 1.670 10 10 ADCE CSCCCN(C)CCN=[N+]=[N-] 300816410 IBWWQSUSPNXSEI-UHFFFAOYSA-N 188.300 1.982 10 10 ADCE OC/C(=C/F)c1ccc(O)c(O)c1 306531315 KODQEZRMYBKLBT-DAXSKMNVSA-N 184.166 1.401 10 10 ADCE C=C/C=C\C(=C/O)C(=O)OC 307893575 HSQRUBMHGPJQKB-SCFJQAPRSA-N 154.165 1.344 10 10 ADCE CCNC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403783405 QPYGWFNJSDKAFO-ZETCQYMHSA-N 197.242 1.491 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)CC(F)F)C1 1883827518 VLXYCQCJOCMUNB-UHFFFAOYSA-N 190.153 1.163 10 10 ADCE CC1(C)C[C@@H]1C(=O)CN=[N+]=[N-] 1889534746 DETPSDAEZGIPDT-RXMQYKEDSA-N 153.185 1.912 10 10 ADCE O=[N+]([O-])C=CCc1ccc(O)c(O)c1 1951601569 BPSDEYQPBQVZDQ-UHFFFAOYSA-N 195.174 1.431 10 10 ADCE NCC=CCc1cccc(O)c1O 1951843680 NKQMATCEUKTVSS-UHFFFAOYSA-N 179.219 1.155 10 10 ADCE C[C@H]1[C@H](C)CC(=O)N1CCN=[N+]=[N-] 1954054388 SBRSNQWQXMQNHG-RQJHMYQMSA-N 182.227 1.554 10 10 ADCE Cc1cccc(O)c1CNCCCN 1955543670 KTIMFWAKVSNFTR-UHFFFAOYSA-N 194.278 1.139 10 10 ADCE CC(C)C[S@](=O)CCN=[N+]=[N-] 42416674 HPLPXPCVZHRISG-NSHDSACASA-N 175.257 1.701 10 10 ADCE CC[C@@H](N)c1ccc(O)cc1O 71451974 TTYGMYYRVPGRKW-MRVPVSSYSA-N 167.208 1.508 10 10 ADCE CONCc1cc(Cl)ccc1O 82887913 XSUJOVKGKQRGSX-UHFFFAOYSA-N 187.626 1.697 10 10 ADCE C[C@@H](NO)c1cc(F)ccc1O 132116189 YDGFKQSJONQRHM-RXMQYKEDSA-N 171.171 1.571 10 10 ADCE COc1ccc(CN)c(O)c1C 211974878 XJUFBNZXOAJQEC-UHFFFAOYSA-N 167.208 1.168 10 10 ADCE COc1cc(O)c(O)cc1Cl 212599509 BABVXKNZFPSLJG-UHFFFAOYSA-N 174.583 1.760 10 10 ADCE CCc1ccc(OC)c(O)c1[C@@H](C)N 213865684 AWWVLLLLVDIRDY-SSDOTTSWSA-N 195.262 1.983 10 10 ADCE CC[C@@H]1OCC[C@H]1N=[N+]=[N-] 214312750 PLIXPUXOYJKHHV-RITPCOANSA-N 141.174 1.864 10 10 ADCE Nc1ccc(O[C@@H]2C[C@@H]2C(=O)O)cc1 238585366 HMMPLQYFAZUJTO-DTWKUNHWSA-N 193.202 1.121 10 10 ADCE Oc1ccc([C@@H](O)CF)cc1O 238678983 ZMSUBNGIERJQTF-QMMMGPOBSA-N 172.155 1.101 10 10 ADCE Cc1ccc(CCCO)c(O)c1O 258019070 HZHBNPQYJDKKGK-UHFFFAOYSA-N 182.219 1.331 10 10 ADCE CC(=O)OC/C=C/CN=[N+]=[N-] 383686410 NMOVSFIKPPNFKR-NSCUHMNNSA-N 155.157 1.416 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@]2(CCOC2)CO1 536959044 VXFHMHSFAYAEQT-YUMQZZPRSA-N 183.211 1.492 10 10 ADCE Cn1ccc2c([C@@H]3C[C@H]3N)cccc21 1535797712 LWIPSMBNNPFRSY-WDEREUQCSA-N 186.258 1.993 10 10 ADCE CC(C)(CN)Cc1ccc(O)c(O)c1 1535860566 MDCJWYATQQQEGB-UHFFFAOYSA-N 195.262 1.625 10 10 ADCE CCCOCCN1CC[C@H](N=[N+]=[N-])C1 1912197110 OZSWJYFMDZVODW-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC[C@@H](O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912200004 AFDRTNQQFNNZCA-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NCCN1CCCCC12CNC2 1957243666 GNCDUMKKQGCGKK-UHFFFAOYSA-N 195.270 1.125 10 10 ADCE CO[C@@H](C)C[S@](=O)CCN=[N+]=[N-] 2241559749 PHEPNRLJIBKPSH-PWCHPLFNSA-N 191.256 1.080 10 10 ADCE C/N=N\c1ccc(N)cc1N 39048689 HGZVWLANKRTYKJ-KHPPLWFESA-N 150.185 1.565 10 10 ADCE CC[C@@H](N)c1ccc(O)c(O)c1O 71452011 GDOTYBGVLHJORD-ZCFIWIBFSA-N 183.207 1.213 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCCO1 83527973 HNDFXTASCJFVQG-ZCFIWIBFSA-N 141.174 1.866 10 10 ADCE Cc1ccc([C@H](N)CCO)c(O)c1C 95782934 BFYRFSJLKULPTJ-SNVBAGLBSA-N 195.262 1.391 10 10 ADCE CCC(=O)Nc1ccc(O)c(O)c1 238215599 CQAMXBLWAHUSDQ-UHFFFAOYSA-N 181.191 1.446 10 10 ADCE CC[C@@H](N)c1cc(O)cs1 238276498 PMKWIJSQHNOEOL-ZCFIWIBFSA-N 157.238 1.864 10 10 ADCE COc1ccc(O)c(O)c1Cl 238377197 OXILFZOJWFWSKR-UHFFFAOYSA-N 174.583 1.760 10 10 ADCE N[C@@H]1COc2c(Cl)ccc(O)c21 238647302 YUBDDWBKVTXNGO-RXMQYKEDSA-N 185.610 1.438 10 10 ADCE Cc1cc(O)c(O)cc1[C@H]1CCNC1 257838639 MXGKXURNOONBLC-QMMMGPOBSA-N 193.246 1.483 10 10 ADCE Cc1cc([C@H](C)O)c(O)c(O)c1C 258126539 RDDHWUUQVYJQMA-ZETCQYMHSA-N 182.219 1.768 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H]2CO[C@H]1O2 307035666 VIKKYVVEMWRGFW-ZLUOBGJFSA-N 155.157 1.201 10 10 ADCE CC[C@@]1(C)CN[C@@H](CN=[N+]=[N-])O1 885319393 VGHYYINUGWCWEJ-RQJHMYQMSA-N 170.216 1.411 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H]1CCSC1 1535684085 BVJDYLRDXUYMRE-WDSKDSINSA-N 173.241 1.411 10 10 ADCE Oc1cc(F)ccc1CN[C@@H]1C[C@@H]1F 1877991725 FSCXCQNGRHPDBU-DTWKUNHWSA-N 199.200 1.731 10 10 ADCE [N-]=[N+]=NC[C@H]1CC(F)(F)CN1 1880488652 MYLPAJLXQZNFPE-SCSAIBSYSA-N 162.143 1.294 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]2C1=O 1935422159 HLYVHPIYJDZCPM-RNFRBKRXSA-N 180.211 1.165 10 10 ADCE CN(C)c1ccc(CC=CCN)cc1 1951803302 TYQLUDWTBPOJBY-UHFFFAOYSA-N 190.290 1.810 10 10 ADCE C[C@H]1CNCCN1CCCCN=[N+]=[N-] 1957247622 TVBUAZRBXZSSQM-VIFPVBQESA-N 197.286 1.371 10 10 ADCE CCOc1ccc(O)c(O)c1N 2055139405 SLOXVIZBUUZLTP-UHFFFAOYSA-N 169.180 1.079 10 10 ADCE CCNCCc1ccc(O)c(O)c1 5853108 ZRNSCURSJJRPGN-UHFFFAOYSA-N 181.235 1.250 10 10 ADCE CC[C@@H]1CN(CCN=[N+]=[N-])CCO1 42415941 SLMYSAKGZXEPOI-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CC(C)Oc1ccc(O)c(CN)c1 71455257 NTENZUMYAIRKBC-UHFFFAOYSA-N 181.235 1.638 10 10 ADCE Oc1cccc2c1[C@H](C1CC1)NCC2 83660294 NFESTPFNKVYVKS-LBPRGKRZSA-N 189.258 1.989 10 10 ADCE C[C@@H](N)c1c(F)ccc(F)c1O 95716193 ISOLZAOJTHHHSR-SCSAIBSYSA-N 173.162 1.690 10 10 ADCE C[C@H]1OC(=O)/C(=C/O)[C@H]1C 100208763 NUSZIUPLMHUMPN-GHHLHPAVSA-N 142.154 1.010 10 10 ADCE Nc1ccc2ccc[n+]([O-])c2c1 115750723 GWPNMEINYMOKRR-UHFFFAOYSA-N 160.176 1.055 10 10 ADCE Nc1sccc1O 117024168 VGZREXZCXACRQU-UHFFFAOYSA-N 115.157 1.036 10 10 ADCE in-vitro C[C@@H](CCO)Nc1ccc(N)cc1 132299537 XALGWNCZABDGGS-QMMMGPOBSA-N 180.251 1.452 10 10 ADCE CC(=O)O[C@H]1CC=CO[C@@H]1CN=[N+]=[N-] 137680153 LIFVRJRIBLNKGP-JGVFFNPUSA-N 197.194 1.531 10 10 ADCE N[C@H](c1ccccc1O)C(F)F 212539772 DQSAQWFXFFYAGQ-SSDOTTSWSA-N 173.162 1.657 10 10 ADCE CC(=O)C(=O)c1cc[nH]c1C 238046082 IPYVELSTQCDIPE-UHFFFAOYSA-N 151.165 1.095 10 10 ADCE NCc1c(O)c(F)cc(F)c1F 258070465 UJONDPSJZMPGIB-UHFFFAOYSA-N 177.125 1.268 10 10 ADCE Cc1ccc(C(C)(C)CO)c(O)c1O 258173739 WBEQFRVDXRBJRV-UHFFFAOYSA-N 196.246 1.676 10 10 ADCE O=C1C=C[C@@H](Sc2nccs2)O1 306416900 SHFHMEMUCMIEQX-ZCFIWIBFSA-N 199.256 1.674 10 10 ADCE [N-]=[N+]=NCC/C=C/C=C\[C@@H](O)CCO 388971020 ADRULAOMRRNRSS-MWXDSYFZSA-N 197.238 1.543 10 10 ADCE O=[N+]([O-])/C(O)=C/c1ccc(O)c(O)c1 687751317 ZTKLAIMDWUZTCY-YWEYNIOJSA-N 197.146 1.231 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@]1(C)CO 694640985 ATKNXBAEJNBIMK-BDAKNGLRSA-N 198.270 1.247 10 10 ADCE [N-]=[N+]=NCCN1CC[C@]2(CCCO2)C1 885815072 ZDNMAYWAZQWYRC-SECBINFHSA-N 196.254 1.552 10 10 ADCE C[C@@H](F)CN1CC[C@@H](CN=[N+]=[N-])C1 1881792815 KBKWZTHAQKYKFG-SFYZADRCSA-N 186.234 1.977 10 10 ADCE Oc1cccc(F)c1CN[C@H]1C[C@H]1F 1887536484 JUTWASFVRCDIMY-BDAKNGLRSA-N 199.200 1.731 10 10 ADCE CC1(CO)CN(c2ccc(N)cc2)C1 1935362619 XBSPKRBTIPBOTI-UHFFFAOYSA-N 192.262 1.087 10 10 ADCE CN(CCCCN=[N+]=[N-])CC(C)(C)N 1957245291 WQWSQECJVIBLFW-UHFFFAOYSA-N 199.302 1.746 10 10 ADCE NC[C@@H]1CCc2c1ccc(O)c2O 29204804 MSELERFZQGXIMH-LURJTMIESA-N 179.219 1.086 10 10 ADCE CCOC(=O)/C=C/[C@H](N=[N+]=[N-])[C@H](C)O 34061417 UUJGMQPHJPNTLV-UGLWGPHMSA-N 199.210 1.165 10 10 ADCE CCOc1cccc([C@H](C)N)c1O 95684864 GQZZZBBJGMGNGY-ZETCQYMHSA-N 181.235 1.811 10 10 ADCE C[C@H](CO)N(C)c1ccc(N)cc1 123905096 WHESILLMNAIHCR-MRVPVSSYSA-N 180.251 1.086 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCC[C@H]1N 202017980 RGTLKLIXHSTFSL-RNFRBKRXSA-N 154.217 1.814 10 10 ADCE Nc1c(O)c(O)cc2c1CCC2 212210904 PYMAYKLYOSNVOG-UHFFFAOYSA-N 165.192 1.169 10 10 ADCE Oc1cccc2c1CN(C1CC1)C2 221264533 LWEXZDXQIJOVNQ-UHFFFAOYSA-N 175.231 1.870 10 10 ADCE Nc1ccc(N2CCC[C@H](N)C2)cc1 259680307 JBPJSTLDIIDFPG-JTQLQIEISA-N 191.278 1.196 10 10 ADCE CC[C@@H](N)[C@H](N)c1ccccc1O 306934771 DGFSUBXYDKDANR-PSASIEDQSA-N 180.251 1.129 10 10 ADCE Cc1ccc([C@@H](CCO)NO)c(O)c1 308570677 DTMRXJFNWMMOKT-SECBINFHSA-N 197.234 1.103 10 10 ADCE CC[C@@]1(CN=[N+]=[N-])CCNC1=O 521401241 VWOHHNCCMNPDQW-ZETCQYMHSA-N 168.200 1.213 10 10 ADCE C[C@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 1882184568 BQCGFZVHGXIWBB-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1C[C@@H]1F 1887717556 LUQJMAHMUFBRSF-SFYZADRCSA-N 186.234 1.977 10 10 ADCE C[C@H](c1ccccc1O)N(C)C(=N)N 1889467714 QYNNAZCDGAOTPS-SSDOTTSWSA-N 193.250 1.278 10 10 ADCE COCCCN1CC[C@H](N=[N+]=[N-])C1 1912173088 YTADRFWCDDMVSA-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE [N-]=[N+]=NC[C@H]1COCCCO1 1912186382 CWQAHMOHEWIPDQ-LURJTMIESA-N 157.173 1.102 10 10 ADCE CC(=O)C(=O)[C@H](O)c1ccccc1F 1929121867 KVGGDLATSIOJHM-SNVBAGLBSA-N 196.177 1.017 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H](C)C[C@@H]1C 1929169237 CTDMPVXPPQWPPG-FYBVGQRMSA-N 198.262 1.332 10 10 ADCE C[C@@H](CN=[N+]=[N-])CNC1CC1 1953297629 XGYYIHFGVOPBHV-ZCFIWIBFSA-N 154.217 1.685 10 10 ADCE [N-]=[N+]=NCCCN1N[C@H]2CC[C@H]1C2 1954208956 WDICZIZCBIPJTP-YUMQZZPRSA-N 181.243 1.428 10 10 ADCE CCn1ccnc1C=C(C)CCNC 1956567759 FBCNDUKTOCNRFW-UHFFFAOYSA-N 193.294 1.916 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1C[C@H]2CN 1957248820 GILOTJIEFDKTDH-YIZRAAEISA-N 195.270 1.108 10 10 ADCE CN1C=Cc2cccc(O)c2C1 82187439 XJFOVFNCLRMANV-UHFFFAOYSA-N 161.204 1.808 10 10 ADCE Cc1cc(N)c(O)c(CN(C)C)c1 82872846 PHPVPONGFKDYBH-UHFFFAOYSA-N 180.251 1.344 10 10 ADCE C[C@H]1NCCc2cccc(O)c21 83659489 CZYLNIBOLRJVSQ-SSDOTTSWSA-N 163.220 1.599 10 10 ADCE Oc1cccc(F)c1[C@H]1COCCN1 95692763 HDSSUDRVMLJWLO-MRVPVSSYSA-N 197.209 1.192 10 10 ADCE CC(=S)/C=C1\NCCS1 138268723 MUMCQQSDRHNXAU-GQCTYLIASA-N 159.279 1.554 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCC[C@H]1N 202017936 RGTLKLIXHSTFSL-NKWVEPMBSA-N 154.217 1.814 10 10 ADCE C[C@H](N)c1c(C(=O)O)ccc(F)c1O 211723997 UCZAWPNUHUZPKI-BYPYZUCNSA-N 199.181 1.249 10 10 ADCE CCCC(=O)C(=O)c1cccnc1 218937075 MQJRUAROOHGMCT-UHFFFAOYSA-N 177.203 1.634 10 10 ADCE COC(=O)C/C=C/N=[N+]=[N-] 225675402 BGNBRLKEPLUKKI-DUXPYHPUSA-N 141.130 1.374 10 10 ADCE Cc1noc(Nc2ccc(N)cc2)n1 235968180 STKIIJSFGITDOK-UHFFFAOYSA-N 190.206 1.704 10 10 ADCE CCc1cccc([C@@H](N)COC)c1O 238303659 YXOXSXJBIJEUES-JTQLQIEISA-N 195.262 1.601 10 10 ADCE COP(=O)(OC)[C@H](O)CN=[N+]=[N-] 238360824 SBAWGRKBKHYVGB-BYPYZUCNSA-N 195.115 1.101 10 10 ADCE COc1cccc([C@@H]2CCCN2)c1O 238404303 KFDYQIWYVJNJQI-VIFPVBQESA-N 193.246 1.825 10 10 ADCE Cc1cc(CCCN)c(O)c(O)c1C 258024784 IOWLDHUORLPMOC-UHFFFAOYSA-N 195.262 1.606 10 10 ADCE CONCc1ccc(C)c(C)c1O 258103899 YGAVIULZHVSEFR-UHFFFAOYSA-N 181.235 1.660 10 10 ADCE Oc1ccccc1[C@@H]1CCON1 258548049 PCQHXPXNXIZYKR-QMMMGPOBSA-N 165.192 1.358 10 10 ADCE CN(C)N=Nc1cccc(CO)c1 308150969 HWVTYSOZZKUWGJ-UHFFFAOYSA-N 179.223 1.739 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](C2CC2)CC1=O 690836519 NDXKUTRXXNHGRA-MRVPVSSYSA-N 194.238 1.555 10 10 ADCE C[C@H]1C[C@]1(C)C(=O)NCCN=[N+]=[N-] 704353576 BCGYWBIVWBKLIU-XPUUQOCRSA-N 182.227 1.459 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@@H](N)CCN1C1CCC1 712359350 YMANLDFANWBYDA-IUCAKERBSA-N 195.270 1.251 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2COC[C@@H]2C1 718182610 JUBKCLPKFRXLEI-IUCAKERBSA-N 196.254 1.265 10 10 ADCE O=[N+]([O-])Cc1c(O)cccc1Cl 1536170224 OCFTXMLYOBFPCH-UHFFFAOYSA-N 187.582 1.822 10 10 ADCE CCN[C@@H](C)CN=[N+]=[N-] 1879992143 ZULZITLDUBLHLK-YFKPBYRVSA-N 128.179 1.295 10 10 ADCE C[C@H](CO)N1CCC[C@@H]1CN=[N+]=[N-] 1882184915 DQIQGIJMILSTLE-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE CNC1CC(Oc2ccc(N)cc2)C1 1896302472 DCYXNIQQLSBQMZ-UHFFFAOYSA-N 192.262 1.398 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCCOC2)C1 1912201009 OKSSBCRSDRAGID-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE Cc1nocc1[C@H](CO)N=[N+]=[N-] 1951606138 WBUYVPIBYIIMBS-LURJTMIESA-N 168.156 1.327 10 10 ADCE CC(=O)C(=O)[C@@H](O)C12CCC(CC1)C2 1955359787 JBQSNXBKAFDEFV-LDGBHUKOSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=NCCN1CCC(CCN)CC1 1957245542 YKWAHBYIVIARJD-UHFFFAOYSA-N 197.286 1.358 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H]1CCC[C@H]1O 2209410097 GLXZZNGJQBNUMH-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CS(=O)(=O)[C@H]1C[C@H](CN=[N+]=[N-])C1 2241670518 FSZAHTQTYPKCTR-IZLXSQMJSA-N 189.240 1.120 10 10 ADCE [N-]=[N+]=NCc1cc[nH]c(=N)c1F 2241879838 YOGOWNZANHKMNS-UHFFFAOYSA-N 167.147 1.444 10 10 ADCE CCCc1cc(O)c(O)c(O)c1 59644613 VDAIVYPWYSEYDS-UHFFFAOYSA-N 168.192 1.756 10 10 ADCE NCc1c(O)ccc2ccoc12 82404677 SBGRTOGNZTZDQN-UHFFFAOYSA-N 163.176 1.597 10 10 ADCE C[C@@H]1C[C@@H](c2ccc(O)c(O)c2)CN1 82892604 KAAJSHDDAUFGPE-VXNVDRBHSA-N 193.246 1.563 10 10 ADCE N[C@@H](CC1CC1)c1cccc(O)c1O 95673874 DKADOWPDJBMSSI-VIFPVBQESA-N 193.246 1.898 10 10 ADCE Cc1ccc2c(c1)/C(=C/O)C(=O)N2 103951836 HLAUPONJDTVWSI-YVMONPNESA-N 175.187 1.846 10 10 ADCE CC[C@H](N)c1ccc(C(=O)O)cc1O 104483873 KGXLTSCJPZXHFA-QMMMGPOBSA-N 195.218 1.500 10 10 ADCE Cc1cc(O)c(CC(=O)O)s1 106082475 GVMVTPCNMNQKQQ-UHFFFAOYSA-N 172.205 1.389 10 10 ADCE Nc1ccc(N[C@H]2CCNC2)cc1 204272748 YYSIBRIVDTXMTH-JTQLQIEISA-N 177.251 1.043 10 10 ADCE C[C@@H](F)c1cccc(CN)c1O 212387578 UJIDHZKPGPDLTA-ZCFIWIBFSA-N 169.199 1.881 10 10 ADCE Oc1ccc([C@@H]2CCCN2)c(O)c1F 214874315 JSBXIWYJJKQLED-ZETCQYMHSA-N 197.209 1.661 10 10 ADCE CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])CCC[C@H]1O 238104768 BPLLFKUKJPRMCU-XLPZGREQSA-N 199.210 1.142 10 10 ADCE Cc1cc([C@@H](C)CO)cc(O)c1O 258080667 NBLDSBJMAUXQAR-ZETCQYMHSA-N 182.219 1.502 10 10 ADCE Cc1c(C2(N)CC2)cc(O)c(O)c1C 258181667 WOHHUZRBSBLUJO-UHFFFAOYSA-N 193.246 1.662 10 10 ADCE [N-]=[N+]=Cc1cnc2ccccc2n1 307526931 KBIQOAIWBNQAHN-UHFFFAOYSA-N 170.175 1.279 10 10 ADCE CCn1ccnc1/C=C1\CN[C@@H](C)C1 953023222 KGJSQXRRYOZDTN-CBFJXKFUSA-N 191.278 1.668 10 10 ADCE CCn1cnc(CN=[N+]=[N-])n1 1880306310 XTEBRZLMSPHRIE-UHFFFAOYSA-N 152.161 1.108 10 10 ADCE CC[C@@H](Oc1ccc(N)cc1)[C@H](C)N 1896269065 PTTMMMVAPRRDLI-GZMMTYOYSA-N 194.278 1.773 10 10 ADCE CCCC(=CO)C(=O)OCC 1911537149 NTISGOWDWXRNDS-UHFFFAOYSA-N 158.197 1.792 10 10 ADCE Oc1cccc(O)c1[C@@H]1NCC[C@@H]1F 1952824909 FREQNVSOHACPPD-QUBYGPBYSA-N 197.209 1.470 10 10 ADCE N[C@H]1C[C@H](c2ccc(O)c(O)c2)C1 1952825570 LXYQBABLSRSWQI-ZKCHVHJHSA-N 179.219 1.303 10 10 ADCE C[C@H]1[C@H](N)CCCN1CCN=[N+]=[N-] 1954206722 LCLSNXLDALDQDD-JGVFFNPUSA-N 183.259 1.108 10 10 ADCE CCOc1cc(O)c(O)c([N+](=O)[O-])c1 2054936768 QZGMMDJDJIGRIM-UHFFFAOYSA-N 199.162 1.405 10 10 ADCE CCN(C)c1ccc(O)c(O)c1 9915785 MQHSIOMUVIZRPL-UHFFFAOYSA-N 167.208 1.554 10 10 ADCE Oc1cc2cccnc2cc1O 34466958 IFMZKCMCMMMEKQ-UHFFFAOYSA-N 161.160 1.646 10 10 ADCE O=C1Cc2cc(F)ccc2C1=O 34540233 FLHLDRIACZGYIJ-UHFFFAOYSA-N 164.135 1.134 10 10 ADCE CNCCCNc1ccc(N)cc1 35064788 IRCLMKSZIPPCKD-UHFFFAOYSA-N 179.267 1.290 10 10 ADCE CC[C@H](CCN)c1ccc(O)c(O)c1 84357540 DWQPMONVNULOOW-MRVPVSSYSA-N 195.262 1.940 10 10 ADCE N[C@@H](CO)c1cc2occc2cc1O 107356350 HDQFFTZIUHUQTH-QMMMGPOBSA-N 193.202 1.131 10 10 ADCE [N-]=[N+]=N[C@H]1c2ccccc2C[C@@H]1O 137069491 GGUSIXKVMSRGIH-IUCAKERBSA-N 175.191 1.955 10 10 ADCE C[C@H]1CCc2cccc(O)c2CN1 219503421 LLKCCJOXOMICMK-QMMMGPOBSA-N 177.247 1.817 10 10 ADCE C[C@@H](c1c[nH]cn1)[C@@H](N=[N+]=[N-])C(=O)O 238477818 DNNXBGQXWYYNDT-UJURSFKZSA-N 195.182 1.277 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H]1CCOC1 379345108 BRCRIHFLOYXTNL-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CCC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403600728 DKSVRWMOVGJRBO-SSDOTTSWSA-N 182.227 1.698 10 10 ADCE Cc1nc([C@H](CO)N=[N+]=[N-])oc1C 1535712829 YHIPXCYWXCGUKX-LURJTMIESA-N 182.183 1.635 10 10 ADCE CCNC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912153565 HJZZJHLEYFASIL-LURJTMIESA-N 183.215 1.101 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCC[C@@H]1N 1953297322 UMDFNSPAASQXBV-NKWVEPMBSA-N 154.217 1.957 10 10 ADCE CC[C@@H](N)[C@H](N=[N+]=[N-])c1cnn(C)c1 1956947296 NXDHDOGSGDPMEB-HTQZYQBOSA-N 194.242 1.509 10 10 ADCE O=C1c2ccccc2-c2nnccc21 13743538 MNGSKNUHZZSDIM-UHFFFAOYSA-N 182.182 1.688 10 10 ADCE CC(C)(CO)N=[N+]=[N-] 39235531 XGYJFAGVJIIBIY-UHFFFAOYSA-N 115.136 1.068 10 10 ADCE C[C@@H]1CN[C@H](c2ccc(O)c(O)c2)C1 82388158 GUMREPMMBIOQNY-CBAPKCEASA-N 193.246 1.768 10 10 ADCE Cc1ocnc1CN=[N+]=[N-] 128550324 HJZLHLJTNLFAHC-UHFFFAOYSA-N 138.130 1.793 10 10 ADCE CC[C@@H]1C[C@@]1(N)c1ccccc1O 212717592 DRGUZRZVIQTZKA-KCJUWKMLSA-N 177.247 1.976 10 10 ADCE N[C@H](CCO)c1cc(CF)ccc1O 214164655 WXCCFDPXDGWANS-SECBINFHSA-N 199.225 1.244 10 10 ADCE C[C@H](CO)[C@@H](C)Nc1ccccc1N 228695920 PBSFETYRLPVXOT-RKDXNWHRSA-N 194.278 1.698 10 10 ADCE CNC(=O)NCCCCN=[N+]=[N-] 231733167 OLGBAKXLTYPRGV-UHFFFAOYSA-N 171.204 1.006 10 10 ADCE CN[C@@H](CO)c1cc(C)cc(C)c1O 238358617 OZNHPAUKLLMHSF-JTQLQIEISA-N 195.262 1.262 10 10 ADCE COC[C@@H](N)c1cc(C)cc(C)c1O 238376185 BUBIGFIBMUZRED-SNVBAGLBSA-N 195.262 1.655 10 10 ADCE Cc1cc(C)c(O)c([C@@H](N)[C@@H](C)O)c1 238452883 IMLWTYYEGIVXQN-SCZZXKLOSA-N 195.262 1.390 10 10 ADCE Nc1ccc2c(c1O)[C@@H](N)CCC2 238589939 VLWBCQIJSXXGCV-ZETCQYMHSA-N 178.235 1.311 10 10 ADCE Nc1ccc(N2OCCCC2=O)cc1 257814228 CMBQTZSCNKQGNJ-UHFFFAOYSA-N 192.218 1.327 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@@H]2COC[C@H]12 1880066747 LYRPEOMHEYYJHK-STNDOWJSSA-N 139.158 1.189 10 10 ADCE [N-]=[N+]=NC[C@@]12CC[C@@H](CO1)C2 1880391188 GOTDUOVAZJKWFW-RQJHMYQMSA-N 153.185 1.866 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1CCCO 1882186288 NYDOWPCBUNJXDD-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE Nc1ccc(N[C@H]2[C@H]3OCC[C@@H]32)cc1 1884448599 GMYWRURRYJHDLB-MXWKQRLJSA-N 190.246 1.468 10 10 ADCE CC(C)(O)C1CN(CCCN=[N+]=[N-])C1 1912187736 JFGZFYBVBBVWBL-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE Cc1ccc(O)c([C@@H]2CC(=O)N2)c1 1951660886 QIUXGBIOFJJILD-QMMMGPOBSA-N 177.203 1.262 10 10 ADCE Cc1ccc(O)c([C@@H]2C[C@@H](O)CN2)c1 1952058141 AIGVUAGJCMHGGP-SCZZXKLOSA-N 193.246 1.096 10 10 ADCE [N-]=[N+]=N[C@H]1CCC2(CC2)[C@H]1O 1953329039 RYEIPWASSZKSCF-WDSKDSINSA-N 153.185 1.600 10 10 ADCE Nc1ccc(OC[C@H]2CC[C@@H]2N)cc1 2209477996 QIQJGTZOPGBTNO-KCJUWKMLSA-N 192.262 1.385 10 10 ADCE [N-]=[N+]=NCCCN1CC(CCCO)C1 2210011564 GTYQRYNANNTRJM-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE OC(O)=C/N=N\c1ncc[nH]1 39057744 BHPLECRIUUFNLP-HJWRWDBZSA-N 154.129 1.408 10 10 ADCE COc1ccc(N2CC[C@H]2C)cc1N 86662866 RGMWKFIONLBIKS-MRVPVSSYSA-N 192.262 1.876 10 10 ADCE N[C@@H](CO)c1cc2ccoc2cc1O 107356334 IACDZKBIKICSOR-QMMMGPOBSA-N 193.202 1.131 10 10 ADCE [N-]=[N+]=NCOc1ccc(CO)cc1 197081429 VPYRKVAMNYZIHH-UHFFFAOYSA-N 179.179 1.826 10 10 ADCE Cc1ccc(F)c(C2(N)CC2)c1O 214261359 DYOVVSFYKWISBU-UHFFFAOYSA-N 181.210 1.788 10 10 ADCE COC(=O)[C@@H]1CC[C@@H](CN=[N+]=[N-])O1 238336813 WDJWHSLMTIZCNP-WDSKDSINSA-N 185.183 1.017 10 10 ADCE [N-]=[N+]=N[C@@H](CO)Cc1ccc(O)cc1 238699392 WWCGPZZFXQXONV-MRVPVSSYSA-N 193.206 1.606 10 10 ADCE CCNC(=S)Nc1ccc(N)cc1 243758376 QAHSRFDLBNKQBT-UHFFFAOYSA-N 195.291 1.575 10 10 ADCE [N-]=[N+]=NCc1ccc(O)c(N)c1 259250698 AICFRNNLBCHDLS-UHFFFAOYSA-N 164.168 1.785 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]2CO[C@H]1O2 307035665 VIKKYVVEMWRGFW-JKUQZMGJSA-N 155.157 1.201 10 10 ADCE CC(=O)O[C@@H]1[C@H](F)CC[C@H]1N=[N+]=[N-] 307393992 CIIKSCPRMYMAEY-FSDSQADBSA-N 187.174 1.729 10 10 ADCE Nc1cc(O)c(O)c2sccc12 307508557 UPICQKUSGBZJHP-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE [N-]=[N+]=NCCN1C2CCC1CC2 307512428 XZTDGGBOSWMWAB-UHFFFAOYSA-N 166.228 1.924 10 10 ADCE Cc1occc1-c1nn(C)c(N)c1F 606268115 NZHYTQHIBKBCAR-UHFFFAOYSA-N 195.197 1.710 10 10 ADCE CC[C@@H](N)C(=O)[C-]1C(C)=C=S=C1C 885870917 PKIUJHSKUSVPFT-MRVPVSSYSA-N 196.295 1.154 10 10 ADCE CC(C)(C)[C@H]1C[C@@H](N=[N+]=[N-])C(=O)N1 1772716610 IYWXFRVPIGPBIW-PHDIDXHHSA-N 182.227 1.600 10 10 ADCE CNCCSCc1ccc(N)cc1 1883313522 DKGYSOJCXHRSHZ-UHFFFAOYSA-N 196.319 1.721 10 10 ADCE CN(C)CCCN1CC[C@@H](N=[N+]=[N-])C1 1912193790 QNFJXNSVCYKBQQ-SECBINFHSA-N 197.286 1.323 10 10 ADCE C[C@@H](C(=O)O)N1CCC(N=[N+]=[N-])CC1 1912207303 WRVRQJXMOXCFFW-LURJTMIESA-N 198.226 1.234 10 10 ADCE CC[C@H](OC)[C@@H](N)c1ccccc1O 1928472629 RWFOWPMOHZWCNA-QWRGUYRKSA-N 195.262 1.817 10 10 ADCE Oc1cc(-c2cnc[nH]2)cc(O)c1O 1952157174 HUQMYJRSSXZHGZ-UHFFFAOYSA-N 192.174 1.194 10 10 ADCE Oc1c(F)cccc1[C@@H]1C[C@@H](F)CN1 1952889505 GBGWWXTWIKJOOB-MUWHJKNJSA-N 199.200 1.904 10 10 ADCE CCOc1cc(N)cc(O)c1O 2055141934 JBWBRINAKSLLKY-UHFFFAOYSA-N 169.180 1.079 10 10 ADCE CON(CCCN=[N+]=[N-])CC1CC1 2242158964 PHNMHUGOWQJLKE-UHFFFAOYSA-N 184.243 1.960 10 10 ADCE NCc1ccc(O)c([C@H]2CCCN2)c1 72201638 QBFSQUPNYCBLCN-SNVBAGLBSA-N 192.262 1.275 10 10 ADCE C[C@H]1CNc2cc(O)c(O)cc2N1C 76636055 SOVCXLFPEZBFJW-LURJTMIESA-N 194.234 1.348 10 10 ADCE CC[C@@H](CCN)c1ccc(O)c(O)c1 84357537 DWQPMONVNULOOW-QMMMGPOBSA-N 195.262 1.940 10 10 ADCE COC(=O)[C@@]1(/N=N/C2CC2)CC12CC2 100053263 IOHUYOQAZPJXJS-IUZMTQGWSA-N 194.234 1.697 10 10 ADCE CC(C)OC(=O)[C@H](C)N=[N+]=[N-] 108412470 VOOYHNAXIYGAMY-YFKPBYRVSA-N 157.173 1.637 10 10 ADCE CCN1C(=O)/C(=C/O)c2ccccc21 138666825 IBOFTICVBLSLQF-VQHVLOKHSA-N 189.214 1.952 10 10 ADCE C[C@@H](F)c1ccc(O)c(CN)c1 212388666 FGVMTGNBPHOCBC-ZCFIWIBFSA-N 169.199 1.881 10 10 ADCE NC1(c2cc3c(cc2O)CCC3)CC1 214564366 VCNGGBRHQWQUKD-UHFFFAOYSA-N 189.258 1.829 10 10 ADCE COc1ccc2c(c1O)[C@H](N)CCO2 238353286 BTEHXTALOFADFK-ZCFIWIBFSA-N 195.218 1.183 10 10 ADCE CC1CC(N)(c2ccccc2O)C1 259530648 BCKKXHQNKDRMSM-UHFFFAOYSA-N 177.247 1.976 10 10 ADCE Nc1ccccc1N[C@@H]1CCC[C@@H]1O 306486110 OGXDHAYKRYIOIE-MNOVXSKESA-N 192.262 1.594 10 10 ADCE Nc1ccc(CO)c2c(O)csc12 307265424 KJFTYWGJVKRZSA-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE COc1ccc(N2CCC2)c(N)c1 307304982 WZZFWJQNKDMQJF-UHFFFAOYSA-N 178.235 1.488 10 10 ADCE CC1CC(C(=O)NCCCN=[N+]=[N-])C1 700793496 HBHGGTUSADLFFY-UHFFFAOYSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H]1C[C@H]2CC[C@H]1O2 1535713316 IVUPDVDMQUGTGA-OOJXKGFFSA-N 183.211 1.225 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@@H]1CCCCO1 1535860057 BYJQWDGMIZJSDH-RQJHMYQMSA-N 171.200 1.227 10 10 ADCE CN(CCCN=[N+]=[N-])CC1(CO)CC1 1912153423 BKERRLHGOXCFCQ-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE CC1(C)COC[C@@H](N=[N+]=[N-])[C@@H]1O 1912154633 CVKKHUYKOATSTM-RITPCOANSA-N 171.200 1.083 10 10 ADCE Nc1ccc(CNC2CSC2)cc1 1929715547 XKBQPMPCQNPHDK-UHFFFAOYSA-N 194.303 1.474 10 10 ADCE CC(=O)C(=O)c1cc(F)ccc1O 1951521470 HYTSKFCSBVOCSQ-UHFFFAOYSA-N 182.150 1.303 10 10 ADCE CN=c1cc(C)c(CN=[N+]=[N-])c[nH]1 1954831268 BKNVVFOZSSMKDJ-UHFFFAOYSA-N 177.211 1.664 10 10 ADCE COC1(CN(C)CCN=[N+]=[N-])CCC1 1956517409 GPWOANMZKKKBDB-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCCS[C@H]1CC[C@@H]1O 2242409893 SPZNNORPPFHSGR-WDSKDSINSA-N 173.241 1.553 10 10 ADCE C[C@H]1C[C@H](CN=[N+]=[N-])OC1=O 34599076 HWTOFXWZDDBLCN-CRCLSJGQSA-N 155.157 1.248 10 10 ADCE CNCc1cc(OC(C)C)ccc1O 82722686 HEZDMDVDUJPLSX-UHFFFAOYSA-N 195.262 1.899 10 10 ADCE CCOC(=O)/C(Br)=C/O 144592546 DPZFKDBCMCWFOE-ARJAWSKDSA-N 195.012 1.344 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1ccc(F)cn1 156603156 XMRCOXKPKYVRCZ-SSDOTTSWSA-N 182.158 1.564 10 10 ADCE CC(C)N[C@@H](CN)c1ccccc1O 257843899 MZVXJZNLNWFZNI-JTQLQIEISA-N 194.278 1.390 10 10 ADCE Cc1ccc(C[C@H](C)O)c(O)c1O 257960407 BVFKLECNIUIIEL-ZETCQYMHSA-N 182.219 1.330 10 10 ADCE Oc1ccc(F)c([C@H]2CCNC2)c1O 257996655 GBDMEKXOLQCINY-LURJTMIESA-N 197.209 1.314 10 10 ADCE C[C@@H]1CO[C@](C)(c2ccccc2O)N1 258505424 MFKUJYCFJLXPBP-LDYMZIIASA-N 193.246 1.573 10 10 ADCE CCOc1ccc(N2C[C@H]2CN)cc1 259139019 AYOSEGZDQQYTQD-VUUHIHSGSA-N 192.262 1.233 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2C[C@H]2[C@H]1CCO 307529104 LGCLEZGAQFGFIB-LXGUWJNJSA-N 167.212 1.704 10 10 ADCE Cc1ncncc1CN=[N+]=[N-] 1535734841 RFVXIMSJDHFZFZ-UHFFFAOYSA-N 149.157 1.595 10 10 ADCE Nc1cccc(F)c1N[C@H]1CC[C@@H]1N 1888904826 GFRRIIBRFBCLRB-CBAPKCEASA-N 195.241 1.310 10 10 ADCE C[C@]1(O)CCC[C@H]1N1CC(N=[N+]=[N-])C1 1912191291 PUFCDMWCCXSYFE-BDAKNGLRSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@H](O)C1 1953978539 DAUMTAWSLKQELK-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE C[C@@H]1C[C@@H](CN(C)CCN=[N+]=[N-])CO1 1955206557 ZMFZRARIBRIXDF-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE C[C@]12CN(CCN=[N+]=[N-])C[C@@]1(CO)C2 1956311367 AKEWYLPCSKWIPL-DTWKUNHWSA-N 196.254 1.001 10 10 ADCE CNC[C@H]1CCCN1CCCN=[N+]=[N-] 1957249395 JZMFDHBJUFDMJO-SECBINFHSA-N 197.286 1.371 10 10 ADCE Oc1ccc2nccnc2c1O 39134315 IEINSIHCCWSJFT-UHFFFAOYSA-N 162.148 1.041 10 10 ADCE Nc1ccc(CC[C@H]2CCCN2)cc1 71494141 IZKXGSIGWOBLHQ-GFCCVEGCSA-N 190.290 1.953 10 10 ADCE Cc1ccc(O)c([C@H]2CNC(=O)N2)c1 95689466 BMPUUNHZKYSAQM-MRVPVSSYSA-N 192.218 1.055 10 10 ADCE N[C@@H]1CCCc2c(F)ccc(O)c21 104526331 AVDSKSURNPVGTO-MRVPVSSYSA-N 181.210 1.867 10 10 ADCE CCN(C(=O)CN=[N+]=[N-])C1CC1 104703428 JMVRCKBTOJDIRV-UHFFFAOYSA-N 168.200 1.308 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C(=O)c1ccccc1 137225892 VFKLUGXEYZCXFW-MRVPVSSYSA-N 191.190 1.541 10 10 ADCE CCONCc1cccc(F)c1O 159154757 OHFSNNLKDACTSP-UHFFFAOYSA-N 185.198 1.572 10 10 ADCE CNCc1ccc(N(C)C)cc1OC 203168790 UKFYKCZAERJFRK-UHFFFAOYSA-N 194.278 1.481 10 10 ADCE Cc1c(F)ccc(O)c1C1(N)CC1 214261444 ZAYMVOCSOZGBCO-UHFFFAOYSA-N 181.210 1.788 10 10 ADCE COC1=N[C@H](CN=[N+]=[N-])CC1 238380923 WTMLMAMCRBTACI-YFKPBYRVSA-N 154.173 1.504 10 10 ADCE Cc1cccc(O)c1[C@](C)(N)CCO 238537321 VZUZQDACBGDMJJ-LLVKDONJSA-N 195.262 1.257 10 10 ADCE Cc1cc(F)cc(CNO)c1O 257972641 IMEJYTLCRTYMFA-UHFFFAOYSA-N 171.171 1.319 10 10 ADCE O=C1/C(=C/O)CCN1c1ccccc1 379487069 KGFRDCRFHBQQAG-CMDGGOBGSA-N 189.214 1.865 10 10 ADCE CN=N/C=C1\C=CC=CN1 383545378 AKDAOZFGAJNFRW-OAFDFZECSA-N 135.170 1.583 10 10 ADCE [N-]=[N+]=NC[C@H]1CC2(CCNCC2)CO1 536959288 YVRJYTJELNFJMU-MRVPVSSYSA-N 196.254 1.455 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)C1CC1 701154686 ANJLUSDCVLUFEB-MRVPVSSYSA-N 194.238 1.698 10 10 ADCE CC(=O)CCc1ccc(O)c(O)c1O 1535830903 UXKIHISUWZNQFN-UHFFFAOYSA-N 196.202 1.325 10 10 ADCE CCN(CCN=[N+]=[N-])Cc1ccno1 1887717299 ILNNFLKSGBMAHD-UHFFFAOYSA-N 195.226 1.807 10 10 ADCE COC(=O)C=Cc1ccc(O)c(O)c1 1911646989 OCNYGKNIVPVPPX-UHFFFAOYSA-N 194.186 1.284 10 10 ADCE [N-]=[N+]=NC1CN(C[C@@H]2CC2(F)F)C1 1912204653 BVZZXSUUMFQMDT-YFKPBYRVSA-N 188.181 1.636 10 10 ADCE N[C@@]1(c2ccccc2O)CC[C@@H]2C[C@@H]21 1928471405 UXQLPDZLSMAWCZ-UBHAPETDSA-N 189.258 1.976 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H](C)C[C@H]1C 1929169239 CTDMPVXPPQWPPG-RNSXUZJQSA-N 198.262 1.332 10 10 ADCE CC(C)N(CCN)CCCCN=[N+]=[N-] 1957247798 WRJNXXQZUICSER-UHFFFAOYSA-N 199.302 1.746 10 10 ADCE COCCCOCc1ccc(N)cc1 37746892 PJSVZKWNBCHFLR-UHFFFAOYSA-N 195.262 1.822 10 10 ADCE Oc1ccc([C@@H]2CCN2)cc1O 44257435 SVBPIKHBDCLYRI-ZETCQYMHSA-N 165.192 1.132 10 10 ADCE CC[C@H](N)c1cc(O)ccc1O 95673067 RDSAKAJVMVZYFG-QMMMGPOBSA-N 167.208 1.508 10 10 ADCE Cc1c(F)ccc(O)c1[C@H]1CCN1 104575457 HUTJPDIIXXTXHJ-MRVPVSSYSA-N 181.210 1.874 10 10 ADCE CNCc1c(O)cccc1COC 107342116 WPSPKBRUIMCMPO-UHFFFAOYSA-N 181.235 1.258 10 10 ADCE [N-]=[N+]=Cc1ccnc2ccccc12 196294398 VRCYXWWMUZDWNL-UHFFFAOYSA-N 169.187 1.884 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[S@]1=O 196439810 QRZVTRDZBKPOSG-ALFREKQPSA-N 145.187 1.165 10 10 ADCE CCNCCNc1ccc(N)cc1 205463604 BQBOBABQSYBADX-UHFFFAOYSA-N 179.267 1.290 10 10 ADCE Cc1cc(O)c2c(c1)CCNC2 212166781 PLYGFFNETYRFQB-UHFFFAOYSA-N 163.220 1.346 10 10 ADCE CC(=O)CSc1ccc(O)c(O)c1 238112233 AVSOOMXJPKWVTE-UHFFFAOYSA-N 198.243 1.779 10 10 ADCE CC(C)[C@@H](N)c1c(O)cccc1CO 238167496 IXKREYUAPLSTPZ-LLVKDONJSA-N 195.262 1.540 10 10 ADCE C[C@H](CN=[N+]=[N-])[C@@H]1C=CCO1 238415855 CKQYQYJBKRQFEN-RQJHMYQMSA-N 153.185 1.888 10 10 ADCE CC(=O)O[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2N=[N+]=[N-] 306470363 QKRALCMUKCPNDG-IWMMPAJRSA-N 193.206 1.493 10 10 ADCE Nc1ccc(O[C@@H]2CCCO2)cc1 606254840 YBJBWPIYXDOYJR-SNVBAGLBSA-N 179.219 1.784 10 10 ADCE CCC[C@](N)(CO)c1ccccc1O 714093742 ZPRDMDAZZICDRM-NSHDSACASA-N 195.262 1.339 10 10 ADCE CC[C@@H]1N[C@@H](CN=[N+]=[N-])OC1(C)C 885456332 CSODYLHMAPEEJZ-NKWVEPMBSA-N 184.243 1.800 10 10 ADCE CC(=O)C(=O)[C@](C)(O)[C@H]1CCC1(C)C 1887663856 KIDBUZSSPUTIGK-GZMMTYOYSA-N 198.262 1.332 10 10 ADCE C[C@]1(c2cc(F)ccc2O)CC(=O)N1 1951873439 SWFBAJVTQKNLMZ-SNVBAGLBSA-N 195.193 1.266 10 10 ADCE CC(=O)C(=O)[C@@H]1CCc2ccccc21 1951988357 YOJKLMJMJPHOMO-LLVKDONJSA-N 188.226 1.875 10 10 ADCE N[C@H](c1c(O)cccc1O)C(F)F 1952391586 OQHQAXBZJWBKPT-SSDOTTSWSA-N 189.161 1.363 10 10 ADCE CNC(C)(C)[C@@H](N)c1ccccc1O 1956167923 ZRLQDBNEQBIONJ-JTQLQIEISA-N 194.278 1.390 10 10 ADCE C[C@@H](O)[C@@H]1C[C@@H]1Nc1ccc(N)cc1 2297128140 WAGJGIAMJRAQNF-GGVZMXCHSA-N 192.262 1.450 10 10 ADCE Nc1ccc(CC[N+](=O)[O-])cc1 2244072 VDABVMSUEPVBJI-UHFFFAOYSA-N 166.180 1.088 10 10 ADCE Oc1ccc(C[C@@H]2CCCN2)cc1O 71482755 WJZFNJWSFVVCNO-VIFPVBQESA-N 193.246 1.392 10 10 ADCE CC[C@H](C)/C=C1/C(=O)NN=C1C 90413806 SBWYEYVGWHVPHX-YTDSJMIDSA-N 166.224 1.465 10 10 ADCE Cc1cc(O)c([C@H]2CCNC2)s1 108295910 NXLPDPZXPAMQIO-ZETCQYMHSA-N 183.276 1.839 10 10 ADCE CCc1cc(O)nc(O)c1 113101779 KIWLRKGMLCFANR-UHFFFAOYSA-N 139.154 1.055 10 10 ADCE COC(=O)/C(=C/O)c1cccnc1C 138393156 BUZGLKALFZRWCP-RMKNXTFCSA-N 193.202 1.462 10 10 ADCE CCc1ccc(OC)c(O)c1O 212322896 ALAQBIYYBOOFLH-UHFFFAOYSA-N 168.192 1.669 10 10 ADCE CN1CCN/C1=C1/C=CC=CC1=S 216858223 JSALWFVHHXDKEN-CSKARUKUSA-N 192.287 1.229 10 10 ADCE C/C(=C\Cl)N=NC(N)=O 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CCc1cccc([C@H](N)C(=O)O)c1O 72191115 DDEODCVKQYEBQY-QMMMGPOBSA-N 195.218 1.039 10 10 ADCE CC[C@@H](C(N)=O)c1ccc(O)c(O)c1 78211928 URECFCAJKQTUNI-SSDOTTSWSA-N 195.218 1.077 10 10 ADCE CCN(C)Cc1ccccc1O 113750544 DAKKYWAPBVMALG-UHFFFAOYSA-N 165.236 1.844 10 10 ADCE Nc1ccc(CCN2CCCO2)cc1 164181909 YEGYYGPCPRRNRP-UHFFFAOYSA-N 192.262 1.449 10 10 ADCE CNC/C=C\c1ccc(N(C)C)cc1 211160421 HVYWWZJDOXODDZ-PLNGDYQASA-N 190.290 1.985 10 10 ADCE CNCC[C@H](C)N=[N+]=[N-] 216863849 UPYBLNIPOQPTCX-YFKPBYRVSA-N 128.179 1.295 10 10 ADCE CO[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](C)O1 238327402 LIHQSZPEQONIFD-QYNIQEEDSA-N 171.200 1.837 10 10 ADCE Nc1ccc(O[C@@H]2CC[C@@H]3O[C@@H]32)cc1 238646683 XCCZMGSAOBRDKQ-OUAUKWLOSA-N 191.230 1.577 10 10 ADCE CONCc1cc2c(cc1O)COC2 258019060 HZFHUPYRZXVBED-UHFFFAOYSA-N 195.218 1.073 10 10 ADCE CC(C)[S@@](=O)NCCCN=[N+]=[N-] 385826085 NVEAZZYYZFHBMP-GFCCVEGCSA-N 190.272 1.349 10 10 ADCE NCCCCc1ccc(O)c(O)c1O 1535829294 CVRXLRDFNGGVOC-UHFFFAOYSA-N 197.234 1.085 10 10 ADCE Cc1c(N)cc(CN)cc1CN=[N+]=[N-] 1887554409 AMNWVKNEBPVKET-UHFFFAOYSA-N 191.238 1.846 10 10 ADCE [N-]=[N+]=NC1CN([C@@H]2CCSC2)C1 1912191555 SPWHKXUPKIHSEX-SSDOTTSWSA-N 184.268 1.486 10 10 ADCE [N-]=[N+]=N[C@H]1CC2(CC[C@@H]1O)CC2 1953690251 NQZHHBUNDJRKEV-BQBZGAKWSA-N 167.212 1.990 10 10 ADCE Cc1c[nH]c(CN=[N+]=[N-])c(C)c1=N 1954080692 CGBYPNPTZNJRDM-UHFFFAOYSA-N 177.211 1.921 10 10 ADCE Cc1cccc(N)c1N[C@@H]1C[C@H]1CO 1955092241 VEUGIOQXOJYSJJ-WCBMZHEXSA-N 192.262 1.370 10 10 ADCE CN(CCCN=[N+]=[N-])C1CCNCC1 1957247999 ZLTDQYNBKNHGIO-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE CN(C)C(=O)C(C)(C)CN=[N+]=[N-] 2296600202 APUCCZKLYOBTRM-UHFFFAOYSA-N 170.216 1.411 10 10 ADCE CN(C)Cc1c(O)cc(F)cc1F 2509682 LOIZVCTWWGCRAS-UHFFFAOYSA-N 187.189 1.732 10 10 ADCE C[C@H](CC(=O)N1CCOC1=O)N=[N+]=[N-] 38251768 PEEWFAUEJJWTRQ-RXMQYKEDSA-N 198.182 1.054 10 10 ADCE CC(C)NCCOc1ccc(N)cc1 41206856 VADLRQMEIAJIFT-UHFFFAOYSA-N 194.278 1.646 10 10 ADCE CC(C)[C@@H]1CCC(=O)C1=O 100828320 QGJSBGJNGUBEKG-LURJTMIESA-N 140.182 1.191 10 10 ADCE endogenous,in-man CC(C)[C@@H](C)NC(=O)CN=[N+]=[N-] 104701949 FHYKEPPQKBNVHL-ZCFIWIBFSA-N 170.216 1.457 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@H](O)c1ccccc1 207812669 LIVAZQCOAVMLPE-DTWKUNHWSA-N 193.206 1.391 10 10 ADCE CC(C)(C)[C@H](CO)N=[N+]=[N-] 208184207 NSGIVWQAAGXPKO-YFKPBYRVSA-N 143.190 1.704 10 10 ADCE CCNCC/C=C\c1nccn1CC 211641522 QGQBDTKRXVTBFV-ALCCZGGFSA-N 193.294 1.916 10 10 ADCE CCO[C@@H](C)N=[N+]=[N-] 238305923 GSCKMSSKJZQOLR-BYPYZUCNSA-N 115.136 1.679 10 10 ADCE N[C@H](c1cc(O)cs1)C1CC1 238573394 ZTNCZBQIITZAMO-QMMMGPOBSA-N 169.249 1.864 10 10 ADCE CO[C@@H]1C[C@@H](OC)[C@H](N=[N+]=[N-])CO1 306750388 IWSQMDHSWKEOKV-QYNIQEEDSA-N 187.199 1.073 10 10 ADCE CC(C)[C@H]1[C@@H]2CC[C@H]1C(=O)C2=O 307571953 DPQIDUMMQUEVJX-RNLVFQAGSA-N 166.220 1.437 10 10 ADCE COC1(C)CN(CCN=[N+]=[N-])C1 382591357 ANFOGNFGPYUSNT-UHFFFAOYSA-N 170.216 1.017 10 10 ADCE CC(C)(C)[C@H]1CN[C@H](CN=[N+]=[N-])O1 885458605 XKAOCTLRBMDHNA-RQJHMYQMSA-N 184.243 1.657 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccon1 1535830911 VEHDJAMLDUSLOL-RXMQYKEDSA-N 154.129 1.018 10 10 ADCE [N-]=[N+]=NC1C[C@@H]2CCC[C@H](C1)N2 1536220122 NOOUZWQNFVDCFF-DHBOJHSNSA-N 166.228 1.970 10 10 ADCE [N-]=[N+]=NCCCCOCCCCO 1887514325 ZMGXYCUXGPFKLW-UHFFFAOYSA-N 187.243 1.866 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@H]2C[C@H](F)C2)C1 1893630444 RMVWAVPPLLYLDS-IZLXSQMJSA-N 198.201 1.256 10 10 ADCE COc1cccc2c1NC(=O)C2=CO 1911600185 CPOQQFZBWWDGEE-UHFFFAOYSA-N 191.186 1.546 10 10 ADCE C[C@H]1CCO[C@H]1CN1CC(N=[N+]=[N-])C1 1912149568 IEZNWFXCOVQJPN-CBAPKCEASA-N 196.254 1.406 10 10 ADCE C[C@H]1c2cc(O)c(O)cc2CCN1C 1715917 RKMGOUZXGHZLBJ-ZETCQYMHSA-N 193.246 1.647 10 10 ADCE endogenous,in-man CN(C)c1cc2nonc2cc1Cl 5342389 IVHYEUYOYATRHC-UHFFFAOYSA-N 197.625 1.942 10 10 ADCE CCc1noc(CN=[N+]=[N-])n1 42390474 VYOWWSZDPFWWBO-UHFFFAOYSA-N 153.145 1.442 10 10 ADCE CN(C)c1ccc([C@H]2NCCO2)cc1 58492013 WCOYQVTWQGYNBO-NSHDSACASA-N 192.262 1.371 10 10 ADCE C[C@H](N)c1cc(C=O)ccc1O 83591173 DNEAQYMAYOITLR-LURJTMIESA-N 165.192 1.224 10 10 ADCE C/C=C/C=C\C(=O)NCCN=[N+]=[N-] 88383570 LTAWUFZEYPSJBK-IAROGAJJSA-N 180.211 1.545 10 10 ADCE CC(=O)C(=[N+]=N)C(=O)c1ccccc1 96288847 HKPBEQQXSPOHIW-UHFFFAOYSA-N 189.194 1.138 10 10 ADCE CCC(CC)(N=[N+]=[N-])C(=O)O 238214920 RPHJXEMQYHLDBE-UHFFFAOYSA-N 157.173 1.940 10 10 ADCE CCOc1ccc(O)c2c1OC[C@@H]2N 238291080 ZYSOWFRYONXVAP-LURJTMIESA-N 195.218 1.183 10 10 ADCE COC(=N)c1cccc(O)c1O 238344088 MXFIMIXJKCYGDS-UHFFFAOYSA-N 167.164 1.070 10 10 ADCE Nc1oncc1-c1ccc(O)c(O)c1 258106298 PEQZIZMNYWAHRJ-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE NC(=S)/C=C\c1ccc(O)c(O)c1 361917750 DWYAVLYZHRVGOQ-RQOWECAXSA-N 195.243 1.397 10 10 ADCE CCn1c(C=CCCN)nc(C)c1C 1905543353 DSCAKGOPTJVEOL-UHFFFAOYSA-N 193.294 1.882 10 10 ADCE CCN(C)CCN(C)CCN=[N+]=[N-] 1912148637 VYBCSMQDMGFSQQ-UHFFFAOYSA-N 185.275 1.180 10 10 ADCE CCN(CCN=[N+]=[N-])C1COC1 1912176390 YPEWNBAUMVWSMG-UHFFFAOYSA-N 170.216 1.017 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2CCC[C@@H]21 1912179582 VXPIWAAAUDLWMH-RQJHMYQMSA-N 180.211 1.308 10 10 ADCE CC[C@@H](CN1CC(N=[N+]=[N-])C1)OC 1912207276 NLFVLGHLIZYTBL-QMMMGPOBSA-N 184.243 1.406 10 10 ADCE CCCOCCCN1CC(N=[N+]=[N-])C1 1912208046 QRAUIBZPSSDODH-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NC1CN(C2CC=CC2)C1 1953740735 LXCWMZBIGAGTAC-UHFFFAOYSA-N 164.212 1.700 10 10 ADCE COc1cccc(O)c1CN1CCC1 2241756861 OLYOTGXRIQFMAC-UHFFFAOYSA-N 193.246 1.607 10 10 ADCE CCOCCc1ccc(N)cc1 35677275 JJCAXAMFVUFDKS-UHFFFAOYSA-N 165.236 1.848 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H]2COC(=O)N21 137584859 UDASUGRAOQDSBV-WDSKDSINSA-N 182.183 1.628 10 10 ADCE C[C@@]1(O)CCCN(CCN=[N+]=[N-])C1 157508104 SWURJRXNLQKARP-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE Cc1cc2c(O)c(O)c(N)cc2[nH]1 212747360 VJNAUSVGKMAFGD-UHFFFAOYSA-N 178.191 1.470 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C1CCCC1 215852780 BSSDBWLOGSNRGR-SSDOTTSWSA-N 155.201 1.848 10 10 ADCE Nc1ccc(CCN2CCC2=O)cc1 229684130 MYPCAYVFGOFEIZ-UHFFFAOYSA-N 190.246 1.044 10 10 ADCE OCc1c(O)c(O)cc2c1CCC2 238672745 KUPLQAAVMHAMNA-UHFFFAOYSA-N 180.203 1.079 10 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ADCE CCN(CC)c1ccc(CN)c(O)c1 83342167 DYMVWDWEFBYNCA-UHFFFAOYSA-N 194.278 1.697 10 10 ADCE C/C(=C/CCN)c1nccn1C 86570800 UBGLNPVRKFWIMN-YWEYNIOJSA-N 165.240 1.172 10 10 ADCE CC[C@H](O)CCNc1ccc(N)cc1 123527241 FJVKYEMFQSHTKM-NSHDSACASA-N 194.278 1.842 10 10 ADCE CCC[C@H](N=[N+]=[N-])C(=O)OC 217346651 KNOPNOKOKNQXKT-YFKPBYRVSA-N 157.173 1.638 10 10 ADCE CO[C@@H]1O[C@@H]2CS[C@@H]2[C@@H]1N=[N+]=[N-] 238369610 QFJREJUIOPLZKN-DPYQTVNSSA-N 187.224 1.152 10 10 ADCE Cc1cc(C(C)(C)N)cc(O)c1O 258112948 ZESIGYSBSVDGSF-UHFFFAOYSA-N 181.235 1.600 10 10 ADCE CCN(Cc1cc(N)ccc1O)OC 308548559 OVMFUNKFVMWVMX-UHFFFAOYSA-N 196.250 1.358 10 10 ADCE CO[C@@H]1CNc2ccccc2N1 616690856 UEABBIAPSWGQMB-SECBINFHSA-N 164.208 1.497 10 10 ADCE [N-]=[N+]=NC[C@H]1NCCCCS1 642818020 KTFKXRXJHLYYNN-LURJTMIESA-N 172.257 1.739 10 10 ADCE C[C@@H](CCN)Oc1ccc(N)cc1 1883788585 UVDSFYVRZKDVEN-QMMMGPOBSA-N 180.251 1.385 10 10 ADCE CC1(C)C[C@@H](CN2CC(N=[N+]=[N-])C2)O1 1888013759 KIJVFKGFDRHIKM-QMMMGPOBSA-N 196.254 1.548 10 10 ADCE 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CC(C)[C@@H]1OC(=O)[C@H](N=[N+]=[N-])[C@@H]1C 238170609 UYTRLCRYCALWFW-XVMARJQXSA-N 183.211 1.883 10 10 ADCE Cc1cc(N)cc([C@H](C)N)c1O 238422558 MXDHFXCOCIJTAV-LURJTMIESA-N 166.224 1.303 10 10 ADCE N[C@H]1CCCc2ccc(O)c(O)c21 238590169 ZIVJFRSDLGHDFX-ZETCQYMHSA-N 179.219 1.434 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]2C1 380347734 VJEQPBBOYLDTNV-YUMQZZPRSA-N 166.228 1.639 10 10 ADCE CC(C)C1(O)CN(CCCN=[N+]=[N-])C1 384035731 IBNHNZLNPXKRGC-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE CN(C)C[C@H]1CCN(CCN=[N+]=[N-])C1 688492907 RFZQFGIIBAGFQS-SECBINFHSA-N 197.286 1.180 10 10 ADCE CC[C@H](C)[C@@H]1CO[C@@H](CN=[N+]=[N-])N1 1883970293 SLQXYTPAZHLCDQ-FXQIFTODSA-N 184.243 1.657 10 10 ADCE CCn1ccnc1C=C[C@@H]1CCNC1 1899438633 SKUYQGPYKKPGMC-SNVBAGLBSA-N 191.278 1.526 10 10 ADCE C[C@H](C(=O)N1CC(N=[N+]=[N-])C1)C1CC1 1912151583 JCWQCBKIBDCOFU-LURJTMIESA-N 194.238 1.554 10 10 ADCE CC[C@@H](O)CN1CCC(N=[N+]=[N-])CC1 1912155734 LWLDJQLZKPNRJS-SECBINFHSA-N 198.270 1.532 10 10 ADCE CC(C)OC[C@@H](N)c1ccccc1O 1928473790 FUBYANUXAHQCLN-SNVBAGLBSA-N 195.262 1.817 10 10 ADCE C[C@H]1CC(=O)N(CCN=[N+]=[N-])[C@H]1C 1954054385 SBRSNQWQXMQNHG-BQBZGAKWSA-N 182.227 1.554 10 10 ADCE O=C1c2cnccc2C(=O)c2[nH]ccc21 34571610 HIBBWRUWKZJPFN-UHFFFAOYSA-N 198.181 1.185 10 10 ADCE CN(O)Cc1ccccc1O 39074192 HYURKFLXLURNNP-UHFFFAOYSA-N 153.181 1.213 10 10 ADCE Oc1ccc([C@@H]2CCCCN2)c(O)c1 82892662 WQIFZXLRCMKYLW-JTQLQIEISA-N 193.246 1.912 10 10 ADCE C[C@H]1OCC[C@H]1Nc1ccc(N)cc1 149218795 YIWZJZOVBCZPOY-LDYMZIIASA-N 192.262 1.858 10 10 ADCE [N-]=[N+]=NC1=CCC1 150087588 DRRDXFFIIYWVSK-UHFFFAOYSA-N 95.105 1.974 10 10 ADCE C[C@H](O)c1ccc(Cl)c(O)c1O 258047716 KIQVNFYKCQZNCZ-BYPYZUCNSA-N 188.610 1.805 10 10 ADCE Cc1nccc2c(CN)c(O)ccc12 259666973 IEMDKMZMKBEYPL-UHFFFAOYSA-N 188.230 1.708 10 10 ADCE CCNC(=O)CSCCN=[N+]=[N-] 300779857 BHTBTLVHGQPBEH-UHFFFAOYSA-N 188.256 1.166 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2CO 306166555 BDMOGKSTPCYRPM-ULAWRXDQSA-N 167.212 1.704 10 10 ADCE CO[C@H]1CC[C@H]1Nc1ccc(N)cc1 724184453 ISKLTTAYIAFNMA-MNOVXSKESA-N 192.262 1.858 10 10 ADCE CC1=C=C=C=C(CCNN=N)N1 885269526 NMXHCBUYYJTTIT-UHFFFAOYSA-N 162.196 1.212 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cccc(F)c1O 1535819127 JWRMIZLQCOXBLZ-ZETCQYMHSA-N 197.169 1.875 10 10 ADCE Nc1ccccc1N[C@@H]1C[C@@H]1CO 1954310448 YHKVNJZSVFLOKK-GMSGAONNSA-N 178.235 1.062 10 10 ADCE C[C@H](O)[C@@H](O)c1ccc(N(C)C)cc1 1955943843 TZHQDRSLYGFHLW-GZMMTYOYSA-N 195.262 1.167 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1C[C@H](N)C2 1957249575 LORREXSCPWEOLJ-AYMMMOKOSA-N 195.270 1.251 10 10 ADCE COc1ccc(N2CCC2)c(CN)c1 2209735152 DSZKRRSZKJIFEB-UHFFFAOYSA-N 192.262 1.364 10 10 ADCE O=c1[nH]c2cc(Cl)ccc2oc1=O 26641558 HDZOJOPVDZEEMG-UHFFFAOYSA-N 197.577 1.135 10 10 ADCE Oc1c(F)ccc(Cl)c1O 39125753 QDLYKRRDQRMUKX-UHFFFAOYSA-N 162.547 1.890 10 10 ADCE in-vitro O=C1CCCc2c1ccc(O)c2O 39212990 KOTSTVOEHZEULD-UHFFFAOYSA-N 178.187 1.617 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccc[nH]1 42012515 OLCFQLGEMSTBJR-UHFFFAOYSA-N 179.183 1.055 10 10 ADCE [N-]=[N+]=CC(=O)c1ccc(F)cc1 80233060 LZQCKFADJHWBER-UHFFFAOYSA-N 164.139 1.309 10 10 ADCE C[C@@H]1C[C@]1(N)c1ccc(N(C)C)cc1 84351026 ODDIVRWHBHCIBK-BXKDBHETSA-N 190.290 1.946 10 10 ADCE NCc1sc2ccc(N)cc2c1O 108303909 DASCBZPMFZAOII-UHFFFAOYSA-N 194.259 1.648 10 10 ADCE Nc1ccc(NC2(CO)CCC2)cc1 129392714 KGFFJGKNPZTHJF-UHFFFAOYSA-N 192.262 1.596 10 10 ADCE CC(=O)O[C@@H]1CC=CO[C@H]1CN=[N+]=[N-] 137680234 LIFVRJRIBLNKGP-SFYZADRCSA-N 197.194 1.531 10 10 ADCE O=C1CC[C@H]2C[C@@H]2CCC1=O 197417752 ISLHCZZZIVYMJA-BQBZGAKWSA-N 152.193 1.335 10 10 ADCE CS[C@@H](CO)CN=[N+]=[N-] 238385388 ZQSMEZSSDJTDPG-SCSAIBSYSA-N 147.203 1.021 10 10 ADCE N[C@H](c1cc(O)nc(O)c1)C1CCC1 238585428 MSFGFXUEBVAETH-JTQLQIEISA-N 194.234 1.293 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@@H]1CO 700391993 MRSLLFRYJFJJEL-DTWKUNHWSA-N 198.270 1.247 10 10 ADCE Cc1ncncc1CCN=[N+]=[N-] 1535720332 UCOQWYNBRCMDNV-UHFFFAOYSA-N 163.184 1.638 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H]1CCCOC1 1535776397 QUXXWXDTFWQKHE-NKWVEPMBSA-N 171.200 1.084 10 10 ADCE Cn1ncc([N+](=O)[O-])c1CCN=[N+]=[N-] 1535819621 MTOBMHGDJSUGSU-UHFFFAOYSA-N 196.170 1.181 10 10 ADCE O=C(O)CN=NNc1cccc(F)c1 1860490906 BQMAROANNXGZOU-UHFFFAOYSA-N 197.169 1.689 10 10 ADCE COC[C@H]1C[C@@H]1CN=[N+]=[N-] 1880066554 JEKMUEZCTLCOHA-PHDIDXHHSA-N 141.174 1.579 10 10 ADCE Cc1cccc(O)c1CN[C@H]1C[C@@H]1F 1887535293 COIOOGPPJOXRRC-UWVGGRQHSA-N 195.237 1.901 10 10 ADCE C[C@@H](CCN)N(C)c1ccc(N)cc1 1888912219 BIDUGBGJFVYLCS-VIFPVBQESA-N 193.294 1.442 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@@]12CC[C@H]1C2 1935499114 DSNWNNAOUJLEAC-IONNQARKSA-N 194.238 1.555 10 10 ADCE CC(C)(CN)c1cc(O)c(O)c(O)c1 1951668104 URIHOFJOAGGDOR-UHFFFAOYSA-N 197.234 1.040 10 10 ADCE O=C1CC[C@@H](c2cccc(O)c2O)N1 1951871763 ZZJGSEUQZWRTOI-ZETCQYMHSA-N 193.202 1.049 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@H]1CC[C@@H]1N 1957248638 FDOXCKWJBHZMIY-IUCAKERBSA-N 197.286 1.498 10 10 ADCE CN(C)c1ccc(C=CCN)cc1F 2055876242 RTIBBXVYIANMJY-UHFFFAOYSA-N 194.253 1.864 10 10 ADCE COc1c(O)cc(C)c(O)c1O 13507348 FBRSHCVRTNPNES-UHFFFAOYSA-N 170.164 1.120 10 10 ADCE in-vitro Cc1ccc([C@@H](N)CCO)c(O)c1 44234193 MBCMJHMGCCCCKH-VIFPVBQESA-N 181.235 1.083 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])CCN1C 82484370 YUYVBYKTTOOBIR-VIFPVBQESA-N 197.286 1.323 10 10 ADCE COc1cc(F)cc([C@H](C)N)c1O 95714749 NRQMTMKPCHOOCQ-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE COC[C@H](N)c1c(O)cc(C)cc1O 104490475 GJPQCGTWRTYKGM-ZETCQYMHSA-N 197.234 1.052 10 10 ADCE COc1c(Cl)ccc(CN)c1O 212094239 WSOQQLCPJRWCBY-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE [N-]=[N+]=NCCCNCCCCN 216556834 NBHOCZDHHSNWCU-UHFFFAOYSA-N 171.248 1.015 10 10 ADCE NC1(c2c(O)cccc2O)CC1 221194887 HWIWTAUVCLCRKA-UHFFFAOYSA-N 165.192 1.046 10 10 ADCE CCCC[C@H](N)c1cc(O)nc(O)c1 238221087 YWQVWYCLIWENAO-QMMMGPOBSA-N 196.250 1.683 10 10 ADCE C[C@@H](N=[N+]=[N-])[C@H](CCO)N=[N+]=[N-] 238409897 SKGJZZTZAFOKBY-UHNVWZDZSA-N 170.176 1.747 10 10 ADCE C[C@@H]1C(=O)C(=O)[C@]2(C)CC=CC[C@H]12 306405163 WCDMRFWBCYQRHE-VAOFZXAKSA-N 178.231 1.747 10 10 ADCE CS(=O)(=O)CC1(CN=[N+]=[N-])CC1 694037595 GVJPRSVRQIZCCK-UHFFFAOYSA-N 189.240 1.122 10 10 ADCE c1csc(SC[C@@H]2CCN2)n1 722141605 BTRYXUOYSAHGIP-LURJTMIESA-N 186.305 1.597 10 10 ADCE Cn1ncnc1Sc1nccs1 1458363320 JCBYQKYQBGVBBZ-UHFFFAOYSA-N 198.276 1.423 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)[C@H]2CC[C@H]21 1888265589 KCSXDWZWFGYKJT-YIZRAAEISA-N 196.254 1.142 10 10 ADCE CNCC[C@@H](C)Nc1ccc(N)cc1 1888923159 PUHMUCLSMNWRMG-SECBINFHSA-N 193.294 1.679 10 10 ADCE NC[C@@H]1CC[C@H]1Nc1ccccc1N 1888933219 IROVQLPRPPBWMT-WCBMZHEXSA-N 191.278 1.418 10 10 ADCE CCON(CC)CCN=[N+]=[N-] 1912193658 POJNAVZCVABOKG-UHFFFAOYSA-N 158.205 1.570 10 10 ADCE Nc1ccc(CN[C@@H]2[C@H]3CC[C@H]32)cc1 1955451068 ASZKPOBZZANICO-GDNZZTSVSA-N 188.274 1.767 10 10 ADCE CCN=c1[nH]ccc(CN=[N+]=[N-])c1F 2241879842 YREJMAMMVSKJON-UHFFFAOYSA-N 195.201 1.885 10 10 ADCE [N-]=[N+]=NCCCN1CCC(CO)CC1 42415702 NRQQTWMOHJYPGK-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE Cc1cc(C)c([C@H](N)C(=O)O)c(O)c1 72191112 ZCTOJJSLQNBRPE-VIFPVBQESA-N 195.218 1.093 10 10 ADCE Oc1cc(O)c(-c2ncc[nH]2)cc1O 104397032 RWSLDOWNQXSNKD-UHFFFAOYSA-N 192.174 1.194 10 10 ADCE NCc1c(O)ccc2c1CCC2 108285150 PNBAHIAUHYHKOA-UHFFFAOYSA-N 163.220 1.340 10 10 ADCE CO[C@@H]1CC[C@H](N=[N+]=[N-])[C@H](C)O1 146231372 LIHQSZPEQONIFD-ACZMJKKPSA-N 171.200 1.837 10 10 ADCE CN[C@H]1CCc2cccc(O)c21 147329029 IQKACIYAXCLCEN-QMMMGPOBSA-N 163.220 1.599 10 10 ADCE C[C@H](O)c1cc(O)c(O)c(F)c1 222574277 HOVHAESDDNEWEX-BYPYZUCNSA-N 172.155 1.290 10 10 ADCE CC1(C)O[C@H]2C=C(CN=[N+]=[N-])O[C@@H]2O1 238197941 CVRWSZVZQIXGNY-NKWVEPMBSA-N 197.194 1.688 10 10 ADCE CCc1nn[nH]c1[C@H](C)N=[N+]=[N-] 238289506 ZZKREQICAQXESX-BYPYZUCNSA-N 166.188 1.738 10 10 ADCE CN(C)Cc1c(O)cccc1F 238329631 FDWBATMCJYYADO-UHFFFAOYSA-N 169.199 1.593 10 10 ADCE COC[C@H](N)c1cc(S)ccc1O 238360710 MWQOAHMROBXFHZ-QMMMGPOBSA-N 199.275 1.327 10 10 ADCE C[C@@H](c1c[nH]cn1)[C@H](N=[N+]=[N-])C(=O)O 238421605 DNNXBGQXWYYNDT-NJGYIYPDSA-N 195.182 1.277 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC(=O)[C@@H]2O[C@H]12 238589217 BGOOBBKPYPUXDI-QXRNQMCJSA-N 167.168 1.186 10 10 ADCE Cc1ccc(CCCN)c(O)c1O 258048465 RBNNZPGACQUCQO-UHFFFAOYSA-N 181.235 1.298 10 10 ADCE C[C@@H]1CC[C@@H](O)CN1CCN=[N+]=[N-] 306730662 FKGDYRZSLOUIIW-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]2C[C@H]1C[C@H]2O 306785069 IXPWTCFEDBKIPY-BDVNFPICSA-N 153.185 1.456 10 10 ADCE CC[C@H]1C[C@H]1C(=O)NCCCN=[N+]=[N-] 387620324 QJJDQNBIUANJEN-JGVFFNPUSA-N 196.254 1.849 10 10 ADCE Cc1ccc([C@]2(N)CC2(F)F)c(O)c1 1536130836 SJGYPSMBJXMSBF-SECBINFHSA-N 199.200 1.894 10 10 ADCE CO[C@H]1C[C@@H]1CN(C)CCN=[N+]=[N-] 1882816306 YVVOYMHLUPLIQF-SFYZADRCSA-N 184.243 1.263 10 10 ADCE COCC[C@](C)(N)c1ccccc1O 1928476292 HTRMEDLRAHWYTQ-NSHDSACASA-N 195.262 1.603 10 10 ADCE CCCC1([C@@H](O)C(=O)C(C)=O)CCC1 1929226393 CCEUZYFXOUSSDG-JTQLQIEISA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H]2C1=O 1935422156 HLYVHPIYJDZCPM-NKWVEPMBSA-N 180.211 1.165 10 10 ADCE C[C@H]1CNCCN(CCCN=[N+]=[N-])C1 1957250262 OZXLWDRZVOWZDY-VIFPVBQESA-N 197.286 1.228 10 10 ADCE CN(C)C[C@@H]1CCCN1CCN=[N+]=[N-] 61652195 QLYZCQFNAVDGBI-VIFPVBQESA-N 197.286 1.323 10 10 ADCE COc1ccc(C)cc1C(=O)C=[N+]=[N-] 84451859 MGJHOJHRICQNCL-UHFFFAOYSA-N 190.202 1.487 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@@H]1C2 104897624 WIJMSJILHDJRPG-HTQZYQBOSA-N 166.228 1.781 10 10 ADCE NC(=O)CCCc1ccc(N)cc1 114066103 ZIYKAMLQVZCJRC-UHFFFAOYSA-N 178.235 1.077 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCCNC1=O 136365155 XAJUMZWRGXACJP-ZCFIWIBFSA-N 168.200 1.356 10 10 ADCE Oc1cc2nc3n(c2cc1O)CCC3 141638539 OAJUENAMIGITLI-UHFFFAOYSA-N 190.202 1.394 10 10 ADCE COC(=O)/C(=C\O)C(C)C 206052535 YDXITEVTZYSNDL-XQRVVYSFSA-N 144.170 1.257 10 10 ADCE CC[C@H](N=[N+]=[N-])[C@H](C)C(=O)O 206602874 PJHWUVDKSTXEFO-WHFBIAKZSA-N 157.173 1.796 10 10 ADCE CC(=O)CC[C@H](CN=[N+]=[N-])OC(C)=O 213471938 QWGXKTFCUHEBGK-MRVPVSSYSA-N 199.210 1.598 10 10 ADCE C[C@H](F)c1ccc(O)c([C@H](N)CO)c1 214165199 CWNIJBCCPKWNLG-IMTBSYHQSA-N 199.225 1.415 10 10 ADCE [N-]=[N+]=NC[C@@H](CC1CC1)C(N)=O 238612511 LBLRRQNSQULNJD-ZCFIWIBFSA-N 168.200 1.198 10 10 ADCE N[C@@H](c1sccc1O)C1CC1 238669964 AGWJETIYVJBUOK-SSDOTTSWSA-N 169.249 1.864 10 10 ADCE Cc1cc([C@@H](C)CO)c(O)c(O)c1C 258121219 QRAFKVSOBMGPBX-ZETCQYMHSA-N 196.246 1.810 10 10 ADCE OCc1cc(O)c2c(O)csc2c1 307307237 LQQMHYGTRJYXJR-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE [N-]=[N+]=NCCN(CCO)CC1CC1 691073512 FCRFLNNLNALFOS-UHFFFAOYSA-N 184.243 1.001 10 10 ADCE CC(C)[C@]1(C)CO[C@@H](CN=[N+]=[N-])N1 885456423 RSKNLHTYJRXWLP-YUMQZZPRSA-N 184.243 1.657 10 10 ADCE COC(=O)c1ccc(CN=[N+]=[N-])n1C 1535655463 GDDFIBGSHMCFRY-UHFFFAOYSA-N 194.194 1.622 10 10 ADCE CC[C@H](O)CN1CCC(N=[N+]=[N-])CC1 1912167542 LWLDJQLZKPNRJS-VIFPVBQESA-N 198.270 1.532 10 10 ADCE CO[C@H]1CCN(CCN=[N+]=[N-])C[C@H]1C 1912175727 PIMHWBLSRDEAJB-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2CC23CC3)C1 1912176925 AGKRZUBZOIHDDR-ZETCQYMHSA-N 192.222 1.308 10 10 ADCE CCOCCN1CC[C@H](N=[N+]=[N-])C1 1912192503 GWCKZNCOTPIARE-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE O=C(O)C(F)=Cc1ccc(O)c(O)c1 1927714413 WGQROTWQNYNZPV-UHFFFAOYSA-N 198.149 1.493 10 10 ADCE COc1nc(C)cc(CN=[N+]=[N-])n1 1954754074 ZIOFZLULTIGVLG-UHFFFAOYSA-N 179.183 1.604 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@H]1N 1957247402 PVLJYTKVJVCBBC-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE CN(C)c1ccc(OCCCN)cc1 19726706 AABFVMOVAXKNIO-UHFFFAOYSA-N 194.278 1.480 10 10 ADCE N[C@H](CO)c1cccc(Cl)c1O 72197606 PDKJEZHXIVATRZ-SSDOTTSWSA-N 187.626 1.038 10 10 ADCE Nc1ccc(OCc2ncco2)cc1 82530312 LMSWJHPCKMGVSW-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE CC(C)Oc1cccc(O)c1CN 95720581 XWSCQGSDBGNGHY-UHFFFAOYSA-N 181.235 1.638 10 10 ADCE [N-]=[N+]=NCc1csc(N)n1 95932583 JMWPVNJNIAEMID-UHFFFAOYSA-N 155.186 1.536 10 10 ADCE COc1cc(O)c([C@H](C)N)cc1F 212049011 HXVXQEDHUGOFCQ-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE Cc1nc2ccc([C@@H](C)N)c(O)c2o1 214684931 OFYUMSPETAYIEY-RXMQYKEDSA-N 192.218 1.862 10 10 ADCE C[C@@H](O)[C@@H](C)SCCN=[N+]=[N-] 235280083 SOFCVLVTESFMDS-PHDIDXHHSA-N 175.257 1.799 10 10 ADCE Cc1cccc2c1NCC(=O)C2=O 238549019 DTPHASWVXBLGGF-UHFFFAOYSA-N 175.187 1.172 10 10 ADCE Nc1cc(O)nc(O)c1C(F)F 238702920 HKKUWLDGCWRIKL-UHFFFAOYSA-N 176.122 1.013 10 10 ADCE CCCC[C@@H](O)C/N=N/C 238794228 FAQVANGQCHLALH-BDGYDECCSA-N 144.218 1.620 10 10 ADCE CC(C)(N)c1c(O)ccc(F)c1F 258133652 RQMMJGCBXNUSBJ-UHFFFAOYSA-N 187.189 1.864 10 10 ADCE CCC(=O)C(=O)C1CCC1 306495747 VXPSPLZGTGUKKQ-UHFFFAOYSA-N 140.182 1.335 10 10 ADCE F[C@@H]1CNc2ccccc2N1 616691285 YYGLDRVMROXFJP-QMMMGPOBSA-N 152.172 1.820 10 10 ADCE CCN(CCN=[N+]=[N-])CCN(C)C 688937753 HVRPZLIRIFNAKC-UHFFFAOYSA-N 185.275 1.180 10 10 ADCE Cn1c(Cl)cnc1/C=C1\CCNC1 700309778 FHBLPJCTZHFKPT-QPJJXVBHSA-N 197.669 1.450 10 10 ADCE N=[N+]=CC(=O)c1ccc(F)c(Cl)c1 725422705 OYHGTDKQWQUVMA-UHFFFAOYSA-N 199.592 1.972 10 10 ADCE NCC[C@H](F)c1ccc(O)c(O)c1 1535860538 KSFLLMYLHCGGCE-ZETCQYMHSA-N 185.198 1.457 10 10 ADCE Nc1ccc(CCOCCF)cc1 1881708354 XFOAIJZTZWZYJX-UHFFFAOYSA-N 183.226 1.797 10 10 ADCE CC[C@@H](N)CNc1ccc(N)cc1 1883134686 VQYDNIPZRYAERL-MRVPVSSYSA-N 179.267 1.418 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@H]2COC[C@H]21 1886759290 QGVMMWPRLPISTQ-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE CCOC(=O)N(CC)CCN=[N+]=[N-] 1887711797 AYEFDWHONXPXNH-UHFFFAOYSA-N 186.215 1.775 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)c1cccnc1 1912163751 NHUKZLNTVWXJNU-CYBMUJFWSA-N 196.235 1.500 10 10 ADCE [N-]=[N+]=NC1CN(CCOC2CCC2)C1 1912178688 OUHLCVYFZMMODZ-UHFFFAOYSA-N 196.254 1.550 10 10 ADCE CC[C@H]1CCCC[C@]1(O)C(=O)C(C)=O 1929142598 WNIVUFNBIGMIIT-GXSJLCMTSA-N 198.262 1.476 10 10 ADCE C[C@H](O)C[C@@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1934011866 BKNVDWXHQLMCLN-HRDYMLBCSA-N 198.270 1.530 10 10 ADCE Cc1ccc(O)c([C@]2(N)C[C@H]2C)c1 1951735198 ULKBEQOVOUAWSV-KCJUWKMLSA-N 177.247 1.894 10 10 ADCE C[C@@H](O)CN(CCN=[N+]=[N-])C1CCC1 2242075963 PKZJGZZLKRSWPR-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE C[C@H](CN)c1ccc(O)c(O)c1F 21215 DNUIDYLXIZLFAE-RXMQYKEDSA-N 185.198 1.299 10 10 ADCE [N-]=[N+]=NCCn1ccnc1 42390443 WBCZSEMEJFTIIQ-UHFFFAOYSA-N 137.146 1.193 10 10 ADCE 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88023005 KXRZDZRCOULLOK-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE Oc1ccc(Nc2ncc[nH]2)cc1O 199046059 ORSUPGCHXVQODN-UHFFFAOYSA-N 191.190 1.565 10 10 ADCE Cn1cccc1/C=C\CCN 214907170 KLBYAINKRWXYAK-DJWKRKHSSA-N 150.225 1.387 10 10 ADCE CC(C)=C[C@@H](CO)N=[N+]=[N-] 220138096 HYAXDSJDOLHBNY-LURJTMIESA-N 141.174 1.624 10 10 ADCE CCC(=S)c1cc(C=O)c[nH]1 238249769 LBXWBRVZFLYLPJ-UHFFFAOYSA-N 167.233 1.955 10 10 ADCE COC(=O)[C@@H](CN=[N+]=[N-])N=[N+]=[N-] 238351754 OVFWPEJCLXYAAF-GSVOUGTGSA-N 170.132 1.149 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H](N=[N+]=[N-])O1 238596629 MHTRYPCUXGBIFE-QWWZWVQMSA-N 152.117 1.846 10 10 ADCE CNC[C@H](F)c1ccc(O)c(O)c1 257870577 YECHXMVQLHUSSI-ZETCQYMHSA-N 185.198 1.328 10 10 ADCE CN(C)c1ccc(/C=C/CON)cc1 258596810 NUZQNPJFDWDBLE-ONEGZZNKSA-N 192.262 1.656 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H](C)C1O 688113716 CXONDAIPXDHKII-HTQZYQBOSA-N 198.270 1.245 10 10 ADCE Cc1nccnc1[C@@H](CO)N=[N+]=[N-] 1535691713 XECMRSQWUJGRDQ-ZCFIWIBFSA-N 179.183 1.129 10 10 ADCE [N-]=[N+]=N[C@@H](CO)C(F)(F)F 1536148427 UBLYVNCSZANROJ-REOHCLBHSA-N 155.079 1.220 10 10 ADCE CCOC(OCC)[C@@H](CO)N=[N+]=[N-] 1536204177 UVVVKLBHXUCPFS-ZCFIWIBFSA-N 189.215 1.057 10 10 ADCE Nc1ccc(C[S@@](=O)C2CC2)cc1 1882035170 HWYQVKZODKDNMT-CYBMUJFWSA-N 195.287 1.680 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CCOC1 1885287053 NZXAAHVLKTUSCU-IUCAKERBSA-N 196.254 1.550 10 10 ADCE C[C@@H](N)CC=Cc1ncc(Cl)n1C 1886481235 STIGBPVQQYIKHQ-SSDOTTSWSA-N 199.685 1.824 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)[C@@H]2CC[C@H]21 1888265587 KCSXDWZWFGYKJT-HLTSFMKQSA-N 196.254 1.142 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@H]2CCC[C@@H]21 1912182583 DKTAIYCEUZSFHJ-YUMQZZPRSA-N 194.238 1.698 10 10 ADCE CCCOC(=O)N1CC(N=[N+]=[N-])C1 1912197512 VCZPMTVSSXGGQY-UHFFFAOYSA-N 184.199 1.528 10 10 ADCE Nc1ccc(CN[C@@H]2CCOC2)cc1 1929711442 UVPACPXDWMIEIS-LLVKDONJSA-N 192.262 1.147 10 10 ADCE CC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 1934382073 XLQFYNUQPOCLEG-MRVPVSSYSA-N 182.227 1.698 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)C2[C@@H]3CC[C@@H]23)C1 1955489004 QLOIRGPCMYPZFT-RNFRBKRXSA-N 192.222 1.164 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@@]1(C)CN 1957244687 RQNAQWMBFFREPZ-DTWKUNHWSA-N 197.286 1.213 10 10 ADCE Nc1cc(O)c(O)cc1OC(F)F 2055194028 IVZVESPEDHMOEL-UHFFFAOYSA-N 191.133 1.281 10 10 ADCE Cc1cc(/N=N/N(C)C)no1 38522721 ITMHRTLMHQAZNE-VQHVLOKHSA-N 154.173 1.543 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H]1OC1(C)C 39132238 MEPIGQLOYUCEOC-WHFBIAKZSA-N 141.174 1.863 10 10 ADCE CC[C@H]1CN(CCCN=[N+]=[N-])CCO1 42415944 NTRHLZQNKLFZTB-VIFPVBQESA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=N[C@@H](CCO)c1ccncc1 75450752 FKCSKTKBAHRHFP-QMMMGPOBSA-N 178.195 1.815 10 10 ADCE Cc1nc2cc(CN)c(O)cc2s1 82637261 IFTIRYJPOQNMKO-UHFFFAOYSA-N 194.259 1.769 10 10 ADCE C[C@H]1C[C@@H]1CN(C)CCN=[N+]=[N-] 82649478 NRFOCYRCDFZAGL-JGVFFNPUSA-N 168.244 1.885 10 10 ADCE CNC[C@H](O)c1cc2c(ccn2C)o1 82894275 FNKNMXATOUHKJQ-QMMMGPOBSA-N 194.234 1.024 10 10 ADCE Cc1ccc(O)c([C@@H](N)[C@H](C)O)c1 95672692 QPEHFQLNYKTGSB-XVKPBYJWSA-N 181.235 1.081 10 10 ADCE C[C@@H]1CC(=O)C(=O)[C@H](C)C1 129193158 VTXSOIUJMOWVQJ-NTSWFWBYSA-N 140.182 1.191 10 10 ADCE CCN(C)C(=O)c1ccc(O)c(O)c1 226954288 PFNDMYCSCKJSFE-UHFFFAOYSA-N 195.218 1.190 10 10 ADCE CC(=O)O[C@@H]1[C@@H](O)CCC[C@@H]1N=[N+]=[N-] 238074571 BPLLFKUKJPRMCU-FXQIFTODSA-N 199.210 1.142 10 10 ADCE CC(C)CNC[C@@H](O)[C@@H](C)N=[N+]=[N-] 238133210 NFAWCFZDFPIVOM-HTQZYQBOSA-N 186.259 1.292 10 10 ADCE COC(=O)[C@H]1CC[C@H](CN=[N+]=[N-])O1 238329687 WDJWHSLMTIZCNP-PHDIDXHHSA-N 185.183 1.017 10 10 ADCE COC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1N=[N+]=[N-] 238374950 WYCNTQPKPUJXMJ-CWKFCGSDSA-N 193.206 1.660 10 10 ADCE C[C@@H](N=[N+]=[N-])[C@@H](CCO)N=[N+]=[N-] 238409281 SKGJZZTZAFOKBY-RFZPGFLSSA-N 170.176 1.747 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@@H]1N=[N+]=[N-] 238598973 GTJFLJZZGQKSJU-IMJSIDKUSA-N 136.118 1.914 10 10 ADCE NCc1cc2ncccc2cc1O 238620173 YXEZQMYYEMGHGT-UHFFFAOYSA-N 174.203 1.399 10 10 ADCE Oc1cc([C@@H]2CCCN2)cc(F)c1O 258021708 IHPITRHSPJYSOM-QMMMGPOBSA-N 197.209 1.661 10 10 ADCE Cc1c(/C=C/CN)cc(O)c(O)c1C 258136088 RWBZUPXSNJAKRD-ONEGZZNKSA-N 193.246 1.687 10 10 ADCE COc1ccc(N(C)C)c(CNO)c1 258142946 SRCAXULUAVCXMK-UHFFFAOYSA-N 196.250 1.240 10 10 ADCE OCCSc1ncc(Cl)s1 306479094 AZRUMCRAPOMBEC-UHFFFAOYSA-N 195.696 1.881 10 10 ADCE OCc1cc2sccc2c(O)c1O 306917526 ZMVJYLWSLGXEOF-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H]1CCN(C)C1 693424569 QIAJOMKEIMSXJS-SECBINFHSA-N 197.286 1.323 10 10 ADCE CCc1nc(SCCN=[N+]=[N-])n[nH]1 714116740 YGAIDFQLJIJAMY-UHFFFAOYSA-N 198.255 1.770 10 10 ADCE CC1(C)CN[C@@H](CN=[N+]=[N-])O1 885255835 RGPKAKHIZFQPPA-RXMQYKEDSA-N 156.189 1.021 10 10 ADCE [N-]=[N+]=NCc1cccc(O)c1O 1535734975 CDSPRNMXHYLCJF-UHFFFAOYSA-N 165.152 1.908 10 10 ADCE CC[C@@H](CN)Oc1ccc(N)cc1 1883787978 KBAMEBVHSPZNCH-VIFPVBQESA-N 180.251 1.385 10 10 ADCE CC[C@H](CN)Nc1c(C)cccc1N 1888906014 XKCYQJDCLZHGQW-SECBINFHSA-N 193.294 1.726 10 10 ADCE CO[C@@H](CN1CC(N=[N+]=[N-])C1)C1CC1 1912208384 RRYSVXYVPKXDDM-VIFPVBQESA-N 196.254 1.406 10 10 ADCE COc1cc(O)ccc1C(=O)C(C)=O 1951605803 QPENBXMRJRKYAN-UHFFFAOYSA-N 194.186 1.173 10 10 ADCE Cc1ccn(CCN=[N+]=[N-])n1 70685962 OLBDVSLTNZRLCU-UHFFFAOYSA-N 151.173 1.502 10 10 ADCE Cc1ccc(O)c(CNC2COC2)c1 87194957 YYTGFSDKFHACDQ-UHFFFAOYSA-N 193.246 1.189 10 10 ADCE C[C@@H](N)c1cc(C(=O)O)cc(F)c1O 95718454 YCMNFENGCJMUIX-SCSAIBSYSA-N 199.181 1.249 10 10 ADCE CN1CCC=C1c1ccc(O)nc1O 100408212 HYVACOFBTBHJLM-UHFFFAOYSA-N 192.218 1.169 10 10 ADCE in-vitro [N-]=[N+]=N[C@@H]1COC[C@@H]1OCC1CC1 137690474 YGTJWDROHKRLHF-SFYZADRCSA-N 183.211 1.491 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1ccccc1N 141372426 XJZGMOVPCSGIIZ-UHFFFAOYSA-N 198.207 1.268 10 10 ADCE C[C@H]1CCC[C@@H]1C(=O)NCCN=[N+]=[N-] 226696689 OUDMMOZWNIUKDF-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=N[C@@H](Cc1ccco1)C(=O)O 238666615 LYPMVKIIXDDBCS-LURJTMIESA-N 181.151 1.586 10 10 ADCE [N-]=[N+]=NC[C@H]1CNCC1(F)F 306257639 QHGKOVYGHWOLHQ-SCSAIBSYSA-N 162.143 1.151 10 10 ADCE [N-]=[N+]=Cc1cccc2cccnc12 307133751 YIYQYHXMBRAANE-UHFFFAOYSA-N 169.187 1.884 10 10 ADCE Nc1cccc2c(O)c(O)sc12 307206760 ITXFENQXGLHKPL-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CCN1C(=O)/C(=C/O)SC1=S 307910527 HVHFTHHDDNPUPH-ARJAWSKDSA-N 189.261 1.266 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cccc(O)c1O 1535735821 XEGJJSWTKLDAQM-ZCFIWIBFSA-N 195.178 1.442 10 10 ADCE CCO[C@H](C)[C@H](CO)N=[N+]=[N-] 1535801509 UGJJIGMFOIFYCN-RITPCOANSA-N 159.189 1.083 10 10 ADCE C[C@@H](N)/C=C/c1ccc(O)c(O)c1O 1535830446 OIMXVOWITKDBIS-YRFDSLTASA-N 195.218 1.164 10 10 ADCE [N-]=[N+]=N[C@H](CO)CC1CC1 1535879695 KQGXONHURZBKLA-LURJTMIESA-N 141.174 1.458 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2COCC[C@@H]21 1877200760 VUTJJUZBCSDXSC-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCO1 1888422235 CFBAAZUYGUNQAY-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE CC(C)CC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912162689 ZCAWYVNZLYOHFM-QMMMGPOBSA-N 196.254 1.944 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2CCCCO2)C1 1912163825 OKFDAHYEQDNJAC-SECBINFHSA-N 196.254 1.550 10 10 ADCE Oc1ccc(CC=C2CNC2)cc1O 1951602645 RNYCLPMAPLQQMN-UHFFFAOYSA-N 191.230 1.170 10 10 ADCE OCc1ccc(N2CC(CF)C2)cc1 1955347862 XINDWGLJHIYOSS-UHFFFAOYSA-N 195.237 1.585 10 10 ADCE [N-]=[N+]=NCCCN(C1CC1)C1COC1 1955670394 MUWRYKYLGYAAQX-UHFFFAOYSA-N 196.254 1.550 10 10 ADCE CCNCCN(CC)CCCN=[N+]=[N-] 1957250963 VEJXEONARDAPGE-UHFFFAOYSA-N 199.302 1.618 10 10 ADCE Nc1ccc(N[C@H]2[C@H]3COC[C@H]32)cc1 1957276284 ILLUZOBHFTXDMZ-JGPRNRPPSA-N 190.246 1.326 10 10 ADCE C[C@@H]1C[C@@H](O)[C@@H](C)N(CCN=[N+]=[N-])C1 2209756200 BOQMLDLJCUSIHH-IWSPIJDZSA-N 198.270 1.388 10 10 ADCE CC[C@@H]1CO[C@H](C)CN1CCN=[N+]=[N-] 42451725 PUZGDFNXQMUOJS-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE Cc1cc(C)c(O)c(C2(N)CC2)c1 83272675 XTGSMQQXSHVTHH-UHFFFAOYSA-N 177.247 1.957 10 10 ADCE CC(C)[C@@H](CO)Nc1ccccc1N 83823463 VUJIPPIHSQGZND-LLVKDONJSA-N 194.278 1.698 10 10 ADCE CCN/C=C/C(C)=S 104629816 SWTMIOGNVPECRM-SNAWJCMRSA-N 129.228 1.499 10 10 ADCE CN(C)c1ccc2c(c1)[C@@H](N)CCO2 104676261 QBWOOFLEESICOA-JTQLQIEISA-N 192.262 1.535 10 10 ADCE [N-]=[N+]=N[C@H](C(N)=O)c1ccccc1 135954840 WXXGOFFWEFRULL-ZETCQYMHSA-N 176.179 1.523 10 10 ADCE CNC(=O)[C@H](N=[N+]=[N-])c1cccs1 136968095 MAYLLQOYVZMKMA-ZCFIWIBFSA-N 196.235 1.846 10 10 ADCE C/C(N)=C\C(=S)C(F)(F)F 217476466 MCTLJSOHAWSWFF-NSCUHMNNSA-N 169.171 1.781 10 10 ADCE [N-]=[N+]=NCCCCOCC(=O)O 220849705 VXMPBLGVFZGKCV-UHFFFAOYSA-N 173.172 1.178 10 10 ADCE Nc1ccc2c(c1O)[C@H](N)CCC2 238609613 VLWBCQIJSXXGCV-SSDOTTSWSA-N 178.235 1.311 10 10 ADCE [N-]=[N+]=CC(=O)c1ccsc1 307331781 PTGZLSPNCUSTGH-UHFFFAOYSA-N 152.178 1.231 10 10 ADCE Nc1ccc(NCc2cocn2)cc1 307374300 SSICBPWITPWKIQ-UHFFFAOYSA-N 189.218 1.869 10 10 ADCE COC1=C/C(=C(/O)N=N)NC=C1 307868207 PCCYNSQTJCMPSD-YFWNPAQZSA-N 167.168 1.392 10 10 ADCE O=C1O[C@@H]2CCC[C@H]2C/C1=C\O 379323313 PBKBTTQHVSACPU-MGRRSFKLSA-N 168.192 1.544 10 10 ADCE Nc1ccc(OC[C@@H]2C=CCN2)cc1 1896335143 PJWWBGBTYGEEDY-JTQLQIEISA-N 190.246 1.176 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2CCCC[C@H]21 1912182432 BNPQUAHPVATOMP-JGVFFNPUSA-N 194.238 1.698 10 10 ADCE CCN[C@H]1CCN(CCCN=[N+]=[N-])C1 1957250287 PEUFAGLYFCBAAH-VIFPVBQESA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=N[C@H](CC(=O)O)c1cccnc1 75449623 MLPJIXIAROTOGC-SSDOTTSWSA-N 192.178 1.908 10 10 ADCE NCc1c(O)c(O)cc2ccccc12 82636204 YDIMZQPRTUWROF-UHFFFAOYSA-N 189.214 1.710 10 10 ADCE S=C1C=C[C@H]2NCCC2=C1 89209675 DTCCEXWNRXDNAC-MRVPVSSYSA-N 151.234 1.214 10 10 ADCE N[C@@H](c1ccc(O)cc1O)C1CC1 95658951 ZIGZSCDOQHCTDH-SNVBAGLBSA-N 179.219 1.508 10 10 ADCE [N-]=[N+]=NCC(=O)OC1CCCC1 108412569 PBLKITSRJMMEAL-UHFFFAOYSA-N 169.184 1.783 10 10 ADCE O/C=C/c1ccc(O)c(O)c1 156075877 OUWKTIRCGDAGJB-ONEGZZNKSA-N 152.149 1.627 10 10 ADCE CCN/C=C1\C(=S)N(C)N=C1C 206838900 YZNPRISSQPLBPD-ALCCZGGFSA-N 183.280 1.129 10 10 ADCE CC(C)OC(=O)[C@@H]1C[C@@H]1CN=[N+]=[N-] 238179055 BLAHMKFJJQCISM-RNFRBKRXSA-N 183.211 1.884 10 10 ADCE CCC[C@@H](N)c1c(O)cccc1CO 238228417 XUUGGWRRDQCKGJ-SECBINFHSA-N 195.262 1.684 10 10 ADCE CC[C@H](N)c1cccc(N)c1O 238318078 QKRGTEPZWYJOGG-ZETCQYMHSA-N 166.224 1.384 10 10 ADCE C[C@@H]1C=C(N=[N+]=[N-])C(=O)O1 238485431 VVMURDBZFPPKMH-GSVOUGTGSA-N 139.114 1.126 10 10 ADCE N[C@H](c1cc(O)ccc1O)C(F)F 238653111 QAHLLEVTDSVFQB-SSDOTTSWSA-N 189.161 1.363 10 10 ADCE Cc1c(Cl)cc(O)c(O)c1C=O 257827456 HWEZQYBVQQKMNG-UHFFFAOYSA-N 186.594 1.872 10 10 ADCE CC(=O)O[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@H]2N=[N+]=[N-] 306470367 QKRALCMUKCPNDG-LTCJVWMTSA-N 193.206 1.493 10 10 ADCE CCOc1ccc2c(c1)[C@H](N)CN2C 527410995 DXUZJPCDAUZSIG-SNVBAGLBSA-N 192.262 1.535 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@H]1CC12CC2 705140896 KEHMYMIFLGAUBQ-SSDOTTSWSA-N 194.238 1.603 10 10 ADCE [N-]=[N+]=NCCc1ccc(O)c(O)c1O 1535829665 JAVPAVMIBNHBEQ-UHFFFAOYSA-N 195.178 1.656 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cccnc1F 1535864142 JEDFVSLFEHWYIZ-LURJTMIESA-N 182.158 1.564 10 10 ADCE NCC=CCOc1ccc(N)cc1 1883787023 ULSBNFZFTDNUSC-UHFFFAOYSA-N 178.235 1.163 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1[C@@H]2CCO[C@H]21 1884443824 DJOVMLYOXNPCTD-DJLDLDEBSA-N 196.254 1.263 10 10 ADCE C[C@H]1C[C@]1(F)C(=O)N1CC(N=[N+]=[N-])C1 1905695265 FOUNMBFKDIVQQN-YLWLKBPMSA-N 198.201 1.256 10 10 ADCE C[C@@H]1CC[C@H](C(=O)NCCN=[N+]=[N-])C1 1912161105 FGOQYFAVERZJQI-SFYZADRCSA-N 196.254 1.849 10 10 ADCE C[C@H]1C[C@](N)(c2ccccc2O)CO1 1928467978 RAGKKEGYDPSESW-GZMMTYOYSA-N 193.246 1.355 10 10 ADCE C[C@H](CO)NCc1ccc(F)cc1O 1964540047 ZIDXXVWDGLDMNP-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE NN[C@H](c1c(O)cccc1F)C1CC1 2080480067 LRBKBBNYTRJUIF-JTQLQIEISA-N 196.225 1.446 10 10 ADCE CC1(CN=[N+]=[N-])CC(=O)C1 2242227036 YDGWBQPYBFGDGO-UHFFFAOYSA-N 139.158 1.666 10 10 ADCE NC[C@@H](CF)c1ccc(O)c(O)c1 107130837 SDVFIMIGJACSGR-SSDOTTSWSA-N 185.198 1.110 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cnccn1 165886634 DZWXTJDQFCUBPG-RXMQYKEDSA-N 149.157 1.848 10 10 ADCE CC(C)C[C@@](O)(CO)N=[N+]=[N-] 238170171 ZUOCYVKFVVBYHC-ZCFIWIBFSA-N 159.189 1.024 10 10 ADCE CCc1cccc([C@H](N)COC)c1O 238304225 YXOXSXJBIJEUES-SNVBAGLBSA-N 195.262 1.601 10 10 ADCE NCCCCc1c(F)ccc(O)c1O 258129412 MZVCTELNJBVKGJ-UHFFFAOYSA-N 199.225 1.518 10 10 ADCE CC[C@@H](N)[C@H](N)c1ccc(C)cc1O 306629127 CEVCQDPIZLANMA-MWLCHTKSSA-N 194.278 1.438 10 10 ADCE CO[C@@H]1O[C@@H]2CS[C@H]1[C@H]2N=[N+]=[N-] 307016001 QPMKBOUTQHGRKX-DPYQTVNSSA-N 187.224 1.152 10 10 ADCE Cc1cccc([C@@H](CO)N=[N+]=[N-])n1 1535833509 CPRCUHMRYQUKML-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE Nc1ccc(N2CCCCN2)cc1 1883133197 OJNXBAWTNQMGCE-UHFFFAOYSA-N 177.251 1.374 10 10 ADCE CC(C)[C@@]1(C)CC(=O)N1CCN=[N+]=[N-] 1888652544 QTKRDBFLXYFXFB-SECBINFHSA-N 196.254 1.944 10 10 ADCE C[C@@]1(N)CCN(c2ccc(N)cc2)C1 1888912673 LTXNLCRJCXADIA-LLVKDONJSA-N 191.278 1.196 10 10 ADCE C[C@@H]1C[C@@]1(N)c1cc(O)ccc1O 1951727656 GHLJMYQPSDJGAX-LDWIPMOCSA-N 179.219 1.292 10 10 ADCE Cc1ccc([C@H]2CC(=O)CN2)c(O)c1 1951959978 AVGLVKITOJDZIE-SNVBAGLBSA-N 191.230 1.304 10 10 ADCE C[C@H]1C[C@@]1(N)c1cc(F)cc(F)c1O 1952064408 MCCFFHHQCJTUFR-RRAGMBSWSA-N 199.200 1.864 10 10 ADCE N[C@H](c1ccc(F)cc1O)C(F)F 1952414590 IDSYAQAEZKPUTC-SSDOTTSWSA-N 191.152 1.796 10 10 ADCE [N-]=[N+]=NCc1ccc(C(N)=O)cc1N 1956946698 CKDDGWUBCPGXAA-UHFFFAOYSA-N 191.194 1.178 10 10 ADCE C[C@H](C(=O)NCCN=[N+]=[N-])C(F)F 2241444203 UAXBSNRHBUNWEC-BYPYZUCNSA-N 192.169 1.314 10 10 ADCE Cc1ccn(CCCN=[N+]=[N-])c(=O)c1 61909554 WSJOVIYKYKLGBH-UHFFFAOYSA-N 192.222 1.857 10 10 ADCE CCN(C(N)=O)c1ccc(N)cc1 63114526 DIPFLSIJLXEUFS-UHFFFAOYSA-N 179.223 1.174 10 10 ADCE CC[C@@H](N)C(=O)c1ccc(O)c(O)c1 74245099 SRELCPJJZUFVLV-SSDOTTSWSA-N 195.218 1.018 10 10 ADCE O=NC1C(=O)c2ccccc2C1=O 100070015 ZQQVLLUALVAKKD-UHFFFAOYSA-N 175.143 1.201 10 10 ADCE COc1ccc2c(c1)N1CCN2CC1 100284273 JXGWTEQLCZEZRC-UHFFFAOYSA-N 190.246 1.335 10 10 ADCE [N-]=[N+]=NCCN1[C@@H]2CC[C@@H]1CC(O)C2 111214194 SLAGVMCFHUWBOQ-HTQZYQBOSA-N 196.254 1.284 10 10 ADCE CC[C@H](N=[N+]=[N-])[C@H]1CCOC(=O)N1 137518851 CKDNLAAVZBTWAM-NTSWFWBYSA-N 184.199 1.574 10 10 ADCE COCC[C@@](C)(N=[N+]=[N-])OC 217882071 HYWLTVPYNCZXKL-LURJTMIESA-N 159.189 1.696 10 10 ADCE CNCc1c(C)cccc1O 221151811 SFIAWCGPMGVJMV-UHFFFAOYSA-N 151.209 1.420 10 10 ADCE CC(C)(C)c1c(O)cc(O)c(O)c1O 238116169 QXRLQJANDVWYCP-UHFFFAOYSA-N 198.218 1.807 10 10 ADCE COc1cc(C)cc(O)c1C(C)(C)N 238375034 CVTAEANKCFLDRB-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE Nc1ccc([C@H](N)CC2CC2)c(O)c1 238635681 RZULICWCPTZMGX-SNVBAGLBSA-N 192.262 1.774 10 10 ADCE CC(C)c1ccc(O)c(CNO)c1 257964556 HHUZPGVRLWKOBJ-UHFFFAOYSA-N 181.235 1.994 10 10 ADCE NCCCCc1cc(O)c(O)c(F)c1 258040815 GBGCNPMDGNHABP-UHFFFAOYSA-N 199.225 1.518 10 10 ADCE CCC[C@@H](N)[C@H](N)c1ccccc1O 396689051 ZQRTTZLMCAEIAA-MWLCHTKSSA-N 194.278 1.519 10 10 ADCE Nc1ccc(CO[C@H]2CCCO2)cc1 686662915 LRTVQQRHZFLYEJ-NSHDSACASA-N 193.246 1.922 10 10 ADCE Nc1ccc(C[C@H](O)C2CC2)cc1 696516428 VYQKOIBEKKDOAV-NSHDSACASA-N 177.247 1.582 10 10 ADCE C[C@H](F)CN1CC[C@H](CN=[N+]=[N-])C1 1881792814 KBKWZTHAQKYKFG-JGVFFNPUSA-N 186.234 1.977 10 10 ADCE CC(=O)C(=O)c1cnn(C(C)C)c1 1951588006 CRZCASZSFQGKAB-UHFFFAOYSA-N 180.207 1.236 10 10 ADCE O=C1C[C@@H](c2cccc(F)c2O)N1 1951667829 SPGNMRGHSNWPRK-ZETCQYMHSA-N 181.166 1.092 10 10 ADCE NC1CC(Sc2nccs2)C1 1953252244 LNXBEUWEFJATIS-UHFFFAOYSA-N 186.305 1.725 10 10 ADCE Oc1cccc(F)c1CNC1COC1 1955544730 RJSSQEHCYSUPPO-UHFFFAOYSA-N 197.209 1.020 10 10 ADCE C[C@H]1CCC[C@H](CN)N1CCN=[N+]=[N-] 1957243880 IUXQNENMQPTXKR-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE CC[C@H](NN)c1cc(OC)ccc1O 2080476403 XHUFNKPRJBCVNA-VIFPVBQESA-N 196.250 1.315 10 10 ADCE [N-]=[N+]=NC[C@@]1(F)CCOC1 2208925935 MWSYILHIQXFDMN-YFKPBYRVSA-N 145.137 1.425 10 10 ADCE CC=CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209521614 WOGZHSLXHIILLY-HTQZYQBOSA-N 194.238 1.910 10 10 ADCE CN[C@@H]1CCc2c(ccc(O)c2O)C1 3982113 BHDFPNRSDABMPW-MRVPVSSYSA-N 193.246 1.175 10 10 ADCE [N-]=[N+]=N[C@H]1CO[C@@H]2[C@@H](N=[N+]=[N-])CO[C@@H]12 145993611 VWLQAMUFRAITOR-OMMKOOBNSA-N 196.170 1.142 10 10 ADCE CCC1(CC)SC(=S)NC1=O 218944301 HVUGMEVRSDKZHF-UHFFFAOYSA-N 189.305 1.693 10 10 ADCE CC(C)[C@H]1CCNC(=O)[C@@H](N=[N+]=[N-])C1 221249508 MHPPWJVTQHKOFD-YUMQZZPRSA-N 196.254 1.848 10 10 ADCE COC(=N)Cc1ccc(N)cc1 238341793 PBBRUBKINYEKGD-UHFFFAOYSA-N 164.208 1.435 10 10 ADCE CN(CCO)N=Nc1ccccc1 256005203 UTOPHVHLAPIZON-UHFFFAOYSA-N 179.223 1.609 10 10 ADCE Cc1c(CN)cc(O)c(O)c1C 258114959 ZKUIDZISVDBUPW-UHFFFAOYSA-N 167.208 1.173 10 10 ADCE CCN=NC(C)(C)C(=O)NCC 307915522 ZMKAJNVZQTZVTF-UHFFFAOYSA-N 171.244 1.373 10 10 ADCE C/C=C\C[C@@H](N=[N+]=[N-])C(=O)O 379037746 FXBGSPLRQXMWHC-RLUJCOFPSA-N 155.157 1.716 10 10 ADCE Nc1ccc(OC[C@H]2CCO2)cc1 1888550052 FQBMRBFODQLXRH-SNVBAGLBSA-N 179.219 1.437 10 10 ADCE CC1(F)CN(CCCN=[N+]=[N-])C1 1912186595 FLHIFCINJUFZGY-UHFFFAOYSA-N 172.207 1.731 10 10 ADCE C[C@@H]1CC[C@@H](CN2CC(N=[N+]=[N-])C2)O1 1912192802 KFDJUMVRHMZQEM-APPZFPTMSA-N 196.254 1.548 10 10 ADCE C[C@@H](CCO)N(C)c1ccc(N)cc1 1916996330 MBJUYPZZHQUXJV-VIFPVBQESA-N 194.278 1.476 10 10 ADCE CC(C)(C)N1C[C@@H](O)[C@H](N=[N+]=[N-])C1 1935114962 UQMKXBOJGHRYFR-RNFRBKRXSA-N 184.243 1.140 10 10 ADCE CC(C)[C@H](C)C(=O)NCCN=[N+]=[N-] 69691122 CDCWWCDNMUKMBJ-ZETCQYMHSA-N 184.243 1.705 10 10 ADCE C[C@H](NC1COC1)c1ccccc1O 87194746 NVQVNAGBUIDZDZ-QMMMGPOBSA-N 193.246 1.442 10 10 ADCE Cc1c(F)ccc([C@@H]2CCN2)c1O 95785248 GRZAJOMLLSIPOA-VIFPVBQESA-N 181.210 1.874 10 10 ADCE CON[C@H](C)c1ccc(OC)cc1O 134233236 FHTQKQWLIVDWRJ-SSDOTTSWSA-N 197.234 1.613 10 10 ADCE Cc1c(F)cc(Cl)c(O)c1CN 213439057 UZAOGGBVSAZDIR-UHFFFAOYSA-N 189.617 1.952 10 10 ADCE Nc1cnc(Sc2ncco2)s1 236359193 PGVSKELIITWAOX-UHFFFAOYSA-N 199.260 1.865 10 10 ADCE CC1(C)O[C@H]2[C@H](N=[N+]=[N-])C=C[C@H]2O1 238187347 NNADTQCNGPJSSH-QYNIQEEDSA-N 181.195 1.755 10 10 ADCE C[C@H]1C[C@H](c2cccc(O)c2O)CN1 238474116 VOLIBURRFVCJRE-YUMQZZPRSA-N 193.246 1.563 10 10 ADCE Cc1c(F)ccc([C@H](N)CF)c1O 238489207 RISGPPWWHQIESG-MRVPVSSYSA-N 187.189 1.809 10 10 ADCE Cc1cccc(O)c1[C@@](C)(N)CCO 238536611 VZUZQDACBGDMJJ-NSHDSACASA-N 195.262 1.257 10 10 ADCE CONCc1c(O)ccc2c1COC2 258053583 KSUSRMAZAMHPIR-UHFFFAOYSA-N 195.218 1.073 10 10 ADCE CC(C)(CO)SCCN=[N+]=[N-] 380966355 VBOSMKKKXIJKRF-UHFFFAOYSA-N 175.257 1.801 10 10 ADCE CCOCCCN(C)CCN=[N+]=[N-] 382839083 DVNYOPDVYJSJEJ-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE C[C@@H]1CNCC/C1=C\c1nccn1C 690647267 MMUGKDOBRGLBAV-YIXGCBLDSA-N 191.278 1.433 10 10 ADCE CC(C)(C(F)F)[C@@H](O)CN=[N+]=[N-] 1881236478 GADVEIYAQVCJKG-BYPYZUCNSA-N 179.170 1.949 10 10 ADCE C=C=CCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1885411754 JSSDNJXQAVSNNZ-QMMMGPOBSA-N 192.222 1.629 10 10 ADCE COC[C@H]1C=CCN1CCCN=[N+]=[N-] 1885821782 BZJGYAYJZHFFMY-SECBINFHSA-N 196.254 1.574 10 10 ADCE CO[C@H](CN1CC(N=[N+]=[N-])C1)C(C)C 1912195943 RSEFHHUWTBDIJG-SECBINFHSA-N 198.270 1.652 10 10 ADCE CC(C)(C)C(=O)[C@@H]1CCC(=O)C1=O 1932574407 ZQLQIXCYKWUBJU-ZCFIWIBFSA-N 182.219 1.150 10 10 ADCE CN(C)c1ccc(OC[C@@H]2CO2)cc1 34525813 RPLVRVJTBCPOMN-LLVKDONJSA-N 193.246 1.530 10 10 ADCE Oc1ccc(C[C@@H]2CCCO2)cc1O 39039188 NCFVBMSISZSMQV-VIFPVBQESA-N 194.230 1.819 10 10 ADCE C[C@@H]1O[C@H]1C(C)(C)N=[N+]=[N-] 39132233 NNEZRQIKYAZODJ-CRCLSJGQSA-N 141.174 1.863 10 10 ADCE CC[S@@](=O)CCN=[N+]=[N-] 42416629 OSYGWNPUGASKNO-VIFPVBQESA-N 147.203 1.065 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1CCCO1 42465515 BOFUPMPFIFSBIO-SECBINFHSA-N 198.270 1.798 10 10 ADCE Nc1sc2c(c1O)CCOC2 84228052 RCTWFMSLMMTXIP-UHFFFAOYSA-N 171.221 1.109 10 10 ADCE C[C@H]1CCCN1C[C@@H](O)CN=[N+]=[N-] 203325897 LQRQYVBTGYXZKE-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE CC/C(=C\C(=O)OC)N=[N+]=[N-] 209539022 NLAMRKUNHZSMQB-SNAWJCMRSA-N 155.157 1.764 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CCCC[C@@H]1O 210724442 BULKLTJRSMWMDW-RQJHMYQMSA-N 153.185 1.766 10 10 ADCE Cc1ccc(CC(=O)O)c(O)c1O 212970920 YRBWSCLYRFBIMI-UHFFFAOYSA-N 182.175 1.033 10 10 ADCE C[C@H](c1c(O)cccc1O)N(C)C 235148891 GRNVNXJFJVEKBD-SSDOTTSWSA-N 181.235 1.720 10 10 ADCE CCc1cc(O)c(O)cc1C(=O)O 238335692 KHAZKNLLXKQGIC-UHFFFAOYSA-N 182.175 1.358 10 10 ADCE [N-]=[N+]=N[C@H]1CC(C(N)=O)C[C@@H]1N=[N+]=[N-] 238629359 ZCTMWTOELWRVRT-WHFBIAKZSA-N 195.186 1.240 10 10 ADCE COC(=O)[C@]1(CN=[N+]=[N-])CCN=N1 238800411 UYZDCOVWASMUFQ-ZCFIWIBFSA-N 183.171 1.064 10 10 ADCE CCOc1ccc(N(C)CN)cc1C 258978605 XTTGYHXNLQMGGO-UHFFFAOYSA-N 194.278 1.746 10 10 ADCE C[C@@H]1CCC(=O)N(CCN=[N+]=[N-])C1 689004055 YLGHJKMMYDWKLQ-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE CN(CCN=[N+]=[N-])C[C@]12COC[C@H]1C2 689366553 WLNKNTMGCSYINL-RKDXNWHRSA-N 196.254 1.265 10 10 ADCE CC1=C=S=C(C)[C-]1C(=O)C1CC1 885383939 BJTUIGWZBCXYMH-UHFFFAOYSA-N 179.264 1.826 10 10 ADCE [N-]=[N+]=NCc1cn(CC2CC2)nn1 1535710423 QFXCNBWFAXPPJF-UHFFFAOYSA-N 178.199 1.498 10 10 ADCE CC(=CCCN)c1ncc2n1CCC2 1887951474 SAZPMOIUIAJNEA-UHFFFAOYSA-N 191.278 1.581 10 10 ADCE [N-]=[N+]=NC1CN(C2C[C@H]3C[C@@H]3C2)C1 1954757296 FJRGMBJWCAMRAK-RNFRBKRXSA-N 178.239 1.779 10 10 ADCE CCCOc1ccc(CN)c(O)c1 50273159 JJEUMZACURDTKP-UHFFFAOYSA-N 181.235 1.640 10 10 ADCE C[C@@H](c1ccc(O)c(O)c1)C1(N)CC1 84353709 ZOPNYWFPKXQWLA-ZETCQYMHSA-N 193.246 1.693 10 10 ADCE [N-]=[N+]=NCCC1=CCC[C@H](O)[C@@H]1O 221437839 KIHOVQWTQHDRIX-JGVFFNPUSA-N 183.211 1.129 10 10 ADCE COc1cc(O)c(CN(C)C)cc1O 238391305 NYBJPNUQJAJFJZ-UHFFFAOYSA-N 197.234 1.168 10 10 ADCE [N-]=[N+]=NC(=S=O)c1ccccc1 238614158 QTJXVPWZSCFABH-UHFFFAOYSA-N 179.204 1.688 10 10 ADCE Cc1cc(F)c(O)c(CNO)c1 257933314 BZAZRUVKZHROMU-UHFFFAOYSA-N 171.171 1.319 10 10 ADCE Cc1cc(C(=O)O)c(O)c(O)c1C 258128675 RGNRXPJDNHQWKY-UHFFFAOYSA-N 182.175 1.413 10 10 ADCE OCc1ccc(O)c2c(O)csc12 306697169 YVMZYWBSTIGILQ-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CC(C)(C)CN=NCO 307834410 XUDLRRAELOVQGB-UHFFFAOYSA-N 130.191 1.435 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCCC12CCOCC2 757211824 OMKYQQSCKSNJQO-QMMMGPOBSA-N 197.238 1.882 10 10 ADCE [N-]=[N+]=NC[C@H]1NC[C@H](C2CC2)O1 885299051 MMRMLACAHAWACU-RQJHMYQMSA-N 168.200 1.021 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(Cc2ccno2)C1 1912157781 ZFEJTAHYYZHPGN-SSDOTTSWSA-N 193.210 1.559 10 10 ADCE CCOCCN1CCC(N=[N+]=[N-])CC1 1912207287 WOGMXNBPQWWDOT-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE COC[C@](C)(N)c1ccc(C)cc1O 1951666544 XERLBDYBNIVULC-NSHDSACASA-N 195.262 1.521 10 10 ADCE Oc1c(F)cccc1[C@H]1C[C@H](F)CN1 1952889504 GBGWWXTWIKJOOB-IMTBSYHQSA-N 199.200 1.904 10 10 ADCE [N-]=[N+]=NCCn1cccc(F)c1=O 2241636655 QTBDLHFYECXRPQ-UHFFFAOYSA-N 182.158 1.298 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CNCC1(C)C 2242241071 OQJRXADZQGLWLN-QMMMGPOBSA-N 197.286 1.227 10 10 ADCE C[C@@H]1OC(=O)c2cc(O)c(O)c(O)c21 14815022 AGUVVAYMPQDJDX-VKHMYHEASA-N 196.158 1.035 10 10 ADCE in-vivo Nc1ccc(OCc2cnoc2)cc1 37675909 DXHCPIOQCHPUOL-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE [N-]=[N+]=NC[C@@H]1CO[C@H]2OCCC[C@@H]12 38350508 XLUFRVIJYSAHOQ-GJMOJQLCSA-N 183.211 1.696 10 10 ADCE Nc1ccc(F)c([C@@H]2CCCN2)c1O 72201725 VNWVEDHDYXFXBE-QMMMGPOBSA-N 196.225 1.538 10 10 ADCE CCC[C@@H](C)/C=C1\C(=O)NN=C1C 90416239 HLNVWNDOYZNXIC-WRDFDADTSA-N 180.251 1.855 10 10 ADCE CC(C)(C)C1=N/C(=C\O)C(=O)O1 100205184 XVHUPAVXAZHJSD-PLNGDYQASA-N 169.180 1.387 10 10 ADCE C[C@@H](N)Cc1nc2c([nH]1)CCSC2 107238281 ZOHOSNMNUMVFQX-ZCFIWIBFSA-N 197.307 1.089 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@@H](O)C1 125585134 KRIUAUUUXDACLZ-CRCLSJGQSA-N 127.147 1.210 10 10 ADCE COc1sccc1O 204231230 UGUOPLPLWREUFB-UHFFFAOYSA-N 130.168 1.462 10 10 ADCE CC(C)(CCN)Oc1ccc(N)cc1 204463027 OEMVCSPRDRPKTF-UHFFFAOYSA-N 194.278 1.775 10 10 ADCE Oc1cccc([C@@H]2CCCN2)c1O 238682193 PBMLOOHVYDGHPK-QMMMGPOBSA-N 179.219 1.522 10 10 ADCE CC(C)C(=O)C(=O)Cc1ccccn1 258621548 QENIXWBIEODJKR-UHFFFAOYSA-N 191.230 1.418 10 10 ADCE Cn1c(Cl)cnc1/C=C/CCN 300782923 VNPIJUWHXKSVNR-DUXPYHPUSA-N 185.658 1.436 10 10 ADCE Nc1ccc(CO)c2scc(O)c12 307162407 ICGCTDIJEICJGO-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE Nc1ccc(CO[C@@H]2CCCO2)cc1 686662914 LRTVQQRHZFLYEJ-LLVKDONJSA-N 193.246 1.922 10 10 ADCE CO[C@H]1CC[C@@H]1N(C)CCN=[N+]=[N-] 724143724 YMJQFIUGJBYJQN-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE COc1cc([C@@H](CO)N=[N+]=[N-])ccn1 1535661649 XWRJQEJSEIANBV-SSDOTTSWSA-N 194.194 1.434 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]1CF 1880297203 LIDNXUFGBFGDCD-LURJTMIESA-N 158.180 1.341 10 10 ADCE CC[C@H](C)[C@H]1CO[C@H](CN=[N+]=[N-])N1 1883970295 SLQXYTPAZHLCDQ-XLPZGREQSA-N 184.243 1.657 10 10 ADCE CN(CCN=[N+]=[N-])Cc1cncnc1 1885176477 JHMGGNBPAIZFAI-UHFFFAOYSA-N 192.226 1.219 10 10 ADCE COc1cc(C)ccc1C(=O)C(C)=O 1951492423 SWUAZPYURLSYRX-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE NC[C@@]1(F)C[C@@H]1c1ccc(O)c(O)c1 1952672173 TZMVPRGSQHUQPO-XCBNKYQSSA-N 197.209 1.252 10 10 ADCE C[C@@H]1[C@@H](N)CCN1CCCN=[N+]=[N-] 1954206805 MHGSYRSQTJQEDV-SFYZADRCSA-N 183.259 1.108 10 10 ADCE CCN(CCCCN=[N+]=[N-])C[C@H](C)N 1957244489 PXBQOHYQFVFQPM-VIFPVBQESA-N 199.302 1.746 10 10 ADCE CNC[C@H]1CCN(CCCN=[N+]=[N-])C1 1957246585 CLLCFDKWNBARQO-SECBINFHSA-N 197.286 1.228 10 10 ADCE O=C(O)N1CC(=S)CSC1=O 7078794 PXCZUMLWTQIWEQ-UHFFFAOYSA-N 191.233 1.203 10 10 ADCE N[C@@H](CCCO)c1ccc(F)cc1O 95685828 PFJPPOCWZKWWPI-VIFPVBQESA-N 199.225 1.304 10 10 ADCE Oc1c(F)cc(F)cc1[C@@H]1CCN1 104459233 SCHRGWWJLKGUJG-QMMMGPOBSA-N 185.173 1.705 10 10 ADCE [N-]=[N+]=NC[C@@H]1COc2cccnc2O1 138569490 HSXAXQKKMSALIN-ZCFIWIBFSA-N 192.178 1.532 10 10 ADCE Oc1c(F)ccc2c1CNCC2 212274864 NTSBGJLFHOPPFU-UHFFFAOYSA-N 167.183 1.177 10 10 ADCE CC[S@@](=O)c1cccc(O)c1O 238325954 NVMVTRYGKXZGSW-GFCCVEGCSA-N 186.232 1.225 10 10 ADCE Nc1ccc2c(c1)NC(=O)/C2=C\O 238616577 AYESTLXAQHOBFT-DAXSKMNVSA-N 176.175 1.120 10 10 ADCE C[C@]1(c2c(O)cccc2O)CCCN1 258186739 WXZQRCQUWRBTEM-LLVKDONJSA-N 193.246 1.696 10 10 ADCE Cc1ccc(N)c(O)c1[C@@H]1CCN1 307338938 HRLMMVDASSHJIJ-QMMMGPOBSA-N 178.235 1.317 10 10 ADCE C[C@@H]1C(=O)N(CCN=[N+]=[N-])[C@@H](C)[C@H]1C 307499890 LZBFFKXSSAJEOH-FXQIFTODSA-N 196.254 1.800 10 10 ADCE [N-]=[N+]=NCC/C=C/C=C/CO 382079420 DSTNMOJAQPQYGX-NRNIAZNESA-N 153.185 1.792 10 10 ADCE C[C@H](N)[C@@H](C)NCc1ccccc1O 393691105 PYAWCARKUCTYPG-DTWKUNHWSA-N 194.278 1.218 10 10 ADCE CC(C)[C@H]1CO[C@H](CN=[N+]=[N-])N1 885318720 BWEIZPSQPQCLTO-RNFRBKRXSA-N 170.216 1.267 10 10 ADCE CO[C@@H]1C[C@H]1CN(C)CCN=[N+]=[N-] 1882816304 YVVOYMHLUPLIQF-JGVFFNPUSA-N 184.243 1.263 10 10 ADCE CC[C@@H](C(C)C)[C@@H](O)C(=O)C(C)=O 1883041882 LMGPKXNDHYFUGI-WCBMZHEXSA-N 186.251 1.188 10 10 ADCE C[C@@H]1OCC[C@@H]1CN(C)CCN=[N+]=[N-] 1884942992 WXSIWPVWWQQZKM-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE Cn1ccnc1C=C1CCN[C@@H]2C[C@@H]12 1884996315 PBJGLWGNUVAWPH-VHSXEESVSA-N 189.262 1.185 10 10 ADCE [N-]=[N+]=NCCN1Cc2cccnc2C1 1887378319 NBMGUCFYTJQVPT-UHFFFAOYSA-N 189.222 1.708 10 10 ADCE COc1ccc(C)c(C(=O)C(C)=O)c1 1951485706 FLVSTDHPWBTOEO-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE C[C@]1(c2cccc(F)c2O)CC(=O)N1 1951860927 RSQLYADWGIPSHL-SNVBAGLBSA-N 195.193 1.266 10 10 ADCE CC(=O)C(=O)[C@H](O)C12CCC(CC1)C2 1955359786 JBQSNXBKAFDEFV-JZQLECPJSA-N 196.246 1.086 10 10 ADCE CCc1cnn(CCN=[N+]=[N-])c(=O)c1 2242141829 PMWXYKBZWIGPMC-UHFFFAOYSA-N 193.210 1.116 10 10 ADCE CCc1cc(C)c(O)c([C@H](N)CO)c1 95783089 NGCJWBQNYGXGQX-SNVBAGLBSA-N 195.262 1.255 10 10 ADCE C[C@H](N)c1cc(CC(=O)O)ccc1O 211593958 DULCIQVPGZZSNN-LURJTMIESA-N 195.218 1.039 10 10 ADCE C[C@@H](O)CCCNc1ccc(N)cc1 227532039 BCTHVDVEXITGID-SECBINFHSA-N 194.278 1.842 10 10 ADCE CC(C)c1ccc(O)c2c1OC[C@@H]2N 238159044 LUJDKMHIISVUPB-QMMMGPOBSA-N 193.246 1.908 10 10 ADCE [N-]=[N+]=CC(=O)CC1CCCCC1 238630271 XSQMRVVOOYLFIW-UHFFFAOYSA-N 166.224 1.827 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCO 307529101 LGCLEZGAQFGFIB-FKSUSPILSA-N 167.212 1.704 10 10 ADCE N=C(N=Nc1ccc(F)cc1)NO 383471759 DCUKZDIUHMKAEZ-UHFFFAOYSA-N 182.158 1.823 10 10 ADCE [N-]=[N+]=NCc1cnsc1 1912165069 FWSRXRNOOSRSHW-UHFFFAOYSA-N 140.171 1.953 10 10 ADCE [N-]=[N+]=NC1CN(Cc2cnoc2)C1 1912202123 BVRVSLCNEGLDKF-UHFFFAOYSA-N 179.183 1.169 10 10 ADCE Cc1n[nH]cc1CCN=[N+]=[N-] 1951473785 QRDRRBDBXSYSCL-UHFFFAOYSA-N 151.173 1.571 10 10 ADCE C[C@]1(CO)C[C@H]1c1ccc(O)c(O)c1 1951962321 NJNIYOIEWSYFEM-GZMMTYOYSA-N 194.230 1.584 10 10 ADCE Nc1cc(F)cc([C@@H]2CCCN2)c1O 72201723 NOVKFAFUCUSUEM-VIFPVBQESA-N 196.225 1.538 10 10 ADCE COc1ccc(N(C)CCN)cc1F 82588989 IWPWVRVCAUUTEP-UHFFFAOYSA-N 198.241 1.229 10 10 ADCE C[C@H]1C[C@]1(N)c1ccccc1O 84330060 MJIAHNWMXPAKOM-OIBJUYFYSA-N 163.220 1.586 10 10 ADCE NCCC[C@@H](N)c1cccc(F)c1O 575438721 DELJBYUDWPUSMX-SECBINFHSA-N 198.241 1.270 10 10 ADCE Cn1ccnc1/C=C1\CC[C@H](N)C1 690647368 MUBJHCIXQMNEOJ-FLOXNTQESA-N 177.251 1.315 10 10 ADCE [N-]=[N+]=NCCCNC(=O)NCC1CC1 700988344 TYFLYNMRVLSBCE-UHFFFAOYSA-N 197.242 1.396 10 10 ADCE C=CC(=O)N(C)c1ccc(N)cc1 702064579 MYLTYVTWSPRZQC-UHFFFAOYSA-N 176.219 1.418 10 10 ADCE Cn1cnc(Nc2ccc(N)cn2)c1 953080095 IJPAEFRHLHDGOU-UHFFFAOYSA-N 189.222 1.141 10 10 ADCE C[C@@H](F)CN(C)c1ccc(CN)cc1 1884521821 FLXIPQSCHXKBSL-SECBINFHSA-N 196.269 1.940 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC[C@@H]2C[C@H]21 1891408397 VFQBGURFIJKOAI-KKZNHRDASA-N 196.246 1.086 10 10 ADCE CC(=O)NC=Cc1ccc(O)c(O)c1 1911826975 LTVSVRGGYNFOEB-UHFFFAOYSA-N 193.202 1.205 10 10 ADCE CN(CCN=[N+]=[N-])CC[C@@H]1CCO1 2242534020 HUPHNYVNEPNXLX-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CC[C@@](C)(O)CN=[N+]=[N-] 144918847 SBXVRBBPPKNPCB-RXMQYKEDSA-N 129.163 1.458 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1CCC(=O)CC1 199992098 BUXSRAOLRRGHLT-QMMMGPOBSA-N 183.211 1.417 10 10 ADCE [N-]=[N+]=N[C@H](CN)c1ccccc1 238622414 DRVYNJWZMULVCN-MRVPVSSYSA-N 162.196 1.997 10 10 ADCE NC(=O)/C(=C\O)Sc1ccccc1 307079984 RLVZTJJHVKANHS-SOFGYWHQSA-N 195.243 1.663 10 10 ADCE [N-]=[N+]=NC[C@]1(O)C[C@H]2CC[C@H]1C2 307093272 CSDBKICBEQSVGU-BIIVOSGPSA-N 167.212 1.848 10 10 ADCE C[C@]1(O)CCC[C@@]1(C)N=[N+]=[N-] 307146933 OCEHOMXEYLHWMC-RQJHMYQMSA-N 155.201 1.990 10 10 ADCE [N-]=[N+]=N/C=C\C(=O)N1CCCC1 383691209 YJOAYTDHAMWACD-ARJAWSKDSA-N 166.184 1.433 10 10 ADCE CN(C)CCCc1cccc(O)c1O 396128855 NRXGKPFBKWEZSN-UHFFFAOYSA-N 195.262 1.592 10 10 ADCE C[C@@H]1CO[C@H](CN=[N+]=[N-])C1 536958198 MHWXROIZFXYGKM-WDSKDSINSA-N 141.174 1.722 10 10 ADCE [N-]=[N+]=NC[C@@H]1NCCCCS1 642818021 KTFKXRXJHLYYNN-ZCFIWIBFSA-N 172.257 1.739 10 10 ADCE CC[C@H]1N[C@@H](CN=[N+]=[N-])OC1(C)C 885456333 CSODYLHMAPEEJZ-RNFRBKRXSA-N 184.243 1.800 10 10 ADCE CN(C[C@H]1CCO1)c1ccc(N)cc1 1888521110 NSJRPDXXCJCIQV-LLVKDONJSA-N 192.262 1.494 10 10 ADCE [N-]=[N+]=NC[C@H](O)CC1CCC1 1889508995 BODAHJKUBIQBHK-SSDOTTSWSA-N 155.201 1.848 10 10 ADCE Nc1ccc(CNCCCCO)cc1 1929710160 BPVURWGWKKTQOB-UHFFFAOYSA-N 194.278 1.131 10 10 ADCE Cc1ccc([C@]2(N)C[C@H]2C)c(O)c1 1951732604 IMFHPCOHYOWWIJ-KCJUWKMLSA-N 177.247 1.894 10 10 ADCE Cc1cccc(N)c1N[C@@H]1CC[C@H]1O 1955644038 XUQCLIFOQMMETK-NXEZZACHSA-N 192.262 1.512 10 10 ADCE CC[C@H](N)CN(C)CCCCN=[N+]=[N-] 1957244493 PXTAPODJHYNEED-VIFPVBQESA-N 199.302 1.746 10 10 ADCE Nc1ccc(CCc2ncc[nH]2)cc1 82530036 NBOLMDNLNZZDAV-UHFFFAOYSA-N 187.246 1.777 10 10 ADCE Nc1ccc(OCCOC2CC2)cc1 204876785 XNDDSAPHURZYKX-UHFFFAOYSA-N 193.246 1.827 10 10 ADCE CC[C@H](/C=C\C(=O)OC)N=[N+]=[N-] 215090960 WNMGBCZXWLVJMK-WWVFMHICSA-N 169.184 1.805 10 10 ADCE C[C@H](N=[N+]=[N-])c1ccncn1 225720389 BNQPQECACJHYSA-YFKPBYRVSA-N 149.157 1.848 10 10 ADCE CC(=O)OC[C@@H]1CC=C[C@H](N=[N+]=[N-])O1 238155165 DPRFZDJYNBAXLV-JGVFFNPUSA-N 197.194 1.531 10 10 ADCE CC(C)C(=O)COc1ccc(N)cc1 238189902 TVVORCSHLKXVRS-UHFFFAOYSA-N 193.246 1.873 10 10 ADCE CCOC(=O)CC[C@H](O)CN=[N+]=[N-] 238268947 YLPBRGIFBUYYAV-LURJTMIESA-N 187.199 1.001 10 10 ADCE C[C@]1(N=[N+]=[N-])CCCC[C@H]1O 238485746 XNNJMTWCMITJHV-RQJHMYQMSA-N 155.201 1.990 10 10 ADCE [N-]=[N+]=N/C=C1/C(=O)O[C@H]2CCC[C@@H]12 307537637 VKKGMXMKXGONJM-PBFHFMIUSA-N 179.179 1.906 10 10 ADCE OC(O)=CN=Nc1cc[nH]n1 382633057 HPKLESQQUMSVOA-UHFFFAOYSA-N 154.129 1.408 10 10 ADCE C[S@](=O)N1CCC[C@H]1CN=[N+]=[N-] 692825226 AVYBVVWDGYVWSF-QTTZVWFDSA-N 188.256 1.055 10 10 ADCE CC[C@@H](C)NC(=O)NCCN=[N+]=[N-] 704204620 ISDCNURLKZAWBU-ZCFIWIBFSA-N 185.231 1.394 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H]1CCSC1 1535684078 BVJDYLRDXUYMRE-NTSWFWBYSA-N 173.241 1.411 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@]12CCC[C@H]1C2 1893742751 DVWSUBAVHYGLFS-BIIVOSGPSA-N 167.212 1.848 10 10 ADCE CO[C@H](C)CN1CCC[C@H](N=[N+]=[N-])C1 1912163964 QBUFGLVZVUCSSR-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CNC[C@@H](C)CN=[N+]=[N-] 1953146975 MPNVCVLNDRAIGV-RXMQYKEDSA-N 128.179 1.152 10 10 ADCE C[C@@H](N)[C@H](N=[N+]=[N-])c1ccccn1 1954081181 KFWBRRXXTWMLIN-SVRRBLITSA-N 177.211 1.780 10 10 ADCE C[C@]1(N)CCCN(CCCN=[N+]=[N-])C1 1957244513 QFSGTMBLGBWXJD-VIFPVBQESA-N 197.286 1.500 10 10 ADCE C[C@H]1C[C@H](N)CN1CCCCN=[N+]=[N-] 1957245261 WDXWYXQVGWNQCK-IUCAKERBSA-N 197.286 1.498 10 10 ADCE C[C@H]1C[C@H](CN)CCN1CCN=[N+]=[N-] 1957250904 TVRXKNVNOAQDJW-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE Cc1cc(N(C)C)ccc1[C@@H](N)CN 44469555 SMJNJVHEUXJOLD-NSHDSACASA-N 193.294 1.020 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1cscn1 62362024 GAKRCLVLNLGBPU-UHFFFAOYSA-N 197.223 1.183 10 10 ADCE Nc1ccc(Oc2cncnc2)cc1 83252065 NIULNGPCCYCOEM-UHFFFAOYSA-N 187.202 1.851 10 10 ADCE CNCc1c(O)ccc(F)c1Cl 107350578 KKMKWGLETIDDCF-UHFFFAOYSA-N 189.617 1.904 10 10 ADCE CC(=O)C(=O)[C@H](C)C(C)(C)C 196088597 XOSMNMDVLNIJDS-LURJTMIESA-N 156.225 1.827 10 10 ADCE [N-]=[N+]=N[C@H]1CO[C@H]2[C@H](N=[N+]=[N-])CO[C@H]12 196349686 VWLQAMUFRAITOR-GUCUJZIJSA-N 196.170 1.142 10 10 ADCE CC1([C@@H](N=[N+]=[N-])C(=O)O)CC1 211627877 UVOFLGDPXJDRFU-BYPYZUCNSA-N 155.157 1.550 10 10 ADCE C[C@H](N)c1cccc(S)c1O 211740322 SDEKQKXIGFEWMZ-YFKPBYRVSA-N 169.249 1.701 10 10 ADCE NCc1c(Cl)ccc(F)c1O 212010911 IWCWNJCHXBPJQR-UHFFFAOYSA-N 175.590 1.643 10 10 ADCE [N-]=[N+]=NCCCC[C@@H]1CO1 214310681 IXVLZKCYOVTJTI-ZCFIWIBFSA-N 141.174 1.866 10 10 ADCE CC(=O)O[C@@H]1C=C[C@@H](N=[N+]=[N-])CC1 215529982 NYEKKGWNQMUDIP-HTQZYQBOSA-N 181.195 1.947 10 10 ADCE Cc1cc(O)c(O)c(C=O)c1C 238471266 LMPWIICOKRNKGJ-UHFFFAOYSA-N 166.176 1.527 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]2CCN1C2 238596443 INBMXVCHBDMKPN-RITPCOANSA-N 138.174 1.348 10 10 ADCE CC(C)[C@@H](O)/C=C/N=[N+]=[N-] 306950792 CVQLTMXRQUIFDV-YUDCMIJISA-N 141.174 1.827 10 10 ADCE Nc1ccc(N[C@@]23COC[C@@H]2C3)cc1 718061751 JRKAOFIKSPZRIB-KWQFWETISA-N 190.246 1.470 10 10 ADCE C[C@@H]1N[C@H](CN=[N+]=[N-])O[C@H]1C 885255546 OQIOJLQTPMMVGV-ZLUOBGJFSA-N 156.189 1.020 10 10 ADCE Cc1nc[nH]c1[C@@H](CO)N=[N+]=[N-] 1535835941 OJPXOIUHNGFIRP-RXMQYKEDSA-N 167.172 1.062 10 10 ADCE O=C1CCCCCC(F)(F)C1=O 1932350844 PBDMLBSFCKUOFO-UHFFFAOYSA-N 176.162 1.724 10 10 ADCE COC(=O)c1ccc(CN=[N+]=[N-])cn1 1951596603 KNRZXYBHGBXUQP-UHFFFAOYSA-N 192.178 1.679 10 10 ADCE NC1(c2cccc(O)c2O)CC=CC1 1952447518 GESWVDAJRNVWBF-UHFFFAOYSA-N 191.230 1.602 10 10 ADCE CN[C@H](CF)c1cc(C)ccc1O 1952559622 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10 10 ADCE COCCCN1CCC(N=[N+]=[N-])CC1 1912179499 UYHOEYLNNIGVNT-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE C[C@H](C(=O)O)[C@@H](C)N1CC(N=[N+]=[N-])C1 1912195089 XLVHWGUZYIGBLX-NTSWFWBYSA-N 198.226 1.090 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@H]2CCCC[C@H]21 1929219373 AMSFOMGIQBYJPM-KKZNHRDASA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@H](N)C1 1954207184 RQGRYBTUFDQPOC-QMMMGPOBSA-N 183.259 1.110 10 10 ADCE CNCCC[C@@H](C)N(C)CCN=[N+]=[N-] 1957245642 ZGZPMUWOUISDIC-SECBINFHSA-N 199.302 1.617 10 10 ADCE Nc1ccc(CCC(=O)OCF)cc1 2242487637 DYEYNFGGMQICRS-UHFFFAOYSA-N 197.209 1.672 10 10 ADCE Nc1cccc2c1C(=O)CC2=O 34188305 VPHAFJMMCBWBTN-UHFFFAOYSA-N 161.160 1.038 10 10 ADCE CC(=O)c1cc2c(c(O)c1O)OCC2 39477596 RKKSTTMFPNCPIP-UHFFFAOYSA-N 194.186 1.235 10 10 ADCE N=C(N)CCSc1nccs1 40676960 QEDWGWKSHUIPMH-UHFFFAOYSA-N 187.293 1.561 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H](C)O1 42415744 AMPBMYGQKKYPAJ-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE CCN(CCO)CCCN=[N+]=[N-] 42416006 UXUBZHYJZHKTNS-UHFFFAOYSA-N 172.232 1.001 10 10 ADCE C[C@H](c1ccc(F)cc1O)N(C)O 82877793 HUVSXESRKNZJIP-ZCFIWIBFSA-N 185.198 1.913 10 10 ADCE C[C@@H]1NCc2cccc(N)c2N[C@@H]1C 143973205 HBCQOPCEEZENQF-JGVFFNPUSA-N 191.278 1.561 10 10 ADCE NC(=O)CC(=S)c1ccccc1 196623039 UUOXCNPCUOAGAY-UHFFFAOYSA-N 179.244 1.280 10 10 ADCE C[C@H](CO)C[C@H](C)CN=[N+]=[N-] 212360075 SOFQMAFMVYCFOO-BQBZGAKWSA-N 157.217 1.951 10 10 ADCE CC(=O)Nc1cc(O)c(O)cc1N=O 238077341 WGAXPLCZYRYBIX-UHFFFAOYSA-N 196.162 1.454 10 10 ADCE CC(C)(N)c1cc(S)ccc1O 238151150 PMIWDTXEJFRUIC-UHFFFAOYSA-N 183.276 1.875 10 10 ADCE COC(=O)C(F)(F)CCN=[N+]=[N-] 238368078 NJGQILLSWRJVCA-UHFFFAOYSA-N 179.126 1.495 10 10 ADCE CC[C@@]1(CO)CC[C@H](CN=[N+]=[N-])OC1 689183377 HASLERMDBMCOEF-BDAKNGLRSA-N 199.254 1.864 10 10 ADCE [N-]=[N+]=NCCN1CCN2CCC1CC2 722794434 AQJIQXUTLWFNNA-UHFFFAOYSA-N 195.270 1.077 10 10 ADCE CO[C@@H](C)CN1CC(N=[N+]=[N-])C1 1912146563 SKOPIZFDLFJFGG-LURJTMIESA-N 170.216 1.016 10 10 ADCE CC[S@](=O)N1CC[C@H](N=[N+]=[N-])C1 1912172903 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[N-]=[N+]=NC[C@@H]1CC2(CC2)CO1 536956722 AZSYCVRZTKOEES-LURJTMIESA-N 153.185 1.866 10 10 ADCE CN(CCCN=[N+]=[N-])CC1CN(C)C1 709532651 BXZUBQXKIIYDDR-UHFFFAOYSA-N 197.286 1.180 10 10 ADCE N=[N+]=C(C(F)(F)F)C(F)(F)F 725437290 RMPFYZFNAXXDCU-UHFFFAOYSA-N 179.043 1.791 10 10 ADCE O=C1COCC2(CCCCC2)C1=O 1882969701 SQZHJBCGRIYMCU-UHFFFAOYSA-N 182.219 1.105 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H]2CC1=O 1912196180 JNFTVIZFKGAJQV-RQJHMYQMSA-N 180.211 1.165 10 10 ADCE CCCCC[C@](C)(O)C(=O)C(C)=O 1929124340 MHANUZKKIXIWRC-JTQLQIEISA-N 186.251 1.476 10 10 ADCE C[C@]1(CO)C[C@H]1c1cccc(O)c1O 1951969375 QIDNXILKQYDLHL-GZMMTYOYSA-N 194.230 1.584 10 10 ADCE C[C@@H](c1ccc(O)c(O)c1)C1CNC1 1952607157 IIVMQSZZGPSQNQ-ZETCQYMHSA-N 193.246 1.421 10 10 ADCE CN1CCc2cc(C=CCO)ccc21 2042434012 GPNYLMLRBOSQQR-UHFFFAOYSA-N 189.258 1.684 10 10 ADCE CCOc1c(C(C)=O)ccc(O)c1O 2054917907 ZPEIHAJCBAIIJQ-UHFFFAOYSA-N 196.202 1.699 10 10 ADCE CC1(C)CN(C(=O)NCCN=[N+]=[N-])C1 2241335820 URJWOUBNXQPGSC-UHFFFAOYSA-N 197.242 1.348 10 10 ADCE [N-]=[N+]=NC[C@H]1CCN(C[C@H]2C[C@H]2F)C1 2297195300 VAMUNYHDAYGVGW-IWSPIJDZSA-N 198.245 1.977 10 10 ADCE Oc1cc(O)c2c(O)cccc2c1O 62719991 CIRRKSABQLGNFG-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE Cn1ccc(Nc2ccc(N)cc2)n1 86778938 WQJBVVANTGRNBN-UHFFFAOYSA-N 188.234 1.746 10 10 ADCE Nc1ccccc1N[C@H]1CCOC1 87783309 MENVFVMSUBNEOI-QMMMGPOBSA-N 178.235 1.470 10 10 ADCE CC[C@](C)(N)c1ccc(O)c(O)c1 95759498 UTXCHNSVRGGBAZ-JTQLQIEISA-N 181.235 1.682 10 10 ADCE CN[C@H](C)c1cc(C(=O)O)ccc1O 104520107 ZGLTZOXPRIYLIM-ZCFIWIBFSA-N 195.218 1.371 10 10 ADCE CCO/C(C)=C1/C(=O)N(C)N=C1C 210179731 FTASTZXJZZISHS-BQYQJAHWSA-N 182.223 1.145 10 10 ADCE Nc1ccc(Nc2cnco2)nc1 211386804 QOGFJMLCXXUEOB-UHFFFAOYSA-N 176.179 1.395 10 10 ADCE [N-]=[N+]=NCc1nnc2n1CCCC2 217320777 SIGXTXDUNFNGTO-UHFFFAOYSA-N 178.199 1.425 10 10 ADCE COC(=O)c1cc(F)cc(O)c1O 231405335 VIVYMMQRMMLFDP-UHFFFAOYSA-N 186.138 1.024 10 10 ADCE CC(=O)O[C@H]1C=C[C@@H](N=[N+]=[N-])OC1 238067744 AKZMXUVFHIGVNI-BQBZGAKWSA-N 183.167 1.141 10 10 ADCE 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C[C@@H]1OCC[C@H]1[C@H](CO)N=[N+]=[N-] 1535811133 QGOHVENBEIASIU-XVMARJQXSA-N 171.200 1.083 10 10 ADCE Cn1cccc1[C@H](CO)N=[N+]=[N-] 1535845795 GANLMZYTVKHVEO-LURJTMIESA-N 166.184 1.369 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccncc1F 1535853029 STMFAWYTVAOMJL-SSDOTTSWSA-N 182.158 1.564 10 10 ADCE C[C@H](O)[C@@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912185484 QGVWYZIDEYRBLO-GJMOJQLCSA-N 184.243 1.140 10 10 ADCE CC[C@H]1C[C@]1(N)c1ccc(O)cc1O 1951729505 PXBCORMQTIODAZ-WRWORJQWSA-N 193.246 1.682 10 10 ADCE C[C@@H]1C[C@@H]1N(C)CCN=[N+]=[N-] 1953333073 TUBUHXKBUFKLPM-RQJHMYQMSA-N 154.217 1.637 10 10 ADCE C[C@H](N)C=Cc1ccc(O)c(O)c1 2054611364 PJPADANVRHANQF-ZETCQYMHSA-N 179.219 1.458 10 10 ADCE Nc1ccc(O)c(O)c1OC(F)F 2055200031 YJXKPTVFMGTQPB-UHFFFAOYSA-N 191.133 1.281 10 10 ADCE CNCc1sccc1O 2208917909 MXCVXSKGVLYJLM-UHFFFAOYSA-N 143.211 1.173 10 10 ADCE CC(C)OC(=O)NCCN=[N+]=[N-] 44241370 VBQZIVJZJASQOB-UHFFFAOYSA-N 172.188 1.431 10 10 ADCE Cc1cc(N)cc(CN(C)C)c1O 82872843 ZIZIOKCWHVCTJQ-UHFFFAOYSA-N 180.251 1.344 10 10 ADCE Cc1ccccc1C(=O)C=[N+]=[N-] 84427394 LOZHVMUOSJFWRE-UHFFFAOYSA-N 160.176 1.478 10 10 ADCE CCCC[C@@H](N=[N+]=[N-])C(N)=O 138767782 ZTLODIYMRRKORX-RXMQYKEDSA-N 156.189 1.341 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H](C[N+](=O)[O-])C1 196734418 RMNYKGLFELZXJE-NTSWFWBYSA-N 168.156 1.518 10 10 ADCE O=C1CC(=O)c2cc(F)ccc21 205104239 OTNMXNJAYRIKQO-UHFFFAOYSA-N 164.135 1.595 10 10 ADCE CO[C@H](C)Cc1ccc(N)cc1 205342557 PVDOMBLJGADUEP-MRVPVSSYSA-N 165.236 1.846 10 10 ADCE C[C@H](N)c1ccc(F)c(O)c1O 211982612 OEDKDDJLVLOQPI-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE C[C@@H]1OC=C[C@](C)(O)[C@H]1N=[N+]=[N-] 213024957 JXTJQBXFKXERDL-ACZMJKKPSA-N 169.184 1.349 10 10 ADCE CC(=O)C(=O)[C@@H](C)c1ccccc1 238414936 FRKWJCQTKDGQES-QMMMGPOBSA-N 176.215 1.948 10 10 ADCE C[C@H](O)[C@@H](N)c1cccc(S)c1O 238467169 LIVCFNNLIDGWJX-YLWLKBPMSA-N 199.275 1.062 10 10 ADCE Nc1sc2cccc(CO)c2c1O 306953049 DEFPNTGSHYQVCL-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE COC(=O)/C=C\[C@H](N=[N+]=[N-])[C@@H](C)CO 308370772 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Cc1cccc(O)c1CNC1CC1 1954505258 CZWHZGMDDIDXBX-UHFFFAOYSA-N 177.247 1.953 10 10 ADCE C[C@H]1C[C@@H](Oc2ccc(N)cc2)CO1 1956932431 UCYPHLXFBXKBLR-GZMMTYOYSA-N 193.246 1.825 10 10 ADCE CC(C)(O)C[C@H](N)c1ccccc1O 84357609 HUVWHKVRQISBTN-VIFPVBQESA-N 195.262 1.553 10 10 ADCE Cc1ccc(O)c([C@@H](N)C(=O)O)c1C 108304580 SYRVQLJXMSXMTK-SECBINFHSA-N 195.218 1.093 10 10 ADCE Cc1cc(O)c(O)c(N)c1C 211895441 JAYQMLYQMOQOJZ-UHFFFAOYSA-N 153.181 1.297 10 10 ADCE CC(=O)[C@]1(N=[N+]=[N-])CCCCC1=O 238103845 ANNGLPNABPKCIU-MRVPVSSYSA-N 181.195 1.768 10 10 ADCE CN(C)CCc1cccc(O)c1O 238315506 JKQLFDRJONJYLG-UHFFFAOYSA-N 181.235 1.202 10 10 ADCE Cc1cc(C)c([C@](C)(N)CO)c(O)c1 238547436 KCSPWYONKMOTFN-LLVKDONJSA-N 195.262 1.175 10 10 ADCE N[C@@H](c1cccc(F)c1O)C(F)F 238642145 QHSNDPKLFMCFBI-LURJTMIESA-N 191.152 1.796 10 10 ADCE COc1cc(O)c(C(C)(C)N)cc1C 257989296 FIXDNPPBRYORQL-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE COC1=C/C(=C(\O)N=N)NC=C1 306244081 PCCYNSQTJCMPSD-OAFDFZECSA-N 167.168 1.392 10 10 ADCE [N-]=[N+]=NCc1nc(C(=O)O)co1 306726151 LUAIJVGOLFZBKK-UHFFFAOYSA-N 168.112 1.183 10 10 ADCE C/C=C/[C@@H]1C(=O)C(=O)C[C@@H]1C 307351889 AWSDUMLIHBOEBW-FWDZIHJBSA-N 152.193 1.357 10 10 ADCE Nc1ccc(CCOC2CC2)cc1 713297829 RXSXNFXDXREIEQ-UHFFFAOYSA-N 177.247 1.990 10 10 ADCE CC[C@H]1COC[C@H](CN=[N+]=[N-])O1 958691831 JJQSQYZYLJFLPI-BQBZGAKWSA-N 171.200 1.491 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](O)[C@@H]1C1CC1 1887032410 NCPRWOFMAWKDPA-BDAKNGLRSA-N 196.254 1.142 10 10 ADCE CCN(CCN=[N+]=[N-])CCC(=O)O 1887716820 CGXXCAWENKXKIS-UHFFFAOYSA-N 186.215 1.093 10 10 ADCE COC[C@@H]1C[C@H]1CN(C)CCN=[N+]=[N-] 1888107545 ZCSHWKAAQDTTAY-IUCAKERBSA-N 198.270 1.511 10 10 ADCE C[C@H](Nc1c(N)cccc1F)[C@@H](C)N 1888913208 ZGJNJXYLQDGOJG-RQJHMYQMSA-N 197.257 1.556 10 10 ADCE CC=CC(=O)Nc1ccc(N)cc1 1911541503 CYOPGRYXWQHJKJ-UHFFFAOYSA-N 176.219 1.783 10 10 ADCE NCC=Cc1c(F)ccc(O)c1O 1911650581 GTZXKXBPXUWEIG-UHFFFAOYSA-N 183.182 1.209 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)CCC2CC2)C1 1912182373 AWFLCKMIKHDDPR-UHFFFAOYSA-N 194.238 1.698 10 10 ADCE N[C@@H](c1cc[nH]n1)c1ccccc1O 1933377970 LYWDEVBQLHQAFF-SNVBAGLBSA-N 189.218 1.163 10 10 ADCE CC1(N)CN(CCCCN=[N+]=[N-])C1 1954208795 SXGWKYAOLSFNDV-UHFFFAOYSA-N 183.259 1.110 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@H]21 1955369117 APEYEGCKSAEIPC-YWIQKCBGSA-N 192.222 1.164 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@@H]2CC[C@@H]21 1956946768 DERWYKTXOYMNMU-YWVKMMECSA-N 196.246 1.086 10 10 ADCE COc1ccc(N2CC(C)(O)C2)cc1 2209626944 IRXOGMYWRSFPIW-UHFFFAOYSA-N 193.246 1.266 10 10 ADCE C[C@@H]1CCCN1CCN=[N+]=[N-] 42415691 MXIBSDKYKVGIDW-SSDOTTSWSA-N 154.217 1.781 10 10 ADCE CCCCN(CCO)CCN=[N+]=[N-] 42494670 ZAJIPQHXXVKSBR-UHFFFAOYSA-N 186.259 1.391 10 10 ADCE C[C@@H]1C[C@@H]1NCCc1ccc(N)cc1 52294218 ZQSCNRSXBKWTBA-SKDRFNHKSA-N 190.290 1.809 10 10 ADCE CC[C@H]1CS[C@@H](CN=[N+]=[N-])N1 87605650 VYXVWBSYUZYCHH-WDSKDSINSA-N 172.257 1.738 10 10 ADCE Oc1ccc2cc(O)c(O)cc2c1 139983369 MKTNPKQGOBDAPX-UHFFFAOYSA-N 176.171 1.957 10 10 ADCE C=C=C(C)N=[N+]=[N-] 238208744 MBFXVUFTWZSSNW-UHFFFAOYSA-N 95.105 1.985 10 10 ADCE [N-]=[N+]=N[C@H](O)C1CCCC1 238696997 BLLVMFWIENKOJH-ZCFIWIBFSA-N 141.174 1.805 10 10 ADCE C[C@@H](c1cc(CN)ccc1O)N(C)C 257811597 BHSVDUCLIFDPGY-QMMMGPOBSA-N 194.278 1.474 10 10 ADCE Oc1ccccc1C12CC(CCN1)C2 257928367 JUYXUSLUODNXIR-UHFFFAOYSA-N 189.258 1.991 10 10 ADCE Cc1ccc([C@H](C)CO)c(O)c1O 258006226 HAOKUWOIRYBZBX-SSDOTTSWSA-N 182.219 1.502 10 10 ADCE CSc1cccc(O)c1CNO 258008993 HHGNLXNNDSFLBC-UHFFFAOYSA-N 185.248 1.593 10 10 ADCE CCC[C@H](CO)Nc1ccccc1N 308605215 WGKVQRGLYUSAIB-SECBINFHSA-N 194.278 1.842 10 10 ADCE CC[C@H]1C[C@@H](N(C)CCN=[N+]=[N-])CO1 711142936 ABVUCEQGJUARQV-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE C[C@]1(C(F)F)CN[C@@H](CN=[N+]=[N-])O1 885590014 JHYXYDCQPUKNHX-INEUFUBQSA-N 192.169 1.266 10 10 ADCE CCN[C@H](C)CN=[N+]=[N-] 1879992142 ZULZITLDUBLHLK-RXMQYKEDSA-N 128.179 1.295 10 10 ADCE CO[C@@H]1C[C@H]2[C@H]1CCN2CCN=[N+]=[N-] 1885118635 UTSUJIYNXBTRNE-HRDYMLBCSA-N 196.254 1.406 10 10 ADCE CN[C@@H](c1ccccc1O)C(C)(C)O 1929437961 IEZXSQCLIPRKPQ-JTQLQIEISA-N 195.262 1.424 10 10 ADCE CC(=O)C(=O)C[C@@H]1C=CCC1 1951342835 TVWRFGGSHOLBDZ-MRVPVSSYSA-N 152.193 1.501 10 10 ADCE CO[C@@H](C(=O)C(C)=O)c1ccccc1 1951516179 JIAQTJYSSKFCGH-LLVKDONJSA-N 192.214 1.532 10 10 ADCE CCCNC[C@@H](C)CN=[N+]=[N-] 1953294420 AMTYUQRMSCHINO-SSDOTTSWSA-N 156.233 1.932 10 10 ADCE C[C@H]1C[C@H](C)N(CCN=[N+]=[N-])CCN1 1957251204 ZCGOSXZTFKLQOA-IUCAKERBSA-N 197.286 1.369 10 10 ADCE C[C@H]1CC[C@@H]1C(=O)NCCN=[N+]=[N-] 2209287573 JHPRWDMCTUJOTC-BQBZGAKWSA-N 182.227 1.459 10 10 ADCE CC[C@H](COC)N1CC[C@@H](N=[N+]=[N-])C1 2210054701 MJUUUUVIJQRXPR-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE Nc1ccc(NCc2cc[nH]n2)cc1 41014276 ONJWNNKHIZVILR-UHFFFAOYSA-N 188.234 1.604 10 10 ADCE CN(C)c1ccc([N+](=O)[O-])c(CN)c1 59463005 RRULQEPDUDIFSB-UHFFFAOYSA-N 195.222 1.120 10 10 ADCE [N-]=[N+]=CC(=O)C1CCCC1 84426111 JIKJFTKBSHZTMS-UHFFFAOYSA-N 138.170 1.046 10 10 ADCE CC(=O)CC[C@@H](CN=[N+]=[N-])OC(C)=O 213471878 QWGXKTFCUHEBGK-QMMMGPOBSA-N 199.210 1.598 10 10 ADCE CNCCc1cnc2ccn(C)c2c1 214573106 QDRSVTLXBWAXMU-UHFFFAOYSA-N 189.262 1.335 10 10 ADCE CC(=O)O[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H]1F 238064570 CRSXLTWPCXRIMY-QYNIQEEDSA-N 187.174 1.729 10 10 ADCE CC[C@@H](C)C(=O)C(=O)CCOC 238258725 NXIZSAQQSCTKQU-SSDOTTSWSA-N 172.224 1.207 10 10 ADCE Cc1cccc([C@@](C)(N)CCO)c1O 238544911 LFFDYKFMPDPRSY-NSHDSACASA-N 195.262 1.257 10 10 ADCE Cc1cc(C[C@@H](C)N)c(F)c(O)c1O 258168601 PWKMSMPEHKKFRT-ZCFIWIBFSA-N 199.225 1.435 10 10 ADCE Nc1ccc(O[C@@H]2CC[C@@H]3O[C@H]32)cc1 306326675 XCCZMGSAOBRDKQ-VWYCJHECSA-N 191.230 1.577 10 10 ADCE CC(F)(F)C(=O)NCCCN=[N+]=[N-] 328147775 CQIDPYNMWXUHTK-UHFFFAOYSA-N 192.169 1.458 10 10 ADCE C[C@H]1N[C@H](CN=[N+]=[N-])OC1(C)C 885319175 PDTWCTQHCKSIGS-RITPCOANSA-N 170.216 1.410 10 10 ADCE C[C@@H]1C[C@H]1C(=O)N(C)CCN=[N+]=[N-] 1883866843 MOXGHCYNKLLNKP-RNFRBKRXSA-N 182.227 1.411 10 10 ADCE Cc1cccc(N)c1N[C@@H](C)CCN 1888898773 SDGQAUSJZUWRJC-VIFPVBQESA-N 193.294 1.726 10 10 ADCE Cc1cccc(CNC[C@@H](C)N)c1O 1904107455 DFIMZADIOBGHLR-SECBINFHSA-N 194.278 1.137 10 10 ADCE CN[C@H](C)c1c(O)cccc1F 34666358 WXRJPPKPAJJEDZ-ZCFIWIBFSA-N 169.199 1.812 10 10 ADCE Oc1cccc(CNC2CCC2)c1O 52208772 FQUOWLOGEIQEIW-UHFFFAOYSA-N 193.246 1.740 10 10 ADCE CC[C@@H](N)c1cc(OC)ccc1O 71455048 NBBHZBBXSIIXGL-SECBINFHSA-N 181.235 1.811 10 10 ADCE [N-]=[N+]=N[C@H](CCO)c1cccnc1 75450732 NSMSIFADEIKKHR-MRVPVSSYSA-N 178.195 1.815 10 10 ADCE N[C@@H](c1cc(O)ccc1O)C1CC1 95659857 YNYWGMPBGLXMQP-SNVBAGLBSA-N 179.219 1.508 10 10 ADCE [N-]=[N+]=CC(=O)c1cc(Cl)ccc1F 106876361 FCRQGTYYRIVFMA-UHFFFAOYSA-N 198.584 1.962 10 10 ADCE C[C@H](CCO)Nc1ccc(N)cc1 132299738 XALGWNCZABDGGS-MRVPVSSYSA-N 180.251 1.452 10 10 ADCE CO[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O1 141955027 ZKDPFYAFKQRQBS-KVQBGUIXSA-N 198.186 1.737 10 10 ADCE CC[N+](C)(C)Cc1ccccc1O 196605279 GJPUUIUWMSDQCC-UHFFFAOYSA-O 180.271 1.989 10 10 ADCE NCc1ccc(N2CC3CC2C3)cc1 213356032 NCEYTADATUUIGS-UHFFFAOYSA-N 188.274 1.744 10 10 ADCE CN1c2ccc(CN)cc2CC1(C)C 238305976 ASBARIUXEYLURY-UHFFFAOYSA-N 190.290 1.916 10 10 ADCE N#CN[C@H]1CCCC[C@H]1N=[N+]=[N-] 238554616 YAYJTLNSMFSMJR-NKWVEPMBSA-N 165.200 1.679 10 10 ADCE C[C@@H](N)c1cc2c(c(F)c1O)OCO2 258257567 YFFUHVFWEOMSKP-SCSAIBSYSA-N 199.181 1.280 10 10 ADCE CN1C[C@H]2C[C@H](N=[N+]=[N-])C[C@H]2C1 306227149 WHORWLORTLIMOT-JIGDXULJSA-N 166.228 1.637 10 10 ADCE [N-]=[N+]=N[C@H]1c2ccccc2OC[C@H]1O 306423594 GVZIVUKIDQYGLV-APPZFPTMSA-N 191.190 1.791 10 10 ADCE C[C@@H]1OC(=O)N[C@@H]1c1ccccc1O 306608669 JLROTEYXFLEWLY-RCOVLWMOSA-N 193.202 1.562 10 10 ADCE C[C@H]1C[C@@H](C)OC(=O)/C1=C\O 382639313 UCHNQCZZNJNGLD-CFDJTYOJSA-N 156.181 1.400 10 10 ADCE CCc1cccc([C@@H](N)CCN)c1O 396431861 ULJXKUXPAFUODD-JTQLQIEISA-N 194.278 1.303 10 10 ADCE [N-]=[N+]=NC[C@H]1OC(=O)CC12CCC2 675053749 QNFPKBAWXBTATK-ZCFIWIBFSA-N 181.195 1.783 10 10 ADCE [N-]=[N+]=NCCCN1CC2CC1(CO)C2 694572065 HOMSVAXQKNHZMU-UHFFFAOYSA-N 196.254 1.144 10 10 ADCE N[C@H]1COc2cc(F)c(F)c(O)c21 713785214 SDBCBENXXXNEJB-BYPYZUCNSA-N 187.145 1.063 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2OCC[C@H]2C1 724814951 XGZQHIHBCYZCHR-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE CC(C)(C)OC[C@H](CO)N=[N+]=[N-] 1535787203 CQYJNVGDQSOJIV-LURJTMIESA-N 173.216 1.473 10 10 ADCE CNC[C@@H](C)Oc1ccc(N)cc1 1883786447 LTTUYMABXKRYHL-MRVPVSSYSA-N 180.251 1.256 10 10 ADCE CCC(=CCN=[N+]=[N-])C(=O)O 1912201835 ZRAANGZBKSRYGZ-UHFFFAOYSA-N 155.157 1.718 10 10 ADCE CO[C@H](C)[C@@](C)(N)c1ccccc1O 1928465908 AGSPZPVXODLSPL-LDYMZIIASA-N 195.262 1.601 10 10 ADCE N[C@H](c1cnc[nH]1)c1ccccc1O 1929919230 DCCHAUPVHHDKFL-JTQLQIEISA-N 189.218 1.163 10 10 ADCE C[C@@H]1C[C@@H](CO)CCN1CCN=[N+]=[N-] 1956957216 KYVPMOBXPURARU-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE CCC(=O)C(=O)c1ccc[nH]1 84426619 ZDKBHXDTEPDOGI-UHFFFAOYSA-N 151.165 1.177 10 10 ADCE COc1ccc(F)cc1C(=O)C=[N+]=[N-] 84454530 UTTPDPAFPRVOQE-UHFFFAOYSA-N 194.165 1.318 10 10 ADCE CCC(=S)c1[nH]c(=O)[nH]c1CC 149229404 NZNUTLBRNMJJNJ-UHFFFAOYSA-N 184.264 1.393 10 10 ADCE CCc1cc(CNC)c(O)cc1OC 214811869 PCHHGBWWTONLPE-UHFFFAOYSA-N 195.262 1.683 10 10 ADCE [N-]=[N+]=N[C@@H](c1cccs1)[C@@H](O)CO 218644619 JTDMMWFDLRADBF-CAHLUQPWSA-N 199.235 1.453 10 10 ADCE CC(=O)C(=O)c1ccnc(Cl)c1 238046229 HOTKBRACZHXVNX-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE COC(C)(OC)[C@H](C)N=[N+]=[N-] 238332026 BDBIMHZHZITENS-YFKPBYRVSA-N 159.189 1.694 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@@H]2COC(=O)N2C1 238592930 FEVJJOJFEJLIJJ-NTSWFWBYSA-N 182.183 1.280 10 10 ADCE Oc1c([C@@H]2CCN2)ccc(F)c1F 238722289 LQONFIHXFXRMMD-ZETCQYMHSA-N 185.173 1.705 10 10 ADCE Oc1ccc(O)c([C@@H]2CCCN2)c1 238728156 WXNTXIVUHNSXSK-VIFPVBQESA-N 179.219 1.522 10 10 ADCE O=Cc1c(O)c(O)cc(O)c1Cl 257823738 GQKOGTWXRQXKAK-UHFFFAOYSA-N 188.566 1.269 10 10 ADCE O=C1C(=O)[C@H]2C[C@@H]3CC[C@H]2C[C@H]13 307491514 PRJNHIRIWJIIDX-XAMCCFCMSA-N 164.204 1.191 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCOC1 398948955 QVPYBZJTRVQHCP-QMMMGPOBSA-N 184.243 1.265 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])[C@@H](C)CO1 403745194 AFGWESZDUKIDEI-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC[C@@H]1COC[C@@H]1N(C)CCN=[N+]=[N-] 688213917 NQISAMVRWRQDJO-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE COc1cncc(CN=[N+]=[N-])c1 1535714069 OYEULXUYWAVAJT-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@@H]2N)cc1 1883134170 METGOGJCEACTQX-VHSXEESVSA-N 177.251 1.170 10 10 ADCE [N-]=[N+]=NCCN1CCC2CC1(CO)C2 1887084666 UJNKVUGTMFREIT-UHFFFAOYSA-N 196.254 1.144 10 10 ADCE C[C@@H](N1CC[C@H](N=[N+]=[N-])C1)C(C)(C)O 1893646214 CZUSIDFFRSARBX-SFYZADRCSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1cnsc1 1912174958 GVCHJIBCMRZUNB-RXMQYKEDSA-N 170.197 1.487 10 10 ADCE CC(=O)C(=O)c1cccc2[nH]ccc12 1951481041 ILQRORAMCCBGOG-UHFFFAOYSA-N 187.198 1.940 10 10 ADCE CC(=O)[C@H](N)c1cc(C)c(C)cc1O 1952931012 JZWZGZWPCOADCQ-NSHDSACASA-N 193.246 1.598 10 10 ADCE CCC(=O)NCC1(CN=[N+]=[N-])CC1 1954202616 VYFHHVQUKPDHJI-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@@H](N)C1 1954207183 RQGRYBTUFDQPOC-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE CN[C@H]1CC[C@@H](N=[N+]=[N-])CC1 2080984564 OPTRLPMNWVCOSM-KNVOCYPGSA-N 154.217 1.827 10 10 ADCE Oc1cc2ccccc2c(O)c1O 14612262 NCIAGQNZQHYKGR-UHFFFAOYSA-N 176.171 1.957 10 10 ADCE CC[C@@H]1CS[C@@H](CN=[N+]=[N-])N1 87605649 VYXVWBSYUZYCHH-RITPCOANSA-N 172.257 1.738 10 10 ADCE C[C@H](Cc1cccc(O)c1O)[N+](=O)[O-] 104375473 AWHJVNXGKNBMCU-ZCFIWIBFSA-N 197.190 1.306 10 10 ADCE CNCc1cc2c(cc1O)O[C@@H](C)C2 107356760 UALYNULYQSOAEM-ZETCQYMHSA-N 193.246 1.435 10 10 ADCE CN1C(=O)OC[C@@H]1c1ccccc1O 108373323 PNQXUCGJLJJIRD-MRVPVSSYSA-N 193.202 1.515 10 10 ADCE CC[C@](C)(O)CN=[N+]=[N-] 159662014 SBXVRBBPPKNPCB-YFKPBYRVSA-N 129.163 1.458 10 10 ADCE C[C@@H]1NCc2c(O)cccc21 219202217 XVJUZMYOMXKTOK-LURJTMIESA-N 149.193 1.556 10 10 ADCE [N-]=[N+]=NCCOC[C@@H]1CCCCO1 238590661 NRCOFVWAFCBQMP-QMMMGPOBSA-N 185.227 1.882 10 10 ADCE [N-]=[N+]=NCCOC(=O)CN=[N+]=[N-] 238637979 UXUHUUUVGQVDIR-UHFFFAOYSA-N 170.132 1.150 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H](N=[N+]=[N-])[C@H](O)C1 238681869 WNPFKYCANDRCSD-VAYJURFESA-N 168.160 1.499 10 10 ADCE Nc1cc(-c2ccc(O)c(O)c2)on1 258171171 VWRRXOIMNMHLLI-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE CC1(C)[C@H]2CN(CCN=[N+]=[N-])C[C@H]21 306666268 VAXOQGLSGZKINZ-OCAPTIKFSA-N 180.255 1.885 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H](CO)CC1 382096865 FBOQYKGIUNGXDM-SECBINFHSA-N 198.270 1.391 10 10 ADCE COC(=O)/C(=C\c1ccc[nH]1)N=[N+]=[N-] 383698303 HHWLAVOZMGXDTH-FNORWQNLSA-N 192.178 1.839 10 10 ADCE [N-]=[N+]=NCCCN(CCCO)C1CC1 404318314 HHKJUGISNXVATB-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE CNN[C@@H](C)c1cc(F)ccc1O 704700921 HIAUBTXAGGXEAU-LURJTMIESA-N 184.214 1.316 10 10 ADCE C[C@@H](F)CN(C)CCCN=[N+]=[N-] 1880602398 MNIPVRSJKXODCO-SSDOTTSWSA-N 174.223 1.977 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@H]1CF 1883123246 ANNHSYSQJRJNNJ-WDSKDSINSA-N 186.190 1.019 10 10 ADCE Nc1ccc(NC[C@@H]2C[C@@H]2N)cc1 1883132904 JMPSSCMMGSEZOH-XVKPBYJWSA-N 177.251 1.028 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@H](O)C2)cc1 1885026571 RBOOCBAUZNPGIU-MNOVXSKESA-N 192.262 1.594 10 10 ADCE C[C@H](Oc1ccc(N)cc1)[C@H]1C[C@@H]1N 1896322284 XYMAVHWRHOKMON-XROYCOCOSA-N 192.262 1.383 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@H]2CCSC2)C1 1912166528 YNQFCNKQDBIGEP-SFYZADRCSA-N 198.295 1.877 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@H]2CCNC[C@H]21 1912182711 FUAGMZGHZGRURB-RRKCRQDMSA-N 152.201 1.152 10 10 ADCE C[C@@H](N)[C@@H](N=[N+]=[N-])c1cccnc1 1954081332 MWLYVUCURCVAPI-HTRCEHHLSA-N 177.211 1.780 10 10 ADCE C[C@@H](O)[C@H](O)c1ccc(N(C)C)cc1 1955943844 TZHQDRSLYGFHLW-KCJUWKMLSA-N 195.262 1.167 10 10 ADCE CC[C@@H](NN)c1ccc(C)cc1O 2080456073 WCZMCUQZRWFNIX-SECBINFHSA-N 180.251 1.615 10 10 ADCE C[C@@H]1CC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 2209770493 ZCOAEKHINHJRSM-HTRCEHHLSA-N 194.238 1.554 10 10 ADCE [N-]=[N+]=NC1CN(CC[C@@H]2CCO2)C1 2242533877 HGXZGLWODAXMID-MRVPVSSYSA-N 182.227 1.160 10 10 ADCE Cn1ccc2c(CCN)c(F)ccc21 75120271 SKVGSQBEDJYAIC-UHFFFAOYSA-N 192.237 1.819 10 10 ADCE Cc1cccc2c1CC(=O)C2=O 116403186 CGBWEXSVCNOPCK-UHFFFAOYSA-N 160.172 1.303 10 10 ADCE Cc1ccc(O)c(CNN(C)C)c1 134104881 UTSAJIFITRGXDZ-UHFFFAOYSA-N 180.251 1.267 10 10 ADCE CC(=O)O[C@@H]1CCC[C@H]1N=[N+]=[N-] 205490672 GFVZBYQQTGIDPH-RNFRBKRXSA-N 169.184 1.781 10 10 ADCE O=C1N[C@@H](C2CC2)c2c(O)cccc21 221377256 RTGKQYVXDYQWPZ-JTQLQIEISA-N 189.214 1.587 10 10 ADCE CCc1ccc(O)c2c1CC[C@@H]2N 238284021 RKRDVGUOIQCDKN-VIFPVBQESA-N 177.247 1.901 10 10 ADCE CN(CN=[N+]=[N-])CN=[N+]=[N-] 238326333 JJWDFMFHMYHIJM-UHFFFAOYSA-N 141.138 1.454 10 10 ADCE CN[C@@H](CO)c1cc(F)c(C)cc1O 238361926 DIKMLFAEUDIQNB-VIFPVBQESA-N 199.225 1.093 10 10 ADCE NCC1(c2ccc(O)c(O)c2F)CC1 258198756 YCGALHIZPQAILC-UHFFFAOYSA-N 197.209 1.227 10 10 ADCE CC[C@H]1C[C@H](N(C)CCN=[N+]=[N-])CO1 711142939 ABVUCEQGJUARQV-IUCAKERBSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H](N)C12CCOCC2 718981970 ZBAIIDIUCNWZJU-RNFRBKRXSA-N 182.227 1.193 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc(O)cc1O 1535736747 KYMIIOSFLOHTQV-SSDOTTSWSA-N 195.178 1.442 10 10 ADCE COc1cccc(CN(C)O)c1O 1535812534 QHUVPGBQUMUKQW-UHFFFAOYSA-N 183.207 1.222 10 10 ADCE [N-]=[N+]=NC[C@]12CCOC[C@@H]1C2 1880408486 XABQEKHUEHOFRR-NKWVEPMBSA-N 153.185 1.723 10 10 ADCE CN(CCCCN=[N+]=[N-])C1(CO)CC1 1886366779 GKNHOWOCPSJDOM-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE CN(C)CCN1CCC(N=[N+]=[N-])CC1 1912176639 BPGLOUNFLWMGSC-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@H](C(F)(F)F)CO1 1912189683 XWEUWDIKOLOTFU-IUYQGCFVSA-N 196.132 1.174 10 10 ADCE Oc1cccc([C@H](O)C2CCC2)c1O 1951357501 IQTVGGBMJPTANG-SNVBAGLBSA-N 194.230 1.931 10 10 ADCE Cc1ccc(O)c([C@]2(C)CC(=O)N2)c1 1951858320 XRLQQBBTILKIHX-NSHDSACASA-N 191.230 1.436 10 10 ADCE CC1(C)C=CCN1CCN=[N+]=[N-] 1953643781 KALHOVSVTLAYIV-UHFFFAOYSA-N 166.228 1.947 10 10 ADCE CN(CCN=[N+]=[N-])c1cnn(C)c1 1954016074 MVLGBBZJEJANFW-UHFFFAOYSA-N 180.215 1.167 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1ccccc1N 1954081310 MPCAJKOPSSCRIE-QMMMGPOBSA-N 178.195 1.613 10 10 ADCE CC(=O)C(=O)[C@](C)(O)C1(C)CCC1 1954083465 QHJUIDINRUBLFO-JTQLQIEISA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1[C@H]2CCC[C@H]21 1956445557 GTYYOWNNXLAVBU-RNLVFQAGSA-N 194.238 1.459 10 10 ADCE CNC[C@H](C)N(C)CCCCN=[N+]=[N-] 1957242840 BJWQBWGKCLAQCM-VIFPVBQESA-N 199.302 1.617 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H]2NCC[C@H]21 1957243943 KASDCLXLEFRYIS-RKDXNWHRSA-N 195.270 1.123 10 10 ADCE CSc1scc[n+]1C 2529750 PULPUACQAOIMJY-UHFFFAOYSA-N 146.260 1.295 10 10 ADCE CCC[S@](=O)CCN=[N+]=[N-] 42416638 DMKGBDJWHVRRHH-SNVBAGLBSA-N 161.230 1.455 10 10 ADCE CCC1CN(c2ccc(CN)cc2)C1 86681713 GCUFPHPAQHQPEC-UHFFFAOYSA-N 190.290 1.992 10 10 ADCE Cc1cc(C)c([C@@H](N)[C@@H](C)O)c(O)c1 95770570 DAGDHUUQRRPKGT-KCJUWKMLSA-N 195.262 1.390 10 10 ADCE COC[C@@H](N)c1cc(OC)ccc1O 104490457 FEFPZUOSSXYYPB-SECBINFHSA-N 197.234 1.047 10 10 ADCE CC(=O)[C@H](N)c1cc(Cl)ccc1O 104492617 XBRXZRJVURPXED-VIFPVBQESA-N 199.637 1.634 10 10 ADCE O=C1c2ccccc2-c2ncc(O)cc21 116910920 SMEICBCXWKSRNL-UHFFFAOYSA-N 197.193 1.999 10 10 ADCE CCN(CC)C(=O)OCN=[N+]=[N-] 136350798 XJJKXJGOQVNMQR-UHFFFAOYSA-N 172.188 1.733 10 10 ADCE COc1cc(CN)ccc1N(C)C 163540061 WMUPAXQAZQASDN-UHFFFAOYSA-N 180.251 1.220 10 10 ADCE CC(=O)OCCC[C@H](O)CN=[N+]=[N-] 238145479 RACVBXDJRCUPNI-ZETCQYMHSA-N 187.199 1.001 10 10 ADCE N[C@@H](c1cccc(O)c1O)C(F)F 238642263 QOJAOCYARDONLT-LURJTMIESA-N 189.161 1.363 10 10 ADCE Cc1cc(/C=C/CN)c(O)c(O)c1C 258093509 ODMMFQCSWUMJKN-ONEGZZNKSA-N 193.246 1.687 10 10 ADCE C[C@@H](O)CN(CCCN=[N+]=[N-])C1CC1 692160768 SDNUPISMBYRZBK-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE Nc1ccc(CN2CC[C@H]3C[C@H]32)cc1 707081387 HLDVIWPUIZVZIV-CMPLNLGQSA-N 188.274 1.863 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H]2C1=O 715699053 ZSIPZQZTOYTODF-RNFRBKRXSA-N 180.211 1.165 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@@H](C2CCCC2)CO1 885814339 CMLOYKUAQLWDKS-RKDXNWHRSA-N 196.254 1.801 10 10 ADCE COCC(CN=[N+]=[N-])COC 1880473116 QUKKQZWYUNYUCN-UHFFFAOYSA-N 159.189 1.206 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H](C)CO 1887717097 GDCMWSXNSRWQRI-MRVPVSSYSA-N 186.259 1.247 10 10 ADCE CC1(C)CC[C@H](N)CN1CCN=[N+]=[N-] 1890225227 OTTTUEKAKVTEEZ-QMMMGPOBSA-N 197.286 1.498 10 10 ADCE C[C@@H]1C[C@H]1[C@@H](NN)c1ccccc1O 1897760726 DXRQJHQYQPJEPX-ZOFUNIGCSA-N 192.262 1.553 10 10 ADCE [N-]=[N+]=NCCCNC(=O)c1cnco1 1912192298 CYUHIHDXTOINSJ-UHFFFAOYSA-N 195.182 1.105 10 10 ADCE [N-]=[N+]=NCc1ncccc1O 1951387690 SQXKEXGBTRVWGN-UHFFFAOYSA-N 150.141 1.598 10 10 ADCE CNC(C)(C)c1c(O)cccc1O 1952388782 ZWTUGLBTUDRGET-UHFFFAOYSA-N 181.235 1.552 10 10 ADCE [N-]=[N+]=NC[C@@H]1NC2(CCC2)CO1 1953586141 JUSBJDZAWJWRBV-ZCFIWIBFSA-N 168.200 1.165 10 10 ADCE C[C@@]1(CN)CCN(CCCN=[N+]=[N-])C1 1957246739 GKZXOGVDSUNSEQ-VIFPVBQESA-N 197.286 1.358 10 10 ADCE [N-]=[N+]=NCCN1CCNCC12CCC2 1957247205 MTNJEBGJEARMEQ-UHFFFAOYSA-N 195.270 1.125 10 10 ADCE CN(C)/N=N/c1cccc(O)c1 5957212 GRXDZXVRCJTTOU-MDZDMXLPSA-N 165.196 1.953 10 10 ADCE CCOc1ccc(N(C)CCN)cc1 20239329 HLFVSYWNRLOSGL-UHFFFAOYSA-N 194.278 1.480 10 10 ADCE CC[C@](C)(NCCN=[N+]=[N-])C(=O)O 85223656 GUSRSDQSBQGHND-ZETCQYMHSA-N 186.215 1.140 10 10 ADCE Cc1cc(O)c([C@@H](C)N)s1 106071637 KIHBURQTEGQRNP-RXMQYKEDSA-N 157.238 1.782 10 10 ADCE Cc1c(F)ccc2c1CC(=O)C2=O 116403521 XWYOVMZTXFFJOZ-UHFFFAOYSA-N 178.162 1.442 10 10 ADCE O=C(O)C1=CC=CC(=S)C1=S 139904963 UJXHVZLSDYWEAW-UHFFFAOYSA-N 184.241 1.307 10 10 ADCE CC(C)(C)c1cc(O)c(O)c(CO)c1 168599476 RWMSTOWPWQDURC-UHFFFAOYSA-N 196.246 1.888 10 10 ADCE [N-]=[N+]=N[C@@H](C1CCCCC1)[C@H](O)CO 196531636 UDZQHFOSULRAIE-BDAKNGLRSA-N 199.254 1.599 10 10 ADCE O=C(O)Cc1sc2cc[nH]c2c1O 211501279 LRADHHBHOLFFAL-UHFFFAOYSA-N 197.215 1.562 10 10 ADCE C[C@@H](N)c1cc2c(cc1O)OCO2 212027136 CFTROUDLQATKIQ-RXMQYKEDSA-N 181.191 1.141 10 10 ADCE CC[C@@H](N)c1cc(CCN)ccc1O 238272573 VVEKPJBXHRJZIA-SNVBAGLBSA-N 194.278 1.303 10 10 ADCE [N-]=[N+]=NCOCCCCO 238661065 AHWGJINRQPTSMN-UHFFFAOYSA-N 145.162 1.043 10 10 ADCE Cc1c([C@H](C)CO)cc(O)c(O)c1C 258047599 KGHAROYDGJGOFF-ZCFIWIBFSA-N 196.246 1.810 10 10 ADCE COc1ccc([N+]2([O-])CC2)cc1 1614487893 CDCNKFPFSGFYOF-UHFFFAOYSA-N 165.192 1.514 10 10 ADCE CC(C)(O)[C@@H]1CCN1CCN=[N+]=[N-] 1883104420 GIGRNZNLUFIUDL-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE CC1(CC(=O)N2CC(N=[N+]=[N-])C2)CC1 1912201757 YUICKTWUFNMVNF-UHFFFAOYSA-N 194.238 1.698 10 10 ADCE CC[C@H](C=Cc1nccn1CC)CN 1931128544 LWCOPRGEHCWEPW-SNVBAGLBSA-N 193.294 1.901 10 10 ADCE Oc1cccc(F)c1[C@H]1NCC[C@H]1F 1952823658 NDWNIGVJPJZJLQ-XCBNKYQSSA-N 199.200 1.904 10 10 ADCE CC[C@](C)(N)c1ccc(O)cc1O 95758171 FFQVESMBQDDEAX-JTQLQIEISA-N 181.235 1.682 10 10 ADCE N#C/N=[N+](/[O-])c1ccccc1 95811466 IIYWDRMGBBSUQS-MDZDMXLPSA-N 147.137 1.762 10 10 ADCE CNCCc1cnc(SC)s1 213364445 SUGIMZRCDBRHHK-UHFFFAOYSA-N 188.321 1.627 10 10 ADCE C[C@]1(F)CNCc2c(O)cccc21 219586540 OYXBGXCWMHDJMK-JTQLQIEISA-N 181.210 1.680 10 10 ADCE CN1C(=O)C[C@@H]2[C@@H](N=[N+]=[N-])CCC[C@H]21 238300657 OMFFXUNHRZTZIY-GJMOJQLCSA-N 194.238 1.696 10 10 ADCE O=C1CC[C@H](c2cc(O)nc(O)c2)C1 238721660 WLOZNRCSTPQHGG-LURJTMIESA-N 193.202 1.329 10 10 ADCE C[C@@H](O)c1ccc(Cl)c(O)c1O 258047720 KIQVNFYKCQZNCZ-SCSAIBSYSA-N 188.610 1.805 10 10 ADCE CC[C@H](O)[C@@H](N)c1cc(C)ccc1O 306732348 RURSGRMOEJESPJ-ONGXEEELSA-N 195.262 1.471 10 10 ADCE C[C@@H](O)C[C@@H]1CCCN1CCN=[N+]=[N-] 379507840 NQVUSVRVAUQOPZ-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE COc1ccc(N=NC(=N)NO)cc1 383516682 ROBMGUUJNQZYEA-UHFFFAOYSA-N 194.194 1.692 10 10 ADCE CC(C)OC(=O)/C=C\O 387873925 KYDQBJPMTSDCGM-ARJAWSKDSA-N 130.143 1.010 10 10 ADCE C[C@H]1CC[C@@H](O)CN1CCCN=[N+]=[N-] 399423913 ONLMQTIPSAFJMC-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 675068473 ACYNMKKKJUISMJ-XUTVFYLZSA-N 166.228 1.670 10 10 ADCE Oc1ccccc1CN[C@H]1CC[C@@H]1O 704090414 XSSBOJVXYSBVHV-ONGXEEELSA-N 193.246 1.005 10 10 ADCE CC[C@@H]1C[C@@H](N(C)CCN=[N+]=[N-])CO1 711142942 ABVUCEQGJUARQV-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CN1CC[C@]2(CCO[C@@H]2CN=[N+]=[N-])C1 757208298 GHCZBPMYHSDHHV-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE CNC(C)(C)Cc1ccc(O)c(O)c1 1535867688 IHKVZNCQAPADOT-UHFFFAOYSA-N 195.262 1.638 10 10 ADCE [N-]=[N+]=NCc1ccc(O)c(O)c1 1535869663 WYNGTOBPBUNQEQ-UHFFFAOYSA-N 165.152 1.908 10 10 ADCE CC(C)[C@H](CN)CN=[N+]=[N-] 1912165992 RAPIMSAIVKJOIV-ZCFIWIBFSA-N 142.206 1.528 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@@H](O)C1 1912184676 GNDMVKLDVKZRHC-SECBINFHSA-N 198.270 1.534 10 10 ADCE COCC[C@@H](N)c1cc(F)ccc1O 1951605378 KEHWTKMHVYMHSP-SECBINFHSA-N 199.225 1.568 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2C[C@@]2(O)C1 1956821931 OKQIRLGMWZMHNP-DTWKUNHWSA-N 196.254 1.144 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1N 1957247399 PVLJYTKVJVCBBC-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE CO[C@@]12CC[C@H]1CN(CCN=[N+]=[N-])C2 2210006834 YGSWWBFVFXEZER-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE Cc1cccc2c1/C(=C\O)C(=O)N2 163796758 UALFVGAUFYTZSV-FNORWQNLSA-N 175.187 1.846 10 10 ADCE CCC[C@H](CN=[N+]=[N-])C(=O)O 238229078 HKVSZEXBFSTLER-RXMQYKEDSA-N 157.173 1.798 10 10 ADCE CC[C@H]1CNCc2c(O)cccc21 258323004 UMCWZTASPCKTNW-QMMMGPOBSA-N 177.247 1.989 10 10 ADCE Cc1csc([C@H](O)CN=[N+]=[N-])n1 702036357 UTNVRLKBOACGSJ-RXMQYKEDSA-N 184.224 1.795 10 10 ADCE CCCN1CCC(=O)[C@H]1CN=[N+]=[N-] 711976537 VFMDCQZOOOLPJY-SSDOTTSWSA-N 182.227 1.350 10 10 ADCE OCC(F)(F)c1cccc(O)c1O 1536155016 IAQOPSWYCSKIHI-UHFFFAOYSA-N 190.145 1.182 10 10 ADCE CCNC[C@@H](C)N=[N+]=[N-] 1879992104 ZIAMZVYPQQZIBK-RXMQYKEDSA-N 128.179 1.295 10 10 ADCE C[C@@]1(CN=[N+]=[N-])CSCCO1 1880495680 NOFJKHCQXBRZGI-ZCFIWIBFSA-N 173.241 1.819 10 10 ADCE Nc1ccc(N2C[C@@H]3COC[C@@H]32)cc1 1886759304 QNQXQPDTPDNHNS-KCJUWKMLSA-N 190.246 1.104 10 10 ADCE Oc1ccccc1CNC[C@@H]1C[C@H]1F 1887445272 TYIFNJVDWYMXRD-VHSXEESVSA-N 195.237 1.840 10 10 ADCE Oc1ccc(CN[C@@H]2C[C@@H]2F)c(O)c1 1887537147 NKUQZHYMHXWSJX-DTWKUNHWSA-N 197.209 1.298 10 10 ADCE Cc1cccc(N)c1N[C@@H]1CC[C@@H]1N 1888904578 CGYBYGNRZZGBMM-WCBMZHEXSA-N 191.278 1.479 10 10 ADCE CNC(=N)N[C@H](C)c1ccccc1O 1889482479 COCABPJZAPDGKJ-SSDOTTSWSA-N 193.250 1.197 10 10 ADCE [N-]=[N+]=NCCCCN1CCCOCC1 1912159489 ILEYOXILJJWXEC-UHFFFAOYSA-N 198.270 1.799 10 10 ADCE CC[C@@H]1C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912204242 VPXCUPNMORFNGO-SVRRBLITSA-N 194.238 1.554 10 10 ADCE COCCCN1CCC[C@H](N=[N+]=[N-])C1 1912207083 JENPVULIXCNBMI-VIFPVBQESA-N 198.270 1.798 10 10 ADCE OCC(F)=Cc1ccc(O)c(O)c1 1914116208 YUUPKYCYDSKZBE-UHFFFAOYSA-N 184.166 1.401 10 10 ADCE NC1CC(=Cc2cccc(O)c2O)C1 1951722022 GKAQPBHEYSWBLO-UHFFFAOYSA-N 191.230 1.602 10 10 ADCE [N-]=[N+]=NCC1(CNC(=O)C2CC2)CC1 1957231450 YZAHPUNHGLZPCI-UHFFFAOYSA-N 194.238 1.603 10 10 ADCE [N-]=[N+]=NCS(=O)(=O)c1ccccc1 38523754 HZNHEUZLNZSOEM-UHFFFAOYSA-N 197.219 1.728 10 10 ADCE CC[C@]1(OC)C=C[C@H](OC)O1 39343432 IAFCIPIBKATVRC-HTQZYQBOSA-N 158.197 1.298 10 10 ADCE CCc1ccc(O)c(CNOC)c1 75067773 JEMIMKBPJOMYBN-UHFFFAOYSA-N 181.235 1.606 10 10 ADCE CC[C@H](N)c1cc([N+](=O)[O-])ccc1O 95672182 XKNBEQHQFPAUMJ-QMMMGPOBSA-N 196.206 1.710 10 10 ADCE Cc1cc(C=O)c(O)c([C@H](C)N)c1 104153097 ADSSIWZVAJBXRN-ZETCQYMHSA-N 179.219 1.533 10 10 ADCE C[C@@H]1CC[C@@H](C)N1C[C@H](O)CN=[N+]=[N-] 206125536 IFSVXRQNWRSZBB-IWSPIJDZSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=N[C@H]1CCOC[C@H]1N=[N+]=[N-] 213947181 IVNKXZGNWDWYDV-CRCLSJGQSA-N 168.160 1.765 10 10 ADCE CN1C=CC=C/C1=C\N=N\C(N)=S 223511991 VLBQYFAOZUYCGW-MVQNEBOGSA-N 194.263 1.539 10 10 ADCE CC1(C)C[C@@H]2C[C@H]1C(=O)C2=O 238241966 DCJMEAGKLREDLY-WDSKDSINSA-N 152.193 1.191 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@@H]1OCC(N)=O 238548836 KXYSWKWQIPJJQI-RQJHMYQMSA-N 198.226 1.110 10 10 ADCE Cc1cc(O)c(O)cc1C[C@H](C)N 257828356 IJHQPTYVAIBCFC-ZETCQYMHSA-N 181.235 1.296 10 10 ADCE CONCc1c(O)cc(F)cc1F 258182002 WSFRKQSOBDVFEK-UHFFFAOYSA-N 189.161 1.321 10 10 ADCE [N-]=[N+]=NCC12CCN(CC1)C2 685947517 OWDFHGUKEMNERR-UHFFFAOYSA-N 152.201 1.393 10 10 ADCE C[C@]1(C(=O)O)C=C[C@@H]1N=[N+]=[N-] 687762950 LIDXMHUZBJDNDP-NJGYIYPDSA-N 153.141 1.326 10 10 ADCE CCC[C@@H](C)NC(=O)NCCN=[N+]=[N-] 704202423 ARUNNWPCUUBRJO-SSDOTTSWSA-N 199.258 1.785 10 10 ADCE COc1cc(CCN=[N+]=[N-])ccn1 1535659110 DGGQZRHCFWWXOE-UHFFFAOYSA-N 178.195 1.943 10 10 ADCE C[C@@H]1CNC[C@@H]1Oc1ccc(N)cc1 1889987153 SXQOBFJZNZRBBB-KCJUWKMLSA-N 192.262 1.256 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H](C)[C@H](C)C1 1929148320 PXAMQZSSLQRMNL-RNSXUZJQSA-N 198.262 1.332 10 10 ADCE NC[C@H]1C[C@H]1Cc1cccc(O)c1O 1952136873 XMXWQBVFHQCEOD-RKDXNWHRSA-N 193.246 1.235 10 10 ADCE C[C@@]1(c2cccc(O)c2O)CCN1 1952220882 VELGNDHCHDUUIV-JTQLQIEISA-N 179.219 1.306 10 10 ADCE CO[C@]1(C)CC[C@@H](O)[C@H](N=[N+]=[N-])C1 1954543972 PHAPZBGTOKLOCA-BWZBUEFSSA-N 185.227 1.615 10 10 ADCE C[C@H]1CC[C@@H](CO)N(CCN=[N+]=[N-])C1 1955030431 PZFSXHJSGBVQFI-IUCAKERBSA-N 198.270 1.390 10 10 ADCE CNC[C@@H]1CCN(CCCN=[N+]=[N-])C1 1957246586 CLLCFDKWNBARQO-VIFPVBQESA-N 197.286 1.228 10 10 ADCE Oc1ccsc1CNC1CC1 2208962126 AEMDHKROSZPKAU-UHFFFAOYSA-N 169.249 1.706 10 10 ADCE C[C@H]1CC(=O)c2c(O)cccc2C1=O 13510524 ALPCEXCHMFUSAN-LURJTMIESA-N 190.198 1.797 10 10 ADCE endogenous,in-man C[C@@H]1C(=O)C(=O)c2ccccc21 34528707 LBFDBMPNXSTBNJ-LURJTMIESA-N 160.172 1.556 10 10 ADCE COc1ccc(C)c(O)c1O 39410317 TWXQXLIAMSCBKL-UHFFFAOYSA-N 154.165 1.415 10 10 ADCE COCCC[S@@](=O)CCN=[N+]=[N-] 82630014 YDAILVPCUVSKBX-LBPRGKRZSA-N 191.256 1.082 10 10 ADCE ONCc1ccc2[nH]ccc2c1O 82870166 UGCYDAJCQQQXRZ-UHFFFAOYSA-N 178.191 1.352 10 10 ADCE CN[C@H](CC(=O)O)c1ccccc1O 84356782 MHSAXUYTRULCSS-MRVPVSSYSA-N 195.218 1.127 10 10 ADCE CC(C)[C@H](N)c1cc(N)ccc1O 104581243 WTJAUNMVMBQONX-JTQLQIEISA-N 180.251 1.630 10 10 ADCE C[C@H](O)[C@H]1CCN(CCCN=[N+]=[N-])C1 156860360 GKGIPRYIRRWSRZ-IUCAKERBSA-N 198.270 1.390 10 10 ADCE Cc1cc([C@H](C)N)c(O)c(F)c1F 211734997 AQWSHVDNRKPEAW-YFKPBYRVSA-N 187.189 1.999 10 10 ADCE CC[C@H]1NCc2c(O)cccc21 221191647 VDPOCKCELPEQBL-SECBINFHSA-N 163.220 1.947 10 10 ADCE C=CC(=O)NCCCCN=[N+]=[N-] 229214586 FAPGHHJFRDXFHG-UHFFFAOYSA-N 168.200 1.379 10 10 ADCE COCCCOCCN=[N+]=[N-] 232223586 FKNSGERNTZMCAV-UHFFFAOYSA-N 159.189 1.350 10 10 ADCE CC(C)(C)O[S@](O)=C1COC1 238119076 VMFQNRWASCEKIU-NSHDSACASA-N 178.253 1.661 10 10 ADCE COc1cc(O)c2c(c1O)[C@@H](N)CC2 238372293 IMPUDIGDPAPBCM-LURJTMIESA-N 195.218 1.052 10 10 ADCE CO[C@H](O)C1CCC(N=[N+]=[N-])CC1 238407713 RDONCORVBWCNBF-RRQHEKLDSA-N 185.227 1.820 10 10 ADCE O=C1N[C@@H]2c3ccoc3C[C@@H]2/C1=C/O 238610432 BYPLELUHHUEXDD-SJNNWYEASA-N 191.186 1.065 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@H]2CO[C@H]3C[C@H]1O[C@@H]32 306369059 BHJZBOIKRUZJSL-FMGWEMOISA-N 181.195 1.099 10 10 ADCE Nc1cc2c(O)csc2cc1O 306650885 RSPQXDJJXUGBLK-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE C/C=C/[C@@H](O)Cc1ccc(N)cc1 704711804 XZEACQMBTASGTK-KXMPLOMGSA-N 177.247 1.748 10 10 ADCE C[C@@H](CCO)NCc1ccc(N)cc1 1892808964 SMUMPLCQDLQKDT-VIFPVBQESA-N 194.278 1.129 10 10 ADCE CCOCCCN1CC[C@@H](N=[N+]=[N-])C1 1912164378 ADAFKYRQIVTYKH-SECBINFHSA-N 198.270 1.798 10 10 ADCE Cc1nc(C(=O)NCCN=[N+]=[N-])co1 1912182991 JQZOFQWGIZMXPT-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE CC[C@H]1CC[C@](O)(C(=O)C(C)=O)C1 1929143071 YTNDJWTVKJYKLD-WCBMZHEXSA-N 184.235 1.086 10 10 ADCE CCn1nc(C)c(C(=O)C(C)=O)c1C 1951590328 MRGHZRQOSFGROO-UHFFFAOYSA-N 194.234 1.292 10 10 ADCE CC1(C)CC2(CO[C@@H](CN=[N+]=[N-])N2)C1 1956026742 ZRXUSYXJQVBSMA-ZETCQYMHSA-N 196.254 1.801 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCC(=O)O1 39038252 GOCLKZIRKPPILW-YFKPBYRVSA-N 155.157 1.392 10 10 ADCE Cc1cnnn1Cc1ccc(N)cc1 62429880 PFEZKWKSQKBWIN-UHFFFAOYSA-N 188.234 1.217 10 10 ADCE Nc1ccc(CCc2ncn[nH]2)cc1 82530161 KJWLRJDCERVVMD-UHFFFAOYSA-N 188.234 1.172 10 10 ADCE Cc1ccc([C@H](N)[C@@H](C)O)c(O)c1C 95782954 YACZPDZWVASTMT-PSASIEDQSA-N 195.262 1.390 10 10 ADCE Cc1cccc(N)c1N[C@H]1CCOC1 125665363 HRWJMVYGMHWOAD-VIFPVBQESA-N 192.262 1.778 10 10 ADCE N=Nc1ccc[nH]1 140114254 SZPVSVYAANPBDH-UHFFFAOYSA-N 95.105 1.677 10 10 ADCE C[C@@H](O)C[C@@H](C)N=[N+]=[N-] 159705504 NIADQJKBLBSMST-RFZPGFLSSA-N 129.163 1.456 10 10 ADCE CC(=S)CC(=O)C1CC1 215644212 NMFCLLGFBMOMLH-UHFFFAOYSA-N 142.223 1.745 10 10 ADCE Oc1ccc2c(c1O)CCO2 258558634 QHDCMSJFOLOAIO-UHFFFAOYSA-N 152.149 1.033 10 10 ADCE [N-]=[N+]=NCc1ccc([C@H](O)CO)cc1 259415849 MPZBYKFEIBJIQP-SECBINFHSA-N 193.206 1.523 10 10 ADCE Nc1ccc(COCF)cc1 306250540 PNMBICJWSMIIBU-UHFFFAOYSA-N 155.172 1.712 10 10 ADCE COc1cnn(-c2ccc(N)cc2)c1 307306053 SLXVKPKZBHIGMD-UHFFFAOYSA-N 189.218 1.463 10 10 ADCE [N-]=[N+]=NC[C@@H](O)Cc1ccco1 687756585 QCWYXFHAXJIQSC-LURJTMIESA-N 167.168 1.493 10 10 ADCE CC(=O)[C@H](N=[N+]=[N-])[C@@H](O)c1ccco1 687756981 WWOIDHPSFRTQNE-YUMQZZPRSA-N 195.178 1.581 10 10 ADCE COC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 703091853 ZBOYUBYAEAIZLE-ZCFIWIBFSA-N 184.199 1.528 10 10 ADCE N[C@@H](c1ccccc1O)C1COC1 1881729468 VVTKWTPGXMYXQP-SNVBAGLBSA-N 179.219 1.038 10 10 ADCE C[C@@H]1C[C@@H](Nc2ccc(N)cc2)CN1 1888920929 AUETYUULJQWPGI-LDYMZIIASA-N 191.278 1.431 10 10 ADCE C[C@H](CCO)N(C)CCCN=[N+]=[N-] 1912159560 JFYNHRZMWHWNFN-MRVPVSSYSA-N 186.259 1.390 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@]23CC[C@@H]2C3)C1 1935499224 FHRVDBAYISHFGQ-MUWHJKNJSA-N 192.222 1.308 10 10 ADCE N[C@@H]1CCc2cc(N3CCC3)ccc21 1951325192 ZWQCXLNGKXICBZ-GFCCVEGCSA-N 188.274 1.843 10 10 ADCE [N-]=[N+]=NCCc1nccnc1Cl 1951385442 GXECUZPQGOQEAF-UHFFFAOYSA-N 183.602 1.983 10 10 ADCE CNCc1sc(Cl)cc1O 2242106728 XFCRWPZAKAGOGO-UHFFFAOYSA-N 177.656 1.827 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C[C@@H]2C[C@H]2CF)C1 2297285417 PAVZDCWLODBFNP-CIUDSAMLSA-N 198.245 1.977 10 10 ADCE CC(C)(O)C(=O)c1ccc(O)c(O)c1 33856275 UYGBNZUGEZDSPT-UHFFFAOYSA-N 196.202 1.051 10 10 ADCE CC[C@@H](C)C(=O)NCCCN=[N+]=[N-] 42012904 RXVXOLHBVZCALO-SSDOTTSWSA-N 184.243 1.849 10 10 ADCE CCc1ncn(-c2ccc(N)cc2)n1 142823411 XICLNIMEABTEDO-UHFFFAOYSA-N 188.234 1.412 10 10 ADCE CCC[C@H](N)c1cc(F)cc(N)c1O 211730449 DXMPIYVDQWPJDB-QMMMGPOBSA-N 198.241 1.913 10 10 ADCE CC(C)=C1C=COC1=O 217733820 PTUQEGOMFCINIK-UHFFFAOYSA-N 124.139 1.393 10 10 ADCE CCNCc1cc(O)c(O)cc1C 238262938 YQFMEGZQKDRGBV-UHFFFAOYSA-N 181.235 1.516 10 10 ADCE Cc1conc1N=NN(C)C 255974415 GMGXLEBBWNRKTC-UHFFFAOYSA-N 154.173 1.543 10 10 ADCE COc1ccc(N(C)C)c(CCN)c1 258090701 NXWOGWIPFNDDHD-UHFFFAOYSA-N 194.278 1.262 10 10 ADCE COc1ccc(N(C)CN)c(C)c1C 258890763 MZKABDYRQGTESR-UHFFFAOYSA-N 194.278 1.664 10 10 ADCE Oc1cccc2c1C1(CC1)NCCC2 259788134 RBFBLJFIKKWESN-UHFFFAOYSA-N 189.258 1.917 10 10 ADCE Cc1n[nH]c(C)c2ccc(C=O)c1-2 307127977 OJCVGJPVHLFWEJ-UHFFFAOYSA-N 174.203 1.944 10 10 ADCE C[C@@H](N=O)c1c(O)cccc1O 701706183 RNDRGJHCHVITAJ-RXMQYKEDSA-N 167.164 1.925 10 10 ADCE CC(C)[C@@H]1CO[C@@H](CN=[N+]=[N-])N1 885318717 BWEIZPSQPQCLTO-BQBZGAKWSA-N 170.216 1.267 10 10 ADCE CCO[C@H](C)CN=[N+]=[N-] 1535799934 BAGXNLVWIKNLLS-RXMQYKEDSA-N 129.163 1.722 10 10 ADCE N=[N+]=Nc1ccc(CO)cc1 1775955263 LQUMZBONMKFMOG-UHFFFAOYSA-N 150.161 1.361 10 10 ADCE in-vitro [N-]=[N+]=NC[C@]12C[C@H](CO1)C2 1880081275 PDFJUJPZHQYQQA-OLQVQODUSA-N 139.158 1.476 10 10 ADCE CC(C)[C@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 1898392284 GZOBDMVBFWUQFG-SFYZADRCSA-N 196.254 1.705 10 10 ADCE CSC1CN(CCCN=[N+]=[N-])C1 1912194074 RWAAGTOZEMKOCI-UHFFFAOYSA-N 186.284 1.734 10 10 ADCE OCc1ccc(N2CC(F)C2)cc1 1916986705 GPYSZLMJRCPOKU-UHFFFAOYSA-N 181.210 1.337 10 10 ADCE CCCCCC(=O)[C@@H]1CCC(=O)C1=O 1932573556 LTZINJTUGWSLAO-QMMMGPOBSA-N 196.246 1.684 10 10 ADCE CN(O)Cc1cccc([N+](=O)[O-])c1O 1951350686 XCCRWZNKLWEWFH-UHFFFAOYSA-N 198.178 1.121 10 10 ADCE CC(C)(O)CCc1ccc(O)c(O)c1 1951402939 OWBNXLLYAZNXIV-UHFFFAOYSA-N 196.246 1.801 10 10 ADCE CC(=O)C(=O)C(F)(F)c1ccccc1 1951986958 AMSBIJMXMJTOCX-UHFFFAOYSA-N 198.168 1.937 10 10 ADCE c1ccc2c(c1)NC[C@@H](C1COC1)N2 1955609496 UXTUUAZZSARYHK-NSHDSACASA-N 190.246 1.539 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H](N)C[C@H]1C2 2297289956 GRVAXIUHFQMWIP-IWSPIJDZSA-N 195.270 1.108 10 10 ADCE CCC[C@@H](N)c1c(O)cc(O)cc1O 82727000 VDTYONIPHHSQDD-SSDOTTSWSA-N 197.234 1.603 10 10 ADCE CC(C)C(=O)C(=O)c1ccc[nH]1 84427932 HPCAIGOLHZHDMJ-UHFFFAOYSA-N 165.192 1.423 10 10 ADCE CC(C)[C@H](N)c1ccc(O)cc1O 95672163 AOXDZGVYYCHWKC-JTQLQIEISA-N 181.235 1.754 10 10 ADCE C[C@H](N)c1c(F)ccc(C(=O)O)c1O 95713993 DLRXKVUOLJPWEO-BYPYZUCNSA-N 199.181 1.249 10 10 ADCE Cc1ccc(F)c([C@H](N)CCO)c1O 95717195 VWKSZGZZEPWWPK-MRVPVSSYSA-N 199.225 1.222 10 10 ADCE CN(C)c1ccc2c(c1)OCC[C@H]2N 104675496 HZSWIQZJQUCECC-SNVBAGLBSA-N 192.262 1.535 10 10 ADCE C[C@H](N)c1sccc1O 106068865 MXSWQGXZUVIPCU-BYPYZUCNSA-N 143.211 1.473 10 10 ADCE N[C@H]1CCSc2cccc(O)c21 107169771 AWJPWXFYVWPJID-LURJTMIESA-N 181.260 1.888 10 10 ADCE CC1(N=[N+]=[N-])CCNCC1 197197871 ZRBGPRVKCCOKQU-UHFFFAOYSA-N 140.190 1.439 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)CN=[N+]=[N-] 214734868 BKXNZCKVKVBCHT-SCSAIBSYSA-N 156.149 1.358 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2CC[C@H]1N2 226049621 GCTZTOQVLUFQNM-RRKCRQDMSA-N 152.201 1.437 10 10 ADCE CC(C)(N)c1cc2c(cc1O)COC2 258194272 XRCWADCMPMHIRV-UHFFFAOYSA-N 193.246 1.616 10 10 ADCE Oc1ccccc1[C@H]1CCC[C@@H](O)N1 258484431 FITIOHLTHDWZSF-MWLCHTKSSA-N 193.246 1.525 10 10 ADCE CNC[C@@H]1CN1c1ccc(OC)cc1 259141648 BDOHONSXFDRPIM-VUUHIHSGSA-N 192.262 1.103 10 10 ADCE CC[C@]1(CO)CO[C@H](CN=[N+]=[N-])C1 689249167 UXOVEJCEXYFXSW-YUMQZZPRSA-N 185.227 1.474 10 10 ADCE CC1=C=C(CN=[N+]=[N-])C(C)=NN1 885271413 SCBZLHWGQAUFPF-UHFFFAOYSA-N 163.184 1.705 10 10 ADCE CC[C@]1(C)CN[C@H](CN=[N+]=[N-])O1 885319391 VGHYYINUGWCWEJ-NKWVEPMBSA-N 170.216 1.411 10 10 ADCE CC1(C)C[C@@]1(N)c1cccc(O)c1O 1535734929 SRVCPNMESKRPRV-LLVKDONJSA-N 193.246 1.682 10 10 ADCE COc1cc(N2CCC2)ccc1CO 1903856528 QCIISMPOGUTNTP-UHFFFAOYSA-N 193.246 1.398 10 10 ADCE CC=CC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912174811 DXLZERAUKUOFAR-SSDOTTSWSA-N 180.211 1.474 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@@H](CC2CC2)CO1 1912189824 YZRPGAOPEWVDOY-YUMQZZPRSA-N 182.227 1.411 10 10 ADCE CN[C@H](CCOC)c1ccccc1O 1928472916 VYGUZAQHWJKKHX-SNVBAGLBSA-N 195.262 1.689 10 10 ADCE O=C1CCN[C@@H]1c1cccc(F)c1O 1951858712 GMJCKKKWYYCOLP-SECBINFHSA-N 195.193 1.135 10 10 ADCE COc1nccc(C(=O)C(C)=O)c1F 1952070264 LYQZVKRMYMSMBY-UHFFFAOYSA-N 197.165 1.001 10 10 ADCE CC(C)(N)c1c(O)cccc1[N+](=O)[O-] 1952507507 OEFACHLCUIHEIJ-UHFFFAOYSA-N 196.206 1.494 10 10 ADCE Cc1sc(=N)[nH]c1CN=[N+]=[N-] 1953334980 BONDIJZYRAHMLZ-UHFFFAOYSA-N 169.213 1.674 10 10 ADCE CN=c1[nH]c(CN=[N+]=[N-])c(C)s1 1953707306 GLRGLLCYONDORZ-UHFFFAOYSA-N 183.240 1.725 10 10 ADCE Cc1cn(C)c(C=C2CCNC2)n1 1954068111 GAZPPKBHTQTVNC-UHFFFAOYSA-N 177.251 1.105 10 10 ADCE CC[C@H]1[C@@H](O)CCN1CCN=[N+]=[N-] 2242160525 QLHDQSIZHJACGU-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE C[C@@H](C(F)F)N1CC(N=[N+]=[N-])C1 2242500736 UCBVFNLVHBXWFL-BYPYZUCNSA-N 176.170 1.635 10 10 ADCE CC(=O)c1sc(C(=O)O)cc1O 34479976 BWULUBCJUWQMBK-UHFFFAOYSA-N 186.188 1.355 10 10 ADCE CCC(=O)N(C)Cc1ccc(N)cc1 35360063 INLQBWLLGBKYPX-UHFFFAOYSA-N 192.262 1.637 10 10 ADCE O=C(O)C1(c2ccc(O)c(O)c2)CC1 116250741 GHJFLVNGRUWTLC-UHFFFAOYSA-N 194.186 1.214 10 10 ADCE C[C@@H](Cc1cccc(O)c1O)C(=O)O 206136859 RVXWMWCKSGWDDJ-LURJTMIESA-N 196.202 1.361 10 10 ADCE Cc1c(C)c(Cl)c(O)c(O)c1N 213311876 HQCMMEWWTJUBKT-UHFFFAOYSA-N 187.626 1.950 10 10 ADCE C[C@@H](CO)[C@@H](C)Nc1ccccc1N 228695907 PBSFETYRLPVXOT-DTWKUNHWSA-N 194.278 1.698 10 10 ADCE CC1(C(=O)O)CC(N=[N+]=[N-])C1 238228763 GDNIIYRGXSJHAA-UHFFFAOYSA-N 155.157 1.550 10 10 ADCE COc1ccc([C@H](C)N)c(O)c1O 238343252 LDPLXWVEUNLBKP-YFKPBYRVSA-N 183.207 1.126 10 10 ADCE Nc1ccc(On2cccc2)cc1 238586715 VQBIPXZVVDYZPT-UHFFFAOYSA-N 174.203 1.912 10 10 ADCE O=C1N[C@H]2c3ccoc3C[C@H]2/C1=C/O 238609462 BYPLELUHHUEXDD-AWDXAEIFSA-N 191.186 1.065 10 10 ADCE CN(C)N=Nc1ccc(NC=O)cc1 263600402 JYMLVQVXQJFHRZ-UHFFFAOYSA-N 192.222 1.815 10 10 ADCE C[C@H]1CCN1c1ccc2c(c1)CNC2 307239594 PQTLWOUIPVARSI-VIFPVBQESA-N 188.274 1.888 10 10 ADCE C[C@H](CF)NCc1ccc(O)c(O)c1 308652582 LRHHJNSCMMBHMB-SSDOTTSWSA-N 199.225 1.545 10 10 ADCE COC(=O)/C(=C/c1ccc[nH]1)N=[N+]=[N-] 379340238 HHWLAVOZMGXDTH-ALCCZGGFSA-N 192.178 1.839 10 10 ADCE Cc1cc(N=NN(C)C)n[nH]1 382587178 SHVYEAAWVSKOFG-UHFFFAOYSA-N 153.189 1.278 10 10 ADCE CC1=C=C=C([C@H](O)CNN=N)S1 642853908 XNZOCTPYUJHWFR-ZCFIWIBFSA-N 183.236 1.171 10 10 ADCE Oc1cccc(-c2cn[nH]c2)c1O 1535731330 QRXJGFCQHLVACX-UHFFFAOYSA-N 176.175 1.488 10 10 ADCE C[C@@H](N)[C@@H](C)Nc1c(N)cccc1F 1888913207 ZGJNJXYLQDGOJG-RNFRBKRXSA-N 197.257 1.556 10 10 ADCE NC[C@@H]1CC[C@@H]1Nc1ccccc1N 1888933220 IROVQLPRPPBWMT-WPRPVWTQSA-N 191.278 1.418 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1cnsc1 1912177693 GVCHJIBCMRZUNB-YFKPBYRVSA-N 170.197 1.487 10 10 ADCE CCCOCCN1CC[C@@H](N=[N+]=[N-])C1 1912197109 OZSWJYFMDZVODW-SECBINFHSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CSC(=O)C1 1951378312 WOAUAIUWBRQEHE-YFKPBYRVSA-N 171.225 1.967 10 10 ADCE [N-]=[N+]=NCCN1CC(CCF)C1 1953475460 PNQVOWGJTRIURI-UHFFFAOYSA-N 172.207 1.588 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@@H](N)C1 1954207302 UEONXRWBVACVGG-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE C[C@H]1C[C@@H](CN)CCN1CCN=[N+]=[N-] 1957250905 TVRXKNVNOAQDJW-IUCAKERBSA-N 197.286 1.356 10 10 ADCE C[C@@H]1C[C@@H](C)N(CCN=[N+]=[N-])CCN1 1957251205 ZCGOSXZTFKLQOA-RKDXNWHRSA-N 197.286 1.369 10 10 ADCE CCC[C@H](CC)[C@@H](O)C(=O)C(C)=O 2242050239 PIJAYRAUILEVMT-WCBMZHEXSA-N 186.251 1.332 10 10 ADCE C[C@@H](NC1CC1)c1ccc(O)cc1O 22149301 GJUXEXSXDOKFSU-SSDOTTSWSA-N 193.246 1.911 10 10 ADCE Oc1cccc(CNCC2CC2)c1O 41049381 VJBIZJCKVDAESW-UHFFFAOYSA-N 193.246 1.597 10 10 ADCE [N-]=[N+]=NCCN1CCCSCC1 42444544 MHWYKZHOCDCYKE-UHFFFAOYSA-N 186.284 1.736 10 10 ADCE C[C@@H]1CSCCN1CCN=[N+]=[N-] 69761422 AKNZWIJQCLGSGO-SSDOTTSWSA-N 186.284 1.734 10 10 ADCE [N-]=[N+]=NCC[C@H](O)c1ccncc1 75458041 HKHLXYWDXHGRBC-QMMMGPOBSA-N 178.195 1.815 10 10 ADCE C[C@H]1CCN1CCc1ccc(N)cc1 86678154 ZKMMGRIZULYEKQ-JTQLQIEISA-N 190.290 1.906 10 10 ADCE CCc1cccc([C@@H](N)CCO)c1O 95706939 FEBLXRQMAMXPCH-JTQLQIEISA-N 195.262 1.337 10 10 ADCE Oc1cc(F)ccc1[C@@H]1CCN1 104460504 NHJUTVNBQYJMAN-QMMMGPOBSA-N 167.183 1.566 10 10 ADCE CN[C@@H](C)c1cc(OC)cc(C)c1O 211757536 ZQMJRJYTYIZGSJ-QMMMGPOBSA-N 195.262 1.990 10 10 ADCE CC(C)[C@@H]1CCNC(=O)[C@H](N=[N+]=[N-])C1 221249351 MHPPWJVTQHKOFD-HTQZYQBOSA-N 196.254 1.848 10 10 ADCE CCC(=O)CCC(=O)C(=O)CC 222814137 AKVYXSSDELVBCA-UHFFFAOYSA-N 170.208 1.294 10 10 ADCE CCc1occc1-c1cc(N)[nH]n1 234301397 JQFDOVKKBVRTNI-UHFFFAOYSA-N 177.207 1.814 10 10 ADCE Nc1ccc(NC(=O)C(F)F)cc1 236349350 QGEHMSLSKRRNEE-UHFFFAOYSA-N 186.161 1.472 10 10 ADCE [N-]=[N+]=N[C@H](O)c1cccnc1 238697085 XKPIUODLNNRIAI-ZCFIWIBFSA-N 150.141 1.383 10 10 ADCE COc1ccc(CNCN)cc1C 258903834 OMLLBDGSUPIBCH-UHFFFAOYSA-N 180.251 1.009 10 10 ADCE Oc1cccc2c1C1(CC1)NC2 259743254 NPIOXGIRSQBIQN-UHFFFAOYSA-N 161.204 1.485 10 10 ADCE CCC[S@@](=O)N=[N+]=[N-] 306546058 AAYABDPZBFXWAE-MRVPVSSYSA-N 133.176 1.370 10 10 ADCE N[C@@H]1CC(=O)c2c(F)c(F)cc(O)c21 713764191 SQAHNIXTNPRTRW-SCSAIBSYSA-N 199.156 1.257 10 10 ADCE COc1cccnc1CN=[N+]=[N-] 1535746599 XVTWNWNJWQAUEA-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE [N-]=[N+]=NC1CCN(C[C@H]2CCO2)CC1 1888422821 NGVNFKIMBVDZNY-SECBINFHSA-N 196.254 1.550 10 10 ADCE O=C(O)C=CNCc1ccccc1O 1927715713 FRUIDMQSULXDPZ-UHFFFAOYSA-N 193.202 1.080 10 10 ADCE [N-]=[N+]=NCCc1ccncc1O 1951401781 IJIZEDSLICMTFT-UHFFFAOYSA-N 164.168 1.640 10 10 ADCE [N-]=[N+]=NCCCN1CCCC12CNC2 1957244323 PAPBWIMZYRLBCD-UHFFFAOYSA-N 195.270 1.125 10 10 ADCE C[C@H]1CNCC[C@H]1N(C)CCN=[N+]=[N-] 1957249608 LTCNZQVMPRWGTC-DTWKUNHWSA-N 197.286 1.227 10 10 ADCE COc1ccc(N2C[C@@H](O)[C@@H]2C)cc1 2209623757 CHTTUICLYACVBN-GZMMTYOYSA-N 193.246 1.265 10 10 ADCE CSCc1cccc(O)c1O 13542038 LUUCLKJCCGGETF-UHFFFAOYSA-N 170.233 1.961 10 10 ADCE O=C1CC/C=C/CCC1=O 33841519 BSVYUYLJHHQXHD-OWOJBTEDSA-N 138.166 1.255 10 10 ADCE Oc1ccc([C@H]2CCCN2)cc1O 72201507 JVTOPHFPJFJJHB-MRVPVSSYSA-N 179.219 1.522 10 10 ADCE CCCc1cc(CN)c(O)cc1OC 75598078 HCTHJPCIOZGGHZ-UHFFFAOYSA-N 195.262 1.812 10 10 ADCE [N-]=[N+]=NCCSC1COC1 86195575 GIFFWLZYFPMSDX-UHFFFAOYSA-N 159.214 1.429 10 10 ADCE COc1ccc(N2CC(C)C2)cc1N 86662865 IAUJHAQGFFKUJO-UHFFFAOYSA-N 192.262 1.734 10 10 ADCE CN(C)c1ccc2c(c1)[C@H](N)CO2 104659675 SLFXCKSXFCDTIV-SECBINFHSA-N 178.235 1.145 10 10 ADCE Cn1ccc(C(=O)CN=[N+]=[N-])c1 130745556 JCKRXXDYYKDGSL-UHFFFAOYSA-N 164.168 1.518 10 10 ADCE Cc1ccc2c(c1O)CNCC2 212165608 APTNRJGDEVFGPY-UHFFFAOYSA-N 163.220 1.346 10 10 ADCE CCOC(=O)/C(=C/O)c1ccco1 238291472 ZPEIXDIUUGIZMO-VOTSOKGWSA-N 182.175 1.742 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2CC(=O)O[C@@H]2C1 238647934 ZJMRWHMPBIYVFT-HSUXUTPPSA-N 167.168 1.391 10 10 ADCE Oc1cc(C(F)F)c(O)nc1O 238672111 UCEWZKDWPLADOZ-UHFFFAOYSA-N 177.106 1.136 10 10 ADCE CC(C)(N)c1cc(O)c(O)c(F)c1 258093361 OBMJBTPNBCZTKS-UHFFFAOYSA-N 185.198 1.431 10 10 ADCE NCC1(c2ccc(F)c(O)c2O)CC1 258191917 XLDQJODPPMXXER-UHFFFAOYSA-N 197.209 1.227 10 10 ADCE CCC[C@@H](N)c1ccc(F)c(N)c1O 307215873 STEUXZDZQKPLDF-MRVPVSSYSA-N 198.241 1.913 10 10 ADCE CC(C)Oc1cnn(CCN=[N+]=[N-])c1 308569118 ZZTIVQXVGWWUQL-UHFFFAOYSA-N 195.226 1.981 10 10 ADCE C[C@@H](C(=O)NCCN=[N+]=[N-])C1CCC1 692736442 ONUJBQHMOYBUTH-SSDOTTSWSA-N 196.254 1.849 10 10 ADCE NC[C@@H]1CC[C@H]1Nc1ccc(N)cc1 1888933319 KYIFTFNLKLKVET-GZMMTYOYSA-N 191.278 1.418 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]1C1CCC1 1889013252 MQPRXXAWVIARMI-MWLCHTKSSA-N 196.246 1.086 10 10 ADCE CC[C@@H]1CCCN(CCN=[N+]=[N-])C1=O 1912178284 LPSSOXPGLODDJD-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE Cc1nocc1[C@@H](CO)N=[N+]=[N-] 1951606139 WBUYVPIBYIIMBS-ZCFIWIBFSA-N 168.156 1.327 10 10 ADCE CCN1CCc2cc(O)c(O)cc21 34380795 YWVXDPWCLPPBSF-UHFFFAOYSA-N 179.219 1.480 10 10 ADCE CC[C@H](N)c1ccc(O)c(O)c1O 71452010 GDOTYBGVLHJORD-LURJTMIESA-N 183.207 1.213 10 10 ADCE COc1cc([C@@H]2CCN2)cc(O)c1O 104459614 YUYUSNILKXSVQN-ZETCQYMHSA-N 195.218 1.141 10 10 ADCE N[C@H](CF)c1ccc(O)c(O)c1 107123074 VYAFUTXRUPUVPL-ZCFIWIBFSA-N 171.171 1.067 10 10 ADCE NC(=O)/C(=C\O)c1ccccc1 116710466 SWBPHQKGPHEFLH-VURMDHGXSA-N 163.176 1.071 10 10 ADCE N[C@H]1CC[C@H]1c1ccc(O)c(O)c1 199204885 LPJNYLKJGMMAFQ-YUMQZZPRSA-N 179.219 1.303 10 10 ADCE C[C@@H](N)c1cc2c(cc1O)OCCO2 212148156 MVGBVUBBNOJFPQ-ZCFIWIBFSA-N 195.218 1.183 10 10 ADCE C[C@H](N)c1cc(CF)ccc1O 212388356 VRSLVDNTEPVYPP-LURJTMIESA-N 169.199 1.881 10 10 ADCE CC[C@H](N=[N+]=[N-])[C@H](N)CC 238259111 OHUXWEDDZVNLJG-RITPCOANSA-N 142.206 1.813 10 10 ADCE Cc1cc(O)c([C@@H]2CCCN2)cc1O 258027791 IUVGUYHNLKYZBZ-VIFPVBQESA-N 193.246 1.831 10 10 ADCE Nc1oncc1-c1cccc(O)c1O 258121263 QRXGRTFOEXDHTO-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE CCOC(=O)/C(=C\O)C(C)C 307809793 ZFNSUUHEXZZZFK-ALCCZGGFSA-N 158.197 1.647 10 10 ADCE COCc1nnc(CN=[N+]=[N-])s1 1881024256 WUZINYBFTIWMAW-UHFFFAOYSA-N 185.212 1.495 10 10 ADCE Nc1ccc(CNC[C@H]2C[C@H]2F)cc1 1887445553 VSPASXPGPUGGMF-MWLCHTKSSA-N 194.253 1.716 10 10 ADCE CC(=O)C(=O)[C@H](O)CCC[C@@H]1C[C@@H]1C 1890516104 HKKTTYPYVWPFEW-FXBDTBDDSA-N 198.262 1.332 10 10 ADCE CC1(CN2CC(N=[N+]=[N-])C2)CSC1 1912168739 WMGIKUYXVOUZLH-UHFFFAOYSA-N 198.295 1.734 10 10 ADCE CO[C@@H](C)[C@@](C)(N)c1ccccc1O 1928465900 AGSPZPVXODLSPL-GZMMTYOYSA-N 195.262 1.601 10 10 ADCE CN1CC[C@@H](CN=[N+]=[N-])CC1=O 1951362438 DEQXHWWZBSEWBE-ZCFIWIBFSA-N 168.200 1.165 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)N1CCC1 1954538360 RITPGQOMLDPOKZ-UHFFFAOYSA-N 183.215 1.054 10 10 ADCE C[C@@H]1CN[C@H](C)CN(CCN=[N+]=[N-])C1 1957251199 ZBDRFQAABZNBOW-RKDXNWHRSA-N 197.286 1.227 10 10 ADCE CC(C)(O)[C@@H]1CNc2ccccc2N1 2209640676 ZFUCNBPWXUQWAP-JTQLQIEISA-N 192.262 1.664 10 10 ADCE Cc1cc(C)c(CN)c(O)c1C 82632771 BLIOXJINFDWQBP-UHFFFAOYSA-N 165.236 1.776 10 10 ADCE [N-]=[N+]=N[C@@H]1CCO[C@@]2(CCOC2)C1 86905947 BWRGXWWDDQIRNO-SFYZADRCSA-N 183.211 1.635 10 10 ADCE COc1ccc2c(c1)C(=O)C(=O)C2 116403189 AERHIWGCWDSJRT-UHFFFAOYSA-N 176.171 1.003 10 10 ADCE C[C@@H](N)c1cccc(CF)c1O 212387333 URXBLNPZUHIRQJ-ZCFIWIBFSA-N 169.199 1.881 10 10 ADCE CNCc1ccc2c(c1O)CCN2C 213637848 XXVGIFSKZIQXDP-UHFFFAOYSA-N 192.262 1.104 10 10 ADCE CC(=O)[C@H]1CCCC1=S 238073203 WXJGATYKQDUSLU-ZCFIWIBFSA-N 142.223 1.745 10 10 ADCE CCNCc1ccc(N)cc1O 238264046 XVPOTWLDLYJYBE-UHFFFAOYSA-N 166.224 1.084 10 10 ADCE CCOC(=O)N[C@@H](C)N=[N+]=[N-] 238278837 CABJTEFTSKMCGM-SCSAIBSYSA-N 158.161 1.389 10 10 ADCE CN(C)[C@H]1C[C@@H]1c1ccc(O)c(O)c1 238300344 DBSWGRFYUPDTSK-BDAKNGLRSA-N 193.246 1.515 10 10 ADCE [N-]=[N+]=NCC[C@H]1C=CC(=O)O1 238657446 KUZOJHUIUVBYEC-RXMQYKEDSA-N 153.141 1.168 10 10 ADCE Oc1ccc(CC2(O)CC2)cc1O 257942471 DLPKZFKKHFWOAY-UHFFFAOYSA-N 180.203 1.165 10 10 ADCE Cc1cccc([C@H](N)[C@@H](C)N)c1O 306882056 INRRMRASWQUXQO-VXNVDRBHSA-N 180.251 1.048 10 10 ADCE C[C@@H](N)/C=C\c1ccc(O)c(O)c1 308105787 PJPADANVRHANQF-SKRYNEFJSA-N 179.219 1.458 10 10 ADCE CCn1ccnc1C=C1CC(N)C1 575559104 FUMMMPNHADBDBA-UHFFFAOYSA-N 177.251 1.408 10 10 ADCE COCc1cc(CN)c(O)cc1OC 642879412 MCJQUNHWSDVDTK-UHFFFAOYSA-N 197.234 1.006 10 10 ADCE CC[C@@H]1C[C@H](N(C)CCN=[N+]=[N-])CO1 711142938 ABVUCEQGJUARQV-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NC[C@@H]1NC[C@@H](C2CC2)O1 885299049 MMRMLACAHAWACU-NKWVEPMBSA-N 168.200 1.021 10 10 ADCE C[C@H](CN1CC[C@H](N=[N+]=[N-])C1)N(C)C 1884947733 VDNKNIVWZOEUAG-BDAKNGLRSA-N 197.286 1.321 10 10 ADCE CNC[C@H](C)CNc1ccc(N)cc1 1888905048 JJWOKYNIBQGZCQ-VIFPVBQESA-N 193.294 1.536 10 10 ADCE CN(CCCCN=[N+]=[N-])C[C@H]1CCO1 1889800583 XUBRKUVQFCZHBQ-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])C[C@H]1CO 1905247005 KWMDHVQHHLBTHG-IUCAKERBSA-N 198.270 1.247 10 10 ADCE Cc1noc(CN=[N+]=[N-])c1N 1953338888 NHTHSAOAQXETJH-UHFFFAOYSA-N 153.145 1.376 10 10 ADCE C[C@@H]1C[C@@H](F)CN1CCN=[N+]=[N-] 1953510644 VTMOKIVSGFIUKV-RNFRBKRXSA-N 172.207 1.729 10 10 ADCE [N-]=[N+]=NCCCCN1CCN[C@@H]2C[C@@H]21 1957248399 CIOXXLFDDIIXDH-BDAKNGLRSA-N 195.270 1.123 10 10 ADCE CC1(N)CC(Nc2ccc(N)cc2)C1 1964642600 GYVXDIQGVMGOJW-UHFFFAOYSA-N 191.278 1.561 10 10 ADCE CCN(C)CCc1ccc(N)cc1 37078990 ZQVLMCKLNOXWQI-UHFFFAOYSA-N 178.279 1.763 10 10 ADCE Nc1ccc(C[C@H]2CCCN2)cc1 71494129 AHVVWFJVPZCHNA-LLVKDONJSA-N 176.263 1.563 10 10 ADCE CSc1ccc(O)c([C@@H](N)CN)c1 72200540 WQGPZSLJOSJOKV-QMMMGPOBSA-N 198.291 1.073 10 10 ADCE CCCNC/N=N/C 75519103 JRHZMZQLVYQFPY-SOFGYWHQSA-N 115.180 1.026 10 10 ADCE [N-]=[N+]=N[C@H]1CCO[C@@]2(CCOC2)C1 86905953 BWRGXWWDDQIRNO-YUMQZZPRSA-N 183.211 1.635 10 10 ADCE CC/C=C(\C)C(=O)NCCN=[N+]=[N-] 88383568 AZXQXMLZKHXNRK-QPJJXVBHSA-N 182.227 1.769 10 10 ADCE [N-]=[N+]=NC[C@@H]1CO[C@@H]2OCCC[C@@H]21 214276763 XLUFRVIJYSAHOQ-PRJMDXOYSA-N 183.211 1.696 10 10 ADCE O=C1C(=O)[C@H]2C=C[C@H]1[C@@H]1C=CC[C@H]12 230618589 KKHOJGYVNVFAQV-HXFLIBJXSA-N 174.199 1.133 10 10 ADCE C/C(=C\c1ccc(O)c(O)c1)[C@H](C)O 231748496 PFAKCBHYHYPMRI-IVGLGHLBSA-N 194.230 1.882 10 10 ADCE CO[C@H]1C[C@@H](N=[N+]=[N-])C[C@@](C)(CO)C1 238363373 OPBXOJCMFZOFPE-HRDYMLBCSA-N 199.254 1.863 10 10 ADCE COc1cc(C)cc(O)c1C1(N)CC1 238375109 CLDJWGSUYPIEMB-UHFFFAOYSA-N 193.246 1.657 10 10 ADCE NCc1ccc(O)c(C2(N)CCC2)c1 238622613 XYWGDYWPUAHCJM-UHFFFAOYSA-N 192.262 1.189 10 10 ADCE Oc1cc(O)c2c(c1O)CCC2 238719843 LWXVDQGWBPYTKS-UHFFFAOYSA-N 166.176 1.292 10 10 ADCE C[C@@H](N)c1c(Cl)ccc(O)c1O 257955927 BIZIGTXNDDOFMJ-SCSAIBSYSA-N 187.626 1.771 10 10 ADCE C[C@@H](CCN)c1cc(O)c(O)c(F)c1 258233728 WBRBRTLKSKZAIM-LURJTMIESA-N 199.225 1.689 10 10 ADCE CC(C)N1CC[C@H](N)[C@@H]1CN=[N+]=[N-] 642852611 LXUFPLKBUDAWFA-YUMQZZPRSA-N 183.259 1.107 10 10 ADCE CO[C@H]1CN[C@H]2CC[C@H](N=[N+]=[N-])[C@@H]1C2 714525380 INZUGVROZVXQJL-JBDRJPRFSA-N 196.254 1.452 10 10 ADCE NNCc1ccc(Cl)cc1O 1536171731 JBJYPYUGXCWHEH-UHFFFAOYSA-N 172.615 1.009 10 10 ADCE [N-]=[N+]=N[C@@H]1CC(F)(F)C[C@H]1O 1880348112 WUWVFLHTDFIWIX-QWWZWVQMSA-N 163.127 1.455 10 10 ADCE Cc1cccc(CN[S@](C)=O)c1O 1884126850 SWLFQHBEPVEKJG-ZDUSSCGKSA-N 199.275 1.084 10 10 ADCE COC[C@@H](C)N1CCC[C@H]1CN=[N+]=[N-] 1885286459 KGZKNIOWHGQVNV-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CN(CCN=[N+]=[N-])C[C@]12C[C@H](CO1)C2 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1888422971 PYVWHAGBXUFTAH-HTQZYQBOSA-N 182.227 1.160 10 10 ADCE NCc1ccc(N2CCSC2)cc1 1892081294 RAYZTJOETLTMMP-UHFFFAOYSA-N 194.303 1.656 10 10 ADCE [N-]=[N+]=NCCN1CCOC2(CCC2)C1 1912178761 OYVOJTYPFVQVET-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE CC(=O)C(=O)c1cc(C)nc(Cl)n1 1951982632 MSUHJQNTPRCMMY-UHFFFAOYSA-N 198.609 1.210 10 10 ADCE CC(=O)C(=O)c1ccc(S)cc1 1951985729 VBGSERKEWWBVHZ-UHFFFAOYSA-N 180.228 1.747 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@H]1CCCNC1 1957246562 CFIQHLRFRXTQNC-SECBINFHSA-N 197.286 1.371 10 10 ADCE CC[C@H](NN)c1ccc(C)cc1O 2080456074 WCZMCUQZRWFNIX-VIFPVBQESA-N 180.251 1.615 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])[C@@H](C)CN1C 2209952469 MWEHSDNMTVFLLK-IUCAKERBSA-N 197.286 1.321 10 10 ADCE CCN(CCN=[N+]=[N-])C1CC1 42415879 MQNPMHKEPRMNJK-UHFFFAOYSA-N 154.217 1.781 10 10 ADCE CC(C)C(=O)C(=O)C(C)(C)C 82152341 PDQTXMPRJKIGEI-UHFFFAOYSA-N 156.225 1.827 10 10 ADCE C[C@@H](CCO)SCCN=[N+]=[N-] 85147084 WIAGBQBSAJWNDL-LURJTMIESA-N 175.257 1.801 10 10 ADCE Cc1c(F)ccc([C@@H](C)N)c1O 95781300 LYVWAWWXHNJTGW-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[S@]1=O 196439817 QRZVTRDZBKPOSG-AJAUBTJJSA-N 145.187 1.165 10 10 ADCE Oc1cccc2c1CNC(=S)N2 214242593 TYRGKKYFXVIFII-UHFFFAOYSA-N 180.232 1.192 10 10 ADCE CC1(C)C[C@H]2C[C@H]1C(=O)C2=O 238251239 DCJMEAGKLREDLY-RITPCOANSA-N 152.193 1.191 10 10 ADCE [N-]=[N+]=NC1=NCCC1 238587033 JEFBALYXQJMGKN-UHFFFAOYSA-N 110.120 1.489 10 10 ADCE COCc1cccc([C@@H](C)N)c1O 257911917 AWZKOZRQUCVZKX-SSDOTTSWSA-N 181.235 1.558 10 10 ADCE CC[C@H]1C[C@H](N=[N+]=[N-])CN1 306363652 YVXFQBZLJNHTHS-WDSKDSINSA-N 140.190 1.437 10 10 ADCE Cc1ccc([C@@H](N)[C@H](C)N)c(O)c1 306894522 ZDEOPIFZRDGLKJ-XVKPBYJWSA-N 180.251 1.048 10 10 ADCE CCOC1CN(CCN=[N+]=[N-])C1 383044255 UBIDJEKHKUGAES-UHFFFAOYSA-N 170.216 1.017 10 10 ADCE CN1CC[C@@]2(CCO[C@@H]2CN=[N+]=[N-])C1 757208314 GHCZBPMYHSDHHV-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCC[C@]12CCCOC2 757214189 VJVBOGXWDOHCJJ-IUCAKERBSA-N 197.238 1.882 10 10 ADCE [N-]=[N+]=NCCc1cncs1 1535734033 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N[C@H]1CCCc2c1cc(O)c(O)c2O 95786727 LKIRGLQDAJGYQW-ZETCQYMHSA-N 195.218 1.140 10 10 ADCE CNCc1sc(C)cc1O 108284099 OAQHSEIDZPDIJZ-UHFFFAOYSA-N 157.238 1.482 10 10 ADCE CC1(C)OCC[C@@H]2[C@@H](N=[N+]=[N-])C(=O)N21 136818737 JLJLLMZWKIQARR-PHDIDXHHSA-N 196.210 1.033 10 10 ADCE Nc1ccc(Nc2ccn[nH]2)nc1 140065766 WHPMHAZPGZYJSD-UHFFFAOYSA-N 175.195 1.131 10 10 ADCE COc1cc(O)c(O)cc1F 212046522 BZBQHURFLFLTGS-UHFFFAOYSA-N 158.128 1.246 10 10 ADCE CCc1ccc2c(c1O)[C@H](N)CO2 238290012 ZXUYOMHDOQKTCR-SSDOTTSWSA-N 179.219 1.347 10 10 ADCE C[C@H]1CCN[C@@H](c2ccccc2O)N1 238438416 QYUKOTSAMODLOL-GZMMTYOYSA-N 192.262 1.362 10 10 ADCE CC[C@@H](C)[C@H](N)CN=[N+]=[N-] 238797905 HQGXYYXZWFZHRD-PHDIDXHHSA-N 142.206 1.670 10 10 ADCE COc1ccc(N(C)C)c([C@@H](C)O)c1 258016896 HXAXBXKZWSYZEY-MRVPVSSYSA-N 195.262 1.815 10 10 ADCE N[C@]1(c2ccccc2O)CC[C@@H](O)C1 259686412 JNDLEVYBMZDSSW-LDYMZIIASA-N 193.246 1.091 10 10 ADCE CO[C@@]1(CN=[N+]=[N-])CCOC1 575453146 PJXNLQSNSZJYDP-ZCFIWIBFSA-N 157.173 1.102 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C(=O)O1 688531458 XFXZJWWZUDHVCM-RXMQYKEDSA-N 170.172 1.137 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2CC[C@@]1(N)C2 1772717385 XMBBEWWMINJAKX-DSYKOEDSSA-N 152.201 1.567 10 10 ADCE CC(=O)C(=O)[C@](C)(O)[C@@H]1CCC1(C)C 1887663859 KIDBUZSSPUTIGK-LDYMZIIASA-N 198.262 1.332 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@@H](C)C1 1929129302 HJFWIMOFQOQSHF-XCBNKYQSSA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(F)c(O)c1 1951358220 VJZWHWWYCPJUCD-ZETCQYMHSA-N 197.169 1.875 10 10 ADCE O=C1CC(Cc2ccc(O)c(O)c2)C1 1951861539 WWEVQWNWDGORFO-UHFFFAOYSA-N 192.214 1.619 10 10 ADCE Cc1sc(C=O)c(O)c1C 2208926316 TZXKUFZXBCDZAW-UHFFFAOYSA-N 156.206 1.883 10 10 ADCE COC[C@@H](C)N(C)CCN=[N+]=[N-] 42519330 KUNASRZTFXULDL-SSDOTTSWSA-N 172.232 1.263 10 10 ADCE CN[C@H](C)CCc1ccc(O)c(O)c1 84349754 OZEOPQRCKZKVMS-MRVPVSSYSA-N 195.262 1.638 10 10 ADCE CN(C)C1=CCC(=[N+]=[N-])C=C1 100008561 LAXPFHMCFLHGKK-UHFFFAOYSA-N 149.197 1.063 10 10 ADCE [N-]=[N+]=N[C@@H](C(N)=O)c1ccccc1 135954884 WXXGOFFWEFRULL-SSDOTTSWSA-N 176.179 1.523 10 10 ADCE COc1ccc(N(C)C)cc1C=O 138968659 FMWSHAZVLNXXNE-UHFFFAOYSA-N 179.219 1.574 10 10 ADCE Cn1ccc2sc(CN)c(O)c21 211436997 VUJPUOJGXBPUQR-UHFFFAOYSA-N 182.248 1.404 10 10 ADCE C=CNC(=O)Nc1ccc(N)cc1 218292829 KFXOHMWUUTZMLB-UHFFFAOYSA-N 177.207 1.534 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1O 230322142 VGPULNKRZQKISF-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE CCOC(=O)[C@@]1(N=[N+]=[N-])CCN=N1 238797828 SKKOIPYWRMWXBF-LURJTMIESA-N 183.171 1.412 10 10 ADCE [N-]=[N+]=N/C=C/[C@H]1C=N1 307092701 BHTLXCBQBDJIPD-QPHDTYRISA-N 108.104 1.263 10 10 ADCE C=CC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403322044 AXVGSFQYKFXHFU-SSDOTTSWSA-N 180.211 1.474 10 10 ADCE CC[C@]1(C)COCCN1CCN=[N+]=[N-] 687912057 FUQQQWVCDAOXFR-SECBINFHSA-N 198.270 1.798 10 10 ADCE CN(C)c1ccc(C[N+](=O)[O-])cc1 1535880147 AYOWLOFOIWZMQO-UHFFFAOYSA-N 180.207 1.529 10 10 ADCE Cc1ncccc1[C@@H](O)CN=[N+]=[N-] 1881738808 QCYSAUNWDQCABR-QMMMGPOBSA-N 178.195 1.734 10 10 ADCE [N-]=[N+]=NC1CN([C@@H]2CCCOC2)C1 1912145121 ZPCFLRIZIXJBQB-MRVPVSSYSA-N 182.227 1.160 10 10 ADCE C[C@@H](O)C1CN(CCCCN=[N+]=[N-])C1 1912152747 ARJYMLDMVPFRKN-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE Nc1ccc(CCN2CC(F)C2)cc1 1917014038 MAIZQKMJEFJIDA-UHFFFAOYSA-N 194.253 1.465 10 10 ADCE CCN[C@@H]1CCN(CCCN=[N+]=[N-])C1 1957250286 PEUFAGLYFCBAAH-SECBINFHSA-N 197.286 1.371 10 10 ADCE Cc1ccc(C2=NNCCC2)c(O)c1 75579849 AQOSCZQVVJMOQK-UHFFFAOYSA-N 190.246 1.788 10 10 ADCE CNC[C@@H](O)c1cc2c(ccn2C)o1 82894276 FNKNMXATOUHKJQ-MRVPVSSYSA-N 194.234 1.024 10 10 ADCE COC(=O)[C@H](C)C(=O)CCCN=[N+]=[N-] 196166635 KETVVPNWGKTEMR-ZCFIWIBFSA-N 199.210 1.455 10 10 ADCE Oc1c(Cl)ccc2c1CNCC2 213103952 GTJULCJYGMTXDJ-UHFFFAOYSA-N 183.638 1.691 10 10 ADCE CC(C)[C@H]1C(=O)C(=O)C[C@H]1C 223915307 OJFDCPUUMYVIDV-HTRCEHHLSA-N 154.209 1.437 10 10 ADCE CC/N=N/CCCCCO 238227269 XKDSTDOSFOHPAI-CMDGGOBGSA-N 144.218 1.621 10 10 ADCE CN[C@H](C)COc1ccc(N)cc1 238323696 BFSZCOKXCBLUHR-MRVPVSSYSA-N 180.251 1.256 10 10 ADCE CN[C@@H](C)c1cc(CN)ccc1O 257904926 PLWLQJAZRKSOII-ZETCQYMHSA-N 180.251 1.131 10 10 ADCE Cc1cc(F)c(O)c([C@@H]2CCN2)c1 306562004 TZPXGTRUPIMHHV-VIFPVBQESA-N 181.210 1.874 10 10 ADCE CC(=O)O[C@H]1C[C@H]2C=C[C@H]1[C@@H]2N=[N+]=[N-] 307264349 BSOSJIYUAKFSCG-LURQLKTLSA-N 193.206 1.803 10 10 ADCE O=C1O[C@H]2C[C@H]3CC[C@H]2[C@@H](C3)/C1=C\O 308445469 LIWCODNQGMKKNQ-RTFPKOCCSA-N 194.230 1.790 10 10 ADCE NCCCC[C@H](N)c1ccccc1O 575440082 IOMJOQVVAMIOLN-JTQLQIEISA-N 194.278 1.521 10 10 ADCE CCn1ccnc1/C=C1\CC[C@@H](N)C1 708527762 MYTHYSQJHHCIRE-AAXQSMANSA-N 191.278 1.798 10 10 ADCE CC1(C)CC[C@@H](N=[N+]=[N-])CN1 1775955815 IHWZKRCLEORJDE-ZCFIWIBFSA-N 154.217 1.827 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1CC1COC1 1885286294 JNAXGXKHXKKNTC-VIFPVBQESA-N 196.254 1.408 10 10 ADCE CC(C)OCCN1CC[C@H](N=[N+]=[N-])C1 1912163764 NKMAFOGVEJBOQW-VIFPVBQESA-N 198.270 1.796 10 10 ADCE COC1CC(N(C)CCN=[N+]=[N-])C1 1912187246 FZTFTHWABQWIKW-UHFFFAOYSA-N 184.243 1.406 10 10 ADCE CC(C)(C)[C@H](O)CN1CC(N=[N+]=[N-])C1 1912194497 AQLLESLCHYRLPK-MRVPVSSYSA-N 198.270 1.388 10 10 ADCE O=C1C[C@@H](c2cccc(O)c2O)CO1 1951474187 XAZBGRQUWHICRK-ZCFIWIBFSA-N 194.186 1.128 10 10 ADCE CNC(C)(C)c1ccc(F)cc1O 1952383338 SJXSRDFLQYMKIN-UHFFFAOYSA-N 183.226 1.986 10 10 ADCE OCCCNCc1c(O)cccc1F 1955543360 ISBYCUIFCFMRAE-UHFFFAOYSA-N 199.225 1.003 10 10 ADCE [N-]=[N+]=NCCCN1CCCC[C@H](O)C1 1956711082 FCSTWAMRHJSZDC-VIFPVBQESA-N 198.270 1.534 10 10 ADCE CCOc1cccc([C@H]2CCN2)c1O 39090423 SLPCUYHDWVSKNH-SECBINFHSA-N 193.246 1.825 10 10 ADCE COC[C@H](N)c1c(O)ccc(F)c1C 104487754 XWTNJYPPCGAUIS-QMMMGPOBSA-N 199.225 1.486 10 10 ADCE C[C@H]1CCc2c1cc(O)c(O)c2C=O 238454975 DDUOBOOXEZEIKG-LURJTMIESA-N 192.214 1.960 10 10 ADCE Oc1cc(C(F)F)c(O)c(O)n1 238671680 FMBUFGMKFIJSAW-UHFFFAOYSA-N 177.106 1.136 10 10 ADCE OCc1cc(O)cc2c(O)csc12 307096058 DGSYGXFRIOWOLY-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE S=Cc1cocn1 307110525 MAQHLZGEHQEEKY-UHFFFAOYSA-N 113.141 1.022 10 10 ADCE Cc1nc(CCCN=[N+]=[N-])no1 687828227 BXNNDSGJZADEIV-UHFFFAOYSA-N 167.172 1.621 10 10 ADCE [N-]=[N+]=NCc1cc(Cl)ncn1 1880396635 DCRRQGQXBSPDQE-UHFFFAOYSA-N 169.575 1.940 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CCC[C@H]1COC2 1895632125 KVISQFAWAPZNFR-IUCAKERBSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=NC1CN(CC[C@@H]2CCOC2)C1 1912172896 XRAKKHXHVVIHHO-MRVPVSSYSA-N 196.254 1.408 10 10 ADCE CC[C@@H](C=Cc1nccn1CC)CN 1931128543 LWCOPRGEHCWEPW-JTQLQIEISA-N 193.294 1.901 10 10 ADCE C[C@@]1(c2c(O)cc(O)cc2O)CCN1 1952210049 CBGGQAKSHDSQDV-JTQLQIEISA-N 195.218 1.012 10 10 ADCE Oc1ccc([C@H]2C[C@@H](F)CN2)cc1O 1952877965 ZYTRBOWFOSFKPF-HTQZYQBOSA-N 197.209 1.470 10 10 ADCE Cc1c(O)ccc(O)c1O 3644804 WPFZLGOGWVNEID-UHFFFAOYSA-N 140.138 1.112 10 10 ADCE CCC(=O)Oc1ccc(N)cc1 39240315 XWWWWYHNBLRVPZ-UHFFFAOYSA-N 165.192 1.584 10 10 ADCE Cc1cc(O)c(CN)cc1C 82840827 GCWVSISJEVLPAC-UHFFFAOYSA-N 151.209 1.468 10 10 ADCE C[C@@H](CC(=O)O)c1ccc(O)c(O)c1 82908535 BGVLDIADPLHZNB-LURJTMIESA-N 196.202 1.676 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCO1 147348884 MUAOJQFKVTWEDJ-RXMQYKEDSA-N 127.147 1.476 10 10 ADCE [N-]=[N+]=NCCOCC1=CCC=CN1 150130294 CNAFLPCTUWEEHP-UHFFFAOYSA-N 180.211 1.704 10 10 ADCE CN[C@H](C)Cc1cccc(O)c1O 196516542 IEWVRBKULFCLTN-SSDOTTSWSA-N 181.235 1.248 10 10 ADCE Oc1c(O)c(F)c(F)c(F)c1O 238726337 NGAGJTHATPLCFG-UHFFFAOYSA-N 180.081 1.221 10 10 ADCE Oc1ccccc1[C@@]12CC[C@@H](C1)N2 258347093 VULXJBWTOWDEHG-GZMMTYOYSA-N 175.231 1.743 10 10 ADCE Oc1ccccc1[C@H]1CCC[C@H](O)N1 258484428 FITIOHLTHDWZSF-KOLCDFICSA-N 193.246 1.525 10 10 ADCE Cc1ccc(O)c(CN2CCC2)c1 306321991 UJVCRVLXKGDPLS-UHFFFAOYSA-N 177.247 1.906 10 10 ADCE Cc1cc(/N=N/N(C)C)n[nH]1 306402965 SHVYEAAWVSKOFG-MDZDMXLPSA-N 153.189 1.278 10 10 ADCE CCCOc1cnn(CCN=[N+]=[N-])c1 388846566 YONWHRUJOKIPHU-UHFFFAOYSA-N 195.226 1.982 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H](C2CC2)CC1=O 690836523 NDXKUTRXXNHGRA-QMMMGPOBSA-N 194.238 1.555 10 10 ADCE C[C@@H]1CC[C@@H](O)C[C@H]1N=[N+]=[N-] 725361656 OTBLEGVBWGMCJM-FSDSQADBSA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCC[C@@H](C(=O)O)O1 1877236110 NKKFGTNRTVKODZ-WDSKDSINSA-N 185.183 1.319 10 10 ADCE CC=C(C)C(=O)NCCCN=[N+]=[N-] 1963700389 XWCIZIFKIOSMEA-UHFFFAOYSA-N 182.227 1.769 10 10 ADCE CC(C)c1sc(N)c(O)c1N 2080415563 XXPRSIQJCOAJCF-UHFFFAOYSA-N 172.253 1.742 10 10 ADCE CCCCn1nnnc1CN=[N+]=[N-] 42390691 VOPNHVRDUMWCST-UHFFFAOYSA-N 181.203 1.284 10 10 ADCE Cc1ccc(F)c(O)c1[C@H](C)N 95706753 VCGMPFVNZQTPLJ-LURJTMIESA-N 169.199 1.859 10 10 ADCE S=C1CNc2ccccc21 100210009 CUDMRWMDSHMHAW-UHFFFAOYSA-N 149.218 1.830 10 10 ADCE Oc1ccc2c(c1O)NCC2 116886618 KALUNYWYOOPINF-UHFFFAOYSA-N 151.165 1.066 10 10 ADCE CCOC(=O)/C=C(\CN=[N+]=[N-])OC 226001883 YWAAVIURVDBMHV-GQCTYLIASA-N 185.183 1.390 10 10 ADCE CO[C@@H](c1ccc(O)c(O)c1)[C@@H](C)N 238409325 MERTWYJVRRDIDS-LHLIQPBNSA-N 197.234 1.133 10 10 ADCE C[Si]1(C)CCC(=O)C(=O)CC1 238459553 VBHCRYQHPBVCGV-UHFFFAOYSA-N 170.284 1.627 10 10 ADCE Nc1ccc([C@@H](N)C2CC2)c(O)c1 238576638 HJAAEJYCAWHXJM-JTQLQIEISA-N 178.235 1.384 10 10 ADCE [N-]=[N+]=NC[C@@H]1OC(=O)N2CCCC[C@H]12 238593690 OXGQKMBBKJDTPP-RQJHMYQMSA-N 196.210 1.670 10 10 ADCE O=Cc1cc(O)c(C=O)s1 238681315 SSPVPIHMFUCOQF-UHFFFAOYSA-N 156.162 1.079 10 10 ADCE Nc1cc(-c2ccc(O)c(O)c2)[nH]n1 258096179 OJBWEDSWBWTLED-UHFFFAOYSA-N 191.190 1.070 10 10 ADCE C[C@H](CN=[N+]=[N-])CN1CCOCC1 720654208 BYINCCLXKCTYDN-MRVPVSSYSA-N 184.243 1.265 10 10 ADCE Nc1ccc(N[C@@H]2[C@H]3CCO[C@H]32)cc1 1884448597 GMYWRURRYJHDLB-GMTAPVOTSA-N 190.246 1.468 10 10 ADCE Cc1nnc2cc(CN=[N+]=[N-])ccn12 1887360697 NDBDOFYOXBXFMG-UHFFFAOYSA-N 188.194 1.848 10 10 ADCE CC1([C@H](NN)c2ccccc2O)CC1 1928481430 WFQVNURGCMMMCQ-SNVBAGLBSA-N 192.262 1.697 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@@H](CO)CO1 1953471676 PUNXYTODMZNCNI-NKWVEPMBSA-N 171.200 1.084 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H](O)C2(CCC2)C1 1956264275 ANRBWEDJRFQYOB-MRVPVSSYSA-N 196.254 1.144 10 10 ADCE CCc1c(F)ccc(O)c1O 2060121845 YDCKEUFNQZTQEN-UHFFFAOYSA-N 156.156 1.799 10 10 ADCE [N-]=[N+]=NCC[S@](=O)C1C[C@@H]2C[C@H]2C1 2241690493 RWWQGQBAHGQNJK-MREMCGJQSA-N 199.279 1.844 10 10 ADCE Nc1ccc(CCC2=NCCN2)cc1 34076190 RCMAQTNGICROBI-UHFFFAOYSA-N 189.262 1.203 10 10 ADCE CC(=O)CCN(C)C[C@@H](C)N=[N+]=[N-] 38416284 SKIQBUJTCJBETE-SSDOTTSWSA-N 184.243 1.596 10 10 ADCE CN(C)c1ccc([C@@H]2CC(=O)N2)cc1 44256808 LSZOBESLUYPYDH-JTQLQIEISA-N 190.246 1.314 10 10 ADCE C[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1 52269980 YEXNWPOZMSETPF-CBAPKCEASA-N 193.246 1.596 10 10 ADCE Cc1nnc(NC(=O)CN=[N+]=[N-])s1 108412598 CZCNBRBGMZWSSU-UHFFFAOYSA-N 198.211 1.095 10 10 ADCE CN[C@H](C)c1cc(N)ccc1O 138212804 ONCQFGXMUXDVBP-ZCFIWIBFSA-N 166.224 1.255 10 10 ADCE COC(=O)CC(=O)CCCCN=[N+]=[N-] 196820019 BXAJESHJWOTVGT-UHFFFAOYSA-N 199.210 1.599 10 10 ADCE C[C@H]1C[C@@H](C)CN1C[C@@H](O)CN=[N+]=[N-] 203325837 YGVLNUUWJTUVJZ-VGMNWLOBSA-N 198.270 1.388 10 10 ADCE CC(=O)c1ccc(O)c(O)c1[N+](=O)[O-] 204828527 GDTSAVLJVYOBFJ-UHFFFAOYSA-N 197.146 1.209 10 10 ADCE C[C@@H](N)c1cc(Cl)cc(N)c1O 238420281 XAHZLSYMDNMBHX-SCSAIBSYSA-N 186.642 1.648 10 10 ADCE C[C@H](N)c1cscc1O 238436401 CYFZMLAXZPJBTM-BYPYZUCNSA-N 143.211 1.473 10 10 ADCE CSc1ccc(O)c(CNO)c1 258143127 SUFSCPOMEWFCPW-UHFFFAOYSA-N 185.248 1.593 10 10 ADCE C[C@@H]1C[C@@H](C(=O)N(C)C)C[C@H]1N=[N+]=[N-] 306600955 JLZLTGCMCKYQGH-BWZBUEFSSA-N 196.254 1.800 10 10 ADCE CN/C=C\C(=S)/C=C\OC 383509534 KPYXZHILXDWYMN-GLIMQPGKSA-N 157.238 1.250 10 10 ADCE C[C@@H]1O[C@@H](O)CC[C@@H]1N=[N+]=[N-] 702711429 KUDVKPBKLAGPJH-HCWXCVPCSA-N 157.173 1.183 10 10 ADCE Nc1ccc(NC[C@H](N)C2CC2)cc1 1888904477 AUFVKOBCRKIINS-NSHDSACASA-N 191.278 1.418 10 10 ADCE Oc1ccccc1CN[C@H]1C[C@@H](F)C1 1893660434 YZBXFQNSPRSXPV-AOOOYVTPSA-N 195.237 1.982 10 10 ADCE Nc1ccc(Cn2cc(F)cn2)cc1 1894919220 SBSQDCABPCEOOF-UHFFFAOYSA-N 191.209 1.653 10 10 ADCE CO[C@@H]1CCN(CCCCN=[N+]=[N-])C1 1912153749 DJMDJFGFCAWKQG-SECBINFHSA-N 198.270 1.798 10 10 ADCE C=CC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912159705 LKSJSJSCRFRAEI-LURJTMIESA-N 166.184 1.084 10 10 ADCE C[C@H](NCc1ccc(N)cc1)[C@@H](C)O 1929714256 XLBCYGKFILGCAE-DTWKUNHWSA-N 194.278 1.128 10 10 ADCE CC(=O)C(=O)C1(O)CCCCCCC1 1932588527 AMCQEKJJTGMACZ-UHFFFAOYSA-N 198.262 1.620 10 10 ADCE NC1CC(c2ccc(O)c(O)c2)C1 1952437535 LXYQBABLSRSWQI-UHFFFAOYSA-N 179.219 1.303 10 10 ADCE Nc1ccc(C[N+](=O)[O-])cc1 39134924 AEVZZEJXAIKYRE-UHFFFAOYSA-N 152.153 1.046 10 10 ADCE Cc1c(F)ccc(O)c1[C@@H](N)[C@H](C)O 104486196 RJTCZQOISTVGEG-WKEGUHRASA-N 199.225 1.220 10 10 ADCE Cc1ccc(O)c2c1CCN[C@H]2C 212724244 RISDHIAMIRGBOZ-QMMMGPOBSA-N 177.247 1.907 10 10 ADCE CC(=O)N[C@H]1CCCC[C@H]1N=[N+]=[N-] 238145016 DFEBGXXHFIMIEO-JGVFFNPUSA-N 182.227 1.744 10 10 ADCE CN1CC(C)(C)[C@H](N=[N+]=[N-])N(C)C1=O 238329855 WCSIHGCGSWAFIS-ZCFIWIBFSA-N 197.242 1.646 10 10 ADCE N=C(N)CC(=S)c1ccccc1 238569511 AJFZQYKKLXJJNR-UHFFFAOYSA-N 178.260 1.731 10 10 ADCE N[C@H]1COc2cc(Cl)cc(O)c21 238644606 OEJIRWWHEFCKHL-YFKPBYRVSA-N 185.610 1.438 10 10 ADCE CC(C)[C@@H](N)c1cccc(N)c1O 238791814 NWKZMYXHGPNESD-SECBINFHSA-N 180.251 1.630 10 10 ADCE Cc1cc([C@@H](C)O)cc(O)c1O 257964497 HHEQRTDXRGAGDA-ZCFIWIBFSA-N 168.192 1.460 10 10 ADCE NC(=O)N=Nc1cccc(C(=O)O)c1 334139129 RLVCSBPWDRTHJA-UHFFFAOYSA-N 193.162 1.547 10 10 ADCE C/C=C/[C@H](O)Cc1ccc(N)cc1 704711807 XZEACQMBTASGTK-VUDBWIFFSA-N 177.247 1.748 10 10 ADCE CC(C)[C@@H]1CCO[C@@H](CN=[N+]=[N-])N1 885456406 OBRYFDFHGOTTDT-YUMQZZPRSA-N 184.243 1.657 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCCN(C(N)=O)C1 885853333 ZXQFYOLISMCZFE-SSDOTTSWSA-N 197.242 1.478 10 10 ADCE C[C@H](O)[C@H]1CCCN1CCCN=[N+]=[N-] 1890519690 KTWCOUSHKXBTIJ-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE C[C@@H]1CCC[C@H]([C@@H]2CCC(=O)C2=O)N1 1932574179 VZQHTCUZIPLCFN-HRDYMLBCSA-N 195.262 1.065 10 10 ADCE CC(=CCN)c1ccc(O)c(O)c1 1951473861 RTFQUIUYJCBWDO-UHFFFAOYSA-N 179.219 1.460 10 10 ADCE N[C@@H](c1c(O)cccc1F)C1(O)CC1 1952411452 OWBJSZHXHPMDCO-VIFPVBQESA-N 197.209 1.056 10 10 ADCE [N-]=[N+]=NC[C@]1(F)CC[C@H](C(=O)O)C1 1954219426 RAEKHUQXZDJRNE-FSPLSTOPSA-N 187.174 1.890 10 10 ADCE Nc1ccc(CN2CC(CF)C2)cc1 1955353891 HCMMZSZUVKJLOF-UHFFFAOYSA-N 194.253 1.670 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H](C)CN1 1957251196 ZBDRFQAABZNBOW-BDAKNGLRSA-N 197.286 1.227 10 10 ADCE C[C@@H](N)C=Cc1ccc(O)c(O)c1O 2055857169 OIMXVOWITKDBIS-ZCFIWIBFSA-N 195.218 1.164 10 10 ADCE CCNC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209521674 WUVXGOKRTZBDQC-BQBZGAKWSA-N 197.242 1.537 10 10 ADCE C[C@@H](N)c1ccc2c(c1)CCN2C 11730083 AEXFAFVQZHNRKM-MRVPVSSYSA-N 176.263 1.699 10 10 ADCE CC(C)[C@H](N)c1ccc(O)c(O)c1 84336175 GBUOEVRZVLZBDG-JTQLQIEISA-N 181.235 1.754 10 10 ADCE Cc1cccc([C@@H]2COC(=O)N2)c1O 95686129 DYOGDRRYGXEPGN-QMMMGPOBSA-N 193.202 1.482 10 10 ADCE COc1ccc(N2CC=CC2)cc1N 116295044 JMFUCKPROWYTGN-UHFFFAOYSA-N 190.246 1.654 10 10 ADCE C[C@H]1CC(=O)C(=O)[C@H](C)C1 129192943 VTXSOIUJMOWVQJ-PHDIDXHHSA-N 140.182 1.191 10 10 ADCE Cn1ccnc1C1=CC[C@H](N)CC1 168790500 ZGIWYDVLGJJJKD-VIFPVBQESA-N 177.251 1.315 10 10 ADCE CCc1cc([C@H](C)N)c(O)cc1O 214269613 OQGYEJLXOVQUFF-LURJTMIESA-N 181.235 1.680 10 10 ADCE CN(C)Cc1ccc(O)cc1O 238331881 BXEJRBYKIHFMMU-UHFFFAOYSA-N 167.208 1.159 10 10 ADCE N[C@@H]1CC[C@@H](c2ccc(O)c(O)c2)C1 238580126 ZSFKZPDMWGWTAE-VXNVDRBHSA-N 193.246 1.693 10 10 ADCE CCc1cc(CNO)c(O)c(OC)c1 257958246 BQJOQEOWMARJRD-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE CC(C)Oc1ccc(N(C)CN)cc1 258885408 MKXUHMCZMDBVAY-UHFFFAOYSA-N 194.278 1.826 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H]2C=C[C@H]1[C@@H](O)C2 306372271 IASNAWHGGJWPBP-ZTYPAOSTSA-N 151.169 1.232 10 10 ADCE N=N/C=C1\Nc2ccccc2NC1=O 306750486 IZNFMQJHXNWUCW-VKSFIRGCSA-N 188.190 1.923 10 10 ADCE C[C@@H]1C[C@@H](N)CC[C@H]1N=[N+]=[N-] 307088368 SXAROBOMAKRPPS-DSYKOEDSSA-N 154.217 1.813 10 10 ADCE CC[C@@H](CO)Nc1c(N)cccc1F 307126011 UQLDBSKYCAJSPY-ZETCQYMHSA-N 198.241 1.591 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCCOC1 401455176 HJMOVVAPQPQNQI-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE [N-]=[N+]=N[C@H]1C(Cl)=CCC[C@H]1O 687756887 LVMBCNGYTWNVRG-RITPCOANSA-N 173.603 1.943 10 10 ADCE C/C=C\[C@H](O)Cc1ccc(N)cc1 704711806 XZEACQMBTASGTK-QUCGXOGASA-N 177.247 1.748 10 10 ADCE CO[C@H](C)[C@H]1CNc2ccccc2N1 953035928 SHKALENQTALYDN-LDYMZIIASA-N 192.262 1.928 10 10 ADCE Cc1occc1[C@@H](CO)N=[N+]=[N-] 1536204029 OHDKYKGGAHFZOJ-SSDOTTSWSA-N 167.168 1.932 10 10 ADCE C[C@H](O)[C@H](C)N1CCC[C@H]1CN=[N+]=[N-] 1885284398 AUBPYAVMBIPTGC-CIUDSAMLSA-N 198.270 1.530 10 10 ADCE C[C@H]1CCO[C@@H]1CN(C)CCN=[N+]=[N-] 1912162282 UJBWBCYHBPAQED-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE N[C@H](c1cn[nH]c1)c1ccccc1O 1928467181 HSRJXRRUFJUGPF-SNVBAGLBSA-N 189.218 1.163 10 10 ADCE Cn1ccnc1C=CC(C)(C)CN 1933296833 LKLADLLOXMOHNG-UHFFFAOYSA-N 179.267 1.418 10 10 ADCE CC(C)[C@@H]1O[C@H](CN=[N+]=[N-])N[C@H]1C 1954443398 DWPANWFDHZLAHW-RNJXMRFFSA-N 184.243 1.656 10 10 ADCE Nc1ccc(N2CC=C(F)C2)cc1 1954808977 SOYJCUWAYJQQLV-UHFFFAOYSA-N 178.210 1.942 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1cccs1 15785176 MNNCYDMLAZRMQX-UHFFFAOYSA-N 189.221 1.747 10 10 ADCE CC(=O)[C@H](C)Oc1ccc(N)cc1 31897368 ACXNQZMRCAYNDU-QMMMGPOBSA-N 179.219 1.625 10 10 ADCE CC(C)OC[C@H](O)CN=[N+]=[N-] 38363002 ZGESFQWNGRLQLH-ZCFIWIBFSA-N 159.189 1.083 10 10 ADCE Cc1ccnc(Cc2ccc(N)cc2)n1 40542896 VMLZTDHYXCFTBR-UHFFFAOYSA-N 199.257 1.958 10 10 ADCE C[C@@H]1C[C@H]1NCc1ccc(N)cc1 52294314 VPPVMWYLKYDDGJ-LDYMZIIASA-N 176.263 1.767 10 10 ADCE CC(=O)OCCOc1ccc(N)cc1 141724174 OZFCJAOCZNTEBO-UHFFFAOYSA-N 195.218 1.211 10 10 ADCE CNCC/C=C(\C)c1nccn1C 211703779 PLBSYDLNOOBFBU-WEVVVXLNSA-N 179.267 1.433 10 10 ADCE Cc1ccc(C2(N)CC2)c(O)c1 221191408 HSMYLMLCJFJLJK-UHFFFAOYSA-N 163.220 1.648 10 10 ADCE CN1CCO[C@](C)(CN=[N+]=[N-])C1 238302951 QHJCSJRZICCGKJ-SSDOTTSWSA-N 170.216 1.017 10 10 ADCE CN1CCC[C@H](N=[N+]=[N-])C1 1912190318 BWOSRKVRMBTXQQ-LURJTMIESA-N 140.190 1.391 10 10 ADCE COc1ccc(N(C)CCN)c(F)c1 1955849381 AXPRQRMXGWKTIR-UHFFFAOYSA-N 198.241 1.229 10 10 ADCE CC1(C)CCC(=O)N(CCN=[N+]=[N-])C1 1956812154 SZUOMQWGUSLERV-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE CCCC[C@H](O)CN=[N+]=[N-] 38324784 VNWZEAGGPLAHAH-LURJTMIESA-N 143.190 1.848 10 10 ADCE C[S@@](=O)CCc1ccc(N)cc1 40972224 MFZMXTWNEWSKTE-LBPRGKRZSA-N 183.276 1.190 10 10 ADCE COc1ccc(N2CC[C@@H]2C)cc1N 86662867 RGMWKFIONLBIKS-QMMMGPOBSA-N 192.262 1.876 10 10 ADCE Oc1ccc([C@@H]2NC[C@H]3C[C@@H]32)cc1O 106093240 JCDHSUAKISUSIW-FYBVGQRMSA-N 191.230 1.378 10 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1.010 10 10 ADCE CC[C@@H](N)[C@@H](CC)N=[N+]=[N-] 238295223 OHUXWEDDZVNLJG-PHDIDXHHSA-N 142.206 1.813 10 10 ADCE CO[C@@H]1COCC[C@@H]1N=[N+]=[N-] 238330904 VNGTVYIGXVMRIB-NTSWFWBYSA-N 157.173 1.101 10 10 ADCE COc1cc(C)c(O)c(C(C)(C)N)c1 258184273 WUPYUKMQCJJKNS-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE CN(C)c1ccc(/C=C\C(=N)N)cc1 383680896 AUKBBZOWNZJHCH-YVMONPNESA-N 189.262 1.702 10 10 ADCE [N-]=[N+]=NCCOC1CCOCC1 701386086 VVINMPSKZVGSOU-UHFFFAOYSA-N 171.200 1.492 10 10 ADCE CC/C(=C/c1nccn1C)C1CNC1 716164734 RDACZBLYBNPWTO-TWGQIWQCSA-N 191.278 1.433 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2COC[C@H]2O1 724626647 INAGFGCKUKINLN-LYFYHCNISA-N 169.184 1.101 10 10 ADCE CO[C@H]1C[C@H]2C[C@H]1CN2CCN=[N+]=[N-] 1889428210 OPTXALCZUSLDAT-YIZRAAEISA-N 196.254 1.406 10 10 ADCE CO[C@@H](CN=[N+]=[N-])[C@@H]1CCOC1 1912172618 GJDBEEYVMZHVKB-RQJHMYQMSA-N 171.200 1.348 10 10 ADCE C[C@@H]1C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912182478 BYWCEMOFNLNTOZ-VDTYLAMSSA-N 180.211 1.164 10 10 ADCE 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1.944 10 10 ADCE Oc1ccc([C@H](O)CF)cc1O 238706406 ZMSUBNGIERJQTF-MRVPVSSYSA-N 172.155 1.101 10 10 ADCE O=C1CC[C@@H](c2cc(O)ccc2O)N1 238728149 RPELYSAATZHCNK-QMMMGPOBSA-N 193.202 1.049 10 10 ADCE CN1CCC[C@@H](N)c2c(O)cccc21 257804644 SZONECAEGPYZRD-MRVPVSSYSA-N 192.262 1.622 10 10 ADCE CC[C@](C)(N)c1cc(CN)ccc1O 307709429 MFDYSGOAOABDQP-NSHDSACASA-N 194.278 1.435 10 10 ADCE CC(C)=C=CN=NCCO 378974770 GMILWBVQWMTBAH-UHFFFAOYSA-N 140.186 1.510 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1(Cl)CC1 575452164 RHQYZMZPGFTZIL-BYPYZUCNSA-N 161.592 1.429 10 10 ADCE C[C@@H]1C[C@H]1[C@@H](CO)N=[N+]=[N-] 1535691882 XPHPLNYLPSUPMN-HSUXUTPPSA-N 141.174 1.314 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H]1C[C@H]2CC[C@H]1O2 1535713318 IVUPDVDMQUGTGA-VGRMVHKJSA-N 183.211 1.225 10 10 ADCE Cc1ccc(C2(N)CC(O)C2)c(O)c1 1535803643 QZNMOWJYCWRVHX-UHFFFAOYSA-N 193.246 1.009 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H]1C[C@H]2C=C[C@H]1C2 1535870756 JYZHKNNGRABJDW-MAUMQABQSA-N 179.223 1.870 10 10 ADCE CC[C@@H]1CN[C@@H](CN=[N+]=[N-])S1 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C=Cc1ccc(N2CC[C@H](N)C2)cc1 238687358 CKWUDAUXFOVFTR-NSHDSACASA-N 188.274 1.867 10 10 ADCE [N-]=[N+]=NCCn1cnc(C2CC2)n1 308150793 QRPBWFMVCOHOTL-UHFFFAOYSA-N 178.199 1.466 10 10 ADCE CCC/C=C\[C@@H](O)[C@H](CO)N=[N+]=[N-] 687749846 OZGOTMGSRJLYEO-GBSWACPJSA-N 185.227 1.375 10 10 ADCE Cc1noc(C)c1[C@@H](CO)N=[N+]=[N-] 1535788546 TYURBUBYTOTZJX-ZCFIWIBFSA-N 182.183 1.635 10 10 ADCE COc1cc(S)cc(O)c1O 1535810067 XNZPFNAMQUFCCB-UHFFFAOYSA-N 172.205 1.395 10 10 ADCE COCCCN=NNc1cccnc1 1860494263 YIHCDDITNFEPRE-UHFFFAOYSA-N 194.238 1.897 10 10 ADCE [N-]=[N+]=NCC(=O)C1(Cl)CC1 1880133027 PQAXALKVSJYXSE-UHFFFAOYSA-N 159.576 1.637 10 10 ADCE C=C=CCC(=O)NCCN=[N+]=[N-] 1880814824 JMONPJLVUUZBTL-UHFFFAOYSA-N 166.184 1.144 10 10 ADCE Nc1ccc(N2C[C@H]3COC[C@@H]32)cc1 1886759305 QNQXQPDTPDNHNS-KWQFWETISA-N 190.246 1.104 10 10 ADCE C[C@H](CN1CC[C@@H](N=[N+]=[N-])C1)C(=O)O 1912168097 RRQVTKXSFPDPLG-RNFRBKRXSA-N 198.226 1.092 10 10 ADCE CC(=O)C(=O)c1cn2ccccc2n1 1951590258 VHWFIBBLGQQOPO-UHFFFAOYSA-N 188.186 1.106 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H]2[C@@H]2C[C@H]21 1954172657 LAYDXDLWZSNPEW-XSPKLOCKSA-N 178.239 1.637 10 10 ADCE CN(CCN=[N+]=[N-])C1(CN)CCC1 1954207464 WSACTEFEJXUBHR-UHFFFAOYSA-N 183.259 1.110 10 10 ADCE CCNCc1sccc1O 2208925813 LEPMOADNQJYMJW-UHFFFAOYSA-N 157.238 1.563 10 10 ADCE N[C@H](CCCO)c1cc(F)ccc1O 95663317 YPATZVAWAFIYKU-SECBINFHSA-N 199.225 1.304 10 10 ADCE CC(=S)/C=C1/CCCN1 104693018 BEHAPUCAMINSEI-ALCCZGGFSA-N 141.239 1.644 10 10 ADCE C[C@H](N)c1c(O)ccc2c1CCC2 108291684 FWWUQWRBNXVFIP-ZETCQYMHSA-N 177.247 1.901 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H]1N 164618618 TWOCVBHEZOMAKH-RFZPGFLSSA-N 126.163 1.177 10 10 ADCE Cc1cc([C@H](C)N)c(O)cc1O 213901281 ZKXLAXIKDOSMQR-LURJTMIESA-N 167.208 1.426 10 10 ADCE Cc1c(O)c(N)cc(O)c1CN(C)C 213950492 PFVHBDJIUJIEQY-UHFFFAOYSA-N 196.250 1.050 10 10 ADCE Cc1ccc(O)c(CN)c1Cl 214016040 MDRJZLFEOOKHSW-UHFFFAOYSA-N 171.627 1.813 10 10 ADCE CC(C)C(=O)NCCCCN=[N+]=[N-] 231730906 IYAIXPQXMOPINF-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE 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1.266 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1(Cl)CC1 1881402217 YBOYFCOKJNEQEH-UHFFFAOYSA-N 188.618 1.184 10 10 ADCE [N-]=[N+]=NC1CN([C@H]2C=CCC2)C1 1881528758 HWKLSAZQJYYNME-QMMMGPOBSA-N 164.212 1.700 10 10 ADCE C[C@@H](CN1CC[C@@H](N=[N+]=[N-])C1)N(C)C 1884947737 VDNKNIVWZOEUAG-DTWKUNHWSA-N 197.286 1.321 10 10 ADCE COC[C@@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 1885286468 KGZKNIOWHGQVNV-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE C[C@@H]1C[C@@]1(N)c1cccc(O)c1O 1951720823 AHRUKYSHSDCZAX-LDWIPMOCSA-N 179.219 1.292 10 10 ADCE CC[C@H]1C[C@]1(N)c1cccc(O)c1O 1951725737 SZBHKEYSKUFDEZ-WRWORJQWSA-N 193.246 1.682 10 10 ADCE N[C@H](c1cccc(F)c1O)C1(O)CC1 1952409394 AANUXENABFIAMX-SECBINFHSA-N 197.209 1.056 10 10 ADCE Nc1ccccc1N[C@H]1C[C@H]1CO 1954310451 YHKVNJZSVFLOKK-XVKPBYJWSA-N 178.235 1.062 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@]1(C)CN 1957244686 RQNAQWMBFFREPZ-BDAKNGLRSA-N 197.286 1.213 10 10 ADCE Oc1ccccc1CNc1ncc[nH]1 2209610150 RSOFIXFAGZHVLT-UHFFFAOYSA-N 189.218 1.727 10 10 ADCE C[C@@H](NC1CC1)c1cc(O)ccc1O 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CC(=O)O[C@@H]1[C@H]2C[C@H]3[C@H]([C@@H]2N=[N+]=[N-])[C@@H]31 307539577 QKRALCMUKCPNDG-ZQBLYPSISA-N 193.206 1.493 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H](O)C=C1Cl 687763005 HXFOSPRQLLLPLJ-UJURSFKZSA-N 173.603 1.943 10 10 ADCE C[C@]1(CN)CCCN1CCCN=[N+]=[N-] 1885992925 QHJWQKGDXQSILN-SECBINFHSA-N 197.286 1.500 10 10 ADCE COC[C@H](C)CN1CC[C@@H](N=[N+]=[N-])C1 1896852455 UPTDCPKAGZTEBK-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE CCCONCc1ccc(F)cc1O 1904363084 GSPCLKTVDGYQIX-UHFFFAOYSA-N 199.225 1.963 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN([C@H]2CCOC2)C1 1912208959 XXDIJJPCFDDGGS-BDAKNGLRSA-N 196.254 1.550 10 10 ADCE CSC[C@@](C)(N)c1ccccc1O 1928468796 AHZKRRQMMZWHIN-SNVBAGLBSA-N 197.303 1.929 10 10 ADCE Oc1ccc([C@@H](O)C2CC2)c(O)c1O 1951380828 CSDNTGSCUHJPKL-QMMMGPOBSA-N 196.202 1.247 10 10 ADCE [N-]=[N+]=NCCc1cnc(Cl)cn1 1951388741 ZDLFXRLDABHKHW-UHFFFAOYSA-N 183.602 1.983 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)CC1CCC1 2209083733 ACAMWDIXXFTIKN-GFCCVEGCSA-N 187.268 1.846 10 10 ADCE 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182.227 1.208 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C1(N)CCCCC1 1912159478 IHZZSIHUCIQOSG-SSDOTTSWSA-N 184.243 1.319 10 10 ADCE CCN1CCC[C@@H](N=[N+]=[N-])C1 1912192533 HFFPDXSMSCSZFV-SSDOTTSWSA-N 154.217 1.781 10 10 ADCE CSCCNCc1ccc(N)cc1 1929710595 IKMOKMXERLWHEY-UHFFFAOYSA-N 196.319 1.721 10 10 ADCE O=C1C[C@@H](c2ccc(O)c(O)c2)CO1 1951473876 SBDWFCYEUIVLMH-SSDOTTSWSA-N 194.186 1.128 10 10 ADCE CC(=CCN)Cc1ccc(O)c(O)c1 1951474036 UZFUNMHAMCAUKN-UHFFFAOYSA-N 193.246 1.545 10 10 ADCE CN[C@H](COC)c1ccc(F)cc1O 1951857351 UIFZJFRBTOGEQZ-SECBINFHSA-N 199.225 1.438 10 10 ADCE [N-]=[N+]=NCc1cnsc1C(=O)O 1953730389 FICFEWPWOFKSMM-UHFFFAOYSA-N 184.180 1.652 10 10 ADCE CO[C@@H]1C=CCN(CCN=[N+]=[N-])C1 1954827765 BKAVCXQXAMVOAJ-MRVPVSSYSA-N 182.227 1.184 10 10 ADCE CCOC(=O)C1CC(O)(CN=[N+]=[N-])C1 1954981394 ROFNZRHPTSBFMX-UHFFFAOYSA-N 199.210 1.001 10 10 ADCE [N-]=[N+]=NCCNC(=O)CCC1CCC1 1955564989 IEQJDZHSXOTJDG-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE COC(=O)N[C@@H](C)CCN=[N+]=[N-] 39138947 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179.219 1.304 10 10 ADCE COC(=O)N1CCC[C@H](CN=[N+]=[N-])C1 885895029 OYSGQRAOWZQLBR-SSDOTTSWSA-N 198.226 1.775 10 10 ADCE Oc1cccc(C[C@H]2CCNC2)c1O 1535736631 MAYVCHIEEXUCSY-MRVPVSSYSA-N 193.246 1.250 10 10 ADCE CC[C@H](OC)[C@H](CO)N=[N+]=[N-] 1535787327 PUAIIYRUBGHXQO-WDSKDSINSA-N 159.189 1.083 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1C[C@@H](O)C1 1887717151 HGMBEEMSNMZUDM-DTORHVGOSA-N 198.270 1.390 10 10 ADCE CC(C)[C@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1912164640 CJAWFUCWKMSROM-DTWKUNHWSA-N 198.270 1.388 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(Cc2ncc[nH]2)C1 1912166403 WYBQTKZXSVGPAR-SSDOTTSWSA-N 192.226 1.294 10 10 ADCE CC(C)(C)[C@@H](NN)c1ccccc1O 1928480601 LBJXTEWHCIXRLA-JTQLQIEISA-N 194.278 1.943 10 10 ADCE CC[C@H]1CCC[C@@](O)(C(=O)C(C)=O)C1 1929195353 FOFIDUKKNJLSCB-ONGXEEELSA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=N[C@H]1[C@H]2CCC[C@H]2C[C@H]1O 1934820544 IUGXYLCNEOTLJU-HSNKUXOKSA-N 167.212 1.846 10 10 ADCE Cc1ccc(O)c([C@H]2C[C@@H](O)CN2)c1 1952058140 AIGVUAGJCMHGGP-PSASIEDQSA-N 193.246 1.096 10 10 ADCE Oc1cc(F)ccc1[C@H]1C[C@H](F)CN1 1952891242 YPQOSJQIKVHQES-IONNQARKSA-N 199.200 1.904 10 10 ADCE C[C@@H](N)[C@@H]1CCCCN1CCN=[N+]=[N-] 1957243211 DGAIJPAQOLPKMU-BDAKNGLRSA-N 197.286 1.498 10 10 ADCE C[C@@H]1COCCN1CCN=[N+]=[N-] 42415931 AUQBFUGQCSRXHW-SSDOTTSWSA-N 170.216 1.017 10 10 ADCE CC(=O)C(Cc1ccccc1)=[N+]=[N-] 62718607 BUMIVEZPKGODRL-UHFFFAOYSA-N 174.203 1.489 10 10 ADCE CSc1ccc(C(=O)C=[N+]=[N-])cc1 78211554 CDSJBHBIIUOSNW-UHFFFAOYSA-N 192.243 1.892 10 10 ADCE Cc1cc(Cc2ccc(N)cc2)[nH]n1 82530033 YDMBUPPIYACUME-UHFFFAOYSA-N 187.246 1.891 10 10 ADCE Cc1ccc(CN)c(O)c1CN(C)C 82894901 WCXZGRLJUYDNGS-UHFFFAOYSA-N 194.278 1.221 10 10 ADCE C[C@@H](N)c1cc(C(=O)O)c(F)cc1O 104516492 OKXSWKSRVOIKJE-SCSAIBSYSA-N 199.181 1.249 10 10 ADCE NCc1sc(C2CC2)cc1O 108288042 WEOXYCFQDNUFLC-UHFFFAOYSA-N 169.249 1.790 10 10 ADCE NCCC1=CC=CCC1=S 116636211 OTJPCEKXUAGPRZ-UHFFFAOYSA-N 153.250 1.591 10 10 ADCE CNCCCc1ccc(N)cc1 167641808 ZFMLLVBCHBKYCJ-UHFFFAOYSA-N 164.252 1.421 10 10 ADCE COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](OC)C1 202448623 PJJPXZIZFAQCON-VQVTYTSYSA-N 199.210 1.263 10 10 ADCE C[C@H]1OC=C[C@@](C)(O)[C@@H]1N=[N+]=[N-] 238495386 JXTJQBXFKXERDL-FSDSQADBSA-N 169.184 1.349 10 10 ADCE Cc1cc([C@H]2CCNC2)cc(O)c1O 258171064 VUQQSYSFYFMCLR-QMMMGPOBSA-N 193.246 1.483 10 10 ADCE C[C@@H]1C[C@@]1(C)C(=O)N1CC(N=[N+]=[N-])C1 1912155700 QVOKDRMYAWEMNY-HZGVNTEJSA-N 194.238 1.554 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@]23CC[C@H]2C3)C1 1935499225 FHRVDBAYISHFGQ-RCOVLWMOSA-N 192.222 1.308 10 10 ADCE CN[C@H](COC)c1cc(C)ccc1O 1951856873 SARXKVLGGZENJJ-SNVBAGLBSA-N 195.262 1.608 10 10 ADCE O=C1CCN[C@@H]1c1cc(F)ccc1O 1951870652 GPYYSLHLKHVWEI-SNVBAGLBSA-N 195.193 1.135 10 10 ADCE [N-]=[N+]=NCCCN1CCN[C@@H]2CC[C@@H]21 1957243216 DHLRVFWYZBKVAX-BDAKNGLRSA-N 195.270 1.123 10 10 ADCE CCOc1cc(O)c(O)cc1N 2055136267 KDLLWROSHDJVDC-UHFFFAOYSA-N 169.180 1.079 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@@H]2CNC[C@H]2O1 2242180187 ALBNQYBYZDTJGU-GJMOJQLCSA-N 182.227 1.064 10 10 ADCE [N-]=[N+]=NCc1cnccn1 5045522 VHIWZNBMMQUAQL-UHFFFAOYSA-N 135.130 1.287 10 10 ADCE C[C@@H]1CCN(c2ccc(CN)cc2)C1 40716728 NIOQLNOOSRHVFF-SNVBAGLBSA-N 190.290 1.992 10 10 ADCE COc1c(CN)c(O)cc2occc12 82891972 QFBWZSIOYKYCCT-UHFFFAOYSA-N 193.202 1.606 10 10 ADCE C[C@H](N=[N+]=[N-])[C@H](C)C(=O)O 86309003 XAJCOOLVJPADJQ-IMJSIDKUSA-N 143.146 1.406 10 10 ADCE Oc1csc2c1CCCNC2 106838540 KIBMZPOSTKKNMX-UHFFFAOYSA-N 169.249 1.490 10 10 ADCE COc1cc(C)cc2c1C(=O)CC2=O 139870049 XWQLNYZYNPWSJM-UHFFFAOYSA-N 190.198 1.773 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCO1 147349083 MUAOJQFKVTWEDJ-YFKPBYRVSA-N 127.147 1.476 10 10 ADCE Nc1ccc2c(O)nc(O)cc2c1 149259777 QKLFONKGBAEBGA-UHFFFAOYSA-N 176.175 1.228 10 10 ADCE CCC[C@H](N)c1cc(N)c(F)cc1O 211715503 WENJZPGLRRYMPB-QMMMGPOBSA-N 198.241 1.913 10 10 ADCE [N-]=[N+]=NCCN(CCO)C1CCC1 228514010 SPAZNTULTXYBDZ-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE CC(C)C(=O)c1cc(O)c(O)cc1O 238204092 NMCZDSJSEJNVKK-UHFFFAOYSA-N 196.202 1.642 10 10 ADCE C[C@H](CN(C)C)N=[N+]=[N-] 238452282 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1.108 10 10 ADCE Oc1ccccc1Cn1cncn1 15772283 CHJKPKZVPNPXEO-UHFFFAOYSA-N 175.191 1.032 10 10 ADCE COCCOCCc1ccc(N)cc1 35677334 UNCSRCRVUIQUJR-UHFFFAOYSA-N 195.262 1.474 10 10 ADCE CCOC(=O)NCc1ccccc1O 82276725 YJCSOYYXBWMSON-UHFFFAOYSA-N 195.218 1.638 10 10 ADCE NC1(c2ccc(O)cc2O)CCC1 82871281 DVCWJZPDCGIJDR-UHFFFAOYSA-N 179.219 1.436 10 10 ADCE Cc1ccc(C)c([C@@H](N)CCO)c1O 82907440 SKJZOQFVJSLTNO-VIFPVBQESA-N 195.262 1.391 10 10 ADCE C[C@@H](N)c1ccc(CC(=O)O)cc1O 104507340 OPRIPKIJBYLDTP-ZCFIWIBFSA-N 195.218 1.039 10 10 ADCE Nc1ccc(N2C[C@@H]3C[C@H]2CO3)cc1 224803126 NEJJTLIPQFAHJX-QWRGUYRKSA-N 190.246 1.246 10 10 ADCE CC(=O)C(=O)[C@H]1CC=CCC1 238045689 BFLGDIATZLRFSD-QMMMGPOBSA-N 152.193 1.501 10 10 ADCE C[C@@]1(N=[N+]=[N-])O[C@H]2CC[C@H]2O1 306411289 NCFALWLANVYFFH-FMCRUOTFSA-N 155.157 1.548 10 10 ADCE Nc1c(F)ccc([C@H](N)CF)c1O 306701153 KGELKWQZSKYUOG-ZCFIWIBFSA-N 188.177 1.083 10 10 ADCE CNC(C)(C)c1ccc(O)cc1O 1535737634 RYZWFHLTXRYKIZ-UHFFFAOYSA-N 181.235 1.552 10 10 ADCE 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185.183 1.016 10 10 ADCE CC[C@H](CCO)Nc1ccc(N)cc1 123501635 ZZLOVWVUPXDKKX-SNVBAGLBSA-N 194.278 1.842 10 10 ADCE Cc1cc(F)c(C)c([C@@H](N)CO)c1O 214975334 MPTRWMLZQGFXEK-QMMMGPOBSA-N 199.225 1.140 10 10 ADCE CC(C)(CC[C@@H](O)CO)N=[N+]=[N-] 238101743 OWOOGLLWRHIWDD-ZCFIWIBFSA-N 173.216 1.209 10 10 ADCE CC(C)Oc1ccc(CN)c(O)c1 238153661 DSZKPXXEKKJBEO-UHFFFAOYSA-N 181.235 1.638 10 10 ADCE Cc1onc(N=NN(C)C)c1C(=O)O 256011469 XOOXYWYHKWKSJI-UHFFFAOYSA-N 198.182 1.242 10 10 ADCE c1csc(SC[C@H]2CCN2)n1 722141606 BTRYXUOYSAHGIP-ZCFIWIBFSA-N 186.305 1.597 10 10 ADCE C[C@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 1882184570 BQCGFZVHGXIWBB-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE CC(C)[S@](C)(=O)=NCCN=[N+]=[N-] 1912184128 WKQSCDZEGJKZFI-LBPRGKRZSA-N 190.272 1.803 10 10 ADCE [N-]=[N+]=NC[C@H]1NCCn2cccc21 1912195791 HBFUSZLELUHVSE-SSDOTTSWSA-N 177.211 1.443 10 10 ADCE CC(=O)C(=O)c1cnc(C)s1 1951322543 LGVFHWGTCDDJRR-UHFFFAOYSA-N 169.205 1.223 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1cccc(N)c1 1954081538 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CN(CCN=[N+]=[N-])[C@@H]1CCC[C@@]1(C)O 1934423793 NKCXFWZPJAGMHB-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE Cc1cccc(N)c1N[C@@H]1CC[C@H]1O 1955651146 XUQCLIFOQMMETK-NXEZZACHSA-N 192.262 1.512 10 10 ADCE CSc1cc(F)cc(O)c1O 2060131034 XFDBRNCHGUIQAI-UHFFFAOYSA-N 174.196 1.959 10 10 ADCE CCc1cc(O)c(O)s1 2080408358 IGALMWSHVHHQBV-UHFFFAOYSA-N 144.195 1.722 10 10 ADCE C[C@@H](O)/C=C\c1ccc(O)c(O)c1 13339809 IETUJSYZCNZPKR-SKRYNEFJSA-N 180.203 1.492 10 10 ADCE ONCc1ccc(N2CCCC2)cc1 82891470 KBTAQEHNODCGRH-UHFFFAOYSA-N 192.262 1.766 10 10 ADCE CNCc1cc(F)cc(Cl)c1O 107350585 NXJRLWAPVLWZLZ-UHFFFAOYSA-N 189.617 1.904 10 10 ADCE COc1ccc(N(C)C2CC2)c(N)c1 124992648 AYDQZEXVDUOPNB-UHFFFAOYSA-N 192.262 1.876 10 10 ADCE CN1CCc2c1ccc(O)c2O 212210815 NBDVWDVLNRYKCZ-UHFFFAOYSA-N 165.192 1.090 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CC[C@H](O)C1 238694892 DXOADGNGPZYTIT-BQBZGAKWSA-N 155.201 1.848 10 10 ADCE Oc1ccc(F)c(CC2(O)CC2)c1O 258214367 ZUOQDFIBVLSXAC-UHFFFAOYSA-N 198.193 1.304 10 10 ADCE 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10 10 ADCE CC(=O)C(=O)C1(O)C[C@H]2CCC[C@@H]2C1 1934804879 XHMGGYBWQMKAOV-RKDXNWHRSA-N 196.246 1.086 10 10 ADCE CC(C)[C@@H](O)CCN=[N+]=[N-] 1951351280 WWTDJTNFEFQNIN-LURJTMIESA-N 143.190 1.704 10 10 ADCE COc1cc(OC)c(CN=[N+]=[N-])cn1 1951386158 RAIXGPLJGHTBEN-UHFFFAOYSA-N 194.194 1.909 10 10 ADCE O=C1CC(c2cccc(O)c2O)C1 1951870843 WZJXREZENNQLDK-UHFFFAOYSA-N 178.187 1.544 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@]2(CCO2)CC[C@@H]1O 2209237313 FIXNAJGTSIQWOY-GJMOJQLCSA-N 183.211 1.369 10 10 ADCE Cc1cc([N+](=O)[O-])cc(O)c1O 13586825 VZDSEMYVKHLPLX-UHFFFAOYSA-N 169.136 1.314 10 10 ADCE COc1cccc(O)c1[C@@H](C)N 34334225 RAUUSAQUBYOICH-ZCFIWIBFSA-N 167.208 1.421 10 10 ADCE CNCc1cc(C)cc(C)c1O 96862340 PWCOYMGJYXAIQW-UHFFFAOYSA-N 165.236 1.728 10 10 ADCE O=C(O)CC(=S)c1ccco1 147803020 NSYHRAQKJNMUCE-UHFFFAOYSA-N 170.189 1.472 10 10 ADCE C[C@]1(N=[N+]=[N-])CCC[C@@H]1O 196693532 ZKPWWVPPIZXBSE-WDSKDSINSA-N 141.174 1.600 10 10 ADCE [N-]=[N+]=NCCCON=O 211850224 OCYAKCTVYAUETP-UHFFFAOYSA-N 130.107 1.385 10 10 ADCE C[C@@H]1CN(C)CCN1CCCN=[N+]=[N-] 235474533 NWJLRZVBQHQZKQ-SECBINFHSA-N 197.286 1.323 10 10 ADCE Cc1cccc(O)c1[C@@H]1COCCN1 238536554 QHLLFOQFPSRZTA-VIFPVBQESA-N 193.246 1.362 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H]2CCN1C2 238600291 INBMXVCHBDMKPN-NTSWFWBYSA-N 138.174 1.348 10 10 ADCE C[C@@]1(c2c(O)cccc2O)CCCN1 258186744 WXZQRCQUWRBTEM-NSHDSACASA-N 193.246 1.696 10 10 ADCE C[C@@H]1CCCN(CCN=[N+]=[N-])[C@@H]1CO 688705562 QGNHHOIZCSDNSQ-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H]1CCCSC1 1535657302 XTJTWPLHKBYHJM-BQBZGAKWSA-N 187.268 1.801 10 10 ADCE CCn1ccnc1[C@H](CO)N=[N+]=[N-] 1535766089 GMBWNNSLVIHROX-LURJTMIESA-N 181.199 1.247 10 10 ADCE CC(C)(C(F)F)[C@@H](O)CN=[N+]=[N-] 1881224256 GADVEIYAQVCJKG-BYPYZUCNSA-N 179.170 1.949 10 10 ADCE CO[C@@H]1C[C@H]1CN(C)CCCN=[N+]=[N-] 1887359236 DLSRSDJPLVSLPN-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)[C@H]1CCC1(C)C 1887663858 KIDBUZSSPUTIGK-KWQFWETISA-N 198.262 1.332 10 10 ADCE C[C@@H]1C[C@@H](N)CN1c1ccc(N)cc1 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ADCE CCN(CCCO)CCCN=[N+]=[N-] 124644022 NSQQJHGXRFTWBZ-UHFFFAOYSA-N 186.259 1.391 10 10 ADCE [N-]=[N+]=N[C@H]1CS(=O)(=O)C=C1Cl 196879467 VUENJQUJIJNTLT-BYPYZUCNSA-N 193.615 1.174 10 10 ADCE Nc1ccc(N2C[C@@H]3C[C@H]3C2=O)cc1 213343280 PYPDORSLKLMUJR-OIBJUYFYSA-N 188.230 1.252 10 10 ADCE CN1CCc2ccc(C=O)c(O)c2C1 213528120 BMEPJTXDWGOMHO-UHFFFAOYSA-N 191.230 1.193 10 10 ADCE CC(=O)O[C@H]1CC[C@H]1N=[N+]=[N-] 238097527 NURZBTURZKAROH-RITPCOANSA-N 155.157 1.391 10 10 ADCE CCOc1cnn(CCCN=[N+]=[N-])c1 379489327 NHTXSWVQRWJHEB-UHFFFAOYSA-N 195.226 1.982 10 10 ADCE CCOC(=O)[C@H]1C[C@H](N=[N+]=[N-])CCO1 1857784276 BKXFWKSXXKZOTP-RNFRBKRXSA-N 199.210 1.407 10 10 ADCE Oc1ccc(F)cc1CN[C@@H]1C[C@@H]1F 1887538683 WSABVOOYYZJDTR-DTWKUNHWSA-N 199.200 1.731 10 10 ADCE CC(=O)C(=O)C1(O)C[C@H]2CC[C@@H](C2)C1 1929193216 MSYQDJQYUVSQPX-IUCAKERBSA-N 196.246 1.086 10 10 ADCE CCC[C@](O)(C(=O)C(C)=O)C1CC1 1929209216 SLOAPCAIESCPGV-SNVBAGLBSA-N 184.235 1.086 10 10 ADCE Cc1ccncc1[C@@H](O)CN=[N+]=[N-] 1954461771 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CC(=O)NC(C)(C)CN=[N+]=[N-] 238069712 UXPNQMWBQMLDFS-UHFFFAOYSA-N 156.189 1.211 10 10 ADCE C[C@H](CN=[N+]=[N-])N(C)C 238415643 KURRAXQVQVNVBS-RXMQYKEDSA-N 128.179 1.247 10 10 ADCE COC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 885449431 FHAJWJSFONFTOH-LURJTMIESA-N 184.199 1.385 10 10 ADCE O=C(O)CN=NNc1ccccc1F 1860490829 ZBGPBXAKZNCPGZ-UHFFFAOYSA-N 197.169 1.689 10 10 ADCE CC[C@@H](CN)Nc1ccc(N)cc1 1883133064 AKPIAEQDIKZHPL-VIFPVBQESA-N 179.267 1.418 10 10 ADCE [N-]=[N+]=NCCCCn1ncccc1=O 1912160080 QCTCBAHWXDFGTM-UHFFFAOYSA-N 193.210 1.334 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)OC2CCC2)C1 1912166188 UDLDGIIAPPBNQG-UHFFFAOYSA-N 196.210 1.670 10 10 ADCE CC(=O)C(=O)[C@H](F)C(F)(F)F 1951724673 VXDIFNWAYVTNDA-BYPYZUCNSA-N 172.077 1.045 10 10 ADCE C[C@H](N)c1cccc(O)c1O 38881981 ZJUJGYBNARNPJZ-YFKPBYRVSA-N 153.181 1.118 10 10 ADCE CN(CCN=[N+]=[N-])Cc1cscn1 42867695 PKBQOPPQIIFWFF-UHFFFAOYSA-N 197.267 1.885 10 10 ADCE CC(=O)C(=O)c1ccc(F)cc1F 58520257 FALAOAWGJLLWLQ-UHFFFAOYSA-N 184.141 1.737 10 10 ADCE C[C@@H](CCO)CNc1ccc(N)cc1 85125627 UAKMZHAWQMMAQJ-VIFPVBQESA-N 194.278 1.699 10 10 ADCE CC(C)(CO)[C@H](N)c1ccccc1O 95672107 PLDBMPRVTIXPIL-SNVBAGLBSA-N 195.262 1.411 10 10 ADCE CN[C@H](C)c1cccc(OC)c1O 104521861 UDIIVLAITWMLSN-SSDOTTSWSA-N 181.235 1.681 10 10 ADCE CN(CN=[N+]=[N-])c1ccncc1 140160126 CWJYGZUDIFEMRE-UHFFFAOYSA-N 163.184 1.786 10 10 ADCE C[C@H](N=[N+]=[N-])C1=NOCCO1 197117735 ZPKMMFAUILSJOC-BYPYZUCNSA-N 156.145 1.046 10 10 ADCE [N-]=[N+]=NCCCN1CCN2CC[C@H]1C2 381712382 RXTMPASSGPHFLS-VIFPVBQESA-N 195.270 1.077 10 10 ADCE CC(F)(F)CN=[N+]=[N-] 575453951 NZJWQLUPJCTONM-UHFFFAOYSA-N 121.090 1.952 10 10 ADCE NCc1ccc(N2CC[C@@H]3C[C@@H]32)cc1 707075636 RATKDNXNPMVZDZ-PWSUYJOCSA-N 188.274 1.744 10 10 ADCE CC(C)[C@@H]1CN[C@H](CN=[N+]=[N-])OC1 885456491 ZXUOGGCGJSXYII-SFYZADRCSA-N 184.243 1.515 10 10 ADCE COc1ccc(N2CC(O)C2)c(C)c1 1149532322 OAHHNGYQXKFHPK-UHFFFAOYSA-N 193.246 1.185 10 10 ADCE C[C@H](O)c1ccc(O)c(CN(C)C)c1 1535713442 LCXFBXOMQSYTDA-QMMMGPOBSA-N 195.262 1.507 10 10 ADCE CNC(C)(C)c1cc(OC)ccc1O 1535716278 SWRIPKVREHPZMS-UHFFFAOYSA-N 195.262 1.855 10 10 ADCE Cc1ccc(O)c(C2(N)CC(O)C2)c1 1535731447 WQLCETLKBVRMRA-UHFFFAOYSA-N 193.246 1.009 10 10 ADCE CC1=NN(C)C(=O)/C1=C/c1ccco1 1865671490 FDRHBAPAGJUJQW-RMKNXTFCSA-N 190.202 1.511 10 10 ADCE C[C@@H]1CC[C@H](N=[N+]=[N-])C[C@H]1O 1880180674 GWHATDLBIHCBRA-DSYKOEDSSA-N 155.201 1.846 10 10 ADCE C[C@]1(CN)CCCN1CCN=[N+]=[N-] 1882513747 WDEUPUHCNXQMMB-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE CC[C@@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 1885288825 YCZVFANWRDWSJR-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE CC[C@H]1CNC[C@@H]1N=[N+]=[N-] 1892867331 QWSPMFULLJCLIU-WDSKDSINSA-N 140.190 1.295 10 10 ADCE C[C@H](CO)CN1CCC[C@H](N=[N+]=[N-])C1 1912200880 MRVYGWRSQQDCKO-IUCAKERBSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)c1cc(C)oc1C 1951322356 CVWXCWCKBUTMJD-UHFFFAOYSA-N 166.176 1.668 10 10 ADCE COC1(CN=[N+]=[N-])CC1 1953133947 AZEVHFAKPAGRPE-UHFFFAOYSA-N 127.147 1.476 10 10 ADCE CC1(C)CO[C@@H]1CN=[N+]=[N-] 1953185258 PQJYGCKEPIMWGL-RXMQYKEDSA-N 141.174 1.722 10 10 ADCE C[C@H]1CC(=O)N(CCN=[N+]=[N-])[C@@H]1C 1954054386 SBRSNQWQXMQNHG-NKWVEPMBSA-N 182.227 1.554 10 10 ADCE CCN(CCCN=[N+]=[N-])C[C@H](C)N 1954208539 ORYRPPBJFSDICO-QMMMGPOBSA-N 185.275 1.356 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CC[C@]2(N)C1 1957249237 JIWIQEQKJFNWQW-IUCAKERBSA-N 195.270 1.110 10 10 ADCE N[C@H](CC(=O)O)c1c(O)cccc1F 2586175 LPSGKTWHJCJEPX-ZCFIWIBFSA-N 199.181 1.006 10 10 ADCE CN(C)c1ccc(/C=C\CO)cc1 13551401 PGYXGFIMMYWQSC-ARJAWSKDSA-N 177.247 1.758 10 10 ADCE C[C@H]1C[C@@H](C)/C(=C\O)C(=O)O1 100210689 UCHNQCZZNJNGLD-GMXKDWQNSA-N 156.181 1.400 10 10 ADCE CCNC(=O)c1ccc(C)c(O)c1O 202837594 BTCQGTSYOKLWTL-UHFFFAOYSA-N 195.218 1.156 10 10 ADCE CCOC(=O)/C=C(/CN=[N+]=[N-])OC 226001894 YWAAVIURVDBMHV-XQRVVYSFSA-N 185.183 1.390 10 10 ADCE CC[C@H](N)c1cc(N)cc(C)c1O 238313462 OIJMGEWIUORNDH-VIFPVBQESA-N 180.251 1.693 10 10 ADCE COC[C@H](N)c1ccc(OC)cc1O 238363815 JVZOWKJXWIBVRR-VIFPVBQESA-N 197.234 1.047 10 10 ADCE NC(=O)c1sc2ncccc2c1O 307039362 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195.262 1.777 10 10 ADCE C/C(=C\[C@@H](C)N=[N+]=[N-])CO 306778499 QPTHROPZCIAWSV-MXTDHUQFSA-N 141.174 1.624 10 10 ADCE C[C@H](N(C)CCN=[N+]=[N-])C(C)(C)O 394839400 DUWHXWQLYWSCGH-ZETCQYMHSA-N 186.259 1.388 10 10 ADCE CCn1nccc1[C@H](CO)N=[N+]=[N-] 1535782128 VBQURQXOQAERDT-LURJTMIESA-N 181.199 1.247 10 10 ADCE C[C@H]1C[C@@]1(F)CN1CC(N=[N+]=[N-])C1 1884224816 NBAQAIKUFGREHQ-POYBYMJQSA-N 184.218 1.729 10 10 ADCE Nc1ccc(CN[C@H]2C[C@@H](F)C2)cc1 1893673467 OCJOCHBIDIUHRH-JGZJWPJOSA-N 194.253 1.859 10 10 ADCE CCC[C@@]1(C)CO[C@@H](CN=[N+]=[N-])N1 1912168446 DLSUSIPVUIWQDS-YUMQZZPRSA-N 184.243 1.801 10 10 ADCE C[C@@H]1C[C@H](O)C[C@H](N=[N+]=[N-])C1 1953360489 JSQHGVDRSBHRDM-XVMARJQXSA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NCc1nccc(N)c1F 1953644868 YXDJSGHITYEMJP-UHFFFAOYSA-N 167.147 1.613 10 10 ADCE CC(=O)C(=O)CC(=O)C1CCCC1 1954806342 FDCYJNLTCHKHAL-UHFFFAOYSA-N 182.219 1.294 10 10 ADCE [N-]=[N+]=NCCCCN1CCO[C@@H]2C[C@@H]21 1956881628 DGXCANXWHOJGAY-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE C[C@H]1CNCC[C@@H]1N(C)CCN=[N+]=[N-] 1957249610 LTCNZQVMPRWGTC-IUCAKERBSA-N 197.286 1.227 10 10 ADCE CCC[C@@H](CC)[C@H](O)C(=O)C(C)=O 2242050238 PIJAYRAUILEVMT-SCZZXKLOSA-N 186.251 1.332 10 10 ADCE [N-]=[N+]=NC[C@@H](O)CN1CCCCC1 34290748 WFBIERASOGNZFL-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE C[C@H]1CCN[C@@H]1c1ccc(O)c(O)c1 82388159 KDAZDPGVOAIHTM-CPCISQLKSA-N 193.246 1.768 10 10 ADCE Cc1ccc(O)c([C@](C)(N)CCO)c1 95748342 FYIVTJKGUBOZIR-LLVKDONJSA-N 195.262 1.257 10 10 ADCE Cc1onc(/N=N/N(C)C)c1C(=O)O 100378185 XOOXYWYHKWKSJI-CSKARUKUSA-N 198.182 1.242 10 10 ADCE Nc1ccc(NC2(CO)CC2)cc1 123674721 HDVLCSMQXRLHBK-UHFFFAOYSA-N 178.235 1.206 10 10 ADCE C[C@H]1CCCN(CCCN=[N+]=[N-])C1=O 134098225 AWLUFXKOEIVQGF-QMMMGPOBSA-N 196.254 1.945 10 10 ADCE CCOC(=O)C[C@@H](N=[N+]=[N-])C(C)=O 136840678 FTHUPIUMDIOXJA-ZCFIWIBFSA-N 185.183 1.208 10 10 ADCE in-vitro Oc1cc2c(c(Cl)c1O)CNC2 140582852 SJWMGKZGALRAMK-UHFFFAOYSA-N 185.610 1.354 10 10 ADCE CC[C@H](N)c1c(F)ccc(OC)c1O 211751795 KWTLGMJVRYYBIX-ZETCQYMHSA-N 199.225 1.950 10 10 ADCE CCOc1cccc(O)c1[C@H](C)N 212929472 CLRGCDYRKBPAIJ-ZETCQYMHSA-N 181.235 1.811 10 10 ADCE COc1cc(CN)c(O)cc1Cl 213311524 PHZRBZRXKJCBTC-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](N=[N+]=[N-])C1O 213736746 UYVNWQUPOZUDRP-QWWZWVQMSA-N 168.160 1.499 10 10 ADCE Oc1ccccc1[C@@H]1CC(Cl)=NN1 213980635 LVVNZUJFBJWGMD-ZETCQYMHSA-N 196.637 1.979 10 10 ADCE CC1=NN(C)C(=S)/C1=C\NC(C)C 238173348 ZAYNMDNJACRGGB-YVMONPNESA-N 197.307 1.517 10 10 ADCE Cc1ccc(F)c(O)c1[C@@](C)(N)CO 238490979 JCUICZDYVHZWHI-JTQLQIEISA-N 199.225 1.006 10 10 ADCE Cc1c(C[C@H](C)N)cc(O)c(O)c1C 257987059 FGVBAVMFMUUJDC-LURJTMIESA-N 195.262 1.604 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@H](N)C1 306802871 UPXKFAFGDHNRQQ-RITPCOANSA-N 140.190 1.424 10 10 ADCE C[C@@H]1CN(c2ccc(N)cc2)C[C@H]1O 307594467 IRYXCWCEHWHORF-LDYMZIIASA-N 192.262 1.086 10 10 ADCE NC(N=Nc1ccccc1)=S=O 307893221 ULLOJZJQBRASMF-UHFFFAOYSA-N 181.220 1.029 10 10 ADCE [N-]=[N+]=NCC1CC(N)C1 575464479 USORDMHNTVXFQL-UHFFFAOYSA-N 126.163 1.034 10 10 ADCE CC1(C)CN[C@@H]1CN=[N+]=[N-] 1912195156 XUFWEGPCIRPAFE-RXMQYKEDSA-N 140.190 1.295 10 10 ADCE C[C@H](O)CN(C)CCCCN=[N+]=[N-] 1912207873 YUJPJJKAEQDCIF-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE NN[C@H](c1ccccc1O)C1CCC1 1928481616 YCHCGWFQAYEZAA-NSHDSACASA-N 192.262 1.697 10 10 ADCE CC(=O)C(=O)[C@H](O)CC1CCCCC1 1929170839 WADMWZKQDUZWIQ-SNVBAGLBSA-N 198.262 1.476 10 10 ADCE CCC[C@@](O)(C(=O)C(C)=O)C1CCC1 1929233318 HRSDEQIGAASLCI-NSHDSACASA-N 198.262 1.476 10 10 ADCE CC[C@@H](CO)Nc1ccccc1N 35599996 HJLKJNGCEXBJTQ-QMMMGPOBSA-N 180.251 1.452 10 10 ADCE CCn1cc(CN=[N+]=[N-])cn1 50541123 ZUFYMZYMKVSWPE-UHFFFAOYSA-N 151.173 1.713 10 10 ADCE CN(O)Cc1cc(F)ccc1O 82855400 OHRRWFGXNKLLQX-UHFFFAOYSA-N 171.171 1.352 10 10 ADCE C[C@H](N)c1ccc(F)c(F)c1O 95706453 OWCKQZHQGSLVKY-BYPYZUCNSA-N 173.162 1.690 10 10 ADCE C[C@H](N)c1c(O)cc(F)c(F)c1F 95712273 LWHABDUFGRNHSA-VKHMYHEASA-N 191.152 1.829 10 10 ADCE C[C@@H]1CCCN(CCCN=[N+]=[N-])C1=O 134098033 AWLUFXKOEIVQGF-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE Cc1ccc2c(c1)NC(=O)/C2=C/O 221490142 LCVRMWSMUXULNM-VMPITWQZSA-N 175.187 1.846 10 10 ADCE CCCCNC(=O)/N=N/C(=O)NC 238225435 NANYDEPVDSWGFY-ZHACJKMWSA-N 186.215 1.288 10 10 ADCE CO[C@@H]1C[C@H](N=[N+]=[N-])C(=O)[C@@H](C)O1 238335944 XOXUZMTZDQIEJV-SRQIZXRXSA-N 185.183 1.016 10 10 ADCE CNCc1ccc(N2CCC2)c(C)c1 307145841 JSSZFTBJMLGENX-UHFFFAOYSA-N 190.290 1.925 10 10 ADCE [N-]=[N+]=NCC/C=C\CO 383689643 UTEBUAJPTQWZPX-IWQZZHSRSA-N 127.147 1.235 10 10 ADCE C[C@H]1CNCC/C1=C\c1nccn1C 690647263 MMUGKDOBRGLBAV-HZAKCSEPSA-N 191.278 1.433 10 10 ADCE C=CC(=O)N1CC[C@@H](CN=[N+]=[N-])C1 885377017 QCNJVUREXDSNND-ZETCQYMHSA-N 180.211 1.331 10 10 ADCE COCC1(CN=[N+]=[N-])CC1 1880085071 HWKRHICQBNCCNK-UHFFFAOYSA-N 141.174 1.723 10 10 ADCE CN(C)CCN1CCC[C@@H]1CN=[N+]=[N-] 1885288209 UQWHRZOVXXODCY-SECBINFHSA-N 197.286 1.323 10 10 ADCE CC1(N)CC(Oc2ccc(N)cc2)C1 1896302795 KFNIPARSGHLYTG-UHFFFAOYSA-N 192.262 1.527 10 10 ADCE [N-]=[N+]=NCCn1cnc(C2CCC2)n1 1912153089 DATIKHCJBQJGMP-UHFFFAOYSA-N 192.226 1.856 10 10 ADCE CCCOC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912184216 COBWLOPOUMARCU-SSDOTTSWSA-N 198.226 1.918 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1CC12CCC2 1912186528 FIDVHRJZWRLPRT-SSDOTTSWSA-N 194.238 1.603 10 10 ADCE C[C@@]1(C2CC2)CO[C@H](CN=[N+]=[N-])N1 1912189939 XIMUAFHGIGNCGU-SFYZADRCSA-N 182.227 1.411 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCC[C@H]1C 1929121664 IRRWRYMKJLHGNI-GMSGAONNSA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NC[C@]1(F)CC[C@@H](C(=O)O)C1 1954219428 RAEKHUQXZDJRNE-VDTYLAMSSA-N 187.174 1.890 10 10 ADCE CC(C)[C@H]1CC[C@H](C)C(=O)C1=O 4098379 DIDQHWMZIHCWQH-JGVFFNPUSA-N 168.236 1.827 10 10 ADCE Nc1ccc(O[C@@H]2CCC[C@H]2O)cc1 38055872 XYVNJKSIGABMBM-GHMZBOCLSA-N 193.246 1.561 10 10 ADCE CC1(C)C(=O)C(=O)C1(C)C 39408076 MJPHOVOZASUQHP-UHFFFAOYSA-N 140.182 1.191 10 10 ADCE C[C@H](Sc1nccs1)C(=N)N 49832652 FAXLXIIYTIZAGI-BYPYZUCNSA-N 187.293 1.560 10 10 ADCE CCCN(C)c1ccc(O)c(O)c1 59957664 RFTSXULPCLYVEV-UHFFFAOYSA-N 181.235 1.944 10 10 ADCE CN(C)Cc1ccc2cc[nH]c2c1O 60176339 YVQUBZBGQFTUMO-UHFFFAOYSA-N 190.246 1.935 10 10 ADCE C[C@H]1Cc2cc(O)c(O)cc2N1 117404615 LBXOUAMJMPYLPK-YFKPBYRVSA-N 165.192 1.454 10 10 ADCE COc1ccc(O)c([C@@H](C)NO)c1 132116875 BVYVFMYLHILZAF-ZCFIWIBFSA-N 183.207 1.441 10 10 ADCE C=C=C(CN)c1cccc(O)c1O 139114707 QGVZZOKGEATPRI-UHFFFAOYSA-N 177.203 1.225 10 10 ADCE CC1(C)CC(=O)C(=O)[C@H]2C[C@H]21 238198910 MXWOTXKUMPAXSZ-NTSWFWBYSA-N 152.193 1.191 10 10 ADCE CC[C@@H](N)c1cc(C)cc(N)c1O 238271925 WQXVIBAEUAZOMB-MRVPVSSYSA-N 180.251 1.693 10 10 ADCE COc1ccc(O)c(O)c1F 238378536 ROKSCDMYPAXYNN-UHFFFAOYSA-N 158.128 1.246 10 10 ADCE Cc1cc(N)cc([C@H](N)C(C)C)c1O 238791585 OZBIJOQHMQUZMI-SNVBAGLBSA-N 194.278 1.939 10 10 ADCE CN(C)C(=O)CSCCN=[N+]=[N-] 300890659 UOMXZUAPDDIATJ-UHFFFAOYSA-N 188.256 1.118 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@]12CCC[C@H]1OCC2 1535749178 HUBHCMDZZDYGSU-DJLDLDEBSA-N 197.238 1.617 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC2(CCC2)CN1 1912146171 QAXIXNOOMQPQKH-ZETCQYMHSA-N 166.228 1.829 10 10 ADCE NN[C@@H](c1ccccc1O)C1CCC1 1928481615 YCHCGWFQAYEZAA-LLVKDONJSA-N 192.262 1.697 10 10 ADCE CS[C@H](C)C(=O)NCCN=[N+]=[N-] 1963809885 WZJNHZWCTCKUKX-RXMQYKEDSA-N 188.256 1.164 10 10 ADCE C[C@@H](CN(C)C)CN(C)CCN=[N+]=[N-] 2209424894 YANIKFDIIJWOPH-VIFPVBQESA-N 199.302 1.426 10 10 ADCE NC[C@H]1CCCc2cc(O)c(O)cc21 28772297 IWNZLZJKPLGDKQ-MRVPVSSYSA-N 193.246 1.476 10 10 ADCE C[C@@H]1O[C@@H]1C(C)(C)N=[N+]=[N-] 39132235 NNEZRQIKYAZODJ-WHFBIAKZSA-N 141.174 1.863 10 10 ADCE Cc1scc(O)c1C(=O)O 59750844 HHMJJWLWXKIRLR-UHFFFAOYSA-N 158.178 1.460 10 10 ADCE Oc1cccc(F)c1[C@H]1CCCN1 72201549 CSOQXPIFZIKVOB-MRVPVSSYSA-N 181.210 1.956 10 10 ADCE C[C@](N)(CCO)c1ccc(F)cc1O 95758763 SZLZSKINBWIPKP-JTQLQIEISA-N 199.225 1.088 10 10 ADCE Nc1ccc(N2CCC(N)CC2)cc1 142567819 ZHCAUWWZBQLKFB-UHFFFAOYSA-N 191.278 1.196 10 10 ADCE Oc1c(F)cc(F)c(F)c1O 142781743 UYCQZXVUPXLFMN-UHFFFAOYSA-N 164.082 1.515 10 10 ADCE COC(=O)c1cc(C)c(O)c(O)c1 145193707 CKXDIEXWUOCEOE-UHFFFAOYSA-N 182.175 1.193 10 10 ADCE CC(C)(C)C/N=N/CO 163880112 XUDLRRAELOVQGB-BQYQJAHWSA-N 130.191 1.435 10 10 ADCE Cc1nn(C)c(C)c1[C@@H](O)CN=[N+]=[N-] 215852945 FORQTNYSVGQSRP-ZETCQYMHSA-N 195.226 1.381 10 10 ADCE COC[C@@H](N)c1cc(S)ccc1O 238377627 MWQOAHMROBXFHZ-MRVPVSSYSA-N 199.275 1.327 10 10 ADCE C[C@H](O)[C@@H]1Nc2ccccc2N[C@@H]1C 238478098 RDQDOCAFLGVOQJ-VHSKPIJISA-N 192.262 1.662 10 10 ADCE Cc1ccc(C[C@H](C)N)c(O)c1O 258039748 QCLJXOHPYMARAD-ZETCQYMHSA-N 181.235 1.296 10 10 ADCE CONCc1c(O)ccc(C)c1F 258140900 SLNFHBKPFGVWBR-UHFFFAOYSA-N 185.198 1.491 10 10 ADCE Nc1c(F)ccc([C@@H]2CCN2)c1O 306627631 ZRYPIQAFZAUHDR-ZETCQYMHSA-N 182.198 1.148 10 10 ADCE C[C@@H]1C[C@H](N(C)CCN=[N+]=[N-])CCO1 721464839 LVQLROWROHIJCV-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)C2(F)CC2)C1 1884203516 XMTCOUKSEFPTFY-UHFFFAOYSA-N 184.174 1.010 10 10 ADCE CCCOC[C@H](N)c1ccccc1O 1928469867 AANTZTJRGUFEHV-JTQLQIEISA-N 195.262 1.819 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ncccc1O 1951476504 ISMGSJQFGRYOLE-RXMQYKEDSA-N 180.167 1.131 10 10 ADCE CN[C@H](CF)Cc1ccc(O)c(O)c1 1952585931 HAGQQTQLPWCVDY-QMMMGPOBSA-N 199.225 1.198 10 10 ADCE CN1CCN(CCN=[N+]=[N-])[C@H]2CC[C@@H]21 1956640037 YBAFVIDTTFAAIU-IUCAKERBSA-N 195.270 1.075 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@H]1CCN 1957245537 YHLXVQVYYQTUFT-VIFPVBQESA-N 197.286 1.500 10 10 ADCE C[C@@H](O)CN(C)c1ccc(N)cc1 51819566 OPBIJZZLCWOWFJ-MRVPVSSYSA-N 180.251 1.086 10 10 ADCE CSc1ccc(O)c([C@H](N)CO)c1 72197870 XTXQMSMDITWIDH-MRVPVSSYSA-N 199.275 1.106 10 10 ADCE O=C(O)C(=S)Cc1ccc[nH]1 80774305 QOFGULGSQIOYJS-UHFFFAOYSA-N 169.205 1.012 10 10 ADCE CCNCc1cccc(C)c1O 83339804 GCONZGSAQKVNOH-UHFFFAOYSA-N 165.236 1.810 10 10 ADCE NCc1cc(-c2cc[nH]n2)ccc1O 84250384 DUMBEZACUJGUMM-UHFFFAOYSA-N 189.218 1.241 10 10 ADCE CCCC(=O)C(=O)CC(C)C 113141846 NWMDACABALUDMD-UHFFFAOYSA-N 156.225 1.971 10 10 ADCE [N-]=[N+]=CC(=O)c1nccc2ccccc12 168066471 LWGACRBTZUYAEP-UHFFFAOYSA-N 197.197 1.718 10 10 ADCE C[C@@H](N)c1sc2ccn(C)c2c1O 211495664 OHQBKIIRWFUXIO-RXMQYKEDSA-N 196.275 1.965 10 10 ADCE N[C@]1(c2ccccc2O)C[C@@H]1C1CC1 213407949 YWBKTZHVBAIJQR-PWSUYJOCSA-N 189.258 1.976 10 10 ADCE Oc1ccc(O)c([C@@H]2CCCN2)c1F 214874433 DUMDWOQGYLFFGZ-LURJTMIESA-N 197.209 1.661 10 10 ADCE Cc1ccc2cc(O)c(O)cc2n1 238526660 CQDKSBNSEFMYSJ-UHFFFAOYSA-N 175.187 1.954 10 10 ADCE COC[C@@H]1CNCc2c(O)cccc21 257818320 FCQNDMOGTDSHQB-QMMMGPOBSA-N 193.246 1.225 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@@H](N=[N+]=[N-])[C@@H]1O 307159627 UYVNWQUPOZUDRP-SCDXWVJYSA-N 168.160 1.499 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCCC12COC2 757215256 ZODZXTCZJMFVDH-LURJTMIESA-N 169.184 1.102 10 10 ADCE Nc1ccc(N2CC[C@H]2CF)cc1 1882568545 JGTITGMMDGPZKO-JTQLQIEISA-N 180.226 1.817 10 10 ADCE C[C@H](CN1CC[C@@H](N=[N+]=[N-])C1)N(C)C 1884947741 VDNKNIVWZOEUAG-RKDXNWHRSA-N 197.286 1.321 10 10 ADCE CN(CCCCCN)CCCN=[N+]=[N-] 1886195060 ROVYDKRDJKNPDD-UHFFFAOYSA-N 199.302 1.748 10 10 ADCE [N-]=[N+]=NC1CCN(CCC(=O)O)CC1 1912192256 CLGHWUKJKMNOGG-UHFFFAOYSA-N 198.226 1.236 10 10 ADCE Oc1ccc([C@@H]2NCC[C@@H]2F)c(O)c1 1952792179 GGFPUKIRKOVGEW-WPRPVWTQSA-N 197.209 1.470 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2CC[C@H]1O2 1953217106 MEIIRNFUBYQCRY-LYFYHCNISA-N 153.185 1.864 10 10 ADCE Cc1ccc([C@H](C)N)c(O)c1 20083488 YFCQLDACTNMCAO-ZETCQYMHSA-N 151.209 1.720 10 10 ADCE CC(C)N(CCCO)CCN=[N+]=[N-] 42513966 ZHAVLVKHRGCIQP-UHFFFAOYSA-N 186.259 1.390 10 10 ADCE [N-]=[N+]=N[C@H](CCCC(=O)O)C(=O)O 59709656 XHWQJXJAVSHKOI-SCSAIBSYSA-N 187.155 1.005 10 10 ADCE [N-]=[N+]=NCCc1cccnc1 63223433 PYCQVWRSCRBIGA-UHFFFAOYSA-N 148.169 1.934 10 10 ADCE COC(=O)[C@H](C)[C@@H](C)N=[N+]=[N-] 86308992 IJXRQPANLOOEMG-RFZPGFLSSA-N 157.173 1.494 10 10 ADCE N[C@@H](c1cc(O)ccc1O)C1CCC1 95659867 MAGSIJAKDOHWDR-LLVKDONJSA-N 193.246 1.898 10 10 ADCE CCN1C(=O)/C(=C\O)c2ccccc21 103951825 IBOFTICVBLSLQF-CLFYSBASSA-N 189.214 1.952 10 10 ADCE O=C1CCC2(CCCC2)CC1=O 149731353 PLFNWKLKWKTSPH-UHFFFAOYSA-N 166.220 1.869 10 10 ADCE Oc1cc2c(cc1O)NCCC2 165133149 ZULAKWZOLMFRLJ-UHFFFAOYSA-N 165.192 1.456 10 10 ADCE C[C@H]1NCCc2ccc(N)c(O)c21 212774061 IPDICWXVVZDHMO-ZCFIWIBFSA-N 178.235 1.181 10 10 ADCE CO[C@@H]1CCN(CCCN=[N+]=[N-])C1 234827610 BKYPLOBKXNUIPW-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE Cc1noc(-c2ccc(O)c(O)c2)n1 235969019 CMEVJYDSHNOEJZ-UHFFFAOYSA-N 192.174 1.456 10 10 ADCE Cc1cc(O)c2c(c1N)CC[C@@H]2N 238492753 QUEYEPOQZWSNCG-ZETCQYMHSA-N 178.235 1.229 10 10 ADCE Nc1ccc(F)c(C2(N)CC2)c1O 238644468 YPHSKNDCYIWDGQ-UHFFFAOYSA-N 182.198 1.061 10 10 ADCE [N-]=[N+]=N[C@@H](CO)C1CCOCC1 1535792151 HOZKLDDZQKNENW-ZETCQYMHSA-N 171.200 1.084 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1955369113 APEYEGCKSAEIPC-NGJRWZKOSA-N 192.222 1.164 10 10 ADCE C[N+](C)(C)Cc1cccc(O)c1O 6068165 WVUCCYPTKSKWSY-UHFFFAOYSA-O 182.243 1.304 10 10 ADCE CC[C@H](C)[S@](=O)CCN=[N+]=[N-] 42416624 KSMBKBOMTXIURA-KGFZYKRKSA-N 175.257 1.844 10 10 ADCE C[C@@H]1C[C@H]1NCc1ccc(O)cc1O 52271462 MLZJUBBKSAROSP-GMSGAONNSA-N 193.246 1.596 10 10 ADCE Oc1ccc([C@H]2CCCCN2)c(O)c1 82892663 WQIFZXLRCMKYLW-SNVBAGLBSA-N 193.246 1.912 10 10 ADCE Oc1c(F)cccc1[C@H]1COCCN1 82909973 FMKUGJJZRPPYHO-SECBINFHSA-N 197.209 1.192 10 10 ADCE C[C@@]1(c2ccccc2O)COCCN1 83341929 KWZWSQPMVXZCEA-NSHDSACASA-N 193.246 1.227 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]1C(=O)O 90366817 ATLVSQGMSHJMOZ-IMJSIDKUSA-N 141.130 1.017 10 10 ADCE Oc1cccc(CF)c1O 167934018 MVXOLRCORQOECU-UHFFFAOYSA-N 142.129 1.567 10 10 ADCE CC(C)c1cc(O)c(O)c(C(=O)O)c1 169150400 LSTBDNHEYILKFO-UHFFFAOYSA-N 196.202 1.919 10 10 ADCE O=C1CCN[C@H](c2ccccc2O)C1 209456829 KIRUJPAGLLIWIT-JTQLQIEISA-N 191.230 1.386 10 10 ADCE CC(C)(C)N1CC(N=[N+]=[N-])(C(=O)O)C1 238090020 QTQXEMRQQLISMH-UHFFFAOYSA-N 198.226 1.234 10 10 ADCE CCOC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 238286062 XRVIQCFEXLUCPZ-NKWVEPMBSA-N 198.226 1.964 10 10 ADCE COc1ccc(N(C)[C@H](C)CO)cc1 238361592 KIIDGPBKOFJHAI-SECBINFHSA-N 195.262 1.512 10 10 ADCE COc1cc(O)c(O)cc1C(C)=O 238392663 VZSJOOOVYLSXSX-UHFFFAOYSA-N 182.175 1.309 10 10 ADCE COC1=CC=C/C(=C(/O)N=N)N1 306217850 KOAFXAXQGWVFBE-KUQLNKDHSA-N 167.168 1.392 10 10 ADCE CC[C@@H](NC(=N)N)c1ccccc1O 306582847 PLDGYWPOGKDPMK-MRVPVSSYSA-N 193.250 1.326 10 10 ADCE CCCONCc1ccc(O)c(O)c1 315233063 PLCRWZHHOCKPHQ-UHFFFAOYSA-N 197.234 1.529 10 10 ADCE OCCN=NC1CCCCC1 393636119 NEDPPPROEOHBHN-UHFFFAOYSA-N 156.229 1.764 10 10 ADCE Cn1ccc2sc([C@@H](N)CN)cc21 606591901 QWWYVLMMQVMTET-LURJTMIESA-N 195.291 1.198 10 10 ADCE [N-]=[N+]=NCCn1cc(F)cn1 1880467428 AYQXJHAUIWWATD-UHFFFAOYSA-N 155.136 1.333 10 10 ADCE Cc1cccc([C@@H]2NCC[C@H]2O)c1O 1952070148 LCRMTSUEVZYHQE-ZJUUUORDSA-N 193.246 1.096 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2C=C[C@@H]1C2 1954829045 XOUPUZQFVVLIFQ-DTWKUNHWSA-N 178.239 1.947 10 10 ADCE C[C@@H](N)[C@@H]1CCCN(CCN=[N+]=[N-])C1 1957244249 OFOPGTFFFILBAO-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NC[C@@H](F)[C@H]1CCOC1 2208973681 CKVKMHGYFQVUMT-NTSWFWBYSA-N 159.164 1.671 10 10 ADCE CO[C@H]1C[C@@H]2[C@H]1CCN2CCN=[N+]=[N-] 2297078380 UTSUJIYNXBTRNE-HLTSFMKQSA-N 196.254 1.406 10 10 ADCE Cc1cccc(Cn2cncn2)c1O 5419620 BIOMMTISCJYERV-UHFFFAOYSA-N 189.218 1.340 10 10 ADCE C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](C)N1 71485101 KOGYNXRFBISGEZ-RNFRBKRXSA-N 193.246 1.693 10 10 ADCE ONCc1c(O)cc(F)cc1F 214090823 AJTOSZNKOBYSBV-UHFFFAOYSA-N 175.134 1.149 10 10 ADCE C=Cc1ccc(O)c2c1CC[C@@H]2N 238616510 HFKNBDYCFBYQPL-VIFPVBQESA-N 175.231 1.981 10 10 ADCE C[C@]1(c2ccccc2O)NCC[C@@H]1F 258139990 QYOCGJUZCCZMLW-WDEREUQCSA-N 195.237 1.939 10 10 ADCE CC(C)ONCc1cccc(F)c1O 382256407 JZNJOURWGDRCON-UHFFFAOYSA-N 199.225 1.961 10 10 ADCE CC[S@@](=O)NCc1ccccc1O 385393091 BQFAEAUUPLABEE-CYBMUJFWSA-N 199.275 1.165 10 10 ADCE O=C1CCC(C(F)(F)F)CCC1=O 675049968 CUTFVRCOYVSRCD-UHFFFAOYSA-N 194.152 1.877 10 10 ADCE [N-]=[N+]=N[C@H]1C(Cl)=CCC[C@@H]1O 687756685 LVMBCNGYTWNVRG-WDSKDSINSA-N 173.603 1.943 10 10 ADCE C[C@H]1CNC[C@@H]1Nc1ccc(N)cc1 1888906066 YABIIZMEJFCUJO-KWQFWETISA-N 191.278 1.289 10 10 ADCE NC[C@H]1C[C@@H]1COc1ccc(N)cc1 1896267999 ADQQPTRTLOPASB-RKDXNWHRSA-N 192.262 1.242 10 10 ADCE [N-]=[N+]=N[C@H]1CCC(F)(F)[C@H]1O 1912170460 XFLPGDAFBZLLJX-IMJSIDKUSA-N 163.127 1.455 10 10 ADCE O=C1CC[C@H]([C@H]2CCCCCN2)C1=O 1932573157 FLJBWTHRGMYIII-RKDXNWHRSA-N 195.262 1.067 10 10 ADCE CN[C@H](COC)c1ccc(O)cc1O 1951845458 VELQHFLIKCPTBX-SECBINFHSA-N 197.234 1.005 10 10 ADCE CN(CCN=[N+]=[N-])C1(CO)CCCC1 1956765395 HUTVXKFJIVHIDN-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@H](N)C1 1957248011 ZMYIDARIGWWMSX-VIFPVBQESA-N 197.286 1.500 10 10 ADCE NCC(CN)/N=N/c1ccccc1 2086856635 IXXFOZSMPMCUMI-OUKQBFOZSA-N 178.239 1.056 10 10 ADCE COCCN(CCCN=[N+]=[N-])C1CC1 42519336 FTMOPGMOSOXFBQ-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE NCc1cc(N2CCCC2)ccc1N 82636677 BPXHVBMGLZJOQH-UHFFFAOYSA-N 191.278 1.328 10 10 ADCE c1ccc2c(c1)NC[C@H]1COC[C@@H]1N2 87262778 IBVVHEMVEPEJJH-KWQFWETISA-N 190.246 1.539 10 10 ADCE N[C@@H](c1ccc(F)cc1O)C1CC1 95671778 DDSFXQFOYPBTPT-SNVBAGLBSA-N 181.210 1.941 10 10 ADCE Cc1ccc(F)c([C@H](N)[C@@H](C)O)c1O 95717225 AIEYJORKFKJWSQ-HZGVNTEJSA-N 199.225 1.220 10 10 ADCE Cc1cccc2c1C(=O)CC2=O 163319274 OUSZUVCKXGFZHR-UHFFFAOYSA-N 160.172 1.764 10 10 ADCE C/C=C/C[C@@H](N=[N+]=[N-])C(=O)O 166211547 FXBGSPLRQXMWHC-WVSAJJKCSA-N 155.157 1.716 10 10 ADCE CC(C)[C@H](N)c1c(O)ccc(O)c1O 238168721 GNJDHFZLEFDIOG-VIFPVBQESA-N 197.234 1.459 10 10 ADCE CSCC[C@H](CO)N=[N+]=[N-] 238362396 LIXFZIHZDICQEH-RXMQYKEDSA-N 161.230 1.411 10 10 ADCE CC(=O)N[C@H](C)c1cccc(C)c1O 238373109 VAEPXVMVGNNUHA-MRVPVSSYSA-N 193.246 1.898 10 10 ADCE CN1CC[C@@H](CCN=[N+]=[N-])OC1=O 1857785229 YLOFVDNBQQJFMN-ZCFIWIBFSA-N 184.199 1.528 10 10 ADCE CCc1nc(CN=[N+]=[N-])cc(=N)[nH]1 1883297774 CMKZADUZKHLVAD-UHFFFAOYSA-N 178.199 1.262 10 10 ADCE COCC1(CN2CC(N=[N+]=[N-])C2)CC1 1892047782 PNMLGQBRCTXFQF-UHFFFAOYSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@@H]2COC[C@H]2O1 1893382235 KVABSMOHVBQNMU-GJMOJQLCSA-N 183.211 1.491 10 10 ADCE CCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912161672 MERCOYOJBKVPFF-LURJTMIESA-N 168.200 1.308 10 10 ADCE CCOCCN1CCC[C@H](N=[N+]=[N-])C1 1912181965 VQBCNVPUXXZWGK-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC(C)(C)[C@H]1CN[C@H](CN=[N+]=[N-])OC1 1912189848 WOQZLFPTVBIFKY-YUMQZZPRSA-N 198.270 1.905 10 10 ADCE [N-]=[N+]=NC1CN([C@H]2CCSC2)C1 1912191556 SPWHKXUPKIHSEX-ZETCQYMHSA-N 184.268 1.486 10 10 ADCE C[C@H](CO)N1CCC[C@@H](N=[N+]=[N-])C1 1912200758 KZDGSTBXKHQMRJ-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE Cn1ncnc1Oc1ccc(N)cc1 1930280549 CMVQUOQXESAPFP-UHFFFAOYSA-N 190.206 1.190 10 10 ADCE CC(C)(C)N1C[C@H](O)[C@H](N=[N+]=[N-])C1 1935175601 UQMKXBOJGHRYFR-RQJHMYQMSA-N 184.243 1.140 10 10 ADCE CC(=O)C(=O)c1cc(O)ccc1Cl 1951560944 UKWFQUOOFDIMRA-UHFFFAOYSA-N 198.605 1.817 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](O)C2(CCC2)C1 1956264276 ANRBWEDJRFQYOB-QMMMGPOBSA-N 196.254 1.144 10 10 ADCE CNCC[C@@H](C)N(C)CCCN=[N+]=[N-] 1957245091 VJOLXZHFTVZUOH-SECBINFHSA-N 199.302 1.617 10 10 ADCE NC(=O)/N=N/c1ccc(O)cc1 5996714 UGJQNSILMBYITH-MDZDMXLPSA-N 165.152 1.555 10 10 ADCE CC(=O)C[C@H](C)N(C)CCN=[N+]=[N-] 38583680 TXBQIGURBDNHOO-ZETCQYMHSA-N 184.243 1.596 10 10 ADCE CC(C)c1cccc(O)c1CN 95723226 ZFGHTWYILRJVIH-UHFFFAOYSA-N 165.236 1.974 10 10 ADCE CC[C@H](C)[C@@H](N=[N+]=[N-])C(=O)O 103619712 QRVNRYQHRHOJFD-CRCLSJGQSA-N 157.173 1.796 10 10 ADCE C[C@H](CN(C)C)Oc1ccc(N)cc1 141397788 TYSQKAQUDQOCKT-SECBINFHSA-N 194.278 1.598 10 10 ADCE C[C@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1O 230322148 VGPULNKRZQKISF-IUCAKERBSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)C(C)(C)CCC(=O)O 238043419 PWOATNUIBCSAJO-UHFFFAOYSA-N 186.207 1.036 10 10 ADCE CC1(C)CC(=S)C=C(NCCO)C1 238186322 FNIVCDJIBCBBRE-UHFFFAOYSA-N 199.319 1.642 10 10 ADCE CC(C)[C@H](O)N=[N+]=[N-] 238214171 JSLLRUHIVAOWTP-BYPYZUCNSA-N 115.136 1.271 10 10 ADCE CC1=C[C@@H](C)SC(=S)N1 238512185 XRUUODPJUUGRCM-RXMQYKEDSA-N 159.279 1.900 10 10 ADCE Cc1cc(C2(CN)CC2)cc(O)c1O 258070210 MENFUJHGTSSHPS-UHFFFAOYSA-N 193.246 1.397 10 10 ADCE CC[C@@](C)(N)c1cc(CO)ccc1O 306257303 PIQNYXLFKNNICU-LLVKDONJSA-N 195.262 1.468 10 10 ADCE CC[C@H](N)[C@H](N)c1ccc(C)cc1O 306629123 CEVCQDPIZLANMA-GXSJLCMTSA-N 194.278 1.438 10 10 ADCE [N-]=[N+]=N[C@@H]1COc2cccnc21 307194014 OMXBPEUNWZLKPI-RXMQYKEDSA-N 162.152 1.825 10 10 ADCE CC(=O)[C@H]1C[C@@H](CN=[N+]=[N-])O[C@H]1C 307456192 DIHTUFQQQXYJGY-BIIVOSGPSA-N 183.211 1.679 10 10 ADCE [N-]=[N+]=NCCCSCCC(N)=O 399153298 HIYRULDQUAOSJU-UHFFFAOYSA-N 188.256 1.295 10 10 ADCE CN[C@H]1C[C@@H](Oc2ccc(N)cc2)C1 1217955810 DCYXNIQQLSBQMZ-JGZJWPJOSA-N 192.262 1.398 10 10 ADCE CN(C)c1ccc(C[N+](=O)[O-])cc1F 1535720530 ZPWBGNVBWVIYNN-UHFFFAOYSA-N 198.197 1.668 10 10 ADCE Nc1ccc(CN[C@H]2CC2(F)F)cc1 1884638573 SHZHAYUVLBFWIP-VIFPVBQESA-N 198.216 1.766 10 10 ADCE COC[C@H]1C=CCCN1CCN=[N+]=[N-] 1885825745 RKAZLVBKVUUUKF-SECBINFHSA-N 196.254 1.574 10 10 ADCE CO[C@H]1C[C@H]1CNc1ccc(N)cc1 1887339939 QVBUQDRPGQMYNC-KWQFWETISA-N 192.262 1.716 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C[C@H]2CCO2)C1 1888422972 PYVWHAGBXUFTAH-JGVFFNPUSA-N 182.227 1.160 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@H]1CO2 1912197373 SIAGTYRVGYWFFT-IUCAKERBSA-N 196.254 1.550 10 10 ADCE CC(=O)C(=O)c1cscc1C 1951322665 QPBIWLNMUISUPY-UHFFFAOYSA-N 168.217 1.828 10 10 ADCE CC(C)(O)[C@H](N)c1c(O)cccc1F 1951478276 NTIRQQMPSZKJIN-SECBINFHSA-N 199.225 1.302 10 10 ADCE C[C@H](CN=[N+]=[N-])Cn1ccnc1 1953669530 RRHXXCPJRNBAEY-SSDOTTSWSA-N 165.200 1.830 10 10 ADCE C[C@@H](N)[C@H](N)c1ccc(N(C)C)cc1 1956171412 ZDTUHOIAVTYQIW-KCJUWKMLSA-N 193.294 1.100 10 10 ADCE [N-]=[N+]=NCCNC(=O)N[C@@H]1C=CCC1 1966657250 BLSOSODERGKKRL-SSDOTTSWSA-N 195.226 1.315 10 10 ADCE O=[N+]([O-])c1ccc(Cl)c(O)c1O 2054856643 SLMIDSHPRHELGV-UHFFFAOYSA-N 189.554 1.659 10 10 ADCE CN(c1ccc(N)cc1)[C@H]1C[C@@H](O)C1 2209401899 FDAMKAZLPPFLNI-PHIMTYICSA-N 192.262 1.228 10 10 ADCE Nc1ccc(N[C@H]2CC[C@@H]2CO)cc1 2209449656 VZQMYFFJOANZDQ-KCJUWKMLSA-N 192.262 1.452 10 10 ADCE Oc1c(F)cccc1[C@@H]1COCCN1 82909972 FMKUGJJZRPPYHO-VIFPVBQESA-N 197.209 1.192 10 10 ADCE Cc1[nH]c2ccccc2c1C(=O)C=[N+]=[N-] 106876566 MKXIKMKIXMEZPV-UHFFFAOYSA-N 199.213 1.960 10 10 ADCE Nc1cc(C(F)F)cc(O)c1O 212605711 ACNCTDQZHCKGMF-UHFFFAOYSA-N 175.134 1.618 10 10 ADCE O=C(O)[C@H]1CCNc2ccccc2N1 213603374 UCTXHLDVRCSSBB-SECBINFHSA-N 192.218 1.367 10 10 ADCE Cc1ccc(O)c(C2(N)CC2)c1 221191479 RKKQQUZGGHBILN-UHFFFAOYSA-N 163.220 1.648 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@@H]1NC(=O)O[C@@H]1C 238252644 GOGWKJRJYGJOOR-DSYKOEDSSA-N 198.226 1.962 10 10 ADCE CCCNCN=NC 307770902 JRHZMZQLVYQFPY-UHFFFAOYSA-N 115.180 1.026 10 10 ADCE C[C@]1(CO)CCCCN1CCN=[N+]=[N-] 723021434 BSQGWSTXGWZYAA-SECBINFHSA-N 198.270 1.534 10 10 ADCE Cc1ccoc1[C@@H](CO)N=[N+]=[N-] 1535677166 GVHIIHOVICUWBG-ZCFIWIBFSA-N 167.168 1.932 10 10 ADCE CC1(Oc2ccc(N)cc2)CNC1 1883788249 OGSRMPKROWCTTQ-UHFFFAOYSA-N 178.235 1.010 10 10 ADCE C[C@H](C=Cc1ncc(Cl)n1C)CN 1931100570 BFPYSEXJMCCGQR-SSDOTTSWSA-N 199.685 1.682 10 10 ADCE N[C@H]1C[C@H]1CCc1ccc(O)c(O)c1 1952137520 VWJJCLRKJNGOGR-BDAKNGLRSA-N 193.246 1.378 10 10 ADCE Nc1ccc(NC[C@H]2C[C@@H]2CO)cc1 1957223241 YDWDLPZYQRZJHQ-RKDXNWHRSA-N 192.262 1.309 10 10 ADCE C[C@H](O)[C@H](C)Oc1ccc(N)cc1 87141219 GHYXGRLJPDNNJR-YUMQZZPRSA-N 181.235 1.417 10 10 ADCE C[C@@H]1OC(=O)/C(=C/O)[C@@H]1C 100208755 NUSZIUPLMHUMPN-IJXJXZMDSA-N 142.154 1.010 10 10 ADCE CN[C@H](C)c1cccc(C)c1O 104522495 UZAXZRWCGHULNL-MRVPVSSYSA-N 165.236 1.981 10 10 ADCE C[C@@H](CCO)Nc1ccccc1N 132316865 GQSHYYAUVZAMAE-QMMMGPOBSA-N 180.251 1.452 10 10 ADCE C[C@@H](O)[C@@H](C)NCc1ccccc1O 162953364 RERQGWFGUKOEBG-RKDXNWHRSA-N 195.262 1.251 10 10 ADCE CC(C)[C@@H]1CC(=O)N(CCN=[N+]=[N-])C1 167288266 AGSXVJYXVKDOBU-MRVPVSSYSA-N 196.254 1.801 10 10 ADCE CC1(C)[C@H]2/C(=C\O)C(=O)OC[C@H]21 210581473 SMBCTICYQRFHME-IVABCBNFSA-N 168.192 1.257 10 10 ADCE Cc1ccc(O)c2c1CCN[C@@H]2C 212724180 RISDHIAMIRGBOZ-MRVPVSSYSA-N 177.247 1.907 10 10 ADCE C[C@H](CCCO)N=[N+]=[N-] 238420656 VMKOFJBIOIMXIV-RXMQYKEDSA-N 129.163 1.458 10 10 ADCE [N-]=[N+]=NCc1ccc2oc(=O)[nH]c2c1 238630007 VINMQDOIRPZRGP-UHFFFAOYSA-N 190.162 1.931 10 10 ADCE Cc1ccc(F)c([C@@H](N)CCN)c1O 306880528 GBIPHTWMUCJZTG-QMMMGPOBSA-N 198.241 1.188 10 10 ADCE Cc1nccnc1[C@H](CO)N=[N+]=[N-] 1535691709 XECMRSQWUJGRDQ-LURJTMIESA-N 179.183 1.129 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2C[C@H]2CO1 1880237181 KZXANZTURSSMLE-ACZMJKKPSA-N 153.185 1.722 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@]1(C)CCOC1 1884657119 CHUHFPOYSHLRSX-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@H](N1CC[C@H](N=[N+]=[N-])C1)C(C)(C)O 1893646215 CZUSIDFFRSARBX-YUMQZZPRSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2C[C@@]2(CO)C1 1899606343 POQOTMYGVUUODH-BDAKNGLRSA-N 196.254 1.001 10 10 ADCE C[C@@H](N=[N+]=[N-])c1ccn(C)n1 1912184134 WMKZKHFNDBCEHA-RXMQYKEDSA-N 151.173 1.791 10 10 ADCE CC(=O)C(=O)c1cccc(Cl)c1O 1951527510 QAVISBQEQGGQQF-UHFFFAOYSA-N 198.605 1.817 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])CC[C@H]1N 1957244457 PPJUKLDBDRJBLE-MRVPVSSYSA-N 197.286 1.356 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1[C@@H]2COC[C@@H]21 1957269460 LPUTWUIYXVKITD-PSVAKVPMSA-N 196.254 1.121 10 10 ADCE CN(C)[C@H]1Cc2ccc(O)c(O)c2C1 29228011 OTPYIUAXLHFTIM-QMMMGPOBSA-N 193.246 1.127 10 10 ADCE CCCN(C)c1ccc(CN)cc1 37097716 CFCZSNDKABDWHG-UHFFFAOYSA-N 178.279 1.992 10 10 ADCE CC(C)C/[N+]([O-])=N\C=C\C(=O)O 104378810 LSOSZVCOFHAQLR-DDJGDYJSSA-N 172.184 1.203 10 10 ADCE O=C1CCCc2c1cc(O)c(O)c2O 104684869 LMTHARYCLPTGMM-UHFFFAOYSA-N 194.186 1.322 10 10 ADCE COc1ccc(/[N+]([O-])=N/C#N)cc1 105359420 ASWQDDWBAMWIJB-KHPPLWFESA-N 177.163 1.770 10 10 ADCE C[C@H](O)c1cccc(O)c1O 116129630 NDDFBEOUDFSIHZ-YFKPBYRVSA-N 154.165 1.151 10 10 ADCE C[C@@H](NC(=O)CN=[N+]=[N-])C(C)(C)C 138317864 VJEIMTNDNVJUEV-ZCFIWIBFSA-N 184.243 1.848 10 10 ADCE CCN/C(C)=C/C(C)=S 211976705 SKLVLPCLGKTBBQ-AATRIKPKSA-N 143.255 1.890 10 10 ADCE COc1ccc(O)c2c1CCN[C@@H]2C 213701388 RXIICAJDFQKZGT-SSDOTTSWSA-N 193.246 1.608 10 10 ADCE CC1(C)C(=O)C(=O)[C@]2(C)C=C[C@H]12 238224340 BFADITIBMYCZHO-LHLIQPBNSA-N 164.204 1.357 10 10 ADCE CCOc1ccc2c(c1O)[C@H](N)CC2 238286800 XUYRAOXLCYESHD-MRVPVSSYSA-N 193.246 1.737 10 10 ADCE COc1cc(O)c(O)c([C@@H](C)N)c1 238392595 RDHMIXIQFDIVGZ-RXMQYKEDSA-N 183.207 1.126 10 10 ADCE Cc1cc(Cl)cc(CNO)c1O 257945756 AJIAAFRHWJNLIK-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE N#CN=Nc1ccc(C(=O)O)cc1 308022435 QKFUIFWBFFMWDO-UHFFFAOYSA-N 175.147 1.950 10 10 ADCE [N-]=[N+]=NCC1(C[N+](=O)[O-])CC1 687811581 IIJBBRNLPLJIAI-UHFFFAOYSA-N 156.145 1.354 10 10 ADCE CO[C@H]1CC[C@H]1Nc1ccccc1N 724185119 LVLYOLHIPLXCNW-MNOVXSKESA-N 192.262 1.858 10 10 ADCE COc1cc(C(C)(C)O)cc(O)c1O 1535813133 BKFGPANRICADLH-UHFFFAOYSA-N 198.218 1.334 10 10 ADCE CCCN1CC[C@H](N=[N+]=[N-])C1 1912149427 GGKHEJJUHOFTKY-ZETCQYMHSA-N 154.217 1.781 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2CCC[C@@H]21 1912179579 VXPIWAAAUDLWMH-BQBZGAKWSA-N 180.211 1.308 10 10 ADCE COC[C@@H](C)N1CCC[C@H](N=[N+]=[N-])C1 1912188933 SBTCWHKARIVXIB-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE C[C@@H](O)CCN1CCC[C@@H](N=[N+]=[N-])C1 1912208127 RFTPCMUGQXTCNQ-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE CC1(C)C[C@@H]1[C@@H](CO)N=[N+]=[N-] 1951354697 OYYJZKLCWXVFAR-PHDIDXHHSA-N 155.201 1.704 10 10 ADCE Cc1cccc([C@H]2NCC[C@@H]2O)c1O 1952070147 LCRMTSUEVZYHQE-VHSXEESVSA-N 193.246 1.096 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1[C@@H]2CC[C@@H]12 1954484174 YCORMNZSPPVJAR-PHDIDXHHSA-N 180.211 1.069 10 10 ADCE CN(C)C[C@@H]1CCN1CCCN=[N+]=[N-] 1955571335 GWRXEKWQDIMYFU-VIFPVBQESA-N 197.286 1.323 10 10 ADCE C[C@@H]1CCC[C@@H](CN)N1CCN=[N+]=[N-] 1957243879 IUXQNENMQPTXKR-BDAKNGLRSA-N 197.286 1.498 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1CCNC1 1957248078 AMIQJLVHBIKZHK-VIFPVBQESA-N 197.286 1.228 10 10 ADCE NCc1c(O)ccc2cccnc12 27653262 OAIBTWOQGSOQDA-UHFFFAOYSA-N 174.203 1.399 10 10 ADCE CCC[C@H](O)c1ccc(O)c(O)c1 34463635 LATGGSZRMCTXJE-QMMMGPOBSA-N 182.219 1.931 10 10 ADCE CN(CCCO)Cc1ccc(N)cc1 38973956 IZXDTVNLBIBTLJ-UHFFFAOYSA-N 194.278 1.083 10 10 ADCE CC[C@H](N)Cc1ccc(N)cc1 44409715 LVNBTYZEQHVUTM-VIFPVBQESA-N 164.252 1.549 10 10 ADCE Cc1ccc(C)c(C2(N)CC2)c1O 83272676 BEGBUYDCSKEZOP-UHFFFAOYSA-N 177.247 1.957 10 10 ADCE CC[C@H]1NCCc2c(O)ccc(O)c21 83657759 IYHPVEPGIUSMBM-MRVPVSSYSA-N 193.246 1.695 10 10 ADCE COC[C@@H]1CNc2ccccc2N1 88002003 ODBSDBZKZCJAPM-QMMMGPOBSA-N 178.235 1.539 10 10 ADCE C[C@H]1CCN(CCCN=[N+]=[N-])[C@@H]1CO 227197907 VFYQVMIOUUJEJD-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE COCO[C@@H]1[C@@H](N=[N+]=[N-])C=CO[C@H]1C 238355758 ZJPZKHNRQBWLJI-FXQIFTODSA-N 199.210 1.587 10 10 ADCE Nc1ccccc1CC(=S)C(=O)O 238640165 JADQJJWHVREJRI-UHFFFAOYSA-N 195.243 1.266 10 10 ADCE O=C1CC[C@@H](c2cc(F)ccc2O)N1 238718595 GNLZFSKBYXMLHI-QMMMGPOBSA-N 195.193 1.482 10 10 ADCE CSc1ccc(C)c(O)c1CNO 258217605 UPIXOWTVZOCABO-UHFFFAOYSA-N 199.275 1.901 10 10 ADCE CC(C)[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@H]1C 307268732 LCQUADZVTAZSNO-NGJRWZKOSA-N 185.227 1.675 10 10 ADCE CCn1cc([C@@H](C)N=[N+]=[N-])nn1 714964893 XYTMACVLSLGXKD-RXMQYKEDSA-N 166.188 1.669 10 10 ADCE [N-]=[N+]=NCC1C[C@@H]2CC[C@H](C1)N2 719283831 WXXJTQTUUTZUNK-IEESLHIDSA-N 166.228 1.827 10 10 ADCE CCN(C)Cc1c(O)cccc1OC 768237820 VFALXGLEYYQUKX-UHFFFAOYSA-N 195.262 1.853 10 10 ADCE COC[C@H](C)CN1CC(N=[N+]=[N-])C1 1883822070 STEVWTZTXNMIKM-SSDOTTSWSA-N 184.243 1.263 10 10 ADCE [N-]=[N+]=NCCCN1CC=C[C@@H]1CF 1884050753 MCNCAUHNMQVIOH-MRVPVSSYSA-N 184.218 1.897 10 10 ADCE C[C@H]1OCC[C@@H]1CN(C)CCN=[N+]=[N-] 1884942994 WXSIWPVWWQQZKM-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE Cc1nscc1[C@H](O)CN=[N+]=[N-] 1912158783 ZZNJXHKLUOXGMS-ZCFIWIBFSA-N 184.224 1.795 10 10 ADCE CNCC=Cc1cccc(O)c1O 1951472763 HOSVQACMXJJWER-UHFFFAOYSA-N 179.219 1.330 10 10 ADCE CN(CCN=[N+]=[N-])Cc1cnco1 1954586542 VYMZYZITMKUHGN-UHFFFAOYSA-N 181.199 1.417 10 10 ADCE C[C@@H]1[C@H](C(=O)N(C)CCN=[N+]=[N-])[C@@H]1C 1955681129 ZPDYAUKJQHACIB-RNLVFQAGSA-N 196.254 1.657 10 10 ADCE COc1ccc(N2CC(C)(N)C2)cc1 1956377218 PCPWVTHEUREBAP-UHFFFAOYSA-N 192.262 1.233 10 10 ADCE CC1(C)CN(CCCN=[N+]=[N-])CCN1 1957244527 QMWRYZMUMDWUPI-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@H]1N 1957246833 HIXQJPUVKJPOPJ-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE CNCc1ccc(OC)c(COC)c1 16942010 OQSXUAJPRKGWHI-UHFFFAOYSA-N 195.262 1.561 10 10 ADCE Nc1ccc(NCCC(=O)O)cc1 59540286 QOYPJRKPEXLZLY-UHFFFAOYSA-N 180.207 1.155 10 10 ADCE CN[C@@H](C)C(=O)c1ccsc1N 74282970 WMLLIYZXAOIEKZ-YFKPBYRVSA-N 184.264 1.121 10 10 ADCE Oc1cccc([C@H]2CCN2)c1O 95784010 JMXAHLWVZFZVOR-SSDOTTSWSA-N 165.192 1.132 10 10 ADCE CCOC(=O)/C=C(/C)N=[N+]=[N-] 135974031 IJSIARXOVVKCSV-PLNGDYQASA-N 155.157 1.764 10 10 ADCE Oc1ccc2c(c1O)CCCN2 142666847 PPVKNENIAJCRJR-UHFFFAOYSA-N 165.192 1.456 10 10 ADCE C[C@H](N)CCCN=[N+]=[N-] 196690840 JDBRPMVEIYCAHK-YFKPBYRVSA-N 128.179 1.424 10 10 ADCE CC(C)(O)c1cc(O)c(O)c(O)c1 238193630 NWBMZOYYGLTWCZ-UHFFFAOYSA-N 184.191 1.031 10 10 ADCE CC[C@]1(C)C[C@@H](N=[N+]=[N-])C(=O)O1 238305094 OBVPPNIEJOZKLO-IYSWYEEDSA-N 169.184 1.781 10 10 ADCE COC1=N[C@@H](CN=[N+]=[N-])CC1 238380172 WTMLMAMCRBTACI-RXMQYKEDSA-N 154.173 1.504 10 10 ADCE Cc1cc(C)c(O)c([C@H](N)[C@@H](C)O)c1 238415450 IMLWTYYEGIVXQN-PSASIEDQSA-N 195.262 1.390 10 10 ADCE C[C@@H](O)CCC(=O)C(=O)C(C)(C)C 238429194 GJQUOXYCBFXSKE-SSDOTTSWSA-N 186.251 1.332 10 10 ADCE Cc1ccc(C)c([C@@](C)(N)CO)c1O 238455818 VWTZMHQXPGUZRK-NSHDSACASA-N 195.262 1.175 10 10 ADCE C[Si]1(C)C[C@@H](O)[C@@H](N=[N+]=[N-])C1 238460573 AUVQZUJKQHOBGV-NTSWFWBYSA-N 171.276 1.748 10 10 ADCE Cc1cccc(O)c1[C@@H](N)[C@H](C)O 238485947 JKHQDFUGAYXYRT-XVKPBYJWSA-N 181.235 1.081 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 251079687 GTYYOWNNXLAVBU-JIGDXULJSA-N 194.238 1.459 10 10 ADCE C[C@H](/C=C\[C@@H](C)C(=O)O)N=[N+]=[N-] 307919589 ZDNGVBAXDRXKGB-BIVJQQCZSA-N 169.184 1.962 10 10 ADCE C[C@H]1OCCN(CCCN=[N+]=[N-])[C@@H]1C 380339801 LILYKUFGRPVUIG-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@]2(CCOC2)CO1 536959036 VXFHMHSFAYAEQT-HTQZYQBOSA-N 183.211 1.492 10 10 ADCE O=[N+]([O-])c1ccc(O)c(C=S)c1 687752081 YZYBEFJCPPHGDL-UHFFFAOYSA-N 183.188 1.648 10 10 ADCE [N-]=[N+]=NCCSc1cccnn1 712496860 RQOKULIWFJNAMD-UHFFFAOYSA-N 181.224 1.879 10 10 ADCE COC(=O)c1nn(C)cc1CN=[N+]=[N-] 1535679961 RHAQKVNYZYOSJD-UHFFFAOYSA-N 195.182 1.017 10 10 ADCE Oc1cccc(C[C@@H]2CCNC2)c1O 1535736632 MAYVCHIEEXUCSY-QMMMGPOBSA-N 193.246 1.250 10 10 ADCE Cn1ccnc1C=C1CCN[C@@H]2C[C@H]12 1884996313 PBJGLWGNUVAWPH-NXEZZACHSA-N 189.262 1.185 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@H]1CCC2(CC2)C1 1886002162 RWADKNBHCMLTPX-WPRPVWTQSA-N 196.246 1.086 10 10 ADCE C[C@@H]1CNC[C@@H]1Nc1ccc(N)cc1 1888906065 YABIIZMEJFCUJO-KCJUWKMLSA-N 191.278 1.289 10 10 ADCE C[C@]1(Nc2ccc(N)cc2)CCNC1 1888915763 UYSMBPNMJYCMKQ-NSHDSACASA-N 191.278 1.433 10 10 ADCE [N-]=[N+]=NCc1cocn1 1912162643 YNMHTZCFGJUAIG-UHFFFAOYSA-N 124.103 1.485 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2CC[C@H]21 1912163389 JBQNZHKIBHXSQG-HTQZYQBOSA-N 166.228 1.781 10 10 ADCE CC(C)C(=O)N1CCC(N=[N+]=[N-])CC1 1912197306 RQGXZQCRXVBRPL-UHFFFAOYSA-N 196.254 1.944 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)C1CCCC1 1929172713 PRCJTKAUMXYFMD-JTQLQIEISA-N 184.235 1.086 10 10 ADCE CSCC[C@@H](O)CN=[N+]=[N-] 1951351294 XGKJJDSQDAFUKP-RXMQYKEDSA-N 161.230 1.411 10 10 ADCE CC(C)N(CCN)CCCN=[N+]=[N-] 1954206442 GPJOKKGJRBZPET-UHFFFAOYSA-N 185.275 1.356 10 10 ADCE Cc1ccc(O)c([C@@H](C)N)c1 24863141 WZNMCVYFCNZJBV-SSDOTTSWSA-N 151.209 1.720 10 10 ADCE Cc1[nH]cnc1CSCCCN 34079110 MSHKYEMIHVMDTH-UHFFFAOYSA-N 185.296 1.300 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCCO1 34514729 UFOILRIAHBQPNH-ZCFIWIBFSA-N 141.174 1.866 10 10 ADCE N[C@H]1C[C@@H]2C[C@H]1c1cc(O)c(O)cc12 36093066 QPAZOFORCJMYGG-HQLVHBAOSA-N 191.230 1.400 10 10 ADCE CC(=O)C[C@@]1(O)CCC[C@H]1N=[N+]=[N-] 36477249 KOMQTCKWJSICLB-SFYZADRCSA-N 183.211 1.559 10 10 ADCE CN(Cc1cc(N)ccc1O)C1CC1 37273182 TYQXJLBHGLBMOG-UHFFFAOYSA-N 192.262 1.569 10 10 ADCE C[C@H](c1ccc(O)c(O)c1)N(C)O 82875619 NGSDMVAXXVMKIY-ZCFIWIBFSA-N 183.207 1.480 10 10 ADCE CC1(C)OCC[C@@H]2[C@H](N=[N+]=[N-])C(=O)N21 136818647 JLJLLMZWKIQARR-RITPCOANSA-N 196.210 1.033 10 10 ADCE CC1(COc2ccc(N)cc2)COC1 204337564 CJTKZVBQLFKZCS-UHFFFAOYSA-N 193.246 1.684 10 10 ADCE CCC[C@H](N)c1cccc(CO)c1O 211613109 TUFPHDZIERAGNH-JTQLQIEISA-N 195.262 1.684 10 10 ADCE CC[C@@H](N=[N+]=[N-])[C@@H]1CCOC(=O)N1 213850882 CKDNLAAVZBTWAM-RITPCOANSA-N 184.199 1.574 10 10 ADCE NC1(c2c(O)ccc3c2OCO3)CC1 214712561 WXOSGQYAWWDLTJ-UHFFFAOYSA-N 193.202 1.069 10 10 ADCE CC(C)OC(=O)[C@H]1C[C@H]1CN=[N+]=[N-] 238182130 BLAHMKFJJQCISM-BQBZGAKWSA-N 183.211 1.884 10 10 ADCE CCO[C@H](C[C@H](C)O)N=[N+]=[N-] 238290301 AQKPBRNQFALDNL-NTSWFWBYSA-N 159.189 1.430 10 10 ADCE Cc1ccc(C2(N)CCC2)c(O)c1O 258101003 OURAUQZVOSNSDU-UHFFFAOYSA-N 193.246 1.744 10 10 ADCE Nc1cccc2sc(CO)c(O)c12 306571429 GYUGSNPMBWUQEK-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE CN(Cc1ccccc1O)[S@@](C)=O 307219578 HDFQGGMZVCHAMF-CYBMUJFWSA-N 199.275 1.118 10 10 ADCE Cn1c(Cl)cnc1C=CCCN 1880546588 VNPIJUWHXKSVNR-UHFFFAOYSA-N 185.658 1.436 10 10 ADCE C[C@H](N)[C@H](C)Nc1c(N)cccc1F 1888913205 ZGJNJXYLQDGOJG-BQBZGAKWSA-N 197.257 1.556 10 10 ADCE Cc1nc(C)n(CCCCN=[N+]=[N-])n1 1912170855 CNXRRHGKXSRSMS-UHFFFAOYSA-N 194.242 1.985 10 10 ADCE [N-]=[N+]=NCCCN1CCCCO1 1912175114 IFXONOKXZFJPMY-UHFFFAOYSA-N 170.216 1.714 10 10 ADCE COc1nccc(CN=[N+]=[N-])n1 1953605028 RMIFSRDMVILPIR-UHFFFAOYSA-N 165.156 1.296 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1[C@H](CN)C2 1957248816 GILOTJIEFDKTDH-CIUDSAMLSA-N 195.270 1.108 10 10 ADCE CN1CCc2c(ccc(O)c2O)C1 1999226 OJWVUZYUSCZEDC-UHFFFAOYSA-N 179.219 1.086 10 10 ADCE CN(C)c1ccc2c(c1)C[C@H](N)CN2 82389273 YGYGBGTYJIUTND-VIFPVBQESA-N 191.278 1.048 10 10 ADCE O=C1Oc2ccccc2/C1=C/O 139369956 SZFQFVPRRYJVKZ-ALCCZGGFSA-N 162.144 1.505 10 10 ADCE C[C@@H]1OC(=O)/C(=C\O)[C@@H]1C 204966914 NUSZIUPLMHUMPN-RCVIUDAKSA-N 142.154 1.010 10 10 ADCE CC(=O)C(C)(C)C(C)=S 206010542 CBCBSYPWCKAYON-UHFFFAOYSA-N 144.239 1.991 10 10 ADCE COCC(C)(C)CN=[N+]=[N-] 222546377 CMMWHEZFDVPFBB-UHFFFAOYSA-N 143.190 1.969 10 10 ADCE CC(C)[C@@H]1CC(=O)C(=O)[C@@H](C)C1 238169848 PXKZBNAPMZMVFD-YUMQZZPRSA-N 168.236 1.827 10 10 ADCE C[C@H]1CCc2cc(O)c(O)c(C=O)c21 238455793 DYXXWHAOCFVAMA-LURJTMIESA-N 192.214 1.960 10 10 ADCE Nc1ccc(Nc2nnns2)cc1 260038676 MACFRKZCDKEVJY-UHFFFAOYSA-N 193.235 1.259 10 10 ADCE CO[C@H]1CN[C@H]2CC[C@H](N=[N+]=[N-])[C@H]1C2 721331047 INZUGVROZVXQJL-KZVJFYERSA-N 196.254 1.452 10 10 ADCE C[C@@H]1CO[C@@H](CN=[N+]=[N-])N[C@H]1C 885318760 CQQSJQOJXQSVDZ-VQVTYTSYSA-N 170.216 1.267 10 10 ADCE OCc1ccc(N2CC[C@@H]2CF)cc1 1886118291 NZGBHWFVMLGWCD-LLVKDONJSA-N 195.237 1.727 10 10 ADCE COC[C@@H](CF)Nc1ccc(N)cc1 1888914597 FHOVYJZAGJTWIE-SNVBAGLBSA-N 198.241 1.665 10 10 ADCE CC=CCN=[N+]=[N-] 1912142917 GXFIHCVXTMPULH-UHFFFAOYSA-N 97.121 1.873 10 10 ADCE CCC1(O)CN(CCCCN=[N+]=[N-])C1 1912169647 NBWUJCNLKXTUSN-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE N[C@]1(c2ccccc2O)CC[C@@H]2C[C@H]21 1928468288 UXQLPDZLSMAWCZ-UISBYWKRSA-N 189.258 1.976 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H](N)CC1 1954207869 DDRPKBGUKAFANX-QMMMGPOBSA-N 183.259 1.110 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21 1957165627 UCFNINBORBXPQT-CWKFCGSDSA-N 192.222 1.164 10 10 ADCE [N-]=[N+]=NCCCN1CCNCC12CC2 1957245335 WYDABHMMKNZMST-UHFFFAOYSA-N 195.270 1.125 10 10 ADCE Cc1ccccc1NC(=O)[C@H](O)N=N 2080193160 OVXZXIRRNKVXCX-VIFPVBQESA-N 193.206 1.283 10 10 ADCE [N-]=[N+]=Cc1ccsc1 36419601 NNMYCDOVBSOTAS-UHFFFAOYSA-N 124.168 1.397 10 10 ADCE CC(C)COC(=O)NCCN=[N+]=[N-] 42012695 CHNWWYUWTVONHY-UHFFFAOYSA-N 186.215 1.679 10 10 ADCE Nc1ccc(N2CCCCO2)cc1 164148258 CBNGXEKAEZHBRY-UHFFFAOYSA-N 178.235 1.801 10 10 ADCE CC(C)CC(=O)CN=[N+]=[N-] 200028363 CFLKQYLLNQIKLD-UHFFFAOYSA-N 141.174 1.912 10 10 ADCE COc1c(C)c(F)c(C)c(CN)c1O 212198970 IRMZEMUUHQSVLQ-UHFFFAOYSA-N 199.225 1.615 10 10 ADCE CCc1cc(CN)c(O)c(F)c1OC 214977927 BJGNDDRTBSIVJN-UHFFFAOYSA-N 199.225 1.561 10 10 ADCE CC[C@@H](N)c1c(N)ccc(F)c1O 238268798 GKGCMHPVDXHZJB-ZCFIWIBFSA-N 184.214 1.523 10 10 ADCE CC[C@H](C)O[C@H](O)CN=[N+]=[N-] 238287478 KWNNUHDNDCKFFF-WDSKDSINSA-N 159.189 1.430 10 10 ADCE COc1cc(C(C)C)cc(CN)c1O 258176555 WGMIQVRPKRSUPC-UHFFFAOYSA-N 195.262 1.983 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H]2OC(=O)C[C@H]2C1 307416767 ZJMRWHMPBIYVFT-PBXRRBTRSA-N 167.168 1.391 10 10 ADCE CC[C@H]1C[C@@H]1C(=O)NCCCN=[N+]=[N-] 387620326 QJJDQNBIUANJEN-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE Cc1cn(CCCN=[N+]=[N-])ccc1=O 389368280 WIWFWTFDWQGWGT-UHFFFAOYSA-N 192.222 1.857 10 10 ADCE C=CC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403322046 AXVGSFQYKFXHFU-ZETCQYMHSA-N 180.211 1.474 10 10 ADCE CCCC[C@@H](N)[C@@H](O)CN=[N+]=[N-] 1880818639 BCWPYCOQFJEDNA-RQJHMYQMSA-N 172.232 1.175 10 10 ADCE CCN(CCN=[N+]=[N-])CC1(C)COC1 1887717941 QMIQEAQJWHAAPB-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE COC[C@H](C)COc1ccc(N)cc1 1896912439 TUARAFREFPNZNM-VIFPVBQESA-N 195.262 1.930 10 10 ADCE [N-]=[N+]=NCCCCN1C(=O)CCC1=O 1912182402 BAZIGFXOBMSCKF-UHFFFAOYSA-N 196.210 1.226 10 10 ADCE CCCN(CCN=[N+]=[N-])CCOC 1912183054 KLLICMWHDWSGHU-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE CC(=CC(=O)O)CN=[N+]=[N-] 1912188780 RCDSLGSZKGMWEE-UHFFFAOYSA-N 141.130 1.328 10 10 ADCE N[C@@H](c1ccccc1O)C1CSC1 1928477838 YZPIHBHXMBSFNY-SNVBAGLBSA-N 195.287 1.755 10 10 ADCE C[C@]1(CN)CCN(CCCN=[N+]=[N-])C1 1957246738 GKZXOGVDSUNSEQ-SECBINFHSA-N 197.286 1.358 10 10 ADCE CCOc1cc(O)c(O)cc1C 2054938655 OOPCUNQUKKCBCF-UHFFFAOYSA-N 168.192 1.805 10 10 ADCE C=CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209153518 YRXUUAMTVLXXOR-RNFRBKRXSA-N 180.211 1.520 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2F)C1 2297025227 FPLZVDQVAQNQEQ-RRKCRQDMSA-N 198.201 1.256 10 10 ADCE N[C@@H]1CCc2c(cc(O)c(O)c2F)C1 29388667 OSVFEAMITKLJDN-ZCFIWIBFSA-N 197.209 1.053 10 10 ADCE CN(C)c1ccc([C@@H]2CCN2)cc1 44257538 VDPIQHJYBAHUHV-NSHDSACASA-N 176.263 1.787 10 10 ADCE C[C@@H]1NCCc2c(O)ccc(O)c21 75798956 MNWFHPLSSUYIBF-LURJTMIESA-N 179.219 1.305 10 10 ADCE C[C@@H](C(=O)O)c1ccc(O)c(O)c1 82874642 UYRNFBHAWUOWGM-RXMQYKEDSA-N 182.175 1.286 10 10 ADCE COc1ccc(N(C)C)cc1C(=O)O 83983127 ZFLZCVOYLRZHNT-UHFFFAOYSA-N 195.218 1.459 10 10 ADCE CCN1C[C@H](N)c2cc(OC)ccc21 84769057 ZBAUQQPRAFNNGI-JTQLQIEISA-N 192.262 1.535 10 10 ADCE Oc1ccc(Cl)c2c1CNC2 146026354 TUZCRECDQNXVQV-UHFFFAOYSA-N 169.611 1.649 10 10 ADCE COc1c(Cl)cc(N)c(O)c1O 213438094 JGNMREGHVKGPBW-UHFFFAOYSA-N 189.598 1.342 10 10 ADCE CCN1Cc2cccc(O)c2C1 221191180 RGAJFKBCTGVBPM-UHFFFAOYSA-N 163.220 1.728 10 10 ADCE CC(C)(C)c1cc(O)c(O)c(O)c1O 238120292 WUAGHAUHYRPBFV-UHFFFAOYSA-N 198.218 1.807 10 10 ADCE CCS[C@@H]1[C@H](N=[N+]=[N-])C(=O)N1C 238289989 KKGPNWYMQLOTKL-INEUFUBQSA-N 186.240 1.217 10 10 ADCE C[C@@H]1C(=O)N(CCCN=[N+]=[N-])C[C@@H]1C 399658952 KOWWISXIMXQPHN-YUMQZZPRSA-N 196.254 1.801 10 10 ADCE CC1(C)CN[C@@H](CN=[N+]=[N-])OC1 885319360 UQOLFXAVMLZNAY-ZCFIWIBFSA-N 170.216 1.269 10 10 ADCE Oc1cccc(CN[C@H]2C[C@@H]2F)c1O 1887535910 GOWXKWGAIMPIGA-YUMQZZPRSA-N 197.209 1.298 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H]1C[C@H]1C(C)(C)C 1898808455 RBHBFLXBRGMGDI-QXFUBDJGSA-N 198.262 1.188 10 10 ADCE Cc1ccc([C@H](O)CN=[N+]=[N-])cn1 1954188927 HNHQHSXPFKJOMD-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@@H]2CCC[C@@H]2C1 1956279345 XHMGGYBWQMKAOV-DOFRTFSJSA-N 196.246 1.086 10 10 ADCE CN1CCN(CCN=[N+]=[N-])[C@@H]2CC[C@@H]21 1956640036 YBAFVIDTTFAAIU-DTWKUNHWSA-N 195.270 1.075 10 10 ADCE C[C@@H](CO)CC1CN(CCN=[N+]=[N-])C1 2210011732 IXCFITCKKWWIJZ-MRVPVSSYSA-N 198.270 1.247 10 10 ADCE CN[C@H](C)c1ccc2c(c1)CCN2C 19722099 LRAOCIONEPFNIF-SECBINFHSA-N 190.290 1.959 10 10 ADCE Oc1cc(F)ccc1[C@@H]1CCCN1 40442617 PEZJKCWHWWFRTL-VIFPVBQESA-N 181.210 1.956 10 10 ADCE CN1CCC[C@H](N(C)CCN=[N+]=[N-])C1 53247337 WYGLLMCKBYYROY-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CN1CCC[C@@H](CN=[N+]=[N-])C1 197878373 RTXVDASMBASYPA-ZETCQYMHSA-N 154.217 1.639 10 10 ADCE CP(C)(=O)CN=[N+]=[N-] 200732449 MWNJPIONFZWGMS-UHFFFAOYSA-N 133.091 1.877 10 10 ADCE CN[C@H](C)CCCNCCCN=[N+]=[N-] 216556950 DMFWZKJLTDZFOI-SECBINFHSA-N 199.302 1.665 10 10 ADCE CCCC(=O)C(=O)c1cc[nH]c1 218704466 WEKCETBQBGDPTE-UHFFFAOYSA-N 165.192 1.567 10 10 ADCE N[C@H](CC1CC1)c1cc(O)nc(O)c1 238633465 YMTQJLQWWFITMN-MRVPVSSYSA-N 194.234 1.293 10 10 ADCE CO[C@@H]1O[C@@H]2CS[C@@H]2[C@H]1N=[N+]=[N-] 306166997 QFJREJUIOPLZKN-ARQDHWQXSA-N 187.224 1.152 10 10 ADCE C/C=C/[C@H]1C(=O)C(=O)C[C@H]1C 307351893 AWSDUMLIHBOEBW-KYNVUQBWSA-N 152.193 1.357 10 10 ADCE [N-]=[N+]=NCCc1ccon1 1535832606 FQRITPLSWLIYGG-UHFFFAOYSA-N 138.130 1.527 10 10 ADCE [N-]=[N+]=NC[C@H](O)CC1CC1 1880132995 KYMXCKNYQBFEGF-ZCFIWIBFSA-N 141.174 1.458 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1CCCCO 1885288852 YIVZDORLXAJSDT-SECBINFHSA-N 198.270 1.534 10 10 ADCE C[C@H](Oc1ccc(N)cc1)C(C)(C)N 1896269655 WLCCXCCTQDKCGA-QMMMGPOBSA-N 194.278 1.773 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@H]2CCC[C@@H]2O)C1 1912183807 UPQVDBBYTKCMPQ-VGMNWLOBSA-N 196.254 1.284 10 10 ADCE C[C@H]1CC[C@H](CN2CC(N=[N+]=[N-])C2)O1 1912192804 KFDJUMVRHMZQEM-IONNQARKSA-N 196.254 1.548 10 10 ADCE CC(C)c1sc(CN)c(O)c1N 2080421410 UGVWHDIQHFWLOZ-UHFFFAOYSA-N 186.280 1.618 10 10 ADCE CN/N=N\c1ccncc1 39050520 IQKPTFMDBDHXCK-UHFFFAOYSA-N 136.158 1.300 10 10 ADCE N[C@H]1CCCc2cc(O)cc(O)c21 95786691 NUPJKBAYWBMTSS-QMMMGPOBSA-N 179.219 1.434 10 10 ADCE Oc1ccc(-c2ncc[nH]2)c(O)c1O 104467762 GSBOKVDSCNCLME-UHFFFAOYSA-N 192.174 1.194 10 10 ADCE CC[C@H](N)c1cc(O)c(F)cc1O 238313697 QZDOMESVSLVPME-ZETCQYMHSA-N 185.198 1.647 10 10 ADCE C[C@](N)(CCO)c1c(O)cccc1F 238499968 QAHDBORGCWZGBB-JTQLQIEISA-N 199.225 1.088 10 10 ADCE CCc1cccc(CNOC)c1O 257950212 FOZQSLISJXSFDO-UHFFFAOYSA-N 181.235 1.606 10 10 ADCE Nc1ccc(O[C@H]2CC[C@H]2O)cc1 575593289 AAGXJWZZEQUFPS-ZJUUUORDSA-N 179.219 1.171 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@@H]2CC[C@@H](N)[C@H]21 669378850 QDHGWEFEZKAVCB-BDVNFPICSA-N 152.201 1.280 10 10 ADCE Cn1ccnc1/C=C1/CCCNCC1 690641917 BSJRLGRDBPCLOT-KTKRTIGZSA-N 191.278 1.577 10 10 ADCE CC(C)N(CCN=[N+]=[N-])C[C@@H](C)O 692162655 ZXMSBZCMGDFZMZ-MRVPVSSYSA-N 186.259 1.388 10 10 ADCE CCOc1cccc(CN(C)O)c1O 1535865512 UTFFYXQRDZOXAE-UHFFFAOYSA-N 197.234 1.612 10 10 ADCE C[C@@H](CO)N1CCC[C@@H]1CN=[N+]=[N-] 1882184916 DQIQGIJMILSTLE-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE Nc1ncccc1OCc1ccco1 1884751535 JGJSLPFPFICQQQ-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE CC(=O)C(=O)[C@](O)(CC1CC1)C1CC1 1892538241 BIQHIEGJCOAQDT-NSHDSACASA-N 196.246 1.086 10 10 ADCE Cc1cccc([C@@H]2CC(=O)CN2)c1O 1951970386 SOXURLZFOYEOGR-JTQLQIEISA-N 191.230 1.304 10 10 ADCE Cc1cn(C)c(C2=CCCNC2)n1 1953819300 WFMVEQRYBRFAQJ-UHFFFAOYSA-N 177.251 1.105 10 10 ADCE CC(=S)/C=C(\C)O 5132103 IOBBRMMNXUURSJ-ONEGZZNKSA-N 116.185 1.838 10 10 ADCE NCCc1c[nH]c2ccc(O)c(O)c12 6091793 HKPREGWFNPFQEA-UHFFFAOYSA-N 192.218 1.080 10 10 ADCE CCN(C)c1ccc(CNC)cc1 34824606 CWOQSFHDIDFYAX-UHFFFAOYSA-N 178.279 1.862 10 10 ADCE Oc1ccc(-c2ccn[nH]2)cc1O 80396473 OXAZVPPWYKJCAG-UHFFFAOYSA-N 176.175 1.488 10 10 ADCE CC1(C(=O)NCCN=[N+]=[N-])CCCC1 87318941 ZKIFJGFLDBLHEQ-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE C[C@@H](N)c1cc2cccnc2cc1O 104515044 JPBPEKOKJGIJBO-SSDOTTSWSA-N 188.230 1.960 10 10 ADCE CCN/C=C\C(C)=S 211943644 SWTMIOGNVPECRM-PLNGDYQASA-N 129.228 1.499 10 10 ADCE COc1c(C)c(C)c(N)c(O)c1O 213052177 GYJSNVKAGRHIHZ-UHFFFAOYSA-N 183.207 1.305 10 10 ADCE Cc1nccnc1CN=[N+]=[N-] 218644004 IXMJXUNBMFFXLH-UHFFFAOYSA-N 149.157 1.595 10 10 ADCE Cc1cc(O)c([C@@H](N)C(C)C)cc1N 238173226 HEKGCKVDKYGZMY-NSHDSACASA-N 194.278 1.939 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@H]1CO1 238252709 WEWJNMFZZBDNRJ-NTSWFWBYSA-N 141.174 1.864 10 10 ADCE Cc1cc(O)c2c(c1O)CCC[C@H]2N 238492862 PQQUCPWUCXYUCC-MRVPVSSYSA-N 193.246 1.742 10 10 ADCE C[C@H]1CN[C@@H](c2ccccc2O)OC1 258487379 LMRGNJROSCTDMR-GZMMTYOYSA-N 193.246 1.647 10 10 ADCE C[C@H](CN)CNc1ccc(N)cc1 1883133879 IQQPFACHQNQCPS-MRVPVSSYSA-N 179.267 1.276 10 10 ADCE Cn1ccnc1C=C[C@@H]1CCNC1 1883930895 XIPIMQWTIIIWND-SECBINFHSA-N 177.251 1.043 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H]2[C@@H](O)C[C@@H]21 1885077553 WRSACTFDXXAVPM-CIUDSAMLSA-N 196.254 1.142 10 10 ADCE [N-]=[N+]=NCCN1CCC12CC(CN)C2 1885764920 HTIPFBHHOYTRAM-UHFFFAOYSA-N 195.270 1.110 10 10 ADCE CC1(CNc2ccc(N)cc2)CNC1 1888923594 UCFRHHRAGUUSGR-UHFFFAOYSA-N 191.278 1.290 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@]12CCOC2 1912177770 HSHUFTSKISDFMK-VIFPVBQESA-N 196.254 1.552 10 10 ADCE CC[C@@H]1CCN[C@@H](CN=[N+]=[N-])O1 1912179383 UGUKFXYSCAOTDP-RNFRBKRXSA-N 170.216 1.411 10 10 ADCE CC[C@@](C)(O)CN1CC[C@H](N=[N+]=[N-])C1 1912208033 OUSOBASHIXLNMW-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CN[C@H](c1ccccc1O)C1(O)CC1 1921928639 VWOYBTXAYUOZAZ-SNVBAGLBSA-N 193.246 1.178 10 10 ADCE OC[C@@H](F)Sc1nccs1 1923226214 LTUYSUCRHQRIPM-BYPYZUCNSA-N 179.241 1.523 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)CC1CCCC1 1929208954 PXRWNCNQTDNXGS-NSHDSACASA-N 198.262 1.476 10 10 ADCE CCC[C@@H](O)CN(C)CCN=[N+]=[N-] 1933620441 YNCVDLZNBAZTOH-MRVPVSSYSA-N 186.259 1.390 10 10 ADCE CN(O)Cc1c(O)cccc1[N+](=O)[O-] 1951472036 CHUQUBFJGVKOFQ-UHFFFAOYSA-N 198.178 1.121 10 10 ADCE NC1(c2ccc(O)c(O)c2)CC=CC1 1952452892 QYJBOWBQFYDHTR-UHFFFAOYSA-N 191.230 1.602 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@@]1(C)CC=CCC1 1954981971 ZHOGVTZYHRSJBZ-MNOVXSKESA-N 196.246 1.252 10 10 ADCE CCN[C@H](c1ccccc1O)[C@@H](C)N 1956179199 HIOMCZQIUDWERJ-KCJUWKMLSA-N 194.278 1.390 10 10 ADCE Cc1c(O)c(O)cc2[nH]ccc12 26650261 IVHNMMXKIUWNFF-UHFFFAOYSA-N 163.176 1.888 10 10 ADCE NC[C@H]1CCc2cc(O)c(O)cc21 29204837 FCMNXOWRHIGEBP-SSDOTTSWSA-N 179.219 1.086 10 10 ADCE NC[C@H](c1ccc(O)c(O)c1)C1CC1 84353750 CQRHEPNAMYBPTQ-VIFPVBQESA-N 193.246 1.550 10 10 ADCE Oc1ccccc1CNC1CC(O)C1 84422050 BRTIINWMCNBLSK-UHFFFAOYSA-N 193.246 1.005 10 10 ADCE COc1cccc([C@H](N)C2CC2)c1O 95659230 MSTJHGIJAXAPBQ-SNVBAGLBSA-N 193.246 1.811 10 10 ADCE CCO[C@H]1CC[C@@H](CN=[N+]=[N-])O1 146568004 HIGDAZAIPJXJDZ-NKWVEPMBSA-N 171.200 1.838 10 10 ADCE CCOC(=O)CC[C@H](CO)N=[N+]=[N-] 238268611 AWXUSZZKDDUNPN-ZCFIWIBFSA-N 187.199 1.001 10 10 ADCE COC(=O)CC1=CC[C@H](N=[N+]=[N-])C1 238322033 WSSROIQANFMBII-ZETCQYMHSA-N 181.195 1.949 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2 238687136 NHFMRRHYBQCFBW-XAVMHZPKSA-N 181.239 1.951 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])[C@H](C)N=[N+]=[N-] 238801192 VZXFWYAQAAHRPN-IUYQGCFVSA-N 184.159 1.537 10 10 ADCE Oc1ccc2c(c1O)CNC21CC1 257828187 IHIKLQMTZNHWBM-UHFFFAOYSA-N 177.203 1.190 10 10 ADCE COc1ccc(C)c(O)c1C1(N)CC1 257955991 BKGXAAOUCDGLAO-UHFFFAOYSA-N 193.246 1.657 10 10 ADCE CNCN(C)c1ccc2c(c1)CCC2 258866479 KQSKGKMOXAKRHM-UHFFFAOYSA-N 190.290 1.788 10 10 ADCE OCc1ccc2c(O)c(O)sc2c1 306848248 LERKLUPOFLVDPP-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CCN(C)Cc1ccc(O)c(O)c1 307698423 HXVRZMKFSHNVJV-UHFFFAOYSA-N 181.235 1.550 10 10 ADCE OCc1cc(O)c(O)c2sccc12 307716066 JRNOIWCDYFLEFV-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H](F)[C@H](F)C1 714516675 CMDZNUIIJBRJJE-PHDIDXHHSA-N 176.170 1.289 10 10 ADCE CC1(C)CC(=O)N(CCN=[N+]=[N-])C1 720874955 HMPQQAHSBDOUSS-UHFFFAOYSA-N 182.227 1.555 10 10 ADCE C[C@@H]1CCO[C@@H](CN=[N+]=[N-])N1 885255498 MEEXPOZAUQBVIJ-RITPCOANSA-N 156.189 1.021 10 10 ADCE COc1cc(C(C)(C)N)cc(O)c1O 1535818309 UEYFLAWTYKBISW-UHFFFAOYSA-N 197.234 1.300 10 10 ADCE Nc1ccccc1N[C@@H]1CC[C@@H]1O 1878139723 MYDKKLAVVRXJCX-ZJUUUORDSA-N 178.235 1.204 10 10 ADCE O=C1CCCC2(CCC2)C1=O 1932885975 QQBOBCOGSCTHJB-UHFFFAOYSA-N 152.193 1.479 10 10 ADCE N[C@H]1C[C@H](Cc2ccc(O)c(O)c2)C1 1952822580 ALROUUVLPRMLOR-KYZUINATSA-N 193.246 1.378 10 10 ADCE CCCN(CCN=[N+]=[N-])[C@H]1CCNC1 1957245065 UURYZTDIPYXSOH-VIFPVBQESA-N 197.286 1.371 10 10 ADCE Nc1c(O)csc1C1CC1 2080399645 VKIDMLRXPVXIBG-UHFFFAOYSA-N 155.222 1.913 10 10 ADCE CS(=O)(=O)C1CC(CN=[N+]=[N-])C1 2241667262 FSZAHTQTYPKCTR-UHFFFAOYSA-N 189.240 1.120 10 10 ADCE CC(=O)C(=O)c1cc(C)n(C)c1C 77267477 IELJAFGIXWOJOT-UHFFFAOYSA-N 179.219 1.414 10 10 ADCE COc1cc2c(cc1N(C)C)CCN2 82388662 PYGDXEWOSCSLIE-UHFFFAOYSA-N 192.262 1.729 10 10 ADCE CN[C@H](C)c1cc(C)cc(C=O)c1O 104523696 LSRPPJPKUFBPMK-MRVPVSSYSA-N 193.246 1.794 10 10 ADCE CN(C)C1(c2ccccc2O)CC1 238323111 DIRLWGCPUJXRED-UHFFFAOYSA-N 177.247 1.943 10 10 ADCE Cc1ccc(O)c2c1OCC[C@@H]2N 238459086 QJEXUXMJHQIQFF-ZETCQYMHSA-N 179.219 1.483 10 10 ADCE Oc1c([C@H]2CCN2)ccc(F)c1F 238722333 LQONFIHXFXRMMD-SSDOTTSWSA-N 185.173 1.705 10 10 ADCE CSCc1ccc(O)c(O)c1 258128217 NMFIKNVPUZZJRA-UHFFFAOYSA-N 170.233 1.961 10 10 ADCE COc1cccc([C@H](C)NO)c1O 306227480 HJSVKQIMPWCBFF-LURJTMIESA-N 183.207 1.441 10 10 ADCE CN1C=CC=C/C1=C\N=NC(N)=S 383519422 VLBQYFAOZUYCGW-LIWCWIJISA-N 194.263 1.539 10 10 ADCE CC1(C)C[C@@]1(N)c1cc(O)ccc1O 1535734987 CMDKWDZILHNIAW-LLVKDONJSA-N 193.246 1.682 10 10 ADCE Cc1cnc(C=C2CCNCC2)n1C 1888837630 MHKFRLXUOHEPCT-UHFFFAOYSA-N 191.278 1.495 10 10 ADCE [N-]=[N+]=NCCCCN1[C@H]2COC[C@H]1C2 1895631405 BPBZTVLQWZVTFC-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE Nc1ccc(NC[C@@H](O)CF)cc1 1930558909 ZFJAAZUBAXBGKA-VIFPVBQESA-N 184.214 1.011 10 10 ADCE NCC[C@H]1C[C@@H]1c1ccc(O)c(O)c1 1951861896 YXBURWAOCZMQKH-DTWKUNHWSA-N 193.246 1.550 10 10 ADCE Cc1ccc([C@]2(C)CCN2)c(O)c1 1952219950 XFYJQQSDURCLHN-NSHDSACASA-N 177.247 1.909 10 10 ADCE C[C@H]1CNC[C@@H](C)CN1CCN=[N+]=[N-] 1957243870 IUEBVRBMRFZQAD-BDAKNGLRSA-N 197.286 1.227 10 10 ADCE C[C@H]1CCCN1CCN=[N+]=[N-] 42415692 MXIBSDKYKVGIDW-ZETCQYMHSA-N 154.217 1.781 10 10 ADCE Nc1ccc(CC2(N)CC2)cc1 59551416 UKEUNMAAKYUBEG-UHFFFAOYSA-N 162.236 1.303 10 10 ADCE CC(C)[C@](C)(N)c1ccc(O)cc1O 95758174 XDBAHSKREIMWEN-NSHDSACASA-N 195.262 1.928 10 10 ADCE Cc1cc(F)cc([C@H]2CCN2)c1O 95784157 XEMAGJZLUSIPJQ-SECBINFHSA-N 181.210 1.874 10 10 ADCE C[C@H](O)CCOc1ccc(N)cc1 133421850 JNWDBERFTHYKMK-QMMMGPOBSA-N 181.235 1.419 10 10 ADCE C[C@@H]1CCCN1C[C@@H](O)CN=[N+]=[N-] 203325889 LQRQYVBTGYXZKE-SFYZADRCSA-N 184.243 1.142 10 10 ADCE CN1CC[C@@H]1CCc1ccc(N)cc1 213490773 MAOWPTOMKDYVRZ-LBPRGKRZSA-N 190.290 1.906 10 10 ADCE Cc1cccc(C2(N)CC2)c1O 221191335 BNFRQCAHGKAPHM-UHFFFAOYSA-N 163.220 1.648 10 10 ADCE CCc1cc(C(=O)C(C)=O)no1 221955711 JCZFOOUORRKPSQ-UHFFFAOYSA-N 167.164 1.009 10 10 ADCE N#C/N=N/c1ccc(C(=O)O)cc1 222596553 QKFUIFWBFFMWDO-ZHACJKMWSA-N 175.147 1.950 10 10 ADCE CO[C@@H](O)C1CCC(N=[N+]=[N-])CC1 238387140 RDONCORVBWCNBF-KAVNDROISA-N 185.227 1.820 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCN1N=O 238602396 QTQCRWJSEFFRQT-YFKPBYRVSA-N 155.161 1.790 10 10 ADCE CONCc1c(C)cc(C)c(C)c1O 259448729 PREZPYQEWKGTEH-UHFFFAOYSA-N 195.262 1.968 10 10 ADCE COC(=O)Cc1ccc(O)c(O)c1C 259793944 IXRXERJHBIBFBZ-UHFFFAOYSA-N 196.202 1.122 10 10 ADCE CC1(C)O[C@@H]2O[C@H](CN=[N+]=[N-])C[C@H]2O1 306305756 JRZGNHWZINXDPH-XVMARJQXSA-N 199.210 1.563 10 10 ADCE CC[C@@H](O)[C@H](C)Nc1ccc(N)cc1 307602506 WRIUCDGRLUKHEG-GZMMTYOYSA-N 194.278 1.840 10 10 ADCE CC(C)[C@@H](CN=[N+]=[N-])ON 403595361 BGKWHQJYXRQHLJ-RXMQYKEDSA-N 144.178 1.212 10 10 ADCE CCN(CC)C1CN(CCN=[N+]=[N-])C1 697781162 NCWALUPJINLANH-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CCC[C@@H]21 706804680 ZTQRITOHYLEUBV-YUMQZZPRSA-N 166.228 1.781 10 10 ADCE N[C@@H]1CC(=O)c2c(F)cc(F)c(O)c21 713772673 GLFNCTWCPBCYSE-RXMQYKEDSA-N 199.156 1.257 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@@H](C2CCC2)CO1 885408938 YZDZNBZXBRXDIE-HTQZYQBOSA-N 182.227 1.411 10 10 ADCE CN(C)c1ccc(CN=[N+]=[N-])cn1 1535728391 HQCJMVWPECDRPA-UHFFFAOYSA-N 177.211 1.958 10 10 ADCE Cc1cnn(C)c1[C@H](O)CN=[N+]=[N-] 1912192352 DYXGQCYWGIJENR-ZCFIWIBFSA-N 181.199 1.072 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCC[C@H](C)CC1 1929201163 BWYDJEROTKVNCL-GZMMTYOYSA-N 198.262 1.476 10 10 ADCE Oc1ccc(C2[C@@H]3CNC[C@@H]23)cc1O 1952452099 GAVVGBMVVLMBLY-HTQZYQBOSA-N 191.230 1.031 10 10 ADCE C[C@H]1C[C@@H](CN(C)CCN=[N+]=[N-])CO1 1955206559 ZMFZRARIBRIXDF-IUCAKERBSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]21 1957165630 UCFNINBORBXPQT-XUTVFYLZSA-N 192.222 1.164 10 10 ADCE C[C@H](O)COc1ccc(N(C)C)cc1 2209919352 QXYGSLYUFHNWAW-VIFPVBQESA-N 195.262 1.512 10 10 ADCE CNCc1cccc(C)c1O 83339543 SJUSNFNWMGMSEK-UHFFFAOYSA-N 151.209 1.420 10 10 ADCE Cc1ccc(F)c([C@@H](N)[C@@H](C)O)c1O 95707006 AIEYJORKFKJWSQ-MUWHJKNJSA-N 199.225 1.220 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC1=O 130734709 XTYFQXTXOIRSEK-SCSAIBSYSA-N 125.131 1.418 10 10 ADCE [N-]=[N+]=NC[C@@H](N)c1ccccc1 140157385 KRRWAASSBQOAHT-MRVPVSSYSA-N 162.196 1.997 10 10 ADCE CON(C)C(=O)Nc1ccc(N)cc1 168202356 XSZBVQYCPPZWAO-UHFFFAOYSA-N 195.222 1.294 10 10 ADCE O=C1CCC[C@H](c2ccccc2O)N1 210718152 XEBOXDGRDYKJGF-SECBINFHSA-N 191.230 1.733 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H]2OC(=O)N[C@H]12 213860411 CNZJBPUKZPBTQT-HSUXUTPPSA-N 182.183 1.326 10 10 ADCE CC(C)OC(=O)[C@H]1C[C@@H]1CN=[N+]=[N-] 238182003 BLAHMKFJJQCISM-RQJHMYQMSA-N 183.211 1.884 10 10 ADCE CCOC(=O)Oc1cccc(O)c1O 238292885 JXKXKZBAOPIAMO-UHFFFAOYSA-N 198.174 1.633 10 10 ADCE CSC(SC)C(=O)C(C)=O 238411052 LBOJLBSWLMHPIH-UHFFFAOYSA-N 178.278 1.197 10 10 ADCE CSc1ccc([C@@H](N)CO)c(O)c1 258185602 RFDYGLVRCFKZPX-QMMMGPOBSA-N 199.275 1.106 10 10 ADCE [N-]=[N+]=NCc1ccc([C@@H](O)CO)cc1 259415852 MPZBYKFEIBJIQP-VIFPVBQESA-N 193.206 1.523 10 10 ADCE C[C@H]1C[C@@H](C)C(=O)N1CCCN=[N+]=[N-] 399575412 BASSYHKRBRCVAD-SFYZADRCSA-N 196.254 1.944 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H]2C[C@@H]21 707091127 XHYPZJGNSJRCHA-SFYZADRCSA-N 166.228 1.781 10 10 ADCE CC[C@@H](N=[N+]=[N-])c1cnn[nH]1 721826166 FUFPUUUHUZIDMX-SCSAIBSYSA-N 152.161 1.566 10 10 ADCE Cn1ccc(CCN=[N+]=[N-])n1 1535656257 VQLBBIBEDANKAN-UHFFFAOYSA-N 151.173 1.273 10 10 ADCE [N-]=[N+]=N[C@@H]1COCCC(F)(F)[C@H]1O 1912156578 MXJVANWYNQLXGK-UHNVWZDZSA-N 193.153 1.082 10 10 ADCE CC[S@](C)(=O)=NCCCN=[N+]=[N-] 1912208402 SAAJXQVVHANHGR-LBPRGKRZSA-N 190.272 1.805 10 10 ADCE CCn1ccnc1C=C[C@@H](C)CN 1931100449 ALJSJJDKSKOGLJ-SECBINFHSA-N 179.267 1.511 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2C[C@]2(O)C1 1956821932 OKQIRLGMWZMHNP-IUCAKERBSA-N 196.254 1.144 10 10 ADCE C[C@@H]1NC[C@@H](C)N(CCN=[N+]=[N-])[C@H]1C 1957248951 GPJSJVVOWFPHQT-VGMNWLOBSA-N 197.286 1.367 10 10 ADCE Nc1ccc(C(F)F)c(O)c1O 2055241468 SYXIATRSTKZTJO-UHFFFAOYSA-N 175.134 1.618 10 10 ADCE CC[C@H](NN)c1c(O)cccc1F 2080481976 GPAPQVOFUYBQJO-ZETCQYMHSA-N 184.214 1.446 10 10 ADCE Oc1cccc(S)c1O 35328929 CXMBJBCPGQIVET-UHFFFAOYSA-N 142.179 1.387 10 10 ADCE [N-]=[N+]=N[C@@H](CCO)c1ccccn1 75450764 IZJKKGVGBVXTFH-QMMMGPOBSA-N 178.195 1.815 10 10 ADCE CC(C)(O)[C@H](N)c1ccccc1O 84336222 KJXKRQRSVSVQES-SECBINFHSA-N 181.235 1.163 10 10 ADCE Cc1cc(O)cc(CN(C)C)c1O 212931026 UWIIIHGCDHNNAW-UHFFFAOYSA-N 181.235 1.468 10 10 ADCE Nc1ccc(N2C[C@@H]3C[C@@H]3C2=O)cc1 213343158 PYPDORSLKLMUJR-XVKPBYJWSA-N 188.230 1.252 10 10 ADCE CC(C)(N)c1ccc2ncoc2c1O 214684858 QDWDUIYYKJXDOE-UHFFFAOYSA-N 192.218 1.727 10 10 ADCE CCN(CN=[N+]=[N-])CN=[N+]=[N-] 238262525 RLQHZLHFYOCJQP-UHFFFAOYSA-N 155.165 1.844 10 10 ADCE CN[C@@H](C)c1cc(CCN)ccc1O 238324616 UEONHOZDRCBGRT-QMMMGPOBSA-N 194.278 1.174 10 10 ADCE Nc1cccc([C@H](N)C2CCC2)c1O 238557829 IBVXUBWXDURNFJ-SNVBAGLBSA-N 192.262 1.774 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H](c2ccco2)OC1=O 238595421 BTUAIPMRNZQADF-FSPLSTOPSA-N 193.162 1.947 10 10 ADCE CN(C)[C@H]1CCc2cccc(O)c21 257902721 PDHFCLQGDZUWIZ-VIFPVBQESA-N 177.247 1.941 10 10 ADCE NCCCc1cc(O)c(O)c(F)c1 257994110 FWUDRUGAHCELPN-UHFFFAOYSA-N 185.198 1.128 10 10 ADCE [N-]=[N+]=NCCCn1cnc(C2CC2)n1 389289706 YJSIVZUHUJHOFJ-UHFFFAOYSA-N 192.226 1.856 10 10 ADCE Cc1cc(CCN=[N+]=[N-])on1 1536201297 NQTVSPLLLCMPLA-UHFFFAOYSA-N 152.157 1.836 10 10 ADCE C[C@]1(O)C[C@H]2C[C@H]1N(CCN=[N+]=[N-])C2 1888538348 ATLCXBCMJQGZMU-HLTSFMKQSA-N 196.254 1.142 10 10 ADCE NC[C@H]1CC[C@@H]1Nc1ccccc1N 1888933218 IROVQLPRPPBWMT-SCZZXKLOSA-N 191.278 1.418 10 10 ADCE [N-]=[N+]=NCCN1CCN[C@H]2CCC[C@@H]21 1891140313 SDTHSPULECZTII-IUCAKERBSA-N 195.270 1.123 10 10 ADCE [N-]=[N+]=NCCCN1CCSC1 1892064791 GOKMUPVSVPMCAJ-UHFFFAOYSA-N 172.257 1.693 10 10 ADCE COC[C@@H](C)CN1CC[C@H](N=[N+]=[N-])C1 1896852454 UPTDCPKAGZTEBK-IUCAKERBSA-N 198.270 1.654 10 10 ADCE C[C@@H](O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912210656 MELCQQIGBGZKJD-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE Cc1cc(N(C)CCF)ccc1CO 1917017298 GGRHZGVETRHVPE-UHFFFAOYSA-N 197.253 1.893 10 10 ADCE C[C@]1(CN)C[C@@H]1c1ccc(O)c(O)c1 1952238175 YQAIBINABLTOAR-LDYMZIIASA-N 193.246 1.550 10 10 ADCE C[C@H](N)[C@H](N=[N+]=[N-])c1ccncc1 1954080811 DSVJHDNQECWKBH-XPUUQOCRSA-N 177.211 1.780 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)C2[C@H]3CC[C@H]23)C1 1955489002 QLOIRGPCMYPZFT-BQBZGAKWSA-N 192.222 1.164 10 10 ADCE Cc1cccc(N)c1N[C@H]1CC[C@H]1O 1955651148 XUQCLIFOQMMETK-VHSXEESVSA-N 192.262 1.512 10 10 ADCE Oc1ccc(CNC2CC2)cc1O 21962211 ZZOZGLRCYHTTJN-UHFFFAOYSA-N 179.219 1.350 10 10 ADCE COCCNCc1ccc(N)cc1 53293127 ZWKIQKGSORSPTH-UHFFFAOYSA-N 180.251 1.005 10 10 ADCE Cc1n[nH]c(Sc2nccs2)n1 60219655 FRBAXYKHOKLYRF-UHFFFAOYSA-N 198.276 1.721 10 10 ADCE Oc1ccccc1[C@@H]1COCCN1 82873930 LCJUTTSEJYVYQX-VIFPVBQESA-N 179.219 1.053 10 10 ADCE NC(=S)/C=C/c1ccc(O)c(O)c1 83342269 DWYAVLYZHRVGOQ-DUXPYHPUSA-N 195.243 1.397 10 10 ADCE CCn1ccnc1/C(C)=C/CCNC 86572429 PNOANCIZSZRMDN-UXBLZVDNSA-N 193.294 1.916 10 10 ADCE CC[C@@H](NN)c1ccc(N(C)C)cc1 126858217 CAIVQEYQMSDSBU-LLVKDONJSA-N 193.294 1.667 10 10 ADCE C[C@@H](NO)c1ccc(O)cc1O 132113676 CVGCZCUSPFXUKL-RXMQYKEDSA-N 169.180 1.138 10 10 ADCE Cc1ccc(C)n1-c1cc[nH]n1 143737328 OGVGKBCCEYATLM-UHFFFAOYSA-N 161.208 1.817 10 10 ADCE CCC[C@@]1(OC)C=C[C@H](OC)O1 168367229 LYFHTRSBZZPXSG-BDAKNGLRSA-N 172.224 1.688 10 10 ADCE O=C(O)[C@@H]1SC=CC1=S 223524640 BJQWXNGQWJACDN-SCSAIBSYSA-N 160.219 1.070 10 10 ADCE COc1c(C)cc2c(c1O)CN(C)C2 238444141 GKDPWPNOFKBYAG-UHFFFAOYSA-N 193.246 1.655 10 10 ADCE Cc1cccc(O)c1[C@H](N)CCO 238536881 QFAGBSKZJSLDBF-MRVPVSSYSA-N 181.235 1.083 10 10 ADCE N[C@@H]1CCCc2c(O)c(O)cc(F)c21 238601945 VOXCWYMYAPNGJT-SSDOTTSWSA-N 197.209 1.573 10 10 ADCE N[C@H]1CCOc2cc(Cl)cc(O)c21 238602539 WFUUBMZBTNYQSE-LURJTMIESA-N 199.637 1.828 10 10 ADCE CONCc1c(O)ccc(F)c1F 257958281 BRFCTDXFMNHNBE-UHFFFAOYSA-N 189.161 1.321 10 10 ADCE Cc1cc(CNO)c(F)c(O)c1O 258165895 VMVLAHNJZJSLOM-UHFFFAOYSA-N 187.170 1.024 10 10 ADCE CNCCc1cc(C)c(O)c(O)c1F 258190938 RRMJPYGICNODGM-UHFFFAOYSA-N 199.225 1.307 10 10 ADCE CC(C)[C@@]12C[C@H]1[C@H](C)C(=O)C2=O 307628988 MVFVKILPOBAESJ-BYULHYEWSA-N 166.220 1.437 10 10 ADCE N[C@H]1CC(=O)c2c(F)ccc(O)c21 713794580 LGNNDQLLLMGJDK-YFKPBYRVSA-N 181.166 1.118 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc(O)cc1 1535736616 LEUSUKPWTSSUOD-MRVPVSSYSA-N 179.179 1.736 10 10 ADCE CCN(CCN=[N+]=[N-])Cc1cnc[nH]1 1887712842 RPPWMJWVYJWCBY-UHFFFAOYSA-N 194.242 1.542 10 10 ADCE CCC[C@@H]1CCC[C@]1(O)C(=O)C(C)=O 1932511508 JJBNCMZQSKCONR-MWLCHTKSSA-N 198.262 1.476 10 10 ADCE C[C@@H]1C[C@@H](N)CN(CCCN=[N+]=[N-])C1 1957249200 ISOLYFBQVZNSIN-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE O=[N+]([O-])c1ccc(F)c(O)c1O 2054945092 QMOAXDWUSZZTSU-UHFFFAOYSA-N 173.099 1.145 10 10 ADCE Cc1cccc(NC(=O)[C@@H](O)N=N)c1 2080204307 SDOJDALESMBLJQ-SECBINFHSA-N 193.206 1.283 10 10 ADCE CC(C)N[C@@H](O)c1ccc(O)c(O)c1 28347526 JLTCHVMMHAHMPI-JTQLQIEISA-N 197.234 1.087 10 10 ADCE CN(C)c1nc2c(O)c(O)ccc2[nH]1 45238257 NSSNWADQIUZMCB-UHFFFAOYSA-N 193.206 1.040 10 10 ADCE C/C=C/C=C\C(=O)NCCCN=[N+]=[N-] 88383575 VLVIIYROPAQQBB-ZPYFUIHZSA-N 194.238 1.935 10 10 ADCE CC(=O)O[C@@H]1CC=CO[C@@H]1CN=[N+]=[N-] 137680086 LIFVRJRIBLNKGP-HTQZYQBOSA-N 197.194 1.531 10 10 ADCE Nc1ccc(N2C(=O)C3CC2C3)cc1 213344015 LXHOSVUJMIGGLB-UHFFFAOYSA-N 188.230 1.394 10 10 ADCE CO[C@@H]1CCC[C@H]1N=[N+]=[N-] 220653716 FUOCCHJJTSZVBQ-PHDIDXHHSA-N 141.174 1.864 10 10 ADCE O=C1O[C@@H]2CCCC[C@H]2/C1=C/O 225908808 YTOLNTIVKNZDJG-YRQJFVFOSA-N 168.192 1.544 10 10 ADCE CC(C)C[C@H](C)NC(=O)CN=[N+]=[N-] 229009931 WBPXVWVCKJHOMR-ZETCQYMHSA-N 184.243 1.848 10 10 ADCE CN(C)[C@@H]1C[C@@H]1c1ccc(O)c(O)c1 238290892 DBSWGRFYUPDTSK-RKDXNWHRSA-N 193.246 1.515 10 10 ADCE C[C@H](CCN=[N+]=[N-])[C@H]1COC(=O)N1 238430855 PRIZUWVNLWFWDN-PHDIDXHHSA-N 184.199 1.431 10 10 ADCE CCC(=O)C(=O)[C@@H]1CC1(C)C 306546252 AJUWXUVIKONFIB-LURJTMIESA-N 154.209 1.581 10 10 ADCE [N-]=[N+]=NCC/C=C\C=C\[C@@H](O)CCO 308338846 ADRULAOMRRNRSS-CHXYLCDJSA-N 197.238 1.543 10 10 ADCE COc1ccc2c(c1)[C@H](O)CN2C 527410358 MWDIGPIOSSPVNA-SNVBAGLBSA-N 179.219 1.178 10 10 ADCE O[C@H]1CC[C@H]1Sc1nccs1 707390570 POBLMZONYUIQQU-NTSWFWBYSA-N 187.289 1.759 10 10 ADCE CCOC(=O)c1ccc(C=[N+]=N)cc1 725381952 GPUCCKFLYSOODG-UHFFFAOYSA-N 191.210 1.521 10 10 ADCE CCn1ccnc1C=C1CN[C@@H](C)C1 1887311878 KGJSQXRRYOZDTN-VIFPVBQESA-N 191.278 1.668 10 10 ADCE CN[C@@H](C)CCOc1ccc(N)cc1 1896303415 XXABNXKGVQGLCD-VIFPVBQESA-N 194.278 1.646 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1CO 1905247004 KWMDHVQHHLBTHG-DTWKUNHWSA-N 198.270 1.247 10 10 ADCE C[C@H]1OCC[C@]1(N)c1ccccc1O 1928466129 BKUKCYNESXDJJN-LDYMZIIASA-N 193.246 1.355 10 10 ADCE Cc1ccc(O)c([C@]2(N)C[C@@H]2C)c1 1951735200 ULKBEQOVOUAWSV-KWQFWETISA-N 177.247 1.894 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1CCCN1 1957249428 KSQSGYPJUZBWPR-SECBINFHSA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@H]1C[C@H]1F 1963703960 ITOSFYVSHXQSRJ-NTSWFWBYSA-N 186.190 1.161 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2C[C@H]2C1=O 2209323044 SFEDQWHYUFIDGU-RNFRBKRXSA-N 180.211 1.165 10 10 ADCE CO[C@H](C)C[S@@](=O)CCN=[N+]=[N-] 2241559748 PHEPNRLJIBKPSH-INWYIAFRSA-N 191.256 1.080 10 10 ADCE CCOc1ccc(O)c([C@H](C)N)c1 71455094 HNYSSVDZOUGKEU-ZETCQYMHSA-N 181.235 1.811 10 10 ADCE N[C@H](c1ccc(O)cc1O)C1CC1 95672170 ZIGZSCDOQHCTDH-JTQLQIEISA-N 179.219 1.508 10 10 ADCE Oc1c(F)ccc([C@H]2CCNC2)c1O 212167666 BHVUENYNEXKVLY-LURJTMIESA-N 197.209 1.314 10 10 ADCE CC1(C)[C@H]2CC[C@@]1(F)C(=O)C2=O 238242939 DTEAKRKFSHNGNG-SSDLBLMSSA-N 170.183 1.283 10 10 ADCE Nc1c(Cl)cc2c(c1O)[C@H](N)CC2 238637006 LSPYBARPHRGTTL-ZCFIWIBFSA-N 198.653 1.574 10 10 ADCE COC[C@@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C1 698781788 PQVARCCMNAYULL-RRKCRQDMSA-N 171.200 1.083 10 10 ADCE [N-]=[N+]=NCC12CC(CO1)C2 716094366 PDFJUJPZHQYQQA-UHFFFAOYSA-N 139.158 1.476 10 10 ADCE CC1=C=S=C(C)[C-]1C(=O)C(C)(C)N 885870509 NAQVSCMSHWNNMW-UHFFFAOYSA-N 196.295 1.154 10 10 ADCE CN(CCN=[N+]=[N-])CCc1ncc[nH]1 1893785830 QJAJDHNXBLHRHJ-UHFFFAOYSA-N 194.242 1.194 10 10 ADCE CC(=Cc1nccn1C)C1CNC1 1927719727 GGWRBLNPMSMUFH-UHFFFAOYSA-N 177.251 1.043 10 10 ADCE CC(=O)C(=O)c1cnn(C(C)(C)C)c1 1951572796 VPENCMBDJMBNOC-UHFFFAOYSA-N 194.234 1.410 10 10 ADCE C[C@@]1(N)C[C@@H]1c1ccc(O)c(O)c1 1952390410 QCIKUXQIZNBJAA-GMSGAONNSA-N 179.219 1.303 10 10 ADCE C[C@@H]1C[C@@H]1N(CCO)CCCN=[N+]=[N-] 1955054523 CIDRYVMIOCUTMA-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE O=Cc1cc(F)c(O)c(O)c1F 32212111 GXBUPZWZOZKXGO-UHFFFAOYSA-N 174.102 1.189 10 10 ADCE [N-]=[N+]=NC[C@@H](N)Cc1ccccc1 34369757 PEXYWNARVQJCTP-VIFPVBQESA-N 176.223 1.867 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@@H]2OC(=O)C[C@H]12 38350478 GDTPOQHXUXZNQC-VQVTYTSYSA-N 181.195 1.781 10 10 ADCE CCN1CC[C@H](N=[N+]=[N-])C1 38948702 IYZDAIRJAWFDIK-LURJTMIESA-N 140.190 1.391 10 10 ADCE NCc1cc2nc(N)sc2cc1O 82637465 FSEMNRQUBVOVOR-UHFFFAOYSA-N 195.247 1.043 10 10 ADCE [N-]=[N+]=CC(=O)c1cc(F)ccc1F 84447159 ZBORFCNJEYGHNX-UHFFFAOYSA-N 182.129 1.448 10 10 ADCE COc1ncccc1CN=[N+]=[N-] 87415192 YXXJBPOTNCNSKP-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE Cc1cc(C)c(O)c([C@](C)(N)CO)c1 95757711 DUDITCWOKLKEDP-LLVKDONJSA-N 195.262 1.175 10 10 ADCE CC[C@@H](N=[N+]=[N-])[N+](=O)[O-] 221259900 NYCINHLLCDSCBN-VKHMYHEASA-N 130.107 1.310 10 10 ADCE CC1=N[C@@]1(C)N=[N+]=[N-] 238174069 XOJOXPPNTVVWJD-BYPYZUCNSA-N 110.120 1.487 10 10 ADCE CCOc1ccc(C(C)=O)c(O)c1O 238276838 AIVDSQDKMBLGCC-UHFFFAOYSA-N 196.202 1.699 10 10 ADCE COc1ccc(N(C)C)c(CCO)c1 238361131 GUBGBCHCQPJFFP-UHFFFAOYSA-N 195.262 1.296 10 10 ADCE C[C@H]1CC(=O)C(=O)CC1(C)C 238449089 OABDHONXORFDSY-LURJTMIESA-N 154.209 1.581 10 10 ADCE O=C(O)CCc1scc(O)c1O 238653725 HJWNBYIHUCJMSK-UHFFFAOYSA-N 188.204 1.177 10 10 ADCE C[C@@H]1[C@@H](CO)CCN1CCCN=[N+]=[N-] 385707852 QOCALSUOJJGSQZ-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])C(=O)[C@H]1C 399658951 KOWWISXIMXQPHN-SFYZADRCSA-N 196.254 1.801 10 10 ADCE Nc1ccc(OCc2cc[nH]n2)cc1 694727358 LNLJYBMOKMLZGC-UHFFFAOYSA-N 189.218 1.571 10 10 ADCE CC1CN(Cc2cc(N)ccc2O)C1 697958007 QLSXLEKSQRZBQZ-UHFFFAOYSA-N 192.262 1.426 10 10 ADCE O[C@@H]1CC[C@H]1Sc1nccs1 704095441 POBLMZONYUIQQU-PHDIDXHHSA-N 187.289 1.759 10 10 ADCE CC1([C@H](CO)N=[N+]=[N-])CCOCC1 1535766262 KGINRAZCFQIBKL-ZETCQYMHSA-N 185.227 1.474 10 10 ADCE C[C@H](CO)CN1CCC[C@H]1CN=[N+]=[N-] 1885286455 KGVKVAALZNOPEB-IUCAKERBSA-N 198.270 1.390 10 10 ADCE NC[C@H]1CC[C@@H]1Oc1ccc(N)cc1 1904948991 YAEVOYPDUOOQNN-KCJUWKMLSA-N 192.262 1.385 10 10 ADCE C[C@]12C[C@H]1CN(CCN=[N+]=[N-])C2 1912171767 ACQHKVAUNJXRIX-JGVFFNPUSA-N 166.228 1.639 10 10 ADCE CCC(=O)N1CCC(N=[N+]=[N-])CC1 1912180176 WXJGXTMQIFTDNQ-UHFFFAOYSA-N 182.227 1.698 10 10 ADCE C[C@H](OCc1ccc(N)cc1)[C@@H](C)O 1924876818 BAGPAQQCBGXNIH-BDAKNGLRSA-N 195.262 1.555 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@H]2CC[C@H](C2)C1 1929187672 MSYQDJQYUVSQPX-DOFRTFSJSA-N 196.246 1.086 10 10 ADCE COC[C@@](C)(N)c1cc(C)ccc1O 1951660714 PQORCPFMIGDDRS-LLVKDONJSA-N 195.262 1.521 10 10 ADCE COc1noc(C)c1CN=[N+]=[N-] 1953598512 WNVUQZQVSZWQNN-UHFFFAOYSA-N 168.156 1.802 10 10 ADCE Cc1cccc(O)c1CN(C)CCN 1955543890 LWGFBQCJQLTNBW-UHFFFAOYSA-N 194.278 1.091 10 10 ADCE COc1cc(C=CCO)cc(O)c1O 2054651147 NPNAJGCZQBQWQZ-UHFFFAOYSA-N 196.202 1.112 10 10 ADCE Nc1ccc(CCOCF)cc1 2242471612 XOSGBWUNFBAFMF-UHFFFAOYSA-N 169.199 1.755 10 10 ADCE CCN(C)C(=O)NCCCN=[N+]=[N-] 85970972 ZRIDCKGYMPTSPX-UHFFFAOYSA-N 185.231 1.348 10 10 ADCE COC[C@H](N)c1ccccc1O 104660260 GSVFNSYJFVVVBG-QMMMGPOBSA-N 167.208 1.038 10 10 ADCE CC(=[N+]=[N-])C(=O)c1ccccc1 111331805 SATLEPCDZVZDLF-UHFFFAOYSA-N 160.176 1.560 10 10 ADCE Nc1ccc(-n2cc(F)cn2)cc1 145657023 HRKNXLXIVAPRCF-UHFFFAOYSA-N 177.182 1.594 10 10 ADCE C/C(=C/c1ccc(O)c(O)c1)CO 211993258 URPPQARQIROCIF-DAXSKMNVSA-N 180.203 1.493 10 10 ADCE COC(=O)[C@H]1C=C[C@@H](N=[N+]=[N-])C1 213557613 FQONXKMKJKEHQD-NTSWFWBYSA-N 167.168 1.414 10 10 ADCE Cc1cc(CCC(=O)O)cc(O)c1O 258064701 LQABFIPVISDNAV-UHFFFAOYSA-N 196.202 1.423 10 10 ADCE Cc1cccc([C@@H](N)[C@H](C)N)c1O 306882055 INRRMRASWQUXQO-CBAPKCEASA-N 180.251 1.048 10 10 ADCE C[C@H]1CC[C@H](O)CN1CCCN=[N+]=[N-] 399423914 ONLMQTIPSAFJMC-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCC[C@H]1O 689758504 WGJMGAVHFPTFBY-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE CC[C@@H]1C[C@H](C)O[C@@H](CN=[N+]=[N-])N1 885456481 YDTUYYSSJZGHJW-RNJXMRFFSA-N 184.243 1.800 10 10 ADCE CC(C)[C@H]1CN[C@@H](CN=[N+]=[N-])OC1 885456490 ZXUOGGCGJSXYII-JGVFFNPUSA-N 184.243 1.515 10 10 ADCE Cc1nn(CCN=[N+]=[N-])c(C)c1F 1891823906 PVQWYZHBWWORCV-UHFFFAOYSA-N 183.190 1.949 10 10 ADCE CC[C@@H](N)[C@@H](C)Oc1ccc(N)cc1 1896245904 MIIKPAPEYHAMHY-LDYMZIIASA-N 194.278 1.773 10 10 ADCE CC[S@](C)(=O)=NCCN=[N+]=[N-] 1912207785 PLUASQFSGJRKBT-NSHDSACASA-N 176.245 1.414 10 10 ADCE CC(=O)C(=O)c1cnc(Cl)c(C)c1 1952322386 HEAUAUITNIPTGS-UHFFFAOYSA-N 197.621 1.815 10 10 ADCE CNC1(c2c(O)cccc2F)CC1 1952388685 FGDZFUHMJWKZLP-UHFFFAOYSA-N 181.210 1.740 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@H](CN)C1 1957246588 COVNDHRIGLSMBW-SECBINFHSA-N 197.286 1.358 10 10 ADCE CCCC[C@@H](O)CN=[N+]=[N-] 38324785 VNWZEAGGPLAHAH-ZCFIWIBFSA-N 143.190 1.848 10 10 ADCE C[C@@H](N)c1cccc(O)c1O 38881983 ZJUJGYBNARNPJZ-RXMQYKEDSA-N 153.181 1.118 10 10 ADCE Cn1c(Cl)cnc1CN=[N+]=[N-] 42390507 YSAGNZVAWDYCAN-UHFFFAOYSA-N 171.591 1.884 10 10 ADCE CC[C@](C)(CO)Nc1ccc(N)cc1 70895674 CPYWBJGNELFTLH-LLVKDONJSA-N 194.278 1.842 10 10 ADCE NCc1c(O)ccc(F)c1F 75926752 KSBCJSXTAFYAMH-UHFFFAOYSA-N 159.135 1.129 10 10 ADCE OC[C@@H]1CN[C@H](c2ccccc2O)C1 108340979 XPRYCOXMIKTTOG-WPRPVWTQSA-N 193.246 1.035 10 10 ADCE O=C1OC(c2ccccc2)=N/C1=C\O 109263113 AZPVACKYOJNWGE-VURMDHGXSA-N 189.170 1.389 10 10 ADCE CC1(C)CC[C@@H](N=[N+]=[N-])[C@H]1O 130778377 NBXHQOIXFTXZOC-PHDIDXHHSA-N 155.201 1.846 10 10 ADCE CC(=O)NCCCCN=[N+]=[N-] 197419327 RNIWKIYROCKGQM-UHFFFAOYSA-N 156.189 1.213 10 10 ADCE C[C@H](N)c1ccc2ocnc2c1O 214176604 DUVDRBQCLNSIBG-YFKPBYRVSA-N 178.191 1.553 10 10 ADCE C[C@H]1CN(C)CCN1CCCN=[N+]=[N-] 235580295 NWJLRZVBQHQZKQ-VIFPVBQESA-N 197.286 1.323 10 10 ADCE N#CN[C@H]1CCCC[C@@H]1N=[N+]=[N-] 238554609 YAYJTLNSMFSMJR-BQBZGAKWSA-N 165.200 1.679 10 10 ADCE Cc1cc(C(C)(C)N)c(F)c(O)c1O 258037378 FUDDGQJTSRTGST-UHFFFAOYSA-N 199.225 1.739 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@@H](O)CCC[C@H]1N=[N+]=[N-] 306244470 BAUNUBBIQFRSRT-SRQIZXRXSA-N 182.187 1.889 10 10 ADCE Nc1csc2cc(O)c(O)cc12 307532274 XUJIEEWPDOAINK-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CO[C@H]1C[C@H](Nc2ccc(N)cc2)C1 606265766 VHCKRKKZFRTJSA-XYPYZODXSA-N 192.262 1.858 10 10 ADCE CC(F)(F)[C@@H](CO)N=[N+]=[N-] 1536085969 WRYVSAIZDPMNTD-GSVOUGTGSA-N 151.116 1.313 10 10 ADCE CC(C)[C@@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 1877725371 GZOBDMVBFWUQFG-JGVFFNPUSA-N 196.254 1.705 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2CCO[C@H]2C1 1886460142 PHVHXHBDIKNEHW-IUCAKERBSA-N 196.254 1.408 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)C(C)C 1887717956 QSTSWXSKRAOXOT-UHFFFAOYSA-N 184.243 1.801 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@H]1C 1887718486 YDKHVQUQZIFZCC-SFYZADRCSA-N 196.254 1.801 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2C[C@]2(CO)C1 1899606349 POQOTMYGVUUODH-RKDXNWHRSA-N 196.254 1.001 10 10 ADCE CC[C@H](O)COCc1ccc(N)cc1 1924879664 SGTICGWLVCTYDW-NSHDSACASA-N 195.262 1.556 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1ccccc1F 1929121866 KVGGDLATSIOJHM-JTQLQIEISA-N 196.177 1.017 10 10 ADCE OCC=CCc1cccc(O)c1O 1951590557 FFERRIPOSNKGIO-UHFFFAOYSA-N 180.203 1.189 10 10 ADCE NC1CC(c2ccc(O)c(O)c2O)C1 1952500032 MGXATGPYGOHJHQ-UHFFFAOYSA-N 195.218 1.008 10 10 ADCE Oc1ccc([C@@H]2C[C@H](F)CN2)cc1O 1952877968 ZYTRBOWFOSFKPF-YUMQZZPRSA-N 197.209 1.470 10 10 ADCE Cc1ccc(C)n1-c1cnn(C)c1 35738245 WNGJLXYFPRUPEG-UHFFFAOYSA-N 175.235 1.828 10 10 ADCE [N-]=[N+]=NCc1ccc(CO)cc1 59686258 VVGSGMISAANDCM-UHFFFAOYSA-N 163.180 1.989 10 10 ADCE CONCc1ccc(C)cc1O 82852741 YWWREOXIHULJEM-UHFFFAOYSA-N 167.208 1.352 10 10 ADCE CCC[C@@H](N)c1cc(N)cc(F)c1O 104507897 GFEKBIGWUHGSHF-SECBINFHSA-N 198.241 1.913 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)c1ncco1 165895050 GBSWRIGNSGNIPQ-RXMQYKEDSA-N 168.156 1.408 10 10 ADCE COC(=O)[C@@H]1C=C[C@H](N=[N+]=[N-])C1 198925915 FQONXKMKJKEHQD-RITPCOANSA-N 167.168 1.414 10 10 ADCE COc1cc([C@H](C)N)c(O)cc1F 213183386 NHENDLNOKHBKHV-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE C[C@H](N)c1c(O)ccc(O)c1F 213986670 LHFBFQRDTDEHDZ-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE CN[C@@H](C)COc1ccc(N)cc1 238317537 BFSZCOKXCBLUHR-QMMMGPOBSA-N 180.251 1.256 10 10 ADCE C=C(N=[N+]=[N-])c1cncn1C 238530451 URKVDBWSNPYKMO-UHFFFAOYSA-N 149.157 1.701 10 10 ADCE CNCN(C)c1ccc(OC)cc1 258834136 HLBIXYJVLLWDJY-UHFFFAOYSA-N 180.251 1.308 10 10 ADCE COc1ccc(N(C)CN)cc1C 258923223 QULOJVMZGJCWAT-UHFFFAOYSA-N 180.251 1.356 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@H]2COC[C@@H]2O1 724626648 INAGFGCKUKINLN-QYNIQEEDSA-N 169.184 1.101 10 10 ADCE CN[C@H]1C[C@H](Oc2ccc(N)cc2)C1 1217948957 DCYXNIQQLSBQMZ-HOMQSWHASA-N 192.262 1.398 10 10 ADCE C[C@H](CON)c1cccc(O)c1O 1535734990 CPUAZGUYWKCEKR-ZCFIWIBFSA-N 183.207 1.092 10 10 ADCE CC[C@@H](N)CCOc1ccc(N)cc1 1896246102 NZOIVWCGWWYXES-SECBINFHSA-N 194.278 1.775 10 10 ADCE CCCC[C@@](C)(O)C(=O)C(C)=O 1929120348 SRPHVDCCCJIBNO-SECBINFHSA-N 172.224 1.086 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCCC[C@@H]1C 1929213328 DYDGNSXKMQPTAH-GZMMTYOYSA-N 198.262 1.476 10 10 ADCE Oc1ccc(F)cc1[C@H]1NCC[C@H]1F 1952818400 GTWHYOJFMQXDOW-PSASIEDQSA-N 199.200 1.904 10 10 ADCE 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1.860 10 10 ADCE CCC(C)(C)CC(=O)C(C)=O 238252162 PIBJZUJATVIPNA-UHFFFAOYSA-N 156.225 1.971 10 10 ADCE N[C@H](CCO)c1cccc(S)c1O 238676924 CVHCQLOSSAFXLR-SSDOTTSWSA-N 199.275 1.063 10 10 ADCE NC[C@H](NC1CC1)c1ccccc1O 257839265 LOLMTGQACVKORM-JTQLQIEISA-N 192.262 1.144 10 10 ADCE Cc1cc(CCCO)cc(O)c1O 258111084 PRHVBIANENBNSK-UHFFFAOYSA-N 182.219 1.331 10 10 ADCE CC[C@H](NO)c1ccc(O)cc1O 306378792 YOLFTKYZALVCEL-QMMMGPOBSA-N 183.207 1.528 10 10 ADCE C/C=C(\N=[N+]=[N-])N1CCOCC1 383697063 FFRYBXBEQSZDOD-FARCUNLSSA-N 168.200 1.490 10 10 ADCE CC[C@H](N=[N+]=[N-])[C@@H](C)O 642837120 KICFIYAKNUSNQX-UHNVWZDZSA-N 129.163 1.456 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H]2CO[C@H]1C2 716802881 YMNVBCGJADHSOU-VQVTYTSYSA-N 153.185 1.864 10 10 ADCE C[C@@H]([C@@H](C)O)N1CCC[C@H]1CN=[N+]=[N-] 1885284405 AUBPYAVMBIPTGC-YIZRAAEISA-N 198.270 1.530 10 10 ADCE C[C@@H](O)[C@H]1CCN1c1ccc(N)cc1 1885787512 MDOHTYIEMGXFMI-LDYMZIIASA-N 192.262 1.228 10 10 ADCE N[C@H](c1ccccc1O)[C@H]1C[C@@H]1CF 1888736150 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ADCE CC1(CN)CCN(CCN=[N+]=[N-])CC1 1957247842 XKWURVPKPQPSHO-UHFFFAOYSA-N 197.286 1.358 10 10 ADCE NN[C@@H](c1ccccc1O)[C@@H]1C[C@@H]1F 2297027625 PWHKAKZRODFWFS-WEDXCCLWSA-N 196.225 1.255 10 10 ADCE CSc1cccc([C@@H](N)CO)c1O 72197869 LRNQSLUKACQKRN-ZETCQYMHSA-N 199.275 1.106 10 10 ADCE C[C@@H]1C=CNC(=S)S1 104630315 FGLNTFSSXCTDRS-SCSAIBSYSA-N 145.252 1.510 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](N)[C@@H](F)C1 218776759 MJZXEXNHDVRUDN-NGJCXOISSA-N 158.180 1.515 10 10 ADCE Cc1cccc(O)c1[C@@H](N)CC(=O)O 238536007 OURQBYCKBMCNPG-ZETCQYMHSA-N 195.218 1.175 10 10 ADCE Nc1ccc(CCC2OCCO2)cc1 238639078 OXMVHWMJWXPVJE-UHFFFAOYSA-N 193.246 1.574 10 10 ADCE COc1ccc(N(C)C)c([C@H](C)O)c1 258016900 HXAXBXKZWSYZEY-QMMMGPOBSA-N 195.262 1.815 10 10 ADCE COC[C@@]1(CN=[N+]=[N-])CCCCO1 1535675534 XHTNDWMHQLXKSN-QMMMGPOBSA-N 185.227 1.882 10 10 ADCE Nc1ccc(N[C@H]2CC[C@H](O)C2)cc1 1885026572 RBOOCBAUZNPGIU-QWRGUYRKSA-N 192.262 1.594 10 10 ADCE Oc1cccc(F)c1CN[C@@H]1C[C@H]1F 1887536487 JUTWASFVRCDIMY-RKDXNWHRSA-N 199.200 1.731 10 10 ADCE COCCCN1CC[C@@H](N=[N+]=[N-])C1 1912173087 YTADRFWCDDMVSA-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE C[C@@H](CO)N1CCC[C@H](N=[N+]=[N-])C1 1912200761 KZDGSTBXKHQMRJ-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE CNCc1ccc(N(C)CCF)cc1 1916500184 HOICXCLCDSFQQL-UHFFFAOYSA-N 196.269 1.812 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H](C)CC(C)C 1929219778 DJKVNBYLGUIKAA-VXNVDRBHSA-N 186.251 1.188 10 10 ADCE C[C@@H](CO)N1CCC[C@@H](N=[N+]=[N-])CC1 1934377257 LAOJAXDBFWMMAD-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE COc1cnc(CCN=[N+]=[N-])cn1 1951395411 VRGOREFRZIGLHB-UHFFFAOYSA-N 179.183 1.338 10 10 ADCE COC[C@H](N)c1c(O)cccc1F 1951518859 STYIDZSNIYVEHN-ZETCQYMHSA-N 185.198 1.178 10 10 ADCE COCC[C@H](N)c1cccc(C)c1O 1951597612 STPNQEHNWHUMGY-JTQLQIEISA-N 195.262 1.737 10 10 ADCE C[C@@H]1CC[C@@H](CN)CN1CCN=[N+]=[N-] 1957242531 BEFHYVHRLYTYFE-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H](F)CC[C@H]1O 2241947581 GEZQZUYNNUMMTH-HSUXUTPPSA-N 159.164 1.548 10 10 ADCE Cc1ccc(O)c(C(C)(C)N)c1 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1.039 10 10 ADCE Cc1c(C)c(O)c(O)c(O)c1C 118331391 RBLPVXMAVRBHLI-UHFFFAOYSA-N 168.192 1.729 10 10 ADCE C[C@@H](CO)SCc1ccc(N)cc1 125495156 GEKWACGOEAHROQ-QMMMGPOBSA-N 197.303 1.883 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1[C@H]2CCC[C@@H]12 164592632 GTYYOWNNXLAVBU-DHBOJHSNSA-N 194.238 1.459 10 10 ADCE O=[N+]([O-])/C=C\c1cc(O)c(O)c(O)c1 211442143 KWYJASBNCVFQRR-UPHRSURJSA-N 197.146 1.051 10 10 ADCE C[C@@H](N=[N+]=[N-])[C@@H]1CO1 217436320 TWAGCEUJUHUREV-DMTCNVIQSA-N 113.120 1.084 10 10 ADCE CCC[C@H](N)Cc1ccc(N)cc1 238239598 NFQQKOJNJNWEDX-NSHDSACASA-N 178.279 1.939 10 10 ADCE Cc1cc(N)cc([C@@H](C)N)c1O 238424646 MXDHFXCOCIJTAV-ZCFIWIBFSA-N 166.224 1.303 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H](O)c1ccccc1 238701432 BRPSUIGJORFILD-RKDXNWHRSA-N 193.206 1.391 10 10 ADCE Cc1cc(O)c(O)cc1C[C@@H](C)N 257828355 IJHQPTYVAIBCFC-SSDOTTSWSA-N 181.235 1.296 10 10 ADCE CONCc1cc(C)cc(F)c1O 257951684 AWIWNFYQFAEFDO-UHFFFAOYSA-N 185.198 1.491 10 10 ADCE CC[C@@H](N)[C@@H](N)c1cc(F)ccc1O 306823963 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184.218 1.873 10 10 ADCE CN[C@@H](C)C=Cc1ccc(O)c(O)c1 1884305580 DDCAPABFYCBVME-QMMMGPOBSA-N 193.246 1.719 10 10 ADCE Cc1cnc(C2=CC[C@@H](N)CC2)n1C 1888822784 XPTQRPZOWNRKER-SNVBAGLBSA-N 191.278 1.623 10 10 ADCE CC[S@@](=O)CCCCN=[N+]=[N-] 1912169896 QCBYSPKCDPCPMM-LLVKDONJSA-N 175.257 1.846 10 10 ADCE Cc1cc(CN2CC(N=[N+]=[N-])C2)no1 1912182612 DUHVMJINJLCQTR-UHFFFAOYSA-N 193.210 1.478 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC(C)(C)C[C@@H]1C 1929142237 UVHGRNCCLDXZMB-WRWORJQWSA-N 198.262 1.332 10 10 ADCE CC[C@](O)(C(=O)C(C)=O)[C@H]1CC1(C)C 1929188400 UGAQIOPXTLYIDA-GZMMTYOYSA-N 198.262 1.332 10 10 ADCE CCO[C@@H]1C=CCN(CCN=[N+]=[N-])C1 1956281931 UHQUVJUCBHUIOH-SECBINFHSA-N 196.254 1.574 10 10 ADCE C[C@@H]1CNC[C@@H](C)N1CCCN=[N+]=[N-] 1957246768 GRMGMPXUNCAYSD-RKDXNWHRSA-N 197.286 1.369 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@H]1OCC(=O)O 34611339 GXSZDACGCYZNDB-RNFRBKRXSA-N 199.210 1.709 10 10 ADCE ONCc1cc(F)ccc1O 82845792 JINSBEQSQYZTAY-UHFFFAOYSA-N 157.144 1.010 10 10 ADCE C[C@@H](N)c1c(O)cccc1O 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191.198 1.265 10 10 ADCE CC(C)[C@H](N)CN=[N+]=[N-] 201389123 KNARGGBQCOUKDO-RXMQYKEDSA-N 128.179 1.280 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2CC[C@H]1C2 216427630 SZFKMLONKUOJQL-BQBZGAKWSA-N 180.211 1.308 10 10 ADCE CCC1(O)CN(c2ccc(N)cc2)C1 221267169 DYTZICALBPSONP-UHFFFAOYSA-N 192.262 1.230 10 10 ADCE [N-]=[N+]=N[C@@H]1OCCC[C@H]1CO 238713523 TULIJDHLDAAROD-NTSWFWBYSA-N 157.173 1.042 10 10 ADCE C[C@@]1(c2cccc(O)c2O)CCCN1 257989352 FMFLAJKDXWTEIV-NSHDSACASA-N 193.246 1.696 10 10 ADCE OCCCc1ccc(F)c(O)c1O 258207584 ZCPZUJVCWIQTTL-UHFFFAOYSA-N 186.182 1.162 10 10 ADCE CC[C@]1(C)CO[C@H](CN=[N+]=[N-])N1 885318659 AMISGTOJJNDALN-RNFRBKRXSA-N 170.216 1.411 10 10 ADCE CC(C)N(CCN)c1ccc(N)cc1 1888905812 UMPKHFBVKFVOFU-UHFFFAOYSA-N 193.294 1.442 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1CC1(F)F 1912154952 FRGGRUROWNQNBA-SCSAIBSYSA-N 190.153 1.068 10 10 ADCE C[C@H]1CC(=O)N(CCCN=[N+]=[N-])[C@@H]1C 1956893083 FGOJHTOMISTBCE-JGVFFNPUSA-N 196.254 1.944 10 10 ADCE C=CC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2209153517 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10 ADCE Cc1cccc(N)c1N[C@H](C)[C@@H](C)N 1888912464 FWBQXOICTFSDJE-RKDXNWHRSA-N 193.294 1.725 10 10 ADCE CC12CC(C1)N(CCN=[N+]=[N-])C2 1912153925 FPGBEFPYOYLFPW-UHFFFAOYSA-N 166.228 1.781 10 10 ADCE CC(=O)C(=O)C1CCC(C)CC1 1951322502 JQCBJDKVKPOBBH-UHFFFAOYSA-N 168.236 1.971 10 10 ADCE C[C@]1(c2cc(O)c(O)c(O)c2)CCN1 1952211306 BBCZNQRXNXENKN-SNVBAGLBSA-N 195.218 1.012 10 10 ADCE CC(=O)CCc1cc(O)nc(O)c1 1952458846 PSSWBTICOZBOEM-UHFFFAOYSA-N 181.191 1.014 10 10 ADCE [N-]=[N+]=NCCn1cc(Cl)c(=N)[nH]1 1953713830 VLAHRCSPTOAHGJ-UHFFFAOYSA-N 186.606 1.259 10 10 ADCE Nc1ccc(N[C@H]2C[C@H]2CO)cc1 1954309286 DHEYVHGTVGPRCN-XVKPBYJWSA-N 178.235 1.062 10 10 ADCE C[C@H]1CO[C@@H](CN(C)CCN=[N+]=[N-])C1 1954961795 CINOEBYUBZTCIT-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE Cc1cccc([C@@H](N)[C@@H](C)O)c1O 95672956 DOMHPPRYEREMRF-APPZFPTMSA-N 181.235 1.081 10 10 ADCE NCc1cc(CC2CC2)ccc1O 95721934 XSVUBFDQQUEKTK-UHFFFAOYSA-N 177.247 1.803 10 10 ADCE C[C@@H]1CC(=O)C(=O)[C@@H](C)C1 129192699 VTXSOIUJMOWVQJ-WDSKDSINSA-N 140.182 1.191 10 10 ADCE Cc1cc(CN)c(O)c(Cl)c1O 214506236 YPFVZELWZSVIJJ-UHFFFAOYSA-N 187.626 1.518 10 10 ADCE C[C@H]1C[C@@H](N=[N+]=[N-])C[C@@H]1N 218776197 PRIHAPLJAISSNB-JKUQZMGJSA-N 140.190 1.423 10 10 ADCE CC(=O)c1c(O)c(C)c(O)c(O)c1O 238123478 KKUYRHJFCPWYNZ-UHFFFAOYSA-N 198.174 1.020 10 10 ADCE CC[C@@H](N)c1cc(O)c(O)c(OC)c1 238276166 ZPCSQJAWWCMRPT-SSDOTTSWSA-N 197.234 1.516 10 10 ADCE CC[C@H](N)c1c(N)ccc(F)c1O 238309117 GKGCMHPVDXHZJB-LURJTMIESA-N 184.214 1.523 10 10 ADCE C[C@H](N)c1cc(F)cc(O)c1O 238420050 KLCZYLJPZIKMJH-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE NC1(c2cc3[nH]ccc3cc2O)CC1 238590009 SXOYPKVANOITGB-UHFFFAOYSA-N 188.230 1.821 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC(=O)[C@@H]2O[C@H]12 238591948 BGOOBBKPYPUXDI-JHYUDYDFSA-N 167.168 1.186 10 10 ADCE C[C@@H]1OCCN(CCCN=[N+]=[N-])[C@@H]1C 380339797 LILYKUFGRPVUIG-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CC(C)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 691685098 ZDVJAKQJBNJETN-QMMMGPOBSA-N 196.254 1.944 10 10 ADCE O=C1CCc2c(ccc(O)c2O)C1 714020928 QHPFCLLBCYXTST-UHFFFAOYSA-N 178.187 1.156 10 10 ADCE CC(=O)C(=O)[C@](C)(O)C1(C)CCCC1 1887210199 ISRDBOKRLFTWON-NSHDSACASA-N 198.262 1.476 10 10 ADCE CO[C@H]1C[C@@H]1CN(C)CCCN=[N+]=[N-] 1887359235 DLSRSDJPLVSLPN-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1C[C@H]2O 1887414208 IBSVKUCURSZNEE-HRDYMLBCSA-N 196.254 1.142 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1CCO1 1887718398 WDKAENBKPLVBTA-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H]1N 1888915084 NTZOUNJYMOURIZ-KCJUWKMLSA-N 191.278 1.052 10 10 ADCE [N-]=[N+]=NCCCCN1[C@@H]2COC[C@H]1C2 1895631404 BPBZTVLQWZVTFC-DTORHVGOSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CC2CC2)C1 1912169428 KLRTVXQALCMSFY-MRVPVSSYSA-N 166.228 1.781 10 10 ADCE CC(C)NC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912171238 IENQFEBYSLRKQX-ZETCQYMHSA-N 197.242 1.489 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]2CC1=O 1912196178 JNFTVIZFKGAJQV-NKWVEPMBSA-N 180.211 1.165 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC(F)(F)[C@@H]1O 1912209231 ZMNOQZHYTZERIT-RFZPGFLSSA-N 177.154 1.845 10 10 ADCE CCCOC[C@@H](N)c1ccccc1O 1928469868 AANTZTJRGUFEHV-SNVBAGLBSA-N 195.262 1.819 10 10 ADCE CC[C@H](C)[C@H](NN)c1ccccc1O 1928480008 CCOFRGSPRGPCGS-KWQFWETISA-N 194.278 1.943 10 10 ADCE CN[C@H](c1ccccc1O)[C@H](C)CN 1956159350 MVSGULZUKVYKNB-KCJUWKMLSA-N 194.278 1.248 10 10 ADCE CN/N=N/c1ccc(C(=O)OC)cc1 5132991 UZLUKIHZUPRHFG-UHFFFAOYSA-N 193.206 1.691 10 10 ADCE CCNCc1cc(C)ccc1O 70954495 WCCAIOGUHDFCBQ-UHFFFAOYSA-N 165.236 1.810 10 10 ADCE CC(C)CNC(=O)[C@@H](C)N=[N+]=[N-] 104701569 IFJZMAPQDLLJCV-ZCFIWIBFSA-N 170.216 1.457 10 10 ADCE CO[C@@H]1C[C@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O1 141954810 ZKDPFYAFKQRQBS-JKUQZMGJSA-N 198.186 1.737 10 10 ADCE COC[C@H](N)c1cccc(S)c1O 238365354 BIPXTHLKKVZXCT-ZETCQYMHSA-N 199.275 1.327 10 10 ADCE CO[C@@H]1C=COC[C@@H]1N=[N+]=[N-] 238393791 HVIFOMPPEICIQO-NTSWFWBYSA-N 155.157 1.224 10 10 ADCE CC(=O)N/C(C)=C\C(C)=S 307342327 VPNWGQBFGIIZPO-PLNGDYQASA-N 157.238 1.416 10 10 ADCE Cc1ccc(O)c([C@@]2(N)CC2(F)F)c1 1536150766 YGFNGZOUEDMZNS-VIFPVBQESA-N 199.200 1.894 10 10 ADCE [N-]=[N+]=NC1CC([C@H]2C[C@@H]2C(=O)O)C1 1857786757 XLPGOMPWLUPYCE-KBGZMJGOSA-N 181.195 1.796 10 10 ADCE COC[C@@H]1C[C@H]1CN=[N+]=[N-] 1880066556 JEKMUEZCTLCOHA-WDSKDSINSA-N 141.174 1.579 10 10 ADCE C[C@]12CCC[C@H]1C(=O)N2CCN=[N+]=[N-] 1912199274 QJKKRWKJIYWELV-CBAPKCEASA-N 194.238 1.698 10 10 ADCE COCC[C@@H](N)c1c(O)cccc1F 1951603301 YCESXNGLGAVDKK-MRVPVSSYSA-N 199.225 1.568 10 10 ADCE C[C@H]1[C@@H](N)[C@H](C)CCN1CCN=[N+]=[N-] 1957249407 KFYITIWTRSMSDR-VGMNWLOBSA-N 197.286 1.354 10 10 ADCE CC[C@H](NN)c1ccc(OC)cc1O 2080459131 UBRIUQWDTCELMV-VIFPVBQESA-N 196.250 1.315 10 10 ADCE CC(C)NCCCN=[N+]=[N-] 146375167 FQLHZBUKGWBLCA-UHFFFAOYSA-N 142.206 1.685 10 10 ADCE CC(=O)C(=O)CCC(C)(C)C 196660529 VJDSJOVJJWKZPU-UHFFFAOYSA-N 156.225 1.971 10 10 ADCE Cc1cc([C@@H](C)N)c(O)c(O)c1C 238418552 VBMVKYSAGWFKTP-SSDOTTSWSA-N 181.235 1.734 10 10 ADCE C[C@@H]1CN[C@](C)(c2ccccc2O)O1 238456982 PQYCAMIXFUDNRW-KCJUWKMLSA-N 193.246 1.573 10 10 ADCE Oc1ccc([C@H]2CCNC2)c(F)c1O 257972854 DATGOBNDYKIJKK-LURJTMIESA-N 197.209 1.314 10 10 ADCE CONCc1cc(N(C)C)ccc1O 258070229 METXZIOSIPZCOE-UHFFFAOYSA-N 196.250 1.109 10 10 ADCE N[C@@H](CF)c1cc(F)c(F)cc1O 307264346 JZARIFUNXXFVNH-ZETCQYMHSA-N 191.152 1.640 10 10 ADCE CCC[C@H](NO)c1ccc(O)c(O)c1 308370769 YLSCRNSYOBYADO-QMMMGPOBSA-N 197.234 1.918 10 10 ADCE CCC[C@H]1C/C(=C/O)C(=O)O1 382636295 OWZUSWZMWFAKOR-RBSILHGTSA-N 156.181 1.544 10 10 ADCE Cc1cccc(CN2CC(F)C2)c1O 753574522 DIALDPUMLZSSRW-UHFFFAOYSA-N 195.237 1.854 10 10 ADCE COC(=O)/N=N/C=C\Cl 1085123428 KSCUHXBJAUQSCF-BRXUXDTNSA-N 148.549 1.915 10 10 ADCE CCC1([C@@H](CO)N=[N+]=[N-])COC1 1535851993 IWEANDPYXMOVES-ZCFIWIBFSA-N 171.200 1.084 10 10 ADCE Nc1ccc(O[C@H]2CC[C@@H](N)C2)cc1 1877581223 RLXTWEJSVAFYJC-KOLCDFICSA-N 192.262 1.527 10 10 ADCE [N-]=[N+]=NCC[S@](=O)CC1CC1 1880200748 QNIGSWGFTQCVHQ-NSHDSACASA-N 173.241 1.455 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1O 1880457386 WXDGGYCYNUHHKU-YTLHQDLWSA-N 153.185 1.456 10 10 ADCE [N-]=[N+]=NC1CN(C(CF)CF)C1 1881014252 WLTQLDQXQZNTHY-UHFFFAOYSA-N 176.170 1.289 10 10 ADCE COC[C@H]1CCNc2ccccc2N1 1892498018 ZYNYVODFAVDLPT-SECBINFHSA-N 192.262 1.929 10 10 ADCE C[C@H]1CCNC[C@H]1N=[N+]=[N-] 1912155134 KARUBAIDYPPVHD-NTSWFWBYSA-N 140.190 1.295 10 10 ADCE CCN(CCCN=[N+]=[N-])C1CN(C)C1 1912169820 PFZSSOHLSMLUCB-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE CN(CCCCN=[N+]=[N-])C1CC(O)C1 1912177484 FNKXGIVFYAIUBM-UHFFFAOYSA-N 198.270 1.532 10 10 ADCE NC1(c2cc(O)ccc2O)CC=CC1 1952448680 MYXBTPFDKCXGDH-UHFFFAOYSA-N 191.230 1.602 10 10 ADCE COc1ccc(N2C[C@@H](O)[C@H]2C)cc1 2209623760 CHTTUICLYACVBN-LDYMZIIASA-N 193.246 1.265 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])[C@H](C)CN1C 2209952468 MWEHSDNMTVFLLK-DTWKUNHWSA-N 197.286 1.321 10 10 ADCE Cn1ccnc1-c1cccc(O)c1O 104463564 UYEGGWNJCNQONS-UHFFFAOYSA-N 190.202 1.498 10 10 ADCE Nc1cc(F)c(O)c([C@H](N)C2CC2)c1 104508612 WSVXDGFIOOZJHU-SECBINFHSA-N 196.225 1.523 10 10 ADCE C[C@H](Nc1ccc(N)cc1)[C@@H](C)CO 123247074 CGSMOTCUPMFCNC-IUCAKERBSA-N 194.278 1.698 10 10 ADCE Cn1ncnc1SCCCN=[N+]=[N-] 127977959 AVMQBEORMDCCFS-UHFFFAOYSA-N 198.255 1.608 10 10 ADCE C[C@H](CCN=[N+]=[N-])C(=O)O 196819829 AYHDMQBVNICUIY-SCSAIBSYSA-N 143.146 1.408 10 10 ADCE Nc1ccc(NC(=O)OCCF)cc1 201045372 FNLZHMGFVJRLRO-UHFFFAOYSA-N 198.197 1.787 10 10 ADCE COc1cscc1O 204201804 QOYWCTHHYODEEF-UHFFFAOYSA-N 130.168 1.462 10 10 ADCE CN1CCCc2c1ccc(O)c2O 212806424 GCZWRKGVKBRMKA-UHFFFAOYSA-N 179.219 1.480 10 10 ADCE C[C@@H](N=[N+]=[N-])c1ccnn1C 235193330 WXSOPFCFELUHQJ-RXMQYKEDSA-N 151.173 1.791 10 10 ADCE CC(C)Oc1cccc(CN)c1O 238158063 NCLFCOFCWHCBCE-UHFFFAOYSA-N 181.235 1.638 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])C1CC1 238801165 XYBIHUHCXHPLJF-RXMQYKEDSA-N 155.157 1.248 10 10 ADCE NCc1c(O)c(F)cc(Cl)c1F 258039113 JOGQDMFXYGTQEM-UHFFFAOYSA-N 193.580 1.783 10 10 ADCE C[C@@H](CCN)c1ccc(O)c(O)c1F 258084452 JFVTYHSIJVJHGW-LURJTMIESA-N 199.225 1.689 10 10 ADCE NCCC[C@@H](N)c1cc(F)ccc1O 575439161 VOBFKSJHFRLACD-SECBINFHSA-N 198.241 1.270 10 10 ADCE Cc1ccc(/C=C\CN)c(O)c1O 687679757 XFULUFZGLJFKMB-IHWYPQMZSA-N 179.219 1.378 10 10 ADCE CCC(=O)N[C@@H](C)c1ccccc1O 827984388 CPBUAEJERUKEIJ-QMMMGPOBSA-N 193.246 1.979 10 10 ADCE CC(C)[C@@H]1CCO[C@H](CN=[N+]=[N-])N1 885456404 OBRYFDFHGOTTDT-JGVFFNPUSA-N 184.243 1.657 10 10 ADCE Oc1cccc(F)c1CN[C@H]1C[C@@H]1F 1887536486 JUTWASFVRCDIMY-IUCAKERBSA-N 199.200 1.731 10 10 ADCE CO[C@H]1CCN(CCN=[N+]=[N-])[C@H]1C 1912144896 YHWIWKATZXUAQX-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE CCCCCC[C@@H](O)C(=O)C(C)=O 1929130456 MHTUACMGFKXNOY-SECBINFHSA-N 186.251 1.476 10 10 ADCE Cc1cccc([C@]2(C)CCN2)c1O 1952217285 FGWLUMBJPDRDQH-NSHDSACASA-N 177.247 1.909 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]1C(F)F 1953696801 UVXIFEZTEPTLRN-RXMQYKEDSA-N 176.170 1.636 10 10 ADCE C[C@@H]1CC[C@@H](N)CN1CCCN=[N+]=[N-] 1957245344 WYXVVMKQYRGMIL-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE CC[C@@H](NN)c1cc(C)c(C)cc1O 2080453613 PNDRGGVOWLFOMT-SNVBAGLBSA-N 194.278 1.923 10 10 ADCE COC(=O)/C=C\Oc1ccc(N)cc1 90512709 NSOUOEIKVOFCDH-SREVYHEPSA-N 193.202 1.334 10 10 ADCE N[C@H]1C[C@H]2C[C@H]1c1cc(O)c(O)cc12 100710749 QPAZOFORCJMYGG-YRZRMSQOSA-N 191.230 1.400 10 10 ADCE O=C(O)[C@@H]1CCCCC1=S 145420476 PCGKNTPGZGEBKQ-RXMQYKEDSA-N 158.222 1.631 10 10 ADCE O=[N+]([O-])Cc1cc([N+](=O)[O-])ccc1O 196091043 YFJPYPAXKKYZFZ-UHFFFAOYSA-N 198.134 1.077 10 10 ADCE [N-]=[N+]=NCCC(=O)OCC(F)(F)F 201170401 SORHJDLFLFRWSO-UHFFFAOYSA-N 197.116 1.792 10 10 ADCE COc1c(C)c(F)c(C)c(O)c1O 213236320 DEVJWDRSNDNYCO-UHFFFAOYSA-N 186.182 1.862 10 10 ADCE CC(=O)O[C@@]1(C)C=C[C@H](N=[N+]=[N-])OC1 238108313 CQBMEHMADSMQEY-SFYZADRCSA-N 197.194 1.531 10 10 ADCE COc1cc2c(c(O)c1O)COC2 238393742 FOUGVMGMUAKBAJ-UHFFFAOYSA-N 182.175 1.137 10 10 ADCE COc1cc(O)cc([C@H](C)N)c1O 238395407 WKVCQJAGFVXMAW-YFKPBYRVSA-N 183.207 1.126 10 10 ADCE CN[C@H]1Cc2cccc(O)c21 257986681 BLGXEUKLLSXTOR-ZETCQYMHSA-N 149.193 1.209 10 10 ADCE C[C@]1(CO)CCCN(CCN=[N+]=[N-])C1 688130633 QVHPPOVMXBADJW-VIFPVBQESA-N 198.270 1.391 10 10 ADCE CC[C@@H]1O[C@H](CN=[N+]=[N-])N[C@H]1C 885319099 LMKWXLSMKHGSEJ-LYFYHCNISA-N 170.216 1.410 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@H]2CCO[C@@H]21 1884078195 HVVJVBQUKIKTQK-CWKFCGSDSA-N 183.211 1.083 10 10 ADCE C[C@]1(C2CC2)CO[C@@H](CN=[N+]=[N-])N1 1912189936 XIMUAFHGIGNCGU-JGVFFNPUSA-N 182.227 1.411 10 10 ADCE CC(C)n1ccnc1[C@@H](CO)N=[N+]=[N-] 1951598799 PWWLUONHWMUDBU-SSDOTTSWSA-N 195.226 1.808 10 10 ADCE N[C@@H](c1ccc(F)cc1O)C(F)F 1952414591 IDSYAQAEZKPUTC-ZETCQYMHSA-N 191.152 1.796 10 10 ADCE CNCC[C@H](N)c1ccccc1O 2241980322 JRWCIAHGZMGMDT-VIFPVBQESA-N 180.251 1.002 10 10 ADCE C[C@H](Cc1ccc(N)cc1)N(C)C 26725938 CZPNGAFMPHTMTI-SECBINFHSA-N 178.279 1.761 10 10 ADCE CN(C)C(=O)CCCN=[N+]=[N-] 43453898 VHMILBUQEVMAKM-UHFFFAOYSA-N 156.189 1.165 10 10 ADCE C[C@@H](N)c1cc(F)c(F)c(F)c1O 104512398 ZCJRGOOLOZHXJG-GSVOUGTGSA-N 191.152 1.829 10 10 ADCE CCOC(=O)C[C@H](N=[N+]=[N-])C(C)=O 136840626 FTHUPIUMDIOXJA-LURJTMIESA-N 185.183 1.208 10 10 ADCE in-vitro O=C1C(=O)c2ncccc2-c2[nH]ccc21 196145906 YRNLSHVMPSJLTE-UHFFFAOYSA-N 198.181 1.456 10 10 ADCE CC[C@H]1CCCN1C[C@H](O)CN=[N+]=[N-] 206125650 YCEVDSZDUMCYKU-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE O=C1N[C@H]2c3ccoc3C[C@@H]2/C1=C/O 238610409 BYPLELUHHUEXDD-KQFVUNTQSA-N 191.186 1.065 10 10 ADCE O=C1CC[C@H](c2ccc(O)cc2O)N1 238729249 GQIGEWDRUYGXBC-MRVPVSSYSA-N 193.202 1.049 10 10 ADCE CC(C)(N)Cc1c(F)ccc(O)c1O 258215788 UNRBFLNORLDIDW-UHFFFAOYSA-N 199.225 1.517 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@@H]1CCCSC1 1535657311 XTJTWPLHKBYHJM-RNFRBKRXSA-N 187.268 1.801 10 10 ADCE Nc1ccc(Oc2cnsn2)cc1 1882654323 CAESKLSDHZFPDF-UHFFFAOYSA-N 193.231 1.913 10 10 ADCE CN[C@H]1CN(CCN=[N+]=[N-])CC1(C)C 1887059059 LBNLIMSCXROCRU-QMMMGPOBSA-N 197.286 1.227 10 10 ADCE CO[C@@H]1C[C@@H]1[C@H](N)c1ccccc1O 1928479412 UJDPRVNFAGEGSW-JMJZKYOTSA-N 193.246 1.427 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@]12CC[C@@H]1C2 1935499617 GXXHIBNGZAYMIA-HTRCEHHLSA-N 180.211 1.213 10 10 ADCE COCC[C@H](N)c1ccc(O)c(O)c1 1951591495 JMROYPAENDAFSW-QMMMGPOBSA-N 197.234 1.134 10 10 ADCE CC[C@H]1C[C@]1(N)c1ccc(O)c(O)c1 1951737484 VLAIDLSROUHZIC-WRWORJQWSA-N 193.246 1.682 10 10 ADCE CC1(C)CO[C@H]1CN=[N+]=[N-] 1953185259 PQJYGCKEPIMWGL-YFKPBYRVSA-N 141.174 1.722 10 10 ADCE Cc1cnn(-c2ccc(O)c(O)c2)c1 2070016250 AKKORACLSJWDKC-UHFFFAOYSA-N 190.202 1.592 10 10 ADCE N#Cc1cccc(C(=O)C=[N+]=[N-])c1 78211541 DWLDIMXGMDXYNQ-UHFFFAOYSA-N 171.159 1.042 10 10 ADCE Cc1cccc(C(C)(C)N)c1O 84428080 RKHZYFNNRCNGHG-UHFFFAOYSA-N 165.236 1.894 10 10 ADCE Cc1cccc([C@H](N)[C@@H](C)O)c1O 95659738 DOMHPPRYEREMRF-VXNVDRBHSA-N 181.235 1.081 10 10 ADCE Cc1ccc(F)c(O)c1[C@@H]1CCN1 95785209 JDDIKWUMOORMNI-QMMMGPOBSA-N 181.210 1.874 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1N(C)C 124832302 FUOPSLICSOGTFC-BDAKNGLRSA-N 197.286 1.179 10 10 ADCE Cc1cccc(CNN(C)C)c1O 159154898 RHHYJXQGUQSIFH-UHFFFAOYSA-N 180.251 1.267 10 10 ADCE O=C1Nc2c(F)cccc2/C1=C/O 212019078 AANCHVZHPNRJCU-XQRVVYSFSA-N 179.150 1.677 10 10 ADCE CO[C@H]1CCC[C@H]1N=[N+]=[N-] 220653783 FUOCCHJJTSZVBQ-RITPCOANSA-N 141.174 1.864 10 10 ADCE CN[C@@H](C)c1c(C)cccc1O 221198164 RGJKUWQAHLMAED-QMMMGPOBSA-N 165.236 1.981 10 10 ADCE CC1CC(NCCN=[N+]=[N-])(C(=O)O)C1 232785069 OQWQTGXKRUYNTL-UHFFFAOYSA-N 198.226 1.140 10 10 ADCE CC[C@H](N)c1cc(O)c(C)cc1O 238313653 PEKCZUXGSOOJCS-QMMMGPOBSA-N 181.235 1.816 10 10 ADCE Nc1ccc(O[C@H]2C[C@H]2C(=O)O)cc1 238585447 HMMPLQYFAZUJTO-BDAKNGLRSA-N 193.202 1.121 10 10 ADCE C[C@H](N)Cc1ccc(F)c(O)c1O 258108644 PJYVKXDUFXJNAN-YFKPBYRVSA-N 185.198 1.127 10 10 ADCE O=[N+]([O-])CSc1nccs1 306405998 XAMIEONUUDPJJG-UHFFFAOYSA-N 176.222 1.469 10 10 ADCE C[C@H]1[C@@H](O)CCCN1CCN=[N+]=[N-] 307737638 VGMWIDWFEUSDQH-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE N[C@@H](CCF)c1cc(O)ccc1O 575439539 FSQNCZAHOWJRHD-QMMMGPOBSA-N 185.198 1.457 10 10 ADCE C[C@@H]1COC[C@H]1Oc1ccc(N)cc1 703614367 PMAFWRGQPWSVOV-LDYMZIIASA-N 193.246 1.683 10 10 ADCE CC(C)[C@H]1CCO[C@@H](CN=[N+]=[N-])N1 885456405 OBRYFDFHGOTTDT-SFYZADRCSA-N 184.243 1.657 10 10 ADCE CN(O)C(=O)Nc1ccc(N)cc1 1883144700 IHYOUDSVMIWVSH-UHFFFAOYSA-N 181.195 1.122 10 10 ADCE CCOCC[C@H](N)c1ccccc1O 1928472614 RUBIUNUYVVIEQW-JTQLQIEISA-N 195.262 1.819 10 10 ADCE C[C@H]([C@@H](N)c1ccccc1O)N(C)C 1931440347 PZHOZXNVOMTPLT-LDYMZIIASA-N 194.278 1.342 10 10 ADCE [N-]=[N+]=NCC1(F)CCNCC1 1933641396 PKVHXLLFSSRFII-UHFFFAOYSA-N 158.180 1.388 10 10 ADCE CC(C)(O)Cc1cc(O)c(O)c(O)c1 1951401480 DVMPPLILAJIFSN-UHFFFAOYSA-N 198.218 1.117 10 10 ADCE CSc1ncccc1C(=O)C(C)=O 1951876266 KODORVNMEBJNLT-UHFFFAOYSA-N 195.243 1.575 10 10 ADCE CC[C@]1(OC)CCC(=O)C(=O)C1 1953529144 RPKYDKHGXBINLG-VIFPVBQESA-N 170.208 1.104 10 10 ADCE CC1(C)NC(=O)O[C@H]1CN=[N+]=[N-] 2209086170 XGYHTDLRQZLEKU-BYPYZUCNSA-N 170.172 1.184 10 10 ADCE CC[C@H]1[C@@H](O)CCN1CCCN=[N+]=[N-] 2242155075 VSJXNMXZNLGPJI-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CC[C@@H](/C=C/C(=O)OC)N=[N+]=[N-] 38973261 WNMGBCZXWLVJMK-OVCGOVNKSA-N 169.184 1.805 10 10 ADCE CCSCc1c[nH]cn1 81914467 WULVZVZQDPQHIO-UHFFFAOYSA-N 142.227 1.663 10 10 ADCE CCn1ccn(CCCN=[N+]=[N-])c1=O 87666767 RSIPTNBHRCMTNW-UHFFFAOYSA-N 195.226 1.370 10 10 ADCE CC1=NNC(=O)/C1=C/C1CCCCC1 90662166 VOTCKFJLBYEIPW-JXMROGBWSA-N 192.262 1.999 10 10 ADCE CC[C@H](C)NC(=O)CN=[N+]=[N-] 104701349 RKBJDKKKIOAYJM-YFKPBYRVSA-N 156.189 1.211 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccc[nH]1 130736740 GYPAIZLIMFYPFD-UHFFFAOYSA-N 150.141 1.508 10 10 ADCE Cc1cccc(C)c1C=[N+]=[N-] 196096630 UVECRNLDYYOJOR-UHFFFAOYSA-N 146.193 1.952 10 10 ADCE CC(F)(F)C[C@@H](N=[N+]=[N-])C(=O)O 216132358 LKRFIDZVJNEZBG-GSVOUGTGSA-N 179.126 1.795 10 10 ADCE Nc1ccc(CC2=CC(=O)OC2)cc1 218040804 LIFUVGSXMQPJNU-UHFFFAOYSA-N 189.214 1.295 10 10 ADCE Nc1ccc(CC(=S)C(=O)O)cc1 238585399 DQAQSXLYXUTKLJ-UHFFFAOYSA-N 195.243 1.266 10 10 ADCE [N-]=[N+]=NCCc1ccc([N+](=O)[O-])cn1 1535781258 ZLARBMLREOYXTJ-UHFFFAOYSA-N 193.166 1.843 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@@H]1F 1912174135 VJYODWCCUSVXAG-YUMQZZPRSA-N 186.234 1.977 10 10 ADCE CCC[C@H](C=Cc1nccn1C)CN 1931119807 RXEXYHYWGHYDRE-SNVBAGLBSA-N 193.294 1.808 10 10 ADCE CN[C@H](CF)c1ccc(O)c(O)c1 1952574797 PJYXFFAJQUPBPS-SSDOTTSWSA-N 185.198 1.328 10 10 ADCE CS(=O)(=O)C1(CN=[N+]=[N-])CCC1 1953391634 IFTIJDVINRPRFN-UHFFFAOYSA-N 189.240 1.264 10 10 ADCE Cc1cccc([C@@H](NN)C(C)C)c1O 2080473324 CIBFWCAKHMONNZ-JTQLQIEISA-N 194.278 1.861 10 10 ADCE [N-]=[N+]=NCC1(CN=[N+]=[N-])CO1 38875261 DIDMAOVVZJLTTO-UHFFFAOYSA-N 154.133 1.376 10 10 ADCE CC(=O)c1c(O)c(O)cc2cc[nH]c12 107134846 BGPBYWYWXIVQPM-UHFFFAOYSA-N 191.186 1.782 10 10 ADCE NC[C@H]1Cc2cc3c(cc21)OCO3 144997827 GXBXXAKNNDLMSW-SSDOTTSWSA-N 177.203 1.014 10 10 ADCE CC[C@H](N)c1c(F)ccc(N)c1O 211749509 DFVTZLKOTKUUFJ-LURJTMIESA-N 184.214 1.523 10 10 ADCE CN[C@@H](C)c1cccc(C)c1O 211774295 UZAXZRWCGHULNL-QMMMGPOBSA-N 165.236 1.981 10 10 ADCE O=C1CCCc2occc2C1=O 238594662 LUUYSNGTJSGONB-UHFFFAOYSA-N 164.160 1.368 10 10 ADCE CCN[C@@H]1CCc2cccc(O)c21 257815520 CVUQZOHAXMDYQW-SECBINFHSA-N 177.247 1.989 10 10 ADCE [N-]=[N+]=NCCCc1cnoc1 307705694 WBKIKFAZWSRJDM-UHFFFAOYSA-N 152.157 1.918 10 10 ADCE C[C@H]1[C@H](O)CCCN1CCCN=[N+]=[N-] 384986527 ZUQHVEKOTBFMKA-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])C[C@H](C)O1 689142996 JWZOGEAIYHIYHT-IUCAKERBSA-N 198.270 1.796 10 10 ADCE C[C@@H](O)[C@@H](C)N(C)c1ccc(N)cc1 702103031 BJCWBCQWCVOFGL-RKDXNWHRSA-N 194.278 1.474 10 10 ADCE COC(C)(C)C(=O)CN=[N+]=[N-] 1889415868 IONGMKBVPUYFTK-UHFFFAOYSA-N 157.173 1.291 10 10 ADCE Cc1ocnc1CN1CC(N=[N+]=[N-])C1 1912171950 QLAOCYCFBCUOTI-UHFFFAOYSA-N 193.210 1.478 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@@H]2CCC[C@H]21 1912182580 DKTAIYCEUZSFHJ-HTQZYQBOSA-N 194.238 1.698 10 10 ADCE Nc1ccc(N2CC=C[C@@H](O)C2)cc1 1956270497 AQUWBTPGOVYJSZ-LLVKDONJSA-N 190.246 1.006 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)CCC1CC1 2209037390 WKMVWLGBPSHETN-LBPRGKRZSA-N 187.268 1.846 10 10 ADCE C[N+]1(C)CCc2cc(O)c(O)cc21 13459431 MATBESKGIQZMDI-UHFFFAOYSA-O 180.227 1.221 10 10 ADCE Nc1ccc(C[n+]2ccccc2)cc1 31974059 PMBNGHMNOVXHGH-UHFFFAOYSA-N 185.250 1.605 10 10 ADCE CN(C)Cc1cccc(F)c1O 39128095 FQIAKKHPPYSTMX-UHFFFAOYSA-N 169.199 1.593 10 10 ADCE CCCC[S@@](=O)CCN=[N+]=[N-] 42416693 OUNYORRKEOZDFU-NSHDSACASA-N 175.257 1.846 10 10 ADCE C[C@@H]1C[C@@H]1NCc1ccc(O)c(O)c1 52269978 YEXNWPOZMSETPF-APPZFPTMSA-N 193.246 1.596 10 10 ADCE CC(C)[C@@H](N)Cc1ccc(O)c(O)c1 74244210 CXPPNZSQLZSFHV-VIFPVBQESA-N 195.262 1.624 10 10 ADCE COc1ccc(N2CC[C@@H]2C)c(N)c1 86687521 NQOJHWADEKAYCO-QMMMGPOBSA-N 192.262 1.876 10 10 ADCE S=C1C=CN=CC1 100096738 OWEKKVZCXWKHAO-UHFFFAOYSA-N 111.169 1.345 10 10 ADCE Cn1sc2cc(O)c(O)cc2c1=O 116655425 XQTNNZHXVOZDKC-UHFFFAOYSA-N 197.215 1.011 10 10 ADCE C[C@H](N=[N+]=[N-])c1cnccn1 165897923 DZWXTJDQFCUBPG-YFKPBYRVSA-N 149.157 1.848 10 10 ADCE COc1cc(OC)c(O)c([C@H](C)N)c1 211783749 BOKDEGHJZUSVHZ-LURJTMIESA-N 197.234 1.429 10 10 ADCE Cc1cc(F)cc(C2(N)CC2)c1O 214261684 CTBKLZPLLWRQAL-UHFFFAOYSA-N 181.210 1.788 10 10 ADCE CC(=O)O[C@]1(C)C=C[C@@H](N=[N+]=[N-])OC1 238079931 CQBMEHMADSMQEY-JGVFFNPUSA-N 197.194 1.531 10 10 ADCE CC(C)(C)[C@H](N=[N+]=[N-])[C@H]1COC(=O)N1 238177366 UTKYNCZTEHMKQQ-PHDIDXHHSA-N 198.226 1.820 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@@H](C(=O)O)C1 238657167 DFFGFVLWRXEXJU-PHDIDXHHSA-N 169.184 1.940 10 10 ADCE CC(=O)[C@H](N=[N+]=[N-])C(C)C 238792119 MVAZDLPZOWYJLQ-ZCFIWIBFSA-N 141.174 1.910 10 10 ADCE COc1c(C)c(C)cc(CNO)c1O 257974820 DCYVEPUEXDDPRX-UHFFFAOYSA-N 197.234 1.496 10 10 ADCE CO[C@@H]1O[C@H]2CS[C@H]1[C@H]2N=[N+]=[N-] 306389288 QPMKBOUTQHGRKX-OMMKOOBNSA-N 187.224 1.152 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@@H]2C=C[C@H]1C2 307168517 VINWIZYIBZRSGZ-FPFOFBBKSA-N 121.143 1.871 10 10 ADCE C/C=C\[C@@H]1C(=O)C(=O)C[C@@H]1C 383816266 AWSDUMLIHBOEBW-NBJOHNLQSA-N 152.193 1.357 10 10 ADCE Nc1ccc(O[C@@H]2CC[C@H]2O)cc1 575593286 AAGXJWZZEQUFPS-NXEZZACHSA-N 179.219 1.171 10 10 ADCE C/C(=C/C=C\N=[N+]=[N-])C(=O)O 687748472 JMRMKCWBAGOYFY-JVLMNHKTSA-N 153.141 1.841 10 10 ADCE Oc1cccc(F)c1CNC1CC1 723050367 VTMIDNFXNPTUPO-UHFFFAOYSA-N 181.210 1.783 10 10 ADCE CC1(C)[C@@H](N)[C@H]1c1cccc(O)c1O 1535734051 HRIKQTWLNXUCAK-SCZZXKLOSA-N 193.246 1.549 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1C[C@H]1F 1881108390 QTONOOXBYIIFBU-NKWVEPMBSA-N 172.207 1.587 10 10 ADCE C[C@H](Oc1ccc(N)cc1)[C@@H](C)N 1883787080 VDXMMEVXMADPAN-SFYZADRCSA-N 180.251 1.383 10 10 ADCE C[C@H](F)CN(C)c1ccc(CN)cc1 1884521822 FLXIPQSCHXKBSL-VIFPVBQESA-N 196.269 1.940 10 10 ADCE Oc1ccc(F)cc1CN[C@H]1C[C@H]1F 1887538682 WSABVOOYYZJDTR-BDAKNGLRSA-N 199.200 1.731 10 10 ADCE COC(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1934380187 CASLCPFBTGJMQF-ZETCQYMHSA-N 198.226 1.918 10 10 ADCE C[C@H](O)CN1CCC[C@H](N=[N+]=[N-])CC1 1934382077 XLUMMWLLZYMVSF-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CC[C@](O)(CC1CC1)C(=O)C(C)=O 1934733305 NQYGBQWYOHMCRC-JTQLQIEISA-N 184.235 1.086 10 10 ADCE CC(=O)C(=O)c1ccc(Cl)nc1 1951868004 IKSWKVQWHQVCFL-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE CCC/C=C/[C@H](O)[C@H](CO)N=[N+]=[N-] 34404888 OZGOTMGSRJLYEO-VEVSIANRSA-N 185.227 1.375 10 10 ADCE [N-]=[N+]=NCCN1C(=O)CCCCC1=O 42416122 RIIUBIFFKWXEHN-UHFFFAOYSA-N 196.210 1.226 10 10 ADCE C[C@H](c1cc(F)ccc1O)N(C)O 82877802 NDKZWLHRZAKPNW-ZCFIWIBFSA-N 185.198 1.913 10 10 ADCE Nc1ccccc1N[C@@H]1CCOC1 87783307 MENVFVMSUBNEOI-MRVPVSSYSA-N 178.235 1.470 10 10 ADCE N[C@H](CO)c1sc(C2CC2)cc1O 108311066 SBVFKMHODHDEHW-ZCFIWIBFSA-N 199.275 1.323 10 10 ADCE CN(C)NCc1ccc(N(C)C)cc1 134204183 GQZAURHEQKRWFK-UHFFFAOYSA-N 193.294 1.319 10 10 ADCE C[C@H]1C[C@@H](C)N(C[C@@H](O)CN=[N+]=[N-])C1 203325861 YGVLNUUWJTUVJZ-YIZRAAEISA-N 198.270 1.388 10 10 ADCE COc1c(C)c(C)cc(O)c1O 212322732 KJDQLAJZNRYBSW-UHFFFAOYSA-N 168.192 1.723 10 10 ADCE CCN(CC)Cc1cccc(N)c1O 215662694 AETCXECFKOVOQG-UHFFFAOYSA-N 194.278 1.816 10 10 ADCE CCO[C@@H](CN)c1ccc(O)c(O)c1 217038198 OGMYIXYLBQTNIC-JTQLQIEISA-N 197.234 1.134 10 10 ADCE CC1(C)C(=O)C(=O)[C@@]2(C)C=C[C@H]12 238224381 BFADITIBMYCZHO-LDWIPMOCSA-N 164.204 1.357 10 10 ADCE COC(=N)[C@H](C)N=[N+]=[N-] 238343196 PJLOWULWALGGHG-VKHMYHEASA-N 128.135 1.309 10 10 ADCE COC(=O)c1sc2cc[nH]c2c1O 259826573 QUWHEWIWBNQQSW-UHFFFAOYSA-N 197.215 1.722 10 10 ADCE COC1=CN/C(=C(/O)N=N)C=C1 379329966 LTVPQSACPAJMJV-OAFDFZECSA-N 167.168 1.392 10 10 ADCE CC(C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403657229 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104523125 XNGBBEKBADJNTO-ZCFIWIBFSA-N 167.208 1.378 10 10 ADCE Nc1ccccc1N[C@H]1CCCNC1 148461677 IKNSURIQZVGLLX-VIFPVBQESA-N 191.278 1.433 10 10 ADCE COC(=O)[C@]1(O)CCCC[C@H]1N=[N+]=[N-] 210081374 XYTTUFMOTNELFH-SVRRBLITSA-N 199.210 1.143 10 10 ADCE NC1(c2ccc(O)cc2O)CC1 221194712 VJDAYTYORVORLR-UHFFFAOYSA-N 165.192 1.046 10 10 ADCE NCCCCCOc1ccc(N)cc1 238559692 YGPZGCXTTQJYDO-UHFFFAOYSA-N 194.278 1.777 10 10 ADCE CN(C)N=Nc1cccnc1 255978317 IDRFBGHJCGDXRW-UHFFFAOYSA-N 150.185 1.642 10 10 ADCE CCOc1ccc(N(C)CNC)cc1 258905224 OOMIGROTZIWXCM-UHFFFAOYSA-N 194.278 1.698 10 10 ADCE C[C@H]1C[C@@H](N(C)CCN=[N+]=[N-])CCO1 721464836 LVQLROWROHIJCV-IUCAKERBSA-N 198.270 1.796 10 10 ADCE Cc1cncc([C@@H](CO)N=[N+]=[N-])c1 1535853972 KIIBNOVWMALHLU-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE CO[C@@H]1C[C@H]1CN1CC(N=[N+]=[N-])C1 1882813189 LEQIMEIFLLINQX-POYBYMJQSA-N 182.227 1.016 10 10 ADCE CN(CCN=[N+]=[N-])c1ccnn1C 1954105693 RNCIRGFPZXSQCA-UHFFFAOYSA-N 180.215 1.167 10 10 ADCE CCCN(CCCN=[N+]=[N-])C1CNC1 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CCO[C@H](CO)c1ccc(O)c(O)c1 139710002 COLNPBLCBNGSQE-SNVBAGLBSA-N 198.218 1.168 10 10 ADCE C[C@H](CO)C[C@@H](C)CN=[N+]=[N-] 212360132 SOFQMAFMVYCFOO-RQJHMYQMSA-N 157.217 1.951 10 10 ADCE NC1(c2c(O)cccc2Cl)CC1 221340033 RSMSMCIGILBVHD-UHFFFAOYSA-N 183.638 1.993 10 10 ADCE [N-]=[N+]=NCCCNC(=O)C(F)F 236135304 WVAAYQOHIXYJJA-UHFFFAOYSA-N 178.142 1.068 10 10 ADCE CN[C@H](C)c1cc(N)cc(F)c1O 238332460 PUDQQLQLCXSPDB-RXMQYKEDSA-N 184.214 1.394 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2C[C@H]1C[C@@H]2O 306785071 IXPWTCFEDBKIPY-VZFHVOOUSA-N 153.185 1.456 10 10 ADCE Nc1ccc(NCCOC2CC2)cc1 714974517 KHHZMNOZBSYHAK-UHFFFAOYSA-N 192.262 1.860 10 10 ADCE Nc1ccc(NC[C@H]2C[C@H]2N)cc1 1883132901 JMPSSCMMGSEZOH-GMSGAONNSA-N 177.251 1.028 10 10 ADCE C[C@@H](C(=O)O)N1CCC[C@@H]1CN=[N+]=[N-] 1885287266 PBZVGBLRXRYZBK-NKWVEPMBSA-N 198.226 1.234 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1[C@H]1CC[C@@H]1O 1885288789 XUZVDJFGZVLUMB-VGMNWLOBSA-N 196.254 1.284 10 10 ADCE CN(CCCN=[N+]=[N-])c1ccnn1C 1956998637 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10 ADCE Nc1ccc(O)c(CN2CC=CC2)c1 306666209 ZFZRZAAHGYEZJE-UHFFFAOYSA-N 190.246 1.346 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H](N)[C@H](F)C1 307344051 MJZXEXNHDVRUDN-PBXRRBTRSA-N 158.180 1.515 10 10 ADCE CC(=O)C(=O)CS[C@@H](C)C(C)C 308099068 FNMBOAUOORNNRZ-QMMMGPOBSA-N 188.292 1.922 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H]1CCCCO1 1535860056 BYJQWDGMIZJSDH-RNFRBKRXSA-N 171.200 1.227 10 10 ADCE CC[C@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 1885288823 YCZVFANWRDWSJR-IUCAKERBSA-N 198.270 1.532 10 10 ADCE Nc1ccc(CCN[C@@H]2C[C@H]2F)cc1 1887538297 UVFKEUFCIQVRPW-GHMZBOCLSA-N 194.253 1.511 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1C2C[C@@H]3C1[C@@H]3C2 1888533905 UWVZNTIYWZZRLZ-URESZAIDSA-N 192.266 1.883 10 10 ADCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@H]1O 1890273746 ZPGOHOKRIBCXIS-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NC[C@@H]1CSC(=O)C1 1951373633 CQQMMHJZKPVXTG-SCSAIBSYSA-N 157.198 1.576 10 10 ADCE CC[C@@H]1C[C@]1(N)c1ccc(O)cc1O 1951729504 PXBCORMQTIODAZ-RDDDGLTNSA-N 193.246 1.682 10 10 ADCE Cc1cccc(C2(N)CC(O)C2)c1O 1952135867 POJHEKADFFRXAO-UHFFFAOYSA-N 193.246 1.009 10 10 ADCE CN[C@H](CF)c1cccc(O)c1O 1952568258 MSEXAWPEDSJBGQ-SSDOTTSWSA-N 185.198 1.328 10 10 ADCE CC1(C)[C@@H](CN)CCN1CCN=[N+]=[N-] 1957244134 MTOHLZHMVHHDSM-MRVPVSSYSA-N 197.286 1.356 10 10 ADCE CN(CCCN=[N+]=[N-])C1(CN)CCC1 1957248065 AIWWXBBLKNPSAA-UHFFFAOYSA-N 197.286 1.500 10 10 ADCE CN/N=N\c1ccc(C(=O)O)cc1 5132990 BOCQEKBKBUOBCR-UHFFFAOYSA-N 179.179 1.603 10 10 ADCE CCOC1CCN(CCN=[N+]=[N-])CC1 42416013 CGDBRFJJIYZUGT-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE C[C@@H]1C[C@H]1NCc1cccc(O)c1O 52275165 YTKFHQVGWXMFDL-VXNVDRBHSA-N 193.246 1.596 10 10 ADCE CCC(=O)C(=O)c1cccnc1 84427622 GBQCHSLYRXDXGJ-UHFFFAOYSA-N 163.176 1.243 10 10 ADCE C[C@@H](N)c1c(O)cc(F)c(F)c1F 95717527 LWHABDUFGRNHSA-GSVOUGTGSA-N 191.152 1.829 10 10 ADCE CC(C)[C@@H](N)c1cccc(CO)c1O 104452237 AUNRXJKGAHPXKX-SNVBAGLBSA-N 195.262 1.540 10 10 ADCE O=C1c2ccccc2C(=O)[C@H]2C[C@H]12 169540377 CDWPPYKYHSWCBG-IUCAKERBSA-N 172.183 1.702 10 10 ADCE [N-]=[N+]=NC1CCC2(CC1)OCCO2 201084429 XEQYTVWTBFZWLU-UHFFFAOYSA-N 183.211 1.982 10 10 ADCE C[C@H](O)[C@H](C)Nc1ccccc1N 204139127 MNWZVMFHMQYFHZ-YUMQZZPRSA-N 180.251 1.450 10 10 ADCE CC(=O)c1ccc(F)c(O)c1O 212415709 HFPLWMUTGKMNGQ-UHFFFAOYSA-N 170.139 1.440 10 10 ADCE Cc1ccc2ccc(O)c(O)c2n1 238528418 GVLHNBUPNCIILV-UHFFFAOYSA-N 175.187 1.954 10 10 ADCE N[C@H]1CCc2c(O)ccc(O)c21 238621836 KHLBKGURLBBEBF-LURJTMIESA-N 165.192 1.044 10 10 ADCE Cc1cc([C@@H](C)O)c(O)c(O)c1C 258126536 RDDHWUUQVYJQMA-SSDOTTSWSA-N 182.219 1.768 10 10 ADCE Cc1c(C[C@H](C)N)ccc(O)c1O 307496211 CJZALDZZYXMJPZ-LURJTMIESA-N 181.235 1.296 10 10 ADCE CCNC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692887220 XVHSUZIYWLQZGN-SSDOTTSWSA-N 197.242 1.491 10 10 ADCE [N-]=[N+]=NCCN1CC[C@]2(CCOC2)C1 708285459 HPNFAXQIZVWSSZ-VIFPVBQESA-N 196.254 1.409 10 10 ADCE CC1(C)CN[C@H](CN=[N+]=[N-])O1 885255836 RGPKAKHIZFQPPA-YFKPBYRVSA-N 156.189 1.021 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)N1CCCC1 885854000 HBFCGPSMUCMVMQ-UHFFFAOYSA-N 197.242 1.444 10 10 ADCE C[C@H]1CNC[C@H]1Nc1ccccc1N 1888905054 JMWMLPBICRDPGI-GZMMTYOYSA-N 191.278 1.289 10 10 ADCE Cc1cccc(N)c1N[C@@H](C)[C@H](C)N 1888912463 FWBQXOICTFSDJE-IUCAKERBSA-N 193.294 1.725 10 10 ADCE C[C@H]1CN(c2ccc(N)cc2)C[C@@H]1N 1888915085 NTZOUNJYMOURIZ-KWQFWETISA-N 191.278 1.052 10 10 ADCE C[C@@H]1[C@H](O)CCN1CCCCN=[N+]=[N-] 1912156022 SBEHTAKKABQEGO-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C[C@@H]1F 1912165450 KYCKGCRMSXXQGI-SFYZADRCSA-N 186.234 1.977 10 10 ADCE COC(OC)[C@@H](N)c1ccccc1O 1928470903 GXNOFHOWVOLOSB-VIFPVBQESA-N 197.234 1.011 10 10 ADCE Cc1ccc(CN[C@H](C)CN)c(O)c1 1956734974 AWMQMUYHCVUJQQ-SECBINFHSA-N 194.278 1.137 10 10 ADCE CC[C@H]1CNCCCN1CCN=[N+]=[N-] 1957244003 KVWMPWFWFBEEIJ-VIFPVBQESA-N 197.286 1.371 10 10 ADCE COC1(CN=[N+]=[N-])CCOCC1 2241358046 LKGTVDNUMIYUJI-UHFFFAOYSA-N 171.200 1.492 10 10 ADCE COC(=O)[C@H]1CC=C[C@H](N=[N+]=[N-])C1 34290900 MXRQELUHZUPJBB-BQBZGAKWSA-N 181.195 1.805 10 10 ADCE CO[C@H]1OCCC[C@H]1N=[N+]=[N-] 34588796 DPHZEZDBPXIVPA-RITPCOANSA-N 157.173 1.448 10 10 ADCE [N-]=[N+]=CC(=O)c1cccc(Cl)c1 82131576 BRLBAVATUULPLC-UHFFFAOYSA-N 180.594 1.823 10 10 ADCE Cc1ccc(O)c([C@H]2COCCN2)c1 82892703 QKNOZASJHXFFBG-SNVBAGLBSA-N 193.246 1.362 10 10 ADCE Cc1ccc([C@@H](N)[C@@H](C)O)c(O)c1 95672875 QTRMHNAJUGDJLM-XCBNKYQSSA-N 181.235 1.081 10 10 ADCE N[C@H]1CCOc2cccc(O)c21 107160554 NJFPPJLVHCNRGC-LURJTMIESA-N 165.192 1.175 10 10 ADCE Nc1ccc(CN2CC=CC2)cc1 116323205 XDVLZNTXFMILTC-UHFFFAOYSA-N 174.247 1.641 10 10 ADCE CC[C@@H]1OCC[C@@H]1N=[N+]=[N-] 214312857 PLIXPUXOYJKHHV-WDSKDSINSA-N 141.174 1.864 10 10 ADCE NCc1cc(F)c(F)c(Cl)c1O 214753720 SVRDIPVIZJZLKV-UHFFFAOYSA-N 193.580 1.783 10 10 ADCE C[C@@]1(N)CCOc2cccc(O)c21 219531662 ZPKWQRQUYKALSH-SNVBAGLBSA-N 179.219 1.349 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])[C@@H]1CO 227197897 VFYQVMIOUUJEJD-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE CN1C[C@H]2CC(N=[N+]=[N-])C[C@@H]2C1 238352661 WHORWLORTLIMOT-RNFRBKRXSA-N 166.228 1.637 10 10 ADCE Cc1cc(N)c(O)c(C(C)(C)N)c1 238561030 NEZFQUTUNBSBJZ-UHFFFAOYSA-N 180.251 1.477 10 10 ADCE Nc1cc(F)c(O)c2c1CC[C@@H]2N 238620676 UBMOCWRUPFIWKW-LURJTMIESA-N 182.198 1.060 10 10 ADCE COC[C@@]1(C)CCN(CCN=[N+]=[N-])C1 381407464 WXIOLJZPRZADMA-VIFPVBQESA-N 198.270 1.655 10 10 ADCE CC(C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 403657231 WBFRHEGLCUGNPX-QMMMGPOBSA-N 196.254 1.944 10 10 ADCE Nc1ccc(N2CC[C@H]3C[C@H]32)cc1 575537927 JEJBTIPWINZWAL-GZMMTYOYSA-N 174.247 1.867 10 10 ADCE Oc1ccc(OCC2CC2)cc1O 694957813 LYZKDSNHMUCRGL-UHFFFAOYSA-N 180.203 1.887 10 10 ADCE CC[C@@H](C)N1CCC(=O)[C@@H]1CN=[N+]=[N-] 712062358 MUYIRFXAURSDIE-SFYZADRCSA-N 196.254 1.739 10 10 ADCE Nc1ccc(NC[C@@H](N)C2CC2)cc1 1888904476 AUFVKOBCRKIINS-LLVKDONJSA-N 191.278 1.418 10 10 ADCE C[C@@H](O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912183182 MELCQQIGBGZKJD-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE N[C@H](c1ccccc1O)C1CSC1 1928477837 YZPIHBHXMBSFNY-JTQLQIEISA-N 195.287 1.755 10 10 ADCE CNC[C@H]1C[C@@H]1c1ccc(O)c(O)c1 1951858098 FCRNROMGLHXOAN-RKDXNWHRSA-N 193.246 1.421 10 10 ADCE C[C@@H]1C[C@@H](N)CCN1CCN=[N+]=[N-] 1954206057 AAUIBTBLDPZPEB-SFYZADRCSA-N 183.259 1.108 10 10 ADCE CCCC(=O)c1ccc(O)c(O)c1O 34484733 FJTVDEATKNGOFK-UHFFFAOYSA-N 196.202 1.786 10 10 ADCE Cn1cnnc1SCCCN=[N+]=[N-] 42416393 GDDHOZJGODQHMC-UHFFFAOYSA-N 198.255 1.608 10 10 ADCE CC(=O)N(C)Cc1ccccc1O 70227131 HASNTJXVSSPMQF-UHFFFAOYSA-N 179.219 1.371 10 10 ADCE Nc1cc(-c2ccc(O)c(O)c2)no1 74271056 NGYDDPFIJIXEJK-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE CCC[C@H](NCCN=[N+]=[N-])C(=O)O 85223824 UPGJEOMZCIOCTK-LURJTMIESA-N 186.215 1.140 10 10 ADCE C[C@@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 95671551 MQENUQNPQRFXKA-SCSAIBSYSA-N 198.178 1.026 10 10 ADCE Oc1ccc(O)c([C@@H]2CCN2)c1 95784709 GNVIICCXJLUZCX-QMMMGPOBSA-N 165.192 1.132 10 10 ADCE CCC(CC)NC(=O)CN=[N+]=[N-] 104801726 NKAINRWFBVXPIP-UHFFFAOYSA-N 170.216 1.602 10 10 ADCE C[C@@H](NN(C)C)c1ccc(O)cc1O 134050170 ZFWWRPURMBBLLV-SSDOTTSWSA-N 196.250 1.225 10 10 ADCE Cc1cccc([C@@H](O)CN=[N+]=[N-])n1 142681687 UHQJQQXKDSCCJU-QMMMGPOBSA-N 178.195 1.734 10 10 ADCE CN(C)/N=N/c1ccc(N)cc1 206847825 OAWOFWQMFFVNDP-ZHACJKMWSA-N 164.212 1.829 10 10 ADCE CCc1cc(CNO)c(O)cc1OC 214882616 NABWVHMUVDXDJJ-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE CCOc1ccc(O)c2c1CC[C@@H]2N 238291067 LEGJBJZJZNKHGY-QMMMGPOBSA-N 193.246 1.737 10 10 ADCE O=c1oc2ccc(O)c(O)c2s1 238675059 NVUWWOPPHKGRHU-UHFFFAOYSA-N 184.172 1.266 10 10 ADCE CCOC(=O)[C@@]1(N=[N+]=[N-])C[C@@H]1C 238797834 QRTASCNDCUSNJD-CAHLUQPWSA-N 169.184 1.638 10 10 ADCE CCN=NCCCN(C)C 396684344 PSKFZWTXVLPHDU-UHFFFAOYSA-N 143.234 1.410 10 10 ADCE CNN[C@H](C)c1cc(C)ccc1O 704699520 QKCGYWNGASMSRT-MRVPVSSYSA-N 180.251 1.486 10 10 ADCE C[C@@H]1C[C@H](O)CCN1CCN=[N+]=[N-] 706114304 JONBOHCFGRHLQG-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE CCOC(OCC)[C@H](CO)N=[N+]=[N-] 1536204176 UVVVKLBHXUCPFS-LURJTMIESA-N 189.215 1.057 10 10 ADCE CN(CCCCCN)CCN=[N+]=[N-] 1882586074 SUXLTKJPSQTDNF-UHFFFAOYSA-N 185.275 1.358 10 10 ADCE C[C@H]1CCOCCN1CCN=[N+]=[N-] 1912146056 OULQRCGZEMLZMC-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE CO[C@H]1CN(CCN=[N+]=[N-])CC1(C)C 1912146402 RMBWGJPZWIQUII-QMMMGPOBSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@H]2C1=O 1912153656 CVTKWQARUGBVFH-JGVFFNPUSA-N 194.238 1.555 10 10 ADCE C[C@H](CO)N1CCC(N=[N+]=[N-])CC1 1912207293 NOPKVVKHWGTOOT-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE CC[C@H](CN)NCc1ccccc1O 1928450424 WOTPBSGKQAYVTM-SNVBAGLBSA-N 194.278 1.219 10 10 ADCE CC[C@H]1CCC[C@]1(O)C(=O)C(C)=O 1929175739 VKWDHDXMBCIWDV-WCBMZHEXSA-N 184.235 1.086 10 10 ADCE CC1(F)CN(Cc2ccc(N)cc2)C1 1930298752 DYGCQJOSNYHZQR-UHFFFAOYSA-N 194.253 1.813 10 10 ADCE N[C@@H]1CCc2cc(N3CCC3)ccc21 1951323414 ZWQCXLNGKXICBZ-GFCCVEGCSA-N 188.274 1.843 10 10 ADCE CC(C)[C@@H]1O[C@@H](CN=[N+]=[N-])N[C@H]1C 1954443395 DWPANWFDHZLAHW-FXQIFTODSA-N 184.243 1.656 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2OCC[C@@H]2C1 1956920101 UYBIIHJQARINEH-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE CC(C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209521536 WGOBPRIEPCLIHV-HTQZYQBOSA-N 196.254 1.990 10 10 ADCE [N-]=[N+]=NCCCSCCO 42416447 VQXIZFMKQFXNBM-UHFFFAOYSA-N 161.230 1.412 10 10 ADCE CC[C@@H](C)S(=O)(=O)CCN=[N+]=[N-] 42416522 FGTTZVBJUILRIC-ZCFIWIBFSA-N 191.256 1.510 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@@H]1CO 42432510 NKNDFLBUZJCBKL-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE C[C@H](NC1CC1)c1ccc(O)c(O)c1 84353703 ATWPRNGCSLPSPG-ZETCQYMHSA-N 193.246 1.911 10 10 ADCE CN(CCCN=[N+]=[N-])CC(C)(C)O 86274756 SQZMWDARQHLPQY-UHFFFAOYSA-N 186.259 1.390 10 10 ADCE COc1cccc([C@@H]2CCN2)c1O 95785066 AIBRDKKOOZDKKF-QMMMGPOBSA-N 179.219 1.435 10 10 ADCE CC(C)(C)[C@H]1CC(=O)C1=O 139208145 LHDVWDXDKAKQBK-YFKPBYRVSA-N 140.182 1.191 10 10 ADCE CC[C@H](O)c1cccc(O)c1O 140555137 VCTFYMKANZNZGJ-ZETCQYMHSA-N 168.192 1.541 10 10 ADCE CC1=C/C(=C\N)C(=S)O1 142272960 HZKRIUNGMXTJHJ-HWKANZROSA-N 141.195 1.090 10 10 ADCE Nc1ccc(CCn2ccnn2)cc1 143025878 ZUINNLVNIDMOQB-UHFFFAOYSA-N 188.234 1.103 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@H](N=[N+]=[N-])CN1 208290598 RXKRZJAYBMEONG-RFZPGFLSSA-N 167.176 1.338 10 10 ADCE CN1CCc2ccc(F)c(O)c2C1 212921498 KATBXQABGRGLFG-UHFFFAOYSA-N 181.210 1.519 10 10 ADCE Cc1cc(CNO)c(O)c(F)c1O 214470148 DESAOIPDZLALKX-UHFFFAOYSA-N 187.170 1.024 10 10 ADCE COc1cc(C2(N)CC2)c(O)cc1F 214872646 ORUVESZAEPFWLC-UHFFFAOYSA-N 197.209 1.488 10 10 ADCE CC(=S)/C=C1/NCCS1 223294499 MUMCQQSDRHNXAU-XQRVVYSFSA-N 159.279 1.554 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@@H](N=[N+]=[N-])O1 238534005 MHTRYPCUXGBIFE-IMJSIDKUSA-N 152.117 1.846 10 10 ADCE COc1cc(CNO)c(O)cc1F 258201180 YMTXSSOHGVDLCJ-UHFFFAOYSA-N 187.170 1.019 10 10 ADCE C/C=C/C=C(/N=[N+]=[N-])C(=O)OC 394926514 FUMZAPGUUKHVAR-VNKDHWASSA-N 167.168 1.930 10 10 ADCE CC1=C=C(C)C(C(N)=O)=C(N=[N+]=[N-])N1 885573179 RJTQJTTYELKVRL-UHFFFAOYSA-N 191.194 1.046 10 10 ADCE COC[C@@H]1CC[C@@H](N=[N+]=[N-])C[C@H]1O 1882579519 QUKOYZAVDQSFFR-XLPZGREQSA-N 185.227 1.473 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CCC[C@@H]1COC2 1895632124 KVISQFAWAPZNFR-DTORHVGOSA-N 196.254 1.550 10 10 ADCE C[C@@H](CN(C)C)N1CC[C@@H](N=[N+]=[N-])C1 1912158416 XEQXGLHGYNYXFQ-DTWKUNHWSA-N 197.286 1.321 10 10 ADCE CC(C)(C)[C@H]1CN[C@@H](CN=[N+]=[N-])OC1 1912189846 WOQZLFPTVBIFKY-JGVFFNPUSA-N 198.270 1.905 10 10 ADCE C[C@H]1OCC[C@@]1(N)c1ccccc1O 1928466123 BKUKCYNESXDJJN-KCJUWKMLSA-N 193.246 1.355 10 10 ADCE C[C@@H]1COC[C@]1(N)c1ccccc1O 1928467519 LHIPBXIMZGYJMF-LDYMZIIASA-N 193.246 1.213 10 10 ADCE N[C@@H](c1ccc(F)cc1O)C1(O)CC1 1952414966 LUAMQVXHDKSTCI-VIFPVBQESA-N 197.209 1.056 10 10 ADCE Nc1ccc(N2CCO[C@@H]3C[C@@H]32)cc1 1956876882 MTQZHSZJQHRJCJ-WDEREUQCSA-N 190.246 1.246 10 10 ADCE Nc1ccc(N[C@@]23CNC[C@H]2C3)cc1 2210027373 VFFDSDKOECXYDJ-KCJUWKMLSA-N 189.262 1.043 10 10 ADCE [N-]=[N+]=NCCN1CCCCCC1=O 34479753 PJWBCHYUMKKFHU-UHFFFAOYSA-N 182.227 1.699 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H](N=[N+]=[N-])CN1 90366821 RXKRZJAYBMEONG-WHFBIAKZSA-N 167.176 1.338 10 10 ADCE C[C@H](N)c1ccc2c(c1O)OCO2 95770234 BYECQZNPGODBPY-YFKPBYRVSA-N 181.191 1.141 10 10 ADCE C[C@@H](CO)N(C)Cc1ccc(N)cc1 123980919 XOBWXUKXDGGVOF-VIFPVBQESA-N 194.278 1.081 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H](CO)C1 197008828 QLBOJLSVGFBYOQ-NTSWFWBYSA-N 141.174 1.458 10 10 ADCE 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1.639 10 10 ADCE CC1(C[C@@H](O)CN=[N+]=[N-])CC1 1880543134 IBKVBMKDMYYHGJ-ZCFIWIBFSA-N 155.201 1.848 10 10 ADCE Nc1ccc(N2CC[C@@H]2CF)cc1 1882568546 JGTITGMMDGPZKO-SNVBAGLBSA-N 180.226 1.817 10 10 ADCE CC[C@@H](O)CN1CC[C@@H](N=[N+]=[N-])C1 1912172142 RLFZKPKMIKXPDY-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE CO[C@H](CN=[N+]=[N-])[C@H]1CCCOC1 1912184363 YHPFFZOZHXZEEV-JGVFFNPUSA-N 185.227 1.738 10 10 ADCE C[C@H](CO)CN1CCC(N=[N+]=[N-])CC1 1912200152 CQGAUEQWBLLUPY-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE C[C@@H]1CCC[C@@H]([C@H]2CCC(=O)C2=O)N1 1932574178 VZQHTCUZIPLCFN-HLTSFMKQSA-N 195.262 1.065 10 10 ADCE CC(=O)C(=O)C1CC(F)(F)C1 1951937780 YZHHHWBUGUNJFT-UHFFFAOYSA-N 162.135 1.190 10 10 ADCE CC1(CF)[C@]2(C)CC[C@@]1(C)C(=O)C2=O 2078861911 JUMSHAPSGOBQCE-ZACCUICWSA-N 198.237 1.920 10 10 ADCE CSc1ncc(CNC#N)s1 2241589434 PNPXTTCZXSSGBR-UHFFFAOYSA-N 185.277 1.436 10 10 ADCE CCC[C@H](N)c1cccc(O)c1O 95760370 ABFLKUZPUQLUJL-QMMMGPOBSA-N 181.235 1.898 10 10 ADCE CC[C@@](C)(CN)c1ccc(O)c(O)c1 107185093 ALEWEOQNOLYCPA-NSHDSACASA-N 195.262 1.724 10 10 ADCE CONCc1cccc(OC)c1O 134242652 MBIRJGMOJXAYHJ-UHFFFAOYSA-N 183.207 1.052 10 10 ADCE CCON[C@H](C)c1ccc(O)cc1O 134256667 OVTHHFWNFYULGC-SSDOTTSWSA-N 197.234 1.700 10 10 ADCE CC[C@@H]1C[C@@]1(N=[N+]=[N-])C(=O)OC 135870937 VOAULBFEAQNRHI-VDTYLAMSSA-N 169.184 1.638 10 10 ADCE Oc1ccc(C2=NNCC2)cc1 140061892 KUXGXOLYPUUERC-UHFFFAOYSA-N 162.192 1.090 10 10 ADCE CC[C@H](N)c1cccc(CO)c1O 211620966 YIQZAKMZGYPSMQ-VIFPVBQESA-N 181.235 1.294 10 10 ADCE O=[N+]([O-])c1cccc([C@H]2CCN2)c1O 211801699 JGWWHAGHEYQRTK-SSDOTTSWSA-N 194.190 1.335 10 10 ADCE COC(=O)NC[C@@H](N=[N+]=[N-])C(C)C 238313525 OOMIJFASOQZODA-ZCFIWIBFSA-N 186.215 1.677 10 10 ADCE COC[C@H]1Cc2cccc(O)c2CN1 257823769 GRGXOWDYZPJIGO-SECBINFHSA-N 193.246 1.053 10 10 ADCE OCc1c(O)c(O)cc2ccsc12 307433840 OEPPPCPPQQPJCG-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CC[C@@H](C)CSCC(=O)C(C)=O 308050114 RQYWLEKIJUZCMD-SSDOTTSWSA-N 188.292 1.924 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@@H]2C1=O 715699044 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197.209 1.470 10 10 ADCE C[P@@]1(=O)C[C@@H](N=[N+]=[N-])[C@@H](O)C1 1953331939 AJGACWFULZRRKB-QWMRMABFSA-N 175.128 1.033 10 10 ADCE CNc1cccc(CN=[N+]=[N-])n1 1953643271 BPGGALKZABVIRS-UHFFFAOYSA-N 163.184 1.934 10 10 ADCE COc1ccc(N2CCC2)c(C=O)c1 2209737635 SAYDEMWEGWFBSA-UHFFFAOYSA-N 191.230 1.718 10 10 ADCE CC1(OCc2ccc(N)cc2)COC1 2242115857 IOOCEOXEMVZBAL-UHFFFAOYSA-N 193.246 1.574 10 10 ADCE Cc1c(O)c(O)cc2cc[nH]c12 26663647 YCBKUMJFPOCXEZ-UHFFFAOYSA-N 163.176 1.888 10 10 ADCE Nc1nc2cc(O)c(O)cc2s1 39410347 GJQLLPGZBJKRIG-UHFFFAOYSA-N 182.204 1.290 10 10 ADCE COC(=O)C[C@H](C)N=[N+]=[N-] 42391363 CUASBZHYQZLWLL-BYPYZUCNSA-N 143.146 1.248 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H](CO)C1 42415717 AEOPFXHNDWRCNI-MRVPVSSYSA-N 184.243 1.001 10 10 ADCE CC(=O)CC(C)=S 100216882 BGSNUDVDPJRWRH-UHFFFAOYSA-N 116.185 1.355 10 10 ADCE NC(=O)c1sc(C2CC2)cc1O 212036635 DRSQRPHCSRVCBQ-UHFFFAOYSA-N 183.232 1.430 10 10 ADCE CC(C)[C@@H]1OC(=O)[C@@H](N=[N+]=[N-])[C@@H]1C 238170491 UYTRLCRYCALWFW-ACZMJKKPSA-N 183.211 1.883 10 10 ADCE C[C@H](N)c1cc(O)cc(F)c1O 238423148 PQICVJOUSRBVCK-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE [N-]=[N+]=NC[C@@]12COC[C@H]1C2 238592678 YYQUAWBXEKLPNZ-RITPCOANSA-N 139.158 1.333 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1cccc(O)c1 238707654 DIDQWHGIEULWJA-MRVPVSSYSA-N 179.179 1.736 10 10 ADCE NC/C=C/c1ccc(Cl)c(O)c1O 258076574 IMYDHSWEYHBWGG-OWOJBTEDSA-N 199.637 1.723 10 10 ADCE C[C@H]1CCO[C@@H](CN=[N+]=[N-])N1 885255499 MEEXPOZAUQBVIJ-WDSKDSINSA-N 156.189 1.021 10 10 ADCE [N-]=[N+]=NC[C@H]1CCN([C@@H]2CCOC2)C1 885814344 CMXCFHKBUFHWSP-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE NC[C@@H]1C[C@H]1CNc1ccc(N)cc1 1875836501 YIJVQOPUDNCZJY-IUCAKERBSA-N 191.278 1.276 10 10 ADCE Nc1ccccc1N[C@@H]1[C@@H]2CCO[C@@H]21 1884451637 KAJDNFHIRSUXDZ-XROYCOCOSA-N 190.246 1.468 10 10 ADCE [N-]=[N+]=NCCCN1CC2CC1C2 1912160768 AFZJWTXBBTZCCR-UHFFFAOYSA-N 166.228 1.781 10 10 ADCE CC[C@H](C(=O)O)N1CC[C@H](N=[N+]=[N-])C1 1912163534 KTHNTRNBPFVGNG-NKWVEPMBSA-N 198.226 1.234 10 10 ADCE CCN(C)CCN1CC[C@H](N=[N+]=[N-])C1 1912195029 CVXOBABQBURKOZ-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CC(=O)C(=O)[C@](C)(O)C1CCCC1 1929172714 PRCJTKAUMXYFMD-SNVBAGLBSA-N 184.235 1.086 10 10 ADCE CC(=O)C(=O)[C@@H](O)C1(C(C)C)CCC1 1929247676 XXMWDHAOMWAKAD-SNVBAGLBSA-N 198.262 1.332 10 10 ADCE COCc1ccc(C(=O)C(C)=O)cc1 1951509131 AHZKTAJXKAMYTB-UHFFFAOYSA-N 192.214 1.605 10 10 ADCE O=C1C[C@H]2CC(F)(F)C[C@@H]2C1=O 1953511480 ZSLGSJXQGGHVQH-WHFBIAKZSA-N 174.146 1.190 10 10 ADCE C[C@H]1CCCN(CCN=[N+]=[N-])[C@@H]1CN 1957244190 NMOQSTJLSPNZJV-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE CC[C@H]1CC=C[C@@](O)(C(=O)C(C)=O)C1 1957378646 OXFIJBSYFBCMTB-ONGXEEELSA-N 196.246 1.252 10 10 ADCE OCCCNCc1ccc(F)cc1O 1964535397 GJOUSHUPPCZVNT-UHFFFAOYSA-N 199.225 1.003 10 10 ADCE Nc1ccc(OC(F)F)c(O)c1O 2055195842 CBXZZVHYGLNJGD-UHFFFAOYSA-N 191.133 1.281 10 10 ADCE CO[C@H]1CC[C@@H]1CN(C)CCN=[N+]=[N-] 2209785020 CKNYLKWMEQTPEV-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE CN(C)c1ccc(C2(N)CC2)cc1 82398651 VGHBEKAKRFAMHK-UHFFFAOYSA-N 176.263 1.700 10 10 ADCE Nc1ccc(CCC2CNC2)cc1 212674748 VOFMUIDFFABBQG-UHFFFAOYSA-N 176.263 1.421 10 10 ADCE COc1ccc(O)c(O)c1C(C)=O 231368973 QKZDXXVZGFZHEW-UHFFFAOYSA-N 182.175 1.309 10 10 ADCE CC(C)(C)[C@@H](N)c1cc(O)nc(O)c1 238137825 GAQQQUNXJDETHY-VIFPVBQESA-N 196.250 1.539 10 10 ADCE N[C@H]1CCc2ccc(O)c(O)c21 238631476 HGSKZOIBQOUVJP-LURJTMIESA-N 165.192 1.044 10 10 ADCE CCN[C@H]1CCc2cccc(O)c21 257815521 CVUQZOHAXMDYQW-VIFPVBQESA-N 177.247 1.989 10 10 ADCE CN(CCCO)CCCN=[N+]=[N-] 300792767 HQMNONNWBPKCOQ-UHFFFAOYSA-N 172.232 1.001 10 10 ADCE OCc1c(O)ccc2scc(O)c12 306578605 MLKAAWSCHZOJDR-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE C=CC(=O)N1CCC(CN=[N+]=[N-])CC1 885688683 SDRXTMIEQPQPSL-UHFFFAOYSA-N 194.238 1.721 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(O)c(F)c1 1535797769 NYHNXQFCTLHSKI-ZETCQYMHSA-N 197.169 1.875 10 10 ADCE CN1CCc2cc(C[N+](=O)[O-])ccc21 1535880380 IJLDRGZXEGBPJM-UHFFFAOYSA-N 192.218 1.456 10 10 ADCE CCN1C(=O)C(=CO)c2ccccc21 1911602779 IBOFTICVBLSLQF-UHFFFAOYSA-N 189.214 1.952 10 10 ADCE CC[C@@H](OC)[C@@H](N)c1ccccc1O 1928472628 RWFOWPMOHZWCNA-MNOVXSKESA-N 195.262 1.817 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@@H]1C(C)C 1932511304 GLNXJQHJXJXGTP-KOLCDFICSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CCNC[C@H]1CC2 1957249351 JMFDIDZOPAVSAF-RKDXNWHRSA-N 195.270 1.123 10 10 ADCE C[C@@H]1CNN=C1c1ccc(O)cc1 75566612 VANDZQJYKZVFAW-SSDOTTSWSA-N 176.219 1.336 10 10 ADCE O=C1c2cccnc2-c2c(O)cccc21 82783024 RLPBFCYLLPJSIT-UHFFFAOYSA-N 197.193 1.999 10 10 ADCE C[C@@H]1C[C@@]1(N)c1ccc(N(C)C)cc1 84351030 ODDIVRWHBHCIBK-SKDRFNHKSA-N 190.290 1.946 10 10 ADCE CN[C@H](C)c1cc(C)cc(OC)c1O 104518646 QQEVJIPBRKWMLX-MRVPVSSYSA-N 195.262 1.990 10 10 ADCE COCN(C)c1ccc(OC)cc1 135705676 PLOFANCLNAAPPN-UHFFFAOYSA-N 181.235 1.735 10 10 ADCE CCOC(=O)/C(=C/O)CC 140773802 BDGAVKLSRUWOTR-AATRIKPKSA-N 144.170 1.401 10 10 ADCE Cc1ccc([C@H](C)O)c(O)c1O 212323504 GPMPCJXMLJVHIT-LURJTMIESA-N 168.192 1.460 10 10 ADCE CCc1ccc(OC)c(O)c1CNO 258215922 ZWXOOBDFLOLRJM-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE Oc1ccccc1[C@H]1C[C@H](O)CCN1 258475211 ITRFKCHBXDJLJV-PSASIEDQSA-N 193.246 1.178 10 10 ADCE C[C@H]1CN(c2ccc(CN)cc2)[C@H]1C 706756379 XLELWDRUJGUSCD-UWVGGRQHSA-N 190.290 1.990 10 10 ADCE C[C@@H](N)/C=C/c1cccc(O)c1O 1535734005 GSEDZHCMFPFPDN-WEWAHIQMSA-N 179.219 1.458 10 10 ADCE Cc1ccncc1[C@@H](CO)N=[N+]=[N-] 1535863526 XOJICQCMNUGBBG-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE [N-]=[N+]=NC(CF)CF 1879942040 IZABBLBCVKZYMN-UHFFFAOYSA-N 121.090 1.604 10 10 ADCE Nc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]32)cc1 1884448596 GMYWRURRYJHDLB-AXFHLTTASA-N 190.246 1.468 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)C1CC1 1887711785 AQNZVNAFNTUALE-UHFFFAOYSA-N 182.227 1.555 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)[C@@H]2CC[C@@H]21 1888265588 KCSXDWZWFGYKJT-VGMNWLOBSA-N 196.254 1.142 10 10 ADCE C[C@@H]1NCC[C@@H]1Nc1ccc(N)cc1 1888915576 SSMALWVFDYRXOC-KWQFWETISA-N 191.278 1.431 10 10 ADCE C[C@H](O)CCN1CC[C@@H](N=[N+]=[N-])C1 1912159671 KYBKJPMPLQMILK-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE Oc1cc([C@H](O)C2CC2)cc(O)c1O 1951374009 DJZMCEYNGCLSHZ-SECBINFHSA-N 196.202 1.247 10 10 ADCE CN(C=CC(=O)O)c1ccc(N)cc1 1955877414 UKHKKRKNEFSWAF-UHFFFAOYSA-N 192.218 1.303 10 10 ADCE CCOC(=O)/C=C/N=[N+]=[N-] 5828240 TVHAQPLDXOTSQI-ONEGZZNKSA-N 141.130 1.374 10 10 ADCE Cc1ccc(-c2cnncc2N)n1C 74277136 AVJUXXRPZHYMBC-UHFFFAOYSA-N 188.234 1.373 10 10 ADCE Cc1ccc(O)c([C@H](N)CCCO)c1 95659463 DLWKIONQEPOQIW-SNVBAGLBSA-N 195.262 1.473 10 10 ADCE CN[C@H](CO)c1c(C)cc(C)cc1O 104519330 JKKLBYJGWREFFQ-SECBINFHSA-N 195.262 1.262 10 10 ADCE Oc1ccc(O)c([C@@H]2CCCCN2)c1 104526265 SQROQCQCYPBDBQ-JTQLQIEISA-N 193.246 1.912 10 10 ADCE CNCc1cc2c(cc1O)CCO2 107338462 WAFJMSRFKUTHBC-UHFFFAOYSA-N 179.219 1.047 10 10 ADCE [N-]=[N+]=NCCCCCCON 145474166 CEDCDVVCXLUPQL-UHFFFAOYSA-N 158.205 1.747 10 10 ADCE CC(F)(F)c1ccc(O)c(CN)c1 213281740 NLEIILSSQPASFN-UHFFFAOYSA-N 187.189 1.963 10 10 ADCE Cc1cc(F)c(O)c(C2(N)CC2)c1 214261606 VYYUWNJMMCUZTC-UHFFFAOYSA-N 181.210 1.788 10 10 ADCE C/C=C(/C(=O)O)[C@@H](C)N=[N+]=[N-] 220865907 TXHSQPZMCJELRA-OFWOHVDASA-N 155.157 1.716 10 10 ADCE [N-]=[N+]=N[C@H](C(=O)O)c1cnsc1 238640225 AUYQYYVUGNEXEF-BYPYZUCNSA-N 184.180 1.579 10 10 ADCE CCCC[C@@](C)(N=[N+]=[N-])[C@H](O)CO 238795935 LECAIBMGMFYTGN-HTQZYQBOSA-N 187.243 1.599 10 10 ADCE CNC[C@H](c1ccccc1O)N(C)C 257888662 WRYFSBSZAFJRKJ-SNVBAGLBSA-N 194.278 1.214 10 10 ADCE Oc1ccc(CN2CCCC2)c(O)c1 258225561 XYICPDSWCLKATC-UHFFFAOYSA-N 193.246 1.694 10 10 ADCE OCc1cc2ccc(O)c(O)c2s1 306769456 AYFMIQMHOPRJTJ-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CCOc1ccc(CNC)c(O)c1 379366599 SANKPBZWUDUXRS-UHFFFAOYSA-N 181.235 1.510 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@@H](CO)C1 696767942 ZBHKODNZRNMWSO-SECBINFHSA-N 198.270 1.391 10 10 ADCE CC(C)(F)[C@H](CO)N=[N+]=[N-] 1535743507 JKTSGSBHQGKHAS-BYPYZUCNSA-N 147.153 1.406 10 10 ADCE C[C@H]1OCC[C@H]1CN=[N+]=[N-] 1535810819 MPBRBICUFPOELN-RITPCOANSA-N 141.174 1.722 10 10 ADCE Cn1cccc1[C@@H](CO)N=[N+]=[N-] 1535845799 GANLMZYTVKHVEO-ZCFIWIBFSA-N 166.184 1.369 10 10 ADCE CNCCCCOc1ccc(N)cc1 1896268460 HHZCHVAZPOODAK-UHFFFAOYSA-N 194.278 1.647 10 10 ADCE CC(=O)C(=O)[C@H](O)c1cscc1C 1935283174 INJQKYMVCFHXIP-SECBINFHSA-N 198.243 1.248 10 10 ADCE CN[C@H](COC)c1cccc(C)c1O 1951860647 MUSICEGRCMRNBM-SNVBAGLBSA-N 195.262 1.608 10 10 ADCE CC(=O)C(=O)[C@@H]1CCC(C)(C)C1 1952741210 IFJKXSPYBHROMH-MRVPVSSYSA-N 168.236 1.971 10 10 ADCE Oc1c(F)cccc1[C@@H]1C[C@H](F)CN1 1952889506 GBGWWXTWIKJOOB-RCOVLWMOSA-N 199.200 1.904 10 10 ADCE C[C@]1(F)CCC(=O)C(=O)C1 1953173300 KRZDGHHEVKXZEO-ZETCQYMHSA-N 144.145 1.037 10 10 ADCE C[C@@]12CC[C@@H](C(=[N+]=[N-])C1=O)[C@@]2(C)CF 2078862959 WHTFJOBYKALPDO-WQGWLQIFSA-N 196.225 1.632 10 10 ADCE COC(=O)[C@@H](C)CN=[N+]=[N-] 6020749 AWKLAGQCWMZXOZ-BYPYZUCNSA-N 143.146 1.106 10 10 ADCE CNCc1ccc(N(C)C)c(C)c1 50559995 TXWVVYFRSASSMY-UHFFFAOYSA-N 178.279 1.780 10 10 ADCE N=[N+]=c1c(=O)c2cccc3cccc1c32 96299933 WTSFKACDPYGPOE-UHFFFAOYSA-N 195.201 1.369 10 10 ADCE COc1cc(C(=O)C(C)=O)ccc1O 113541196 BCUDLMOGCPZQHY-UHFFFAOYSA-N 194.186 1.173 10 10 ADCE CCONCc1cc(C)ccc1O 134259615 AGWGSDYUSNCNKT-UHFFFAOYSA-N 181.235 1.742 10 10 ADCE N[C@H](c1cccc(CO)c1O)C1CC1 211625687 AFGGKUJPMYWIGR-JTQLQIEISA-N 193.246 1.294 10 10 ADCE CN(CC(N)=O)/N=N/c1ccccc1 214482811 RUCDKUQHIVALNK-VAWYXSNFSA-N 192.222 1.102 10 10 ADCE CC(C)C[C@@H]1CCCC(=O)C1=O 238156100 RXQQLBFTICLRND-QMMMGPOBSA-N 168.236 1.971 10 10 ADCE CC(C)C[C@](O)(CO)N=[N+]=[N-] 238163840 ZUOCYVKFVVBYHC-LURJTMIESA-N 159.189 1.024 10 10 ADCE C[C@H](N)c1cc(O)c(F)cc1O 238422930 WCCBFBXAONWMFR-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE C=Cc1ccc(O)c([C@@H](N)[C@@H](C)O)c1 238453128 CHTZHNYVQJACKT-HQJQHLMTSA-N 193.246 1.416 10 10 ADCE Cc1cc(O)nc(O)c1C(F)F 238488124 NMEVUAZDNBWRNK-UHFFFAOYSA-N 175.134 1.739 10 10 ADCE Nc1ccc([C@H](N)C2CC2)c(O)c1 238664618 HJAAEJYCAWHXJM-SNVBAGLBSA-N 178.235 1.384 10 10 ADCE Cc1cc([C@@H]2CCCN2)cc(O)c1O 258163121 VGHNAWMBVKQSST-VIFPVBQESA-N 193.246 1.831 10 10 ADCE C[C@@H]1C[C@@H](C)/C(=C/O)C(=O)O1 382639314 UCHNQCZZNJNGLD-LIXVMKRISA-N 156.181 1.400 10 10 ADCE CC(C)(C)[C@H]1CN[C@@H](CN=[N+]=[N-])O1 885458603 XKAOCTLRBMDHNA-RNFRBKRXSA-N 184.243 1.657 10 10 ADCE OCCC=Cc1cccc(O)c1O 1951593620 VIXRHXDUYNTKJF-UHFFFAOYSA-N 180.203 1.493 10 10 ADCE C[C@@H]1C[C@]1(N)c1ccc(O)cc1O 1951727496 FRVHIMGGKNELMD-LHLIQPBNSA-N 179.219 1.292 10 10 ADCE CC[S@@](=N)(=O)Cc1ccc(N)cc1 1953077708 UKAFDWOSZQFNBG-CYBMUJFWSA-N 198.291 1.835 10 10 ADCE CC[C@@H](NN)c1c(O)cccc1OC 2080487560 BPBADMDALNLIRI-SSDOTTSWSA-N 196.250 1.315 10 10 ADCE C[C@H](CN)Sc1nccs1 43514748 QNNFKKIBJMWNHR-RXMQYKEDSA-N 174.294 1.582 10 10 ADCE CC(C)[C@H](CN)c1ccc(O)c(O)c1 82907450 GFDSOUGOQCCTRL-VIFPVBQESA-N 195.262 1.796 10 10 ADCE COc1cccc(CC(=O)C=[N+]=[N-])c1 114088155 BVACKFWLYWLUKV-UHFFFAOYSA-N 190.202 1.107 10 10 ADCE C[C@@H](CO)N(C)c1ccc(N)cc1 123904861 WHESILLMNAIHCR-QMMMGPOBSA-N 180.251 1.086 10 10 ADCE C[C@@H](N)c1ccc(F)c(O)c1O 211982678 OEDKDDJLVLOQPI-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE CNCc1c(F)ccc(OC)c1O 212049572 CVPWRHMGMSQHOL-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE COc1cc(O)c2c(c1)CCN[C@H]2C 213702100 VESZPWKLDQSAIC-ZETCQYMHSA-N 193.246 1.608 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1CCCC1 215852830 BSSDBWLOGSNRGR-ZETCQYMHSA-N 155.201 1.848 10 10 ADCE CC(=O)O[C@@H]1CSC[C@@H]1N=[N+]=[N-] 238068062 LJVSBWAFAMPUNI-NTSWFWBYSA-N 187.224 1.344 10 10 ADCE CO[C@@H]1OCC[C@@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 238341522 IFVHXOIRWVHTTR-NGJCXOISSA-N 198.186 1.737 10 10 ADCE C[C@H]1CCC2(CC(=O)C(=O)C2)C1 238480487 VVTDILSTAPTIOU-ZETCQYMHSA-N 166.220 1.725 10 10 ADCE Nc1ccc(F)c(C2(N)CCC2)c1O 238644491 CQGUPGSWEMCCQQ-UHFFFAOYSA-N 196.225 1.451 10 10 ADCE O=C1C(=O)[C@H]2CCCC23CCC[C@H]13 238677033 UJYQCQPCEVBBSB-KQUALDNSSA-N 178.231 1.725 10 10 ADCE [N-]=[N+]=NCC1(CO)CCCC1 238696712 JRBFLHWUWQJBNQ-UHFFFAOYSA-N 155.201 1.849 10 10 ADCE C[C@H]1C[C@@H]1[C@H](O)CN=[N+]=[N-] 1880124998 FBPAQLOTYPTDAW-HCWXCVPCSA-N 141.174 1.314 10 10 ADCE [N-]=[N+]=NCC12CC(F)(CO1)C2 1893721827 DXFWFHRQPNSUQX-UHFFFAOYSA-N 157.148 1.568 10 10 ADCE C[C@H](O)CCCN1CC[C@H](N=[N+]=[N-])C1 1912165370 JUIOQWGPQDAKHB-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CCc1nsc(CN=[N+]=[N-])n1 1953231447 QXJYPNKVNCYJGS-UHFFFAOYSA-N 169.213 1.911 10 10 ADCE CCN=c1nc(CN=[N+]=[N-])cc[nH]1 1954833191 SHVJNEBFKAVKNH-UHFFFAOYSA-N 178.199 1.141 10 10 ADCE CC(C)COC1CN(CCN=[N+]=[N-])C1 1955279997 LBHJUKZSHMAIEZ-UHFFFAOYSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCc1cccc([N+](=O)[O-])c1N 1956286363 YIFBWQINJPMNGP-UHFFFAOYSA-N 193.166 1.987 10 10 ADCE COCCCc1ccc(O)c(O)c1 141856669 AERPCQFVPKRVIK-UHFFFAOYSA-N 182.219 1.677 10 10 ADCE CC[C@H](N)c1c(O)cccc1CO 238309440 XERCHKZGKJVBQC-QMMMGPOBSA-N 181.235 1.294 10 10 ADCE Cc1cc(C)c(CNCCO)c(O)c1 238539775 JILJQVXYMHLWRF-UHFFFAOYSA-N 195.262 1.091 10 10 ADCE [N-]=[N+]=NCN1CCN(CN=[N+]=[N-])CC1 238591723 FAWKVQJYKRLPJO-UHFFFAOYSA-N 196.218 1.140 10 10 ADCE CONCc1c(C)ccc(F)c1O 257991461 FQPCKCHNZQONMP-UHFFFAOYSA-N 185.198 1.491 10 10 ADCE CNC(=O)CC[C@H](C)N=[N+]=[N-] 307683304 GWJJVQOLUVSBPA-YFKPBYRVSA-N 156.189 1.211 10 10 ADCE CCN1CC[C@H](N(C)CCN=[N+]=[N-])C1 708404047 MWBFXEYHNMQZLU-VIFPVBQESA-N 197.286 1.323 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN([C@H]2CCOC2)C1 1912208961 XXDIJJPCFDDGGS-IUCAKERBSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=N[C@H]1[C@@H](O)C[C@@H]2CCC[C@@H]21 1953625756 IUGXYLCNEOTLJU-DKXJUACHSA-N 167.212 1.846 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@H]1C[C@@H]21 1954431710 BEZAVBXSEDIEQV-XGEHTFHBSA-N 178.239 1.637 10 10 ADCE Nc1ccc(N[C@H]2CC[C@@H]2O)cc1 1954545908 BRCPLBBRBWBJQZ-UWVGGRQHSA-N 178.235 1.204 10 10 ADCE C[C@@H]1CNCC[C@@H]1N(C)CCN=[N+]=[N-] 1957249606 LTCNZQVMPRWGTC-BDAKNGLRSA-N 197.286 1.227 10 10 ADCE C[C@@H]1NCCN(CCCN=[N+]=[N-])[C@H]1C 1957251154 YQOHNFJYMGWXIN-IUCAKERBSA-N 197.286 1.369 10 10 ADCE C[C@H]1CCN1C(=O)NCCCN=[N+]=[N-] 2241325632 OLEVSDCHBREPMR-ZETCQYMHSA-N 197.242 1.491 10 10 ADCE C[C@@H]1N[C@H](C)Cc2cc(O)c(O)cc21 71485098 KOGYNXRFBISGEZ-RQJHMYQMSA-N 193.246 1.693 10 10 ADCE C[C@@H](N)CSc1nccs1 81889433 GGDXYVBRXCUABV-RXMQYKEDSA-N 174.294 1.582 10 10 ADCE NCc1ccc(OCC2CC2)cc1O 95720742 GRTIWIMVTIJMKB-UHFFFAOYSA-N 193.246 1.640 10 10 ADCE CC[C@](N)(C(=O)O)c1ccccc1O 104396892 DAJDDMVADUEKQY-SNVBAGLBSA-N 195.218 1.041 10 10 ADCE [N-]=[N+]=Cc1ccc(Cl)cc1 137269546 KXLQYSSKKNBKJU-UHFFFAOYSA-N 152.584 1.989 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCC[C@@H]1N 202017909 RGTLKLIXHSTFSL-BQBZGAKWSA-N 154.217 1.814 10 10 ADCE Oc1cc(F)ccc1CNC1CC1 258046968 FCCGKOHPWQBNNY-UHFFFAOYSA-N 181.210 1.783 10 10 ADCE Nc1c(O)c(O)cc2ccsc12 306670788 DTNYLGBAVQAMTN-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CCON(C)CCc1ccc(N)cc1 396464631 KRUGCFYGQANLPC-UHFFFAOYSA-N 194.278 1.695 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H]2COC[C@@H]21 690802608 BOOPSAXUWPLWJU-IUCAKERBSA-N 196.254 1.408 10 10 ADCE CC1=C=S=C(C)C1=C=N 885226171 PJZCGLGMFYCTOT-UHFFFAOYSA-N 137.207 1.448 10 10 ADCE Cn1ccc2ccc([C@H]3C[C@H]3N)cc21 1535841812 RIZHBIUXRVYESN-GHMZBOCLSA-N 186.258 1.993 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H](F)C(F)(F)F 1536131735 FGIHTRAWTULXAM-GBXIJSLDSA-N 187.096 1.558 10 10 ADCE C[C@H](CO)N1CCC[C@H]1CN=[N+]=[N-] 1882184917 DQIQGIJMILSTLE-SFYZADRCSA-N 184.243 1.142 10 10 ADCE Cc1cccc(N)c1N[C@H]1CC[C@H]1N 1888904577 CGYBYGNRZZGBMM-SCZZXKLOSA-N 191.278 1.479 10 10 ADCE C[C@@H]1C[C@@H](Oc2ccc(N)cc2)CN1 1896321692 PJMALIZCQPVNEZ-LDYMZIIASA-N 192.262 1.398 10 10 ADCE C[Si](C)(C)CN1CC(N=[N+]=[N-])C1 1912144182 PKWQOKISUMJCST-UHFFFAOYSA-N 184.319 1.858 10 10 ADCE CCC[C@@]1(O)CCN(CCN=[N+]=[N-])C1 1912157938 UGOIDGGUBHGCSL-SECBINFHSA-N 198.270 1.534 10 10 ADCE COc1ccc(O)c(C(=O)C(C)=O)c1 1951522572 WZNISMJQCQQIRC-UHFFFAOYSA-N 194.186 1.173 10 10 ADCE NC1CC(Cc2ccc(O)c(O)c2)C1 1951729866 ALROUUVLPRMLOR-UHFFFAOYSA-N 193.246 1.378 10 10 ADCE Nc1ncccc1OCc1cocn1 1955514518 ZBOZHRKAGJNSDG-UHFFFAOYSA-N 191.190 1.231 10 10 ADCE C[C@@H]1CC[C@@H]1C(=O)NCCCN=[N+]=[N-] 2209769906 WUUXXHRAEBLNNH-SFYZADRCSA-N 196.254 1.849 10 10 ADCE CN(CCCN=[N+]=[N-])Cc1ncco1 2242190201 QONMDPFWUURSNJ-UHFFFAOYSA-N 195.226 1.807 10 10 ADCE CC(=O)C(=O)c1ccc(O)cc1 1562453 PQRIZEYPOXNMDQ-UHFFFAOYSA-N 164.160 1.164 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccccc1 42375166 JCGANCYVCAOITN-UHFFFAOYSA-N 190.206 1.727 10 10 ADCE NC1(CCc2ccc(O)c(O)c2)CC1 84353757 UBLCQMBAPBMNET-UHFFFAOYSA-N 193.246 1.522 10 10 ADCE C/C=C(\CN=[N+]=[N-])C(=O)OC 90366808 SIUUXJDABDJDEN-HWKANZROSA-N 155.157 1.416 10 10 ADCE COC[C@@H](N)c1ccccc1O 104659621 GSVFNSYJFVVVBG-MRVPVSSYSA-N 167.208 1.038 10 10 ADCE C[C@@H](O)CCN=[N+]=[N-] 159664664 QBLHJNILSZGNTF-SCSAIBSYSA-N 115.136 1.068 10 10 ADCE CN1CCC[C@@H]1CN=[N+]=[N-] 200788724 NSHYEOXMFDMZOE-ZCFIWIBFSA-N 140.190 1.391 10 10 ADCE C[C@H](Nc1ccccc1N)[C@@H](C)O 204139108 MNWZVMFHMQYFHZ-JGVFFNPUSA-N 180.251 1.450 10 10 ADCE Cc1ccc([C@H]2CCCN2)c(O)c1O 213696035 HDEKYSZYRZJWQP-SECBINFHSA-N 193.246 1.831 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1C1CCCCC1 221516440 AYBBHVYVBSYBPP-SFYZADRCSA-N 194.238 1.744 10 10 ADCE Cc1cc(N)c(C)c([C@H](C)N)c1O 238804660 GVGMXALWFZQDRY-ZETCQYMHSA-N 180.251 1.611 10 10 ADCE CONCc1ccc(C)c(O)c1O 258033199 JBRPJCLWBUXKIQ-UHFFFAOYSA-N 183.207 1.057 10 10 ADCE COc1ccc(N(C)C)c([C@@H](C)N)c1 258128647 RGGVTOBGDPERCA-MRVPVSSYSA-N 194.278 1.781 10 10 ADCE [N-]=[N+]=N[C@H]1CCC(F)(F)[C@@H]1O 1912170461 XFLPGDAFBZLLJX-IUYQGCFVSA-N 163.127 1.455 10 10 ADCE CN(CCCCN=[N+]=[N-])C1COC1 1912171380 JUTSLERECIXIKB-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE COCC[C@H](N)c1cccc(F)c1O 1951603694 JWCSBPMFDKTYHE-VIFPVBQESA-N 199.225 1.568 10 10 ADCE C[C@@H](O)CNCc1c(O)cccc1F 1955544021 MULFGNOKTXBQPM-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H](C)N1 1957246527 BRVIUHPZPWCHTE-RKDXNWHRSA-N 197.286 1.369 10 10 ADCE CN(CCN=[N+]=[N-])CC1CC1 42416009 XYDJBAYFHRELIU-UHFFFAOYSA-N 154.217 1.639 10 10 ADCE [N-]=[N+]=NCCNC(=O)N1CCCC1 85961790 XHCMDIQYBDKQTF-UHFFFAOYSA-N 183.215 1.102 10 10 ADCE CC[C@H](N)c1c(O)cc(C)cc1O 104575604 QJYPXOIDFNLGNZ-ZETCQYMHSA-N 181.235 1.816 10 10 ADCE N[C@H](Cc1ccc(O)c(O)c1)C1CC1 107181044 AADIDUWDHUPPIG-SECBINFHSA-N 193.246 1.378 10 10 ADCE CCCn1ccnc1/C=C\CCNC 211532671 WIJBNISJDWGZCC-XQRVVYSFSA-N 193.294 1.916 10 10 ADCE C[C@H](N)c1cc(C(=O)O)c(F)cc1O 211751640 OKXSWKSRVOIKJE-BYPYZUCNSA-N 199.181 1.249 10 10 ADCE COC(=O)c1cccc(CC=[N+]=[N-])c1 238402431 YZULDNLMMNLWFX-UHFFFAOYSA-N 190.202 1.316 10 10 ADCE N[C@@]1(c2ccccc2O)CC1(F)F 1536100722 UBSFIGMTKJKCNV-MRVPVSSYSA-N 185.173 1.585 10 10 ADCE [N-]=[N+]=NCc1c[nH]ccc1=N 1880179412 BYBOQMVYRJMKFH-UHFFFAOYSA-N 149.157 1.304 10 10 ADCE COC(=O)C(=CO)c1ccccc1 1911536981 GOCBVHULKMGJSR-UHFFFAOYSA-N 178.187 1.759 10 10 ADCE CC(C)COCCN1CC(N=[N+]=[N-])C1 1912144033 NPEMYUNFXNJCAD-UHFFFAOYSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCc1cnc(O)c([N+](=O)[O-])c1 1951381879 CJEPBXCGRRGDAX-UHFFFAOYSA-N 195.138 1.506 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1[C@H]2CC[C@H]21 1954465454 HGTVJYMDZJSUTO-BRPSZJMVSA-N 180.255 1.885 10 10 ADCE CC[C@@H]1CC(=O)N(CCN=[N+]=[N-])[C@H]1C 1956895133 XHTAKUVQYPLNNZ-JGVFFNPUSA-N 196.254 1.944 10 10 ADCE Cc1ccc(NC(=O)[C@@H](O)N=N)cc1 2080192846 IATKERFGKKEETN-SECBINFHSA-N 193.206 1.283 10 10 ADCE CC[C@H](C(N)=O)c1ccc(O)c(O)c1 78211927 URECFCAJKQTUNI-ZETCQYMHSA-N 195.218 1.077 10 10 ADCE Oc1ccc([C@@H]2NC[C@H]3C[C@H]32)cc1O 82889389 JCDHSUAKISUSIW-XLDPMVHQSA-N 191.230 1.378 10 10 ADCE Cc1ccc([C@H]2CCN2)c(O)c1 95784351 JLKAEJPTIXKNIO-SECBINFHSA-N 163.220 1.735 10 10 ADCE CCONCc1ccccc1O 133084970 SICLSDWVHNGJRL-UHFFFAOYSA-N 167.208 1.433 10 10 ADCE CC(=S)COCNC/C=C\F 141425698 BQYVEELITDYCKH-IHWYPQMZSA-N 177.244 1.423 10 10 ADCE C[C@H](NCc1ccccc1O)[C@@H](C)O 162953238 RERQGWFGUKOEBG-DTWKUNHWSA-N 195.262 1.251 10 10 ADCE C[C@@H]1NCCc2c(F)ccc(O)c21 212920177 KJUYGSVLYXHJFG-LURJTMIESA-N 181.210 1.738 10 10 ADCE Cc1cc(C2(N)CC2)c(O)c(F)c1O 214877789 KVSXLOMHWWMJHM-UHFFFAOYSA-N 197.209 1.493 10 10 ADCE CC(=O)C(=O)[C@H]1CC=C(C)CC1 238241604 BOBOEZNAHSNBRQ-VIFPVBQESA-N 166.220 1.891 10 10 ADCE C[C@@H](CO)c1ccc(F)c(O)c1O 258036248 JNLQEOQNPQXPHX-YFKPBYRVSA-N 186.182 1.333 10 10 ADCE C/C(N=[N+]=[N-])=C1\CCOC1=O 306469968 WMAHOCUGBBHKJN-PLNGDYQASA-N 153.141 1.518 10 10 ADCE CO[C@H]1C[C@@H](N=[N+]=[N-])C[C@](C)(CO)C1 307503061 OPBXOJCMFZOFPE-VGMNWLOBSA-N 199.254 1.863 10 10 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180.215 1.712 10 10 ADCE Nc1ccc(NCc2cnoc2)cc1 718882138 OPRYYMQPUIIXFE-UHFFFAOYSA-N 189.218 1.869 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cccc(O)c1O 1535735820 XEGJJSWTKLDAQM-LURJTMIESA-N 195.178 1.442 10 10 ADCE C[C@@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 1882184569 BQCGFZVHGXIWBB-SFYZADRCSA-N 184.243 1.142 10 10 ADCE CC[C@H](C(C)C)[C@H](O)C(=O)C(C)=O 1883041881 LMGPKXNDHYFUGI-SCZZXKLOSA-N 186.251 1.188 10 10 ADCE CCNCc1c(O)cccc1OCC 1890738483 VQHQHVOWIRSWTA-UHFFFAOYSA-N 195.262 1.900 10 10 ADCE CCC[C@@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 1898392814 KSADLQKKMTVHBX-SFYZADRCSA-N 196.254 1.849 10 10 ADCE C[C@H](O)[C@@H](C)OCc1ccc(N)cc1 1924876819 BAGPAQQCBGXNIH-DTWKUNHWSA-N 195.262 1.555 10 10 ADCE CC[C@](O)(C(=O)C(C)=O)C1CCC1 1929193567 POBMATZFECZNRJ-SNVBAGLBSA-N 184.235 1.086 10 10 ADCE C[C@@H](N)CCc1cc(O)c(O)c(O)c1 1951735510 UXFJRDWWUBOCID-ZCFIWIBFSA-N 197.234 1.083 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](CCF)C1 1954874818 IHWUZUZRSNRPGF-QMMMGPOBSA-N 186.234 1.978 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@H]1CC[C@H]1N 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ADCE CC(C)CNCc1cccc(O)c1O 41049378 BPDQRTYALNMWMQ-UHFFFAOYSA-N 195.262 1.843 10 10 ADCE C[C@H](N=[N+]=[N-])c1cc[nH]n1 164085987 XCQNYUPGHSBIPJ-BYPYZUCNSA-N 137.146 1.781 10 10 ADCE CC(=S)[C@@H]1CCCC1=O 196686366 ODXDCIBHYBTZOP-LURJTMIESA-N 142.223 1.745 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@@H](O)[C@H]1N=[N+]=[N-] 201890737 BAUNUBBIQFRSRT-JKUQZMGJSA-N 182.187 1.889 10 10 ADCE COc1cc(O)c([C@@H](C)N)cc1C 212028355 BWPQVCVERRGPOT-SSDOTTSWSA-N 181.235 1.729 10 10 ADCE Cc1cc(N)c(O)c(O)c1CN(C)C 213950414 WSTZTMWSTOYJDJ-UHFFFAOYSA-N 196.250 1.050 10 10 ADCE C[C@@]1(O)CCC[C@@H](N=[N+]=[N-])C1 238500909 WCXPOGUQXVYUIN-RNFRBKRXSA-N 155.201 1.990 10 10 ADCE CNC(=O)OCc1ccc(N)cc1 256164158 FLBQDMKCXLMEHZ-UHFFFAOYSA-N 180.207 1.125 10 10 ADCE CCNCc1cc(O)c(O)c(OC)c1 379588593 UHXILBXJXWPOBS-UHFFFAOYSA-N 197.234 1.216 10 10 ADCE CC(C)[C@H]1CN[C@H](CN=[N+]=[N-])OC1 885456492 ZXUOGGCGJSXYII-YUMQZZPRSA-N 184.243 1.515 10 10 ADCE CCN(CCN=[N+]=[N-])CC[C@@H](C)O 1887717880 PDWQAGYNRIHDJI-MRVPVSSYSA-N 186.259 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198.316 1.763 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN(C[C@@H]2CCO2)C1 1888423373 XTJUHCCGFOZKBD-IUCAKERBSA-N 196.254 1.550 10 10 ADCE C[C@@H](CN(C)C)N(C)CCN=[N+]=[N-] 1893426692 YCIZKHJXSUEHTL-QMMMGPOBSA-N 185.275 1.179 10 10 ADCE CC[S@@](C)(=O)=NCCN=[N+]=[N-] 1912207782 PLUASQFSGJRKBT-LLVKDONJSA-N 176.245 1.414 10 10 ADCE COc1cc(C(=O)C(C)=O)ccc1C 1951322780 WBHGWDNHFYNXTL-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE Cc1cc(=O)c(CN=[N+]=[N-])c[nH]1 1951384230 UPNGPSFZUDSRQY-UHFFFAOYSA-N 164.168 1.494 10 10 ADCE C[C@@H]1C[C@@]1(N)Cc1ccc(O)c(O)c1 1951525800 VJNQIUQSFLHRIJ-RDDDGLTNSA-N 193.246 1.378 10 10 ADCE [N-]=[N+]=NCCN1CC=CCCC1 1953655963 QGEKLAUWCKJYNU-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE C[C@@H](N)[C@@H]1CCN(CCCN=[N+]=[N-])C1 1957250783 RQFOHLXWFJQEJC-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE C[C@H](CO)Nc1ccc(N)cc1 35600398 GUPCYSRHCPSXJP-SSDOTTSWSA-N 166.224 1.062 10 10 ADCE CCCCNCc1cccc(O)c1O 41049388 MBJKKDALCMDGMF-UHFFFAOYSA-N 195.262 1.988 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])CCO1 42415756 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[N-]=[N+]=NCCN1CCS[C@H]2CC[C@H]21 1912162417 VSPVGCAUMWOMFL-SFYZADRCSA-N 198.295 1.877 10 10 ADCE [N-]=[N+]=NC1CN(CC(F)F)C1 1912178249 LCCOJILKPTXTMP-UHFFFAOYSA-N 162.143 1.246 10 10 ADCE CCCC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912183837 AKVXVLYFKXUILY-ZETCQYMHSA-N 182.227 1.698 10 10 ADCE CC1(F)CN(CCN=[N+]=[N-])C1 1912184177 XCRUWNGOJRTAKE-UHFFFAOYSA-N 158.180 1.341 10 10 ADCE C[C@H](O)[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912185482 QGVWYZIDEYRBLO-CSMHCCOUSA-N 184.243 1.140 10 10 ADCE COc1nccnc1CCN=[N+]=[N-] 1951389411 RWBFWXRFBABVDN-UHFFFAOYSA-N 179.183 1.338 10 10 ADCE Nc1ccc(N[C@H]2C[C@@H]2CO)cc1 1954309285 DHEYVHGTVGPRCN-XCBNKYQSSA-N 178.235 1.062 10 10 ADCE CC(=O)OCCc1ccc(N)cc1 5138046 SKILLEHGFMDIJB-UHFFFAOYSA-N 179.219 1.374 10 10 ADCE O=C1C=Nc2ccccc2C1=O 34628599 KTUXZCJQJNQPPH-UHFFFAOYSA-N 159.144 1.154 10 10 ADCE CC(C)C(=O)NCCCN=[N+]=[N-] 48735734 WHTXYIZZBHKYAB-UHFFFAOYSA-N 170.216 1.459 10 10 ADCE CC(C)N(C)c1ccc(CN)cc1N 82637130 SWHJMEXLYTWUSQ-UHFFFAOYSA-N 193.294 1.572 10 10 ADCE 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CC(=O)C(=O)CSC1CCCC1 307959706 JNJIDYBYPHSCCH-UHFFFAOYSA-N 186.276 1.820 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])C[C@@H](C)O1 689142993 JWZOGEAIYHIYHT-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CNN[C@H](C)c1cc(F)ccc1O 704700922 HIAUBTXAGGXEAU-ZCFIWIBFSA-N 184.214 1.316 10 10 ADCE C[C@@H]1Cc2ccc(O)c(O)c2N1 713786371 YWDUZQQQHBXJIX-RXMQYKEDSA-N 165.192 1.454 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]1CF 1880965485 YGJBTGCVOBUKSF-ZETCQYMHSA-N 172.207 1.731 10 10 ADCE Nc1ccc(N2CC=CCN2)cc1 1883132724 DZIPUFKGWOURBU-UHFFFAOYSA-N 175.235 1.150 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@H]2C[C@@H]2CF)C1 1888736206 SFFBDJKVINAPBO-VDTYLAMSSA-N 198.201 1.113 10 10 ADCE Nc1ccccc1N[C@@H]1CCC[C@@H]1N 1888906039 XPVJMSPBIDCRNO-GXSJLCMTSA-N 191.278 1.561 10 10 ADCE CCNCCN(C)c1ccc(N)cc1 1888914433 BECQAPSJQVOKRZ-UHFFFAOYSA-N 193.294 1.315 10 10 ADCE Nc1ccc(OC[C@H]2CCNC2)cc1 1896284334 GFCFIQSUGAQHBL-VIFPVBQESA-N 192.262 1.257 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@H]2CC[C@H]1C2 1932265822 GWXUMYLXTKITJI-YWVKMMECSA-N 196.246 1.086 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193.246 1.694 10 10 ADCE Nc1cnoc1-c1ccc(O)c(O)c1 1535865459 FBJHAJHKQKYMMN-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE C=C=CCC(=O)N(CC)CCN=[N+]=[N-] 1887717942 QMMLKTCJNYLGGF-UHFFFAOYSA-N 194.238 1.876 10 10 ADCE CC[C@@H](N)CN(C)c1ccc(N)cc1 1888898171 CWWJCAXVRQSJJN-SECBINFHSA-N 193.294 1.442 10 10 ADCE [N-]=[N+]=NCCN(C1CC1)C1CC1 1953559174 KRMWUBGPOVSVFN-UHFFFAOYSA-N 166.228 1.924 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@@H]1[C@H]2CC[C@H]21 1955489974 UTESTXVRSHDMFF-JIGDXULJSA-N 194.238 1.411 10 10 ADCE CCO[C@H](C)c1noc(CN=[N+]=[N-])n1 1956744754 HJVRFEOBVSUXFZ-RXMQYKEDSA-N 197.198 1.977 10 10 ADCE COc1cc(C=CCN)cc(O)c1O 2055860222 OKTVFHKHESGBPE-UHFFFAOYSA-N 195.218 1.078 10 10 ADCE C[N+](C)(C)c1ccc(O)c(O)c1 1844247 FRXGPNFUFZWJET-UHFFFAOYSA-O 168.216 1.295 10 10 ADCE COC(=O)CSCCCN=[N+]=[N-] 42416443 GMFJBLVKASWCOU-UHFFFAOYSA-N 189.240 1.593 10 10 ADCE [N-]=[N+]=NCCCNC(=O)C1CC=CC1 82866306 ISFDQIWDFTXNAY-UHFFFAOYSA-N 194.238 1.769 10 10 ADCE Cc1cc(F)cc([C@@H](N)[C@H](C)O)c1O 95683147 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193.246 1.898 10 10 ADCE COc1ccc([C@@H](C)N)c(O)c1OC 95781402 FCARLFYVENFHIW-ZCFIWIBFSA-N 197.234 1.429 10 10 ADCE Cc1nc(/N=N/O)c[nH]1 104620085 YMLVSUVZXZBMLG-UHFFFAOYSA-N 126.119 1.191 10 10 ADCE [N-]=[N+]=NC1CC(C(=O)O)C1 142011774 RWMANBRJAFEYSV-UHFFFAOYSA-N 141.130 1.160 10 10 ADCE C[C@@H]1CC(=S)C[C@@H](C)N1 211337176 NGVONNSGWJBWPU-PHDIDXHHSA-N 143.255 1.517 10 10 ADCE CNC(=O)CC(=S)c1ccccc1 238323235 USEPIZPDQPDADZ-UHFFFAOYSA-N 193.271 1.541 10 10 ADCE COc1cc(O)c2c(c1)CCC[C@H]2N 238372700 BBONTLFPDVKCAJ-SECBINFHSA-N 193.246 1.737 10 10 ADCE O=C1OC[C@@H]2CCCC[C@@H]2/C1=C/O 238607654 CWLAIBWYXYYFSD-YBXZGVKSSA-N 182.219 1.792 10 10 ADCE Cc1ccc(CC2(O)CC2)c(O)c1O 258140911 SMBIIDOWDRPHBJ-UHFFFAOYSA-N 194.230 1.474 10 10 ADCE CC[C@H](N)[C@H](N)c1cc(F)ccc1O 306823964 VCJRBFQXRIEYRP-WCBMZHEXSA-N 198.241 1.268 10 10 ADCE C[C@H]1C[C@@H]1C(=O)C(=O)[C@H]1C[C@H]1C 307720794 PKVQSCUXHLTLPA-YWIQKCBGSA-N 166.220 1.437 10 10 ADCE CC(=O)N1CC[C@H](CN=[N+]=[N-])C1 885300264 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COC[C@H]1C[C@H]1Nc1ccccc1N 1957226309 ZHHFVQINKFLJGD-LDYMZIIASA-N 192.262 1.716 10 10 ADCE [N-]=[N+]=NCCCN1CC(C2(N)CC2)C1 1957247598 STAQANZYPWKFMU-UHFFFAOYSA-N 195.270 1.110 10 10 ADCE CC1(C)CNCCN(CCN=[N+]=[N-])C1 1957250498 QBVVDHLFUIDQLZ-UHFFFAOYSA-N 197.286 1.228 10 10 ADCE O=[N+]([O-])c1ccc(O)c(O)c1F 2054939653 JENBMJZLVRFLGS-UHFFFAOYSA-N 173.099 1.145 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@]2(CCO2)CC[C@@H]1O 2209237312 FIXNAJGTSIQWOY-CSMHCCOUSA-N 183.211 1.369 10 10 ADCE CC1(C)O[C@@H]2C[C@H](CN=[N+]=[N-])O[C@@H]2O1 36372872 JRZGNHWZINXDPH-FSDSQADBSA-N 199.210 1.563 10 10 ADCE CC(C)N1CCO[C@H](CN=[N+]=[N-])C1 70834821 QWYUQWIQTZBMLF-MRVPVSSYSA-N 184.243 1.406 10 10 ADCE CN1C(=O)/C(=C/O)c2ccccc21 100260076 AEABZVDSHJESPI-SOFGYWHQSA-N 175.187 1.562 10 10 ADCE Oc1cccc2c1[C@H](CF)NCC2 219591701 VJJDQNVBRNJQBS-QMMMGPOBSA-N 181.210 1.549 10 10 ADCE CC[C@H](N)c1ccc(OC)c(O)c1O 238317199 SUWILECOLMPUAF-ZETCQYMHSA-N 197.234 1.516 10 10 ADCE CCN[C@@H]1CCOc2cccc(O)c21 257851168 OXMQYCXTWZTIRN-MRVPVSSYSA-N 193.246 1.825 10 10 ADCE C[C@@H]1CCC(=O)N1CCN=[N+]=[N-] 307140658 BALNAMKQAINODZ-ZCFIWIBFSA-N 168.200 1.308 10 10 ADCE CC(C)O[C@H]1CCN(CCN=[N+]=[N-])C1 701664002 VLQYWQFTRFJVAH-VIFPVBQESA-N 198.270 1.796 10 10 ADCE CC[C@H](N=[N+]=[N-])c1cnn[nH]1 721826157 FUFPUUUHUZIDMX-BYPYZUCNSA-N 152.161 1.566 10 10 ADCE CO[C@@H]1CC[C@H]1N(C)CCCN=[N+]=[N-] 724140556 PEZUJJTXDOEFCQ-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCC1=COCCC1 1535763780 ONCAIXAKJCOART-UHFFFAOYSA-N 139.158 1.991 10 10 ADCE C[C@H](CN(C)CCN=[N+]=[N-])N(C)C 1881992719 NTIMLKJIUDTVEM-MRVPVSSYSA-N 185.275 1.179 10 10 ADCE CC(C)(O)CSCCN=[N+]=[N-] 1887131867 RVSDKWADDNZCHK-UHFFFAOYSA-N 175.257 1.801 10 10 ADCE CC(C)[C@H](CN)Nc1ccccc1N 1888904831 GHDYTJBCFRRADA-NSHDSACASA-N 193.294 1.664 10 10 ADCE CCN[C@@H](C)CNc1ccc(N)cc1 1888912589 JOLUUOYOCWDZBF-VIFPVBQESA-N 193.294 1.679 10 10 ADCE CNCC[C@@H](C)Oc1ccc(N)cc1 1896285683 XGSXDJHBAJZEEA-SECBINFHSA-N 194.278 1.646 10 10 ADCE CCC[C@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 1898392813 KSADLQKKMTVHBX-JGVFFNPUSA-N 196.254 1.849 10 10 ADCE CCON(CCN=[N+]=[N-])C(C)C 1912147151 GWMMIFQSEXDQLM-UHFFFAOYSA-N 172.232 1.959 10 10 ADCE C[C@@H](N=[N+]=[N-])c1ncnn1C 1912161008 DIOJOQAJUYGOFA-SCSAIBSYSA-N 152.161 1.186 10 10 ADCE COCCN1CCC[C@H](N=[N+]=[N-])C1 1912208563 VBYSNLNULMHXGU-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE C[C@@]1(CO)C[C@H]1c1cccc(O)c1O 1951969380 QIDNXILKQYDLHL-KWQFWETISA-N 194.230 1.584 10 10 ADCE [N-]=[N+]=NCCN1CCC=CCC1 1953643401 DQQKNYPIKWPYON-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@@H]1CN 1954206733 LHTFLIKIVBKRSN-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1C[C@H]2CO 1957203559 OWTQDBRKZLEWFS-YIZRAAEISA-N 196.254 1.142 10 10 ADCE CO[C@@H]1CC[C@@H]1CN(C)CCN=[N+]=[N-] 2209785222 CKNYLKWMEQTPEV-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](O)[C@H]2CC[C@H]21 2297230543 KCSXDWZWFGYKJT-DJLDLDEBSA-N 196.254 1.142 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@@H]1OCC(=O)O 34611338 GXSZDACGCYZNDB-RQJHMYQMSA-N 199.210 1.709 10 10 ADCE [N-]=[N+]=NCc1nonc1CN=[N+]=[N-] 34753733 ZJAURSQGKRVIIF-UHFFFAOYSA-N 180.131 1.690 10 10 ADCE [N-]=[N+]=NC[C@@](O)(CO)c1ccccc1 39168901 NTVFCAZOLORLRD-SECBINFHSA-N 193.206 1.177 10 10 ADCE CCOC(=N)c1cccc(O)c1O 59499111 LLPPJWIMLXBXLT-UHFFFAOYSA-N 181.191 1.460 10 10 ADCE COc1ccc(N(C)CCN)cc1C 82588833 VBTZTWVFFPCIQA-UHFFFAOYSA-N 194.278 1.399 10 10 ADCE CC(C)C[C@H](N=[N+]=[N-])[C@@H](O)CO 238194853 FVMDGEWRMDVXFK-BQBZGAKWSA-N 173.216 1.065 10 10 ADCE CC[C@H](N)c1cc(C)cc(O)c1O 238311375 SGUVCBUCZUMCPD-QMMMGPOBSA-N 181.235 1.816 10 10 ADCE CONC(=O)[C@H]1CC=C[C@@H](N=[N+]=[N-])C1 238354503 VIENWOYZUKNAOB-NKWVEPMBSA-N 196.210 1.309 10 10 ADCE COC[C@H]1CN[C@@H]1c1ccccc1O 257827106 HUMCDXQFDQCQFM-KCJUWKMLSA-N 193.246 1.299 10 10 ADCE CONCc1cc(F)cc(C)c1O 257962587 BXZIKMBBYSUDGS-UHFFFAOYSA-N 185.198 1.491 10 10 ADCE Nc1ccc(CNC2CCC2)c(O)c1 258232583 YSLLDTLPEXGKJQ-UHFFFAOYSA-N 192.262 1.617 10 10 ADCE CCCC/N=[N+](/C)[O-] 306910621 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[N-]=[N+]=N[C@H]1C=CC2(CC1)OCCO2 36437014 GTIOUNPQKZYFCI-ZETCQYMHSA-N 181.195 1.758 10 10 ADCE COc1ccc(N(C)C[C@@H]2CO2)cc1 49969711 YRLJCTGHGLKFJK-LLVKDONJSA-N 193.246 1.530 10 10 ADCE Oc1ccccc1[C@@H]1NCCC[C@H]1O 82388186 SXVHPLIHWFANAK-MNOVXSKESA-N 193.246 1.178 10 10 ADCE C[C@]1(c2ccccc2O)COCCN1 83341928 KWZWSQPMVXZCEA-LLVKDONJSA-N 193.246 1.227 10 10 ADCE COC(=O)/C=C\c1cccc(O)c1O 144048454 CZQFUKCIRDAQGE-WAYWQWQTSA-N 194.186 1.284 10 10 ADCE CC(C)(N)c1cc(N)c(F)cc1O 238150872 PFQKUHXQMLZFEX-UHFFFAOYSA-N 184.214 1.307 10 10 ADCE CCc1ccc2c(c1O)[C@H](N)CCO2 238289764 DVAUIDRERAVUSK-MRVPVSSYSA-N 193.246 1.737 10 10 ADCE [N-]=[N+]=N/C=C1\C(=O)O[C@H]2CCC[C@H]12 238595766 VKKGMXMKXGONJM-PILOXKEJSA-N 179.179 1.906 10 10 ADCE CN1C[C@@H](N)C[C@H]1c1ccccc1O 250608418 LYBKFKLVTLDLTM-WPRPVWTQSA-N 192.262 1.096 10 10 ADCE C[C@H]1CN[C@H](c2ccccc2O)OC1 258487444 LMRGNJROSCTDMR-KWQFWETISA-N 193.246 1.647 10 10 ADCE CC(=S)/C=C(/N)c1ccco1 306200572 MLVZGYHVEVUEFR-FNORWQNLSA-N 167.233 1.969 10 10 ADCE COC1=C[C@@H](N=[N+]=[N-])[C@H](OC)O[C@H]1C 306951943 DNVKGJQDXLQIBY-SHYZEUOFSA-N 199.210 1.587 10 10 ADCE CC(=O)[C@@H](N=[N+]=[N-])[C@@H](O)c1ccco1 687756980 WWOIDHPSFRTQNE-SFYZADRCSA-N 195.178 1.581 10 10 ADCE CCN1CC[C@@H](CN=[N+]=[N-])C1 885248265 YDGMZJBUEHBXLU-ZETCQYMHSA-N 154.217 1.639 10 10 ADCE CC(C)n1nccc1[C@H](CO)N=[N+]=[N-] 1535809574 ICMZHRZRWVGFFH-ZETCQYMHSA-N 195.226 1.808 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H]2COC[C@H]21 1877565602 ZZIPUFQWXJBSTP-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE Nc1ccc(N2[C@@H]3COC[C@H]2C3)cc1 1895776672 OGISFSLJZCOCLD-PHIMTYICSA-N 190.246 1.246 10 10 ADCE CCCn1cnnc1CN=[N+]=[N-] 1912206053 DNEWJYOBQSKWJV-UHFFFAOYSA-N 166.188 1.498 10 10 ADCE Cc1ccc([C@H]2C[C@H](O)CN2)c(O)c1 1952064142 ISBKQRVRJLOWRZ-WCBMZHEXSA-N 193.246 1.096 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@H]1CN 1957250063 NMRLTQAZJHBUEN-VIFPVBQESA-N 197.286 1.500 10 10 ADCE CN(CCN=[N+]=[N-])C1CC1 42415881 IRSYSSIQLCGLAE-UHFFFAOYSA-N 140.190 1.391 10 10 ADCE COc1ccc(C)cc1C(=O)C(C)=O 57488507 WHODCMCPYPWCMC-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE CC(C)(O)CNc1ccc(N)cc1 83461440 HEEWMARZQAFRMF-UHFFFAOYSA-N 180.251 1.452 10 10 ADCE CC(=O)C(=O)Cc1cccc(C)c1 84444338 VOSPWKXBTLAXDQ-UHFFFAOYSA-N 176.215 1.696 10 10 ADCE CCC[C@@H]1C/C(=C\O)C(=O)O1 100207299 OWZUSWZMWFAKOR-WEWAHIQMSA-N 156.181 1.544 10 10 ADCE C[S@](=O)CCNc1ccc(N)cc1 157812040 JVXWOZVCCQFQPT-CYBMUJFWSA-N 198.291 1.059 10 10 ADCE CCC[C@@H](O)Nc1cccc(O)c1O 164495076 FVEQEYNSRHTKAV-SECBINFHSA-N 197.234 1.628 10 10 ADCE NCc1ccc2cc[nH]c2c1O 215597102 BZUSZNVNIAJKKL-UHFFFAOYSA-N 162.192 1.332 10 10 ADCE CCOC(=O)c1scc(C)c1O 215652814 XJKMTMOVSDLEFI-UHFFFAOYSA-N 186.232 1.939 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H](CCO)C1 227431143 IQWZKNRQHUYWFJ-SECBINFHSA-N 198.270 1.391 10 10 ADCE CC(=O)O[C@H]1C=C[C@H](N=[N+]=[N-])CC1 238064495 NYEKKGWNQMUDIP-YUMQZZPRSA-N 181.195 1.947 10 10 ADCE CCOC(=O)C(=O)CC1(N=[N+]=[N-])CC1 238289510 MTDMKWVKLQCBQJ-UHFFFAOYSA-N 197.194 1.352 10 10 ADCE COc1cc(O)nc(O)c1C(F)F 238400018 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QBHDKNHTWRFDGO-UHFFFAOYSA-N 178.279 1.811 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1CC(O)C2 82598229 SLAGVMCFHUWBOQ-JVHMLUBASA-N 196.254 1.284 10 10 ADCE N[C@H]1CCCN[C@H]1c1ccccc1O 84353057 OTWQTAVXOCNPRC-ONGXEEELSA-N 192.262 1.144 10 10 ADCE CN[C@@H](CC(=O)O)c1ccccc1O 84356780 MHSAXUYTRULCSS-QMMMGPOBSA-N 195.218 1.127 10 10 ADCE CC(C)NC(=O)c1ccsc1N 104946988 WLCOLFVUMTWKEA-UHFFFAOYSA-N 184.264 1.469 10 10 ADCE CCc1ccc(OC)c(O)c1CN 212928796 RJUGVCLPCBLEPI-UHFFFAOYSA-N 181.235 1.422 10 10 ADCE COC1=CCN[C@@H]1c1ccccc1O 219247003 SNHGUIDCUKIBAA-LLVKDONJSA-N 191.230 1.567 10 10 ADCE CC(C)CNC[C@H](O)[C@@H](C)N=[N+]=[N-] 238134495 NFAWCFZDFPIVOM-SFYZADRCSA-N 186.259 1.292 10 10 ADCE N[C@@H]1COc2c(F)c(F)cc(O)c21 238647422 DIGWCMYLIVYYNE-SCSAIBSYSA-N 187.145 1.063 10 10 ADCE [N-]=[N+]=NCCCCC[C@H](N)C(=O)O 238671979 XLOMVFZQAXTGIA-LURJTMIESA-N 186.215 1.269 10 10 ADCE CNCCc1cc(O)c(O)cc1C 257827754 HWBOFSNPXGCNFP-UHFFFAOYSA-N 181.235 1.168 10 10 ADCE C[C@H](N)/C=C\c1ccc(O)c(O)c1 308105790 PJPADANVRHANQF-XDVGHUOJSA-N 179.219 1.458 10 10 ADCE COC[C@@H](C)CN(C)CCN=[N+]=[N-] 379361220 DRWFNMWLQXFHAB-QMMMGPOBSA-N 186.259 1.511 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCN([C@H]2CCOC2)C1 885814343 CMXCFHKBUFHWSP-IUCAKERBSA-N 196.254 1.408 10 10 ADCE Cn1ccc2ccc([C@H]3C[C@@H]3N)cc21 1535841817 RIZHBIUXRVYESN-MNOVXSKESA-N 186.258 1.993 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2CCC[C@@H]2N1 1878771395 BJRMVRYRFXGCPE-FXQIFTODSA-N 166.228 1.827 10 10 ADCE [N-]=[N+]=NCCC[S@](=O)C1CCC1 1880713184 ARUJBPMXCRCWDY-LBPRGKRZSA-N 187.268 1.988 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2COC[C@H]21 1883764768 PENYVLMABNZXAE-JGVFFNPUSA-N 182.227 1.017 10 10 ADCE C[C@H]1CCO[C@H]1CN(C)CCN=[N+]=[N-] 1912162283 UJBWBCYHBPAQED-IUCAKERBSA-N 198.270 1.654 10 10 ADCE CC(C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912182966 JHMKDDUBGZIVGY-ZETCQYMHSA-N 182.227 1.554 10 10 ADCE [N-]=[N+]=NC1CCN([C@H]2CC[C@@H]2O)CC1 1912184204 XINHHNRHTQPRBZ-IUCAKERBSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1CCC1 1953164537 JAPGZVDFEVRPOM-LURJTMIESA-N 141.174 1.458 10 10 ADCE [N-]=[N+]=N[C@H]1CCCCC[C@@H]1N 1953297321 UMDFNSPAASQXBV-BQBZGAKWSA-N 154.217 1.957 10 10 ADCE CSCC1CN(CCN=[N+]=[N-])C1 1953518039 BQNLMRLMRXDVEW-UHFFFAOYSA-N 186.284 1.592 10 10 ADCE [N-]=[N+]=NCCN(C1CC1)C1COC1 1954578594 RLVZUSLBMNSLGD-UHFFFAOYSA-N 182.227 1.160 10 10 ADCE Cc1ccc(NC(=O)[C@H](O)N=N)cc1 2080192847 IATKERFGKKEETN-VIFPVBQESA-N 193.206 1.283 10 10 ADCE CC(=O)Nc1cccc(O)c1O 13836634 KSBUQEFHSPPNDB-UHFFFAOYSA-N 167.164 1.056 10 10 ADCE N[C@H]1CCc2cc(O)c(O)c(F)c2C1 29346319 DTGQQBGSYWRGOX-LURJTMIESA-N 197.209 1.053 10 10 ADCE Oc1cccc(-c2ncc[nH]2)c1O 78216913 KKAYDHVCBPIJAW-UHFFFAOYSA-N 176.175 1.488 10 10 ADCE COc1sc(C(=O)O)c(O)c1C 84228161 VIUXFPPWGQXLGF-UHFFFAOYSA-N 188.204 1.469 10 10 ADCE C[C@H](C(=O)O)[C@@H](C)N=[N+]=[N-] 86308999 XAJCOOLVJPADJQ-IUYQGCFVSA-N 143.146 1.406 10 10 ADCE NCc1sc2cc(O)ccc2c1O 108305097 FHHLYNAZNYZZQA-UHFFFAOYSA-N 195.243 1.771 10 10 ADCE CC(=O)c1cc(C)c(O)c(O)c1O 114357080 MFXSKNWADYCDSM-UHFFFAOYSA-N 182.175 1.314 10 10 ADCE O=C(O)/C(=C\O)c1ccccc1 140173320 NVMKRLZSODWEKS-VURMDHGXSA-N 164.160 1.670 10 10 ADCE CC/C=C(\CN=[N+]=[N-])C(=O)O 144650641 ZTDBXHQHVNZJHL-HWKANZROSA-N 155.157 1.718 10 10 ADCE CC(C)(C)C1=N/C(=C/O)C(=O)O1 197558759 XVHUPAVXAZHJSD-SNAWJCMRSA-N 169.180 1.387 10 10 ADCE CN1CC(C)(C)C(=O)C(=O)C(C)(C)C1 207047939 VMUOXFRSUZSGTO-UHFFFAOYSA-N 197.278 1.122 10 10 ADCE C/C(=C\Cc1cccc(O)c1O)CO 212325667 SGWWREVRHBGOBN-VMPITWQZSA-N 194.230 1.579 10 10 ADCE CC(=O)O[C@H]1C=C[C@H](N=[N+]=[N-])O[C@@H]1C 238502550 ZPBAIEHVGAIZDZ-MHSYXAOVSA-N 197.194 1.529 10 10 ADCE Cc1ccc(/N=N/C(N)=O)c(O)c1 238529362 YSGCGNQTSXRHSY-ZHACJKMWSA-N 179.179 1.863 10 10 ADCE CC(C)(O)c1c(F)ccc(O)c1O 257975051 DGFDFKUVKSFYBN-UHFFFAOYSA-N 186.182 1.464 10 10 ADCE N[C@@]1(c2ccccc2O)CC[C@@H](O)C1 259686384 JNDLEVYBMZDSSW-KCJUWKMLSA-N 193.246 1.091 10 10 ADCE CN(C)C(=O)OCc1ccc(N)cc1 393021612 GUIAFJOEGRXGDZ-UHFFFAOYSA-N 194.234 1.467 10 10 ADCE COc1ccc(CN2CCC2)c(O)c1 1203616991 FCQZSLYJXLGATC-UHFFFAOYSA-N 193.246 1.607 10 10 ADCE Nc1ccc(NC[C@H]2C[C@H](N)C2)cc1 1888923762 VNKTUCLSRGOSIC-CZMCAQCFSA-N 191.278 1.418 10 10 ADCE CO[C@@H](CCN)c1cccc(O)c1O 1951520986 ABUIPKNZGCGSTG-VIFPVBQESA-N 197.234 1.134 10 10 ADCE C[C@@]1(CN)C[C@H]1c1cccc(O)c1O 1952244955 OJCNFYAFPPKGFY-KWQFWETISA-N 193.246 1.550 10 10 ADCE CC(C)[C@@H]1CN[C@H](CN=[N+]=[N-])S1 1953461324 YKVLUQVVUHINCH-BQBZGAKWSA-N 186.284 1.984 10 10 ADCE COCCc1noc(CN=[N+]=[N-])n1 1953989856 KPIGCCMFNVFSBX-UHFFFAOYSA-N 183.171 1.069 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@]1(C)CC=CCC1 1954981970 ZHOGVTZYHRSJBZ-GHMZBOCLSA-N 196.246 1.252 10 10 ADCE C1=Cc2cccn2C=NN=C1 21348775 SFBXATBJBGMDGX-UHFFFAOYSA-N 145.165 1.377 10 10 ADCE Oc1ccc2cnccc2c1O 59172535 ZADBZTKBRLANAM-UHFFFAOYSA-N 161.160 1.646 10 10 ADCE Cc1cc(N)c(C)c(N)c1C=S 66325854 DZMQXDYXRPFHOK-UHFFFAOYSA-N 180.276 1.816 10 10 ADCE CN(C)C(=O)N(C)c1ccc(N)cc1 85955919 MENDIUDWOPQHMP-UHFFFAOYSA-N 193.250 1.387 10 10 ADCE CCC[C@H](C)NC(=O)CN=[N+]=[N-] 104702216 ZEQBAIFCJWVZAO-LURJTMIESA-N 170.216 1.602 10 10 ADCE Nc1ccc(NCC(F)F)cc1 134120812 XBGAKKUEWKSLSK-UHFFFAOYSA-N 172.178 1.946 10 10 ADCE CC(=S)[C@H]1C(=O)[C@H]2CC[C@H]1C2 196686433 YXAAXVWKPPGHFQ-BIIVOSGPSA-N 168.261 1.991 10 10 ADCE C[C@H](F)[C@H](N)c1ccccc1O 212380253 YDZJADWIPZQQMO-RCOVLWMOSA-N 169.199 1.750 10 10 ADCE Nc1ccc(C[C@@H]2CCCCN2)cc1 213489352 OOUJTMZYSYCBBR-LBPRGKRZSA-N 190.290 1.953 10 10 ADCE CC(=O)OC[C@@H]1CC=C[C@@H](N=[N+]=[N-])O1 238155104 DPRFZDJYNBAXLV-YUMQZZPRSA-N 197.194 1.531 10 10 ADCE COc1cc(N)c(O)c([C@H](C)N)c1 238374902 XIUFYCFWYMRXJT-YFKPBYRVSA-N 182.223 1.003 10 10 ADCE OCc1ccc(N2CC[C@@H]3C[C@H]32)cc1 706969308 AWOUUFFQYYAUJJ-ZYHUDNBSSA-N 189.258 1.778 10 10 ADCE COc1ccn(CCN=[N+]=[N-])c(=O)c1 1886360343 YLXSQKRLJFIKIR-UHFFFAOYSA-N 194.194 1.167 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C[C@@H]1CCCO1 1933580222 YIDQDSVWTBDLKE-BQBZGAKWSA-N 171.200 1.227 10 10 ADCE N[C@@H](CF)c1cc(F)cc(F)c1O 1952645401 UCFISZXJLRZOSH-ZETCQYMHSA-N 191.152 1.640 10 10 ADCE C[C@@H](N)[C@@H](N=[N+]=[N-])c1ccccn1 1954081179 KFWBRRXXTWMLIN-HTRCEHHLSA-N 177.211 1.780 10 10 ADCE Nc1ccc(N[C@@H]2C[C@H]2CO)cc1 1954309284 DHEYVHGTVGPRCN-OIBJUYFYSA-N 178.235 1.062 10 10 ADCE CC(=O)C(=O)[C@H](O)C1(C)CC(C)(C)C1 1956713761 MUVFXLNAOJQGTN-VIFPVBQESA-N 198.262 1.332 10 10 ADCE COCCNCc1ccc(F)cc1O 1964535226 CPIYGYJTINCORJ-UHFFFAOYSA-N 199.225 1.267 10 10 ADCE [N-]=[N+]=NCCC(=O)Nc1ccn[nH]1 165101843 CATZCURVWYLEQO-UHFFFAOYSA-N 180.171 1.049 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@@H]1OCC(N)=O 238548815 KXYSWKWQIPJJQI-BQBZGAKWSA-N 198.226 1.110 10 10 ADCE N[C@H](CC1CC1)c1c(O)cccc1O 238631076 NEQDUMUXNCVJFP-MRVPVSSYSA-N 193.246 1.898 10 10 ADCE Oc1cc([C@@H]2CCNC2)cc(F)c1O 258016852 HWJZOHHHHIVXME-ZCFIWIBFSA-N 197.209 1.314 10 10 ADCE CC(C)(F)C(=O)NCCCN=[N+]=[N-] 308154758 SQPQTMYCGFUPKP-UHFFFAOYSA-N 188.206 1.551 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@]2(CCCCN2)CO1 536958538 PZXFRKGKNBKIFQ-DTWKUNHWSA-N 196.254 1.598 10 10 ADCE C[C@@H](N=[N+]=[N-])C12CC(CO1)C2 1535640512 ODOWBLXAHWKJIU-GRQBKTHUSA-N 153.185 1.864 10 10 ADCE [N-]=[N+]=NCCN1Cc2ncsc2C1 1883983632 UOSDMUXVQUYZSJ-UHFFFAOYSA-N 195.251 1.769 10 10 ADCE Nc1ccc(CCN[C@H]2C[C@H]2F)cc1 1887538298 UVFKEUFCIQVRPW-MNOVXSKESA-N 194.253 1.511 10 10 ADCE CCCNCc1cc(O)c(O)c(O)c1 1887790004 RMJKLZYQLNEOBM-UHFFFAOYSA-N 197.234 1.303 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN(C[C@H]2CCO2)C1 1888423372 XTJUHCCGFOZKBD-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(Cc2cnc[nH]2)C1 1912197230 QFSZYQWBRAHJQE-ZETCQYMHSA-N 192.226 1.294 10 10 ADCE C[C@H]1CC[C@H](N)CN1CCCN=[N+]=[N-] 1957245342 WYXVVMKQYRGMIL-IUCAKERBSA-N 197.286 1.498 10 10 ADCE Cc1nccn1CCN=[N+]=[N-] 42416081 PECXYRBEPGUJNS-UHFFFAOYSA-N 151.173 1.502 10 10 ADCE COC(=O)c1ccc(O)c([C@@H](C)N)c1 95781333 ZPECDRSFFWELLG-ZCFIWIBFSA-N 195.218 1.199 10 10 ADCE CN1CC[C@H](N)c2c(O)cccc21 107166508 JGJMGRSWCMQDGU-ZETCQYMHSA-N 178.235 1.232 10 10 ADCE CN(O)/N=N/c1cccc(C(=O)O)c1 206100940 MRUHKNJXWKLZCY-MDZDMXLPSA-N 195.178 1.705 10 10 ADCE CN(C)CCCCN=[N+]=[N-] 216556450 WGADDEKJDQGLOF-UHFFFAOYSA-N 142.206 1.639 10 10 ADCE CC(C)[C@@H]1CCNC(=O)[C@@H](N=[N+]=[N-])C1 221249457 MHPPWJVTQHKOFD-SFYZADRCSA-N 196.254 1.848 10 10 ADCE CCc1cccc([C@@](C)(N)CO)c1O 238303857 JDHHEAMXRPDWFH-NSHDSACASA-N 195.262 1.121 10 10 ADCE COc1cc(O)c2c(c1)OCC[C@H]2N 238372721 MAGVJGXOZZQPNJ-SSDOTTSWSA-N 195.218 1.183 10 10 ADCE C[Si]1(C)C[C@@H](O)[C@H](N=[N+]=[N-])C1 238460594 AUVQZUJKQHOBGV-PHDIDXHHSA-N 171.276 1.748 10 10 ADCE Oc1ccc(C(=S)S)cc1O 238714048 YBYCCAUEKRWHBQ-UHFFFAOYSA-N 186.257 1.703 10 10 ADCE OC[C@H]1CCN[C@@H]1c1ccccc1O 257847198 NWKCKYBDZJZXTQ-KCJUWKMLSA-N 193.246 1.035 10 10 ADCE NC[C@@H](c1ccccc1O)N1CCC1 257868082 SLNKZSBQUVYMRB-JTQLQIEISA-N 192.262 1.098 10 10 ADCE [N-]=[N+]=NCc1ccccc1[C@H](O)CO 259527769 RCMROCCSQQVTHC-SECBINFHSA-N 193.206 1.523 10 10 ADCE CC(=O)C(=O)CS[C@H](C)C(C)C 308099067 FNMBOAUOORNNRZ-MRVPVSSYSA-N 188.292 1.922 10 10 ADCE CCNCc1ccc(OCC)cc1O 308625955 WDNPZTMRMFMZHN-UHFFFAOYSA-N 195.262 1.900 10 10 ADCE CC(F)(F)C(=O)NCCN=[N+]=[N-] 328221940 YSWOSKGTMVXVNV-UHFFFAOYSA-N 178.142 1.068 10 10 ADCE CC[C@@H]1CN(CCCN=[N+]=[N-])C[C@H]1O 399893332 ZBWJFRYBZXVTFJ-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE Nc1ccc(CN2CC[C@H](F)C2)cc1 606269257 XRBPCBFETJJGFN-JTQLQIEISA-N 194.253 1.813 10 10 ADCE Cc1cc([C@@H](CO)N=[N+]=[N-])c(C)[nH]1 1535690600 DDUANJGTLKXFPM-MRVPVSSYSA-N 180.211 1.975 10 10 ADCE CC(C)(CO)Cc1cccc(O)c1O 1535733520 AQHOGAIVDOWOPX-UHFFFAOYSA-N 196.246 1.659 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](F)C[C@@H](F)C1 1882475516 AXAVDEDBKMFCHJ-RNFRBKRXSA-N 190.197 1.679 10 10 ADCE Nc1ccc(OC[C@@H]2CCO2)cc1 1888527015 FQBMRBFODQLXRH-JTQLQIEISA-N 179.219 1.437 10 10 ADCE C[C@@H]1CNC[C@H]1Nc1ccc(N)cc1 1888906067 YABIIZMEJFCUJO-LDYMZIIASA-N 191.278 1.289 10 10 ADCE CC1(C)[C@@H](N)CCN1CCN=[N+]=[N-] 1893653930 HCNLEKIUQSSHFO-ZETCQYMHSA-N 183.259 1.108 10 10 ADCE O=C1C[C@H](c2cccc(Cl)c2O)N1 1951668365 WNNBKZJGMQWWCV-SSDOTTSWSA-N 197.621 1.607 10 10 ADCE C[C@@]1(CO)C[C@H]1c1ccc(O)c(O)c1 1951962332 NJNIYOIEWSYFEM-KWQFWETISA-N 194.230 1.584 10 10 ADCE Oc1cccc([C@@H]2C[C@@H](F)CN2)c1O 1952878332 FJQVTNOEZWNEHH-SVRRBLITSA-N 197.209 1.470 10 10 ADCE CO[C@]1(C)CC[C@H](O)[C@H](N=[N+]=[N-])C1 1954543973 PHAPZBGTOKLOCA-GJMOJQLCSA-N 185.227 1.615 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]21 1957165629 UCFNINBORBXPQT-WCTZXXKLSA-N 192.222 1.164 10 10 ADCE Cc1sc(C=O)cc1O 2208913230 GCDRRYODWOLKON-UHFFFAOYSA-N 142.179 1.575 10 10 ADCE CCNCc1ccc(O)cc1O 19516680 YZAIJBJIJMUUQS-UHFFFAOYSA-N 167.208 1.207 10 10 ADCE C[C@H](N)CCSc1nccs1 81889718 MYMMPCFOMQKHNE-LURJTMIESA-N 188.321 1.973 10 10 ADCE Cc1c(N)ccc(O)c1CN(C)C 82872844 AUSDCKPHSWJASU-UHFFFAOYSA-N 180.251 1.344 10 10 ADCE C[C@H]1OCC[C@H]1Nc1ccccc1N 134519272 DSGBAJSEQVWPDY-PSASIEDQSA-N 192.262 1.858 10 10 ADCE COC(=O)c1ccc([C@@H](C)N)c(O)c1 238397949 ROPDFCQSOONXFS-ZCFIWIBFSA-N 195.218 1.199 10 10 ADCE CN1C[C@H](c2ccccc2O)NC1=O 257852701 PJXDXSXWCRLPNA-MRVPVSSYSA-N 192.218 1.088 10 10 ADCE CONCc1cc(C)c(O)c(O)c1 258045265 KEVQPPNVZUURCF-UHFFFAOYSA-N 183.207 1.057 10 10 ADCE CONCc1cc(CF)ccc1O 258090789 NYVSMQHMRLUSIM-UHFFFAOYSA-N 185.198 1.513 10 10 ADCE Nc1ccc(NC[C@@H]2CC[C@H]2O)cc1 1878004573 VGSXLYFAHFKJHJ-GZMMTYOYSA-N 192.262 1.452 10 10 ADCE Cc1cccc(O)c1CN[C@@H]1C[C@H]1F 1887535292 COIOOGPPJOXRRC-NXEZZACHSA-N 195.237 1.901 10 10 ADCE Oc1cc(F)ccc1CN[C@H]1C[C@@H]1F 1904389343 FSCXCQNGRHPDBU-IUCAKERBSA-N 199.200 1.731 10 10 ADCE CC1(C)C[C@@H](O)CN(CCN=[N+]=[N-])C1 1912160506 WXZGPCRKNVSGPM-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CC(C)C[C@@H](O)CN1CC(N=[N+]=[N-])C1 1933621563 JJVZZZZCOADITL-SECBINFHSA-N 198.270 1.388 10 10 ADCE Oc1ccc(O)c([C@@H]2NCC[C@H]2F)c1 1952822828 DLLBUNWLWQMEJC-SCZZXKLOSA-N 197.209 1.470 10 10 ADCE CC[C@@H](C)C(=O)CC(=O)C(C)=O 1953618790 HWCBSDPIORJEIZ-ZCFIWIBFSA-N 170.208 1.150 10 10 ADCE CC(C)(CN)OCCN=[N+]=[N-] 2242464403 FCMSYGWDPLQTAC-UHFFFAOYSA-N 158.205 1.051 10 10 ADCE O=c1ccoc2cc(O)c(O)cc12 13481581 RBROKQGKQQOCNC-UHFFFAOYSA-N 178.143 1.204 10 10 ADCE CCOC(=O)c1sc(C)cc1O 39257440 OXULGOQVCFFPQZ-UHFFFAOYSA-N 186.232 1.939 10 10 ADCE CN(C)[C@@H]1CCCN(CCN=[N+]=[N-])C1 84420437 DSWVSWAHPCEYIM-SECBINFHSA-N 197.286 1.323 10 10 ADCE CC(C)(CN)c1ccc(O)c(O)c1 107169264 KKIQYMFGYQVVSX-UHFFFAOYSA-N 181.235 1.334 10 10 ADCE CC(=S)C(C)(C)CC(=O)O 143730180 QBLPSWWSYSHHPA-UHFFFAOYSA-N 160.238 1.877 10 10 ADCE CC(=O)N[C@H]1CCCC[C@@H]1N=[N+]=[N-] 238144800 DFEBGXXHFIMIEO-YUMQZZPRSA-N 182.227 1.744 10 10 ADCE C[C@@H](N)[C@H](C)c1ccc(O)c(O)c1 238395558 CUAQNPSFYZGWMR-NKWVEPMBSA-N 181.235 1.549 10 10 ADCE CC(=O)C(=O)[C@@H]1CCC=C[C@H]1C 238401097 CNPHXCHBGOBPDG-VXNVDRBHSA-N 166.220 1.747 10 10 ADCE C=Cc1ccc(O)c2c1OCC[C@H]2N 238613622 ZXKJTCLPDBDTHS-MRVPVSSYSA-N 191.230 1.818 10 10 ADCE COCN(C)c1ccc2c(c1)CCO2 259201305 WMJZYGBORYQKEM-UHFFFAOYSA-N 193.246 1.662 10 10 ADCE CCC[C@@]1(CN=[N+]=[N-])CCNC1=O 521400213 GMWLGKDTLUCYRD-QMMMGPOBSA-N 182.227 1.603 10 10 ADCE NCc1ccc(N2CC[C@@H]3C[C@H]32)cc1 707075639 RATKDNXNPMVZDZ-ZYHUDNBSSA-N 188.274 1.744 10 10 ADCE Cc1cn(CCN=[N+]=[N-])c(C)n1 715129205 AOFMIJNJJOXIPM-UHFFFAOYSA-N 165.200 1.810 10 10 ADCE Nc1ccc(NC2CC(N)C2)cc1 1883134353 PAINGFPCGFKEEG-UHFFFAOYSA-N 177.251 1.170 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CC[C@H]1O 1885288785 XUZVDJFGZVLUMB-DJLDLDEBSA-N 196.254 1.284 10 10 ADCE CC1(C)[C@@H](O)CCCN1CCN=[N+]=[N-] 1893144419 PVJOXYGMRBXJRX-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC1(CC(=O)O)CC1 1912197499 UZNNTVIJNQTXOV-UHFFFAOYSA-N 141.130 1.304 10 10 ADCE CC[C@@H](O)[C@H](NC)c1ccccc1O 1929430083 AEHIXEYUNIJBBG-MWLCHTKSSA-N 195.262 1.424 10 10 ADCE CSCC[C@@H](O)CCN=[N+]=[N-] 1951349714 DDNUFOZDQDRPKK-LURJTMIESA-N 175.257 1.801 10 10 ADCE Nc1ccc(NC[C@@H]2C[C@@H]2CO)cc1 1957223239 YDWDLPZYQRZJHQ-DTWKUNHWSA-N 192.262 1.309 10 10 ADCE C[C@H](N)c1ccc2[nH]ccc2c1O 82868974 TZZWIJDCHSLZIV-LURJTMIESA-N 176.219 1.893 10 10 ADCE Nc1sc2c(c1O)CCC2 84228138 JBXJLEUGKIHMHK-UHFFFAOYSA-N 155.222 1.525 10 10 ADCE N#C[C@@]12[C@H]3C=C[C@@H](N=[N+]=[N-])[C@@H]1[C@H]32 140058312 IQSQETZUOGFQGS-YMVPXFTJSA-N 158.164 1.621 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@H]1C(=O)O 142012761 ATLVSQGMSHJMOZ-QWWZWVQMSA-N 141.130 1.017 10 10 ADCE CCSC(=O)[C@H](C)N=[N+]=[N-] 164212393 BPVJQQFKDKAXDA-BYPYZUCNSA-N 159.214 1.965 10 10 ADCE OC[C@H]1CC[C@@H](c2ccccc2O)N1 213490041 WESCMAKBVCTJLD-SCZZXKLOSA-N 193.246 1.178 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)N[C@@H]1c1ccco1 214951356 ZTAQTFTVVXXLDX-PHDIDXHHSA-N 178.151 1.129 10 10 ADCE CC(C)(C)C(=O)OCCN=[N+]=[N-] 238127388 KARBKBUWLLWFHW-UHFFFAOYSA-N 171.200 1.886 10 10 ADCE Cc1cc(O)c([C@@H](C)N)cc1N 238424485 IYWFCJOHNIMCAE-ZCFIWIBFSA-N 166.224 1.303 10 10 ADCE N[C@H]1CCc2ccc(C(=O)O)c(O)c21 238629622 LBIVLKKNEKBQSQ-ZETCQYMHSA-N 193.202 1.036 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H](O)C[C@H](N=[N+]=[N-])C1 306447629 FQLIMCOCGHZVQA-FMCRUOTFSA-N 182.187 1.889 10 10 ADCE OCc1ccc2scc(O)c2c1O 306939442 KLELKHSMRGYHQS-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE COC1CN(CCCN=[N+]=[N-])C1 393321099 ARWZNAVHNHUBMH-UHFFFAOYSA-N 170.216 1.017 10 10 ADCE Nc1ccc(C[C@H](O)CC2CC2)cc1 696526829 MCYYKLQLQYYRLA-GFCCVEGCSA-N 191.274 1.972 10 10 ADCE C[C@@H]1COC[C@H]1Nc1ccccc1N 699495505 ABDWOLQPSKTKKZ-LDYMZIIASA-N 192.262 1.716 10 10 ADCE CCN1CC[C@@H](N(C)CCN=[N+]=[N-])C1 708404046 MWBFXEYHNMQZLU-SECBINFHSA-N 197.286 1.323 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C(=O)N1C 885429585 QZTMIMAQPABCPQ-LURJTMIESA-N 183.215 1.053 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC[C@@H](C(=O)O)O1 1877243730 NKKFGTNRTVKODZ-RITPCOANSA-N 185.183 1.319 10 10 ADCE Nc1ccc(NCC2(O)CC2)cc1 1882739787 XYSIRNIVBUACDD-UHFFFAOYSA-N 178.235 1.206 10 10 ADCE CO[C@@H]1C[C@@H]1Nc1ccc(N)cc1 1882825224 XSDUSABAHPDNKM-VHSXEESVSA-N 178.235 1.468 10 10 ADCE CC(=N)NCc1cccc(C)c1O 1884126370 JSSMCDGZMOUKOV-UHFFFAOYSA-N 178.235 1.787 10 10 ADCE Nc1ccc(N[C@H]2CC[C@@H](O)C2)cc1 1885026573 RBOOCBAUZNPGIU-WDEREUQCSA-N 192.262 1.594 10 10 ADCE CC(=CO)C(=O)OC(C)C 1911537287 UVPMBIKKQYWCAN-UHFFFAOYSA-N 144.170 1.400 10 10 ADCE Cc1conc1CN1CC(N=[N+]=[N-])C1 1912200292 FPXKPRDMOOQSOF-UHFFFAOYSA-N 193.210 1.478 10 10 ADCE Nc1ccc(CO[C@H]2CC[C@@H]2O)cc1 1924897165 RWRJEJAFUCUAJT-QWRGUYRKSA-N 193.246 1.309 10 10 ADCE Oc1c(F)cccc1[C@@H]1NCC[C@H]1F 1952828960 GPLSBAGWBUJTQN-APPZFPTMSA-N 199.200 1.904 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@H]1[C@H]1C[C@@H]21 1955369112 APEYEGCKSAEIPC-KVPKETBZSA-N 192.222 1.164 10 10 ADCE C[S@](=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209004269 FKDYGXFPHTXIFW-WPOIXZHQSA-N 188.256 1.101 10 10 ADCE Nc1ccc(OC[C@@H]2CC[C@@H]2N)cc1 2209477997 QIQJGTZOPGBTNO-KWQFWETISA-N 192.262 1.385 10 10 ADCE CC[C@@H](COC)N1CC[C@H](N=[N+]=[N-])C1 2210054700 MJUUUUVIJQRXPR-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC(C)N(C)Cc1cc(N)ccc1O 37272260 MGZDCCLYTBMELC-UHFFFAOYSA-N 194.278 1.815 10 10 ADCE CC(C)(C)[S@](=O)CCN=[N+]=[N-] 42416634 CMKIQHKTRISHFW-NSHDSACASA-N 175.257 1.844 10 10 ADCE Cn1c(CN)ccc1-c1ccco1 76601400 BNEVADIVOKVPMG-UHFFFAOYSA-N 176.219 1.744 10 10 ADCE NCc1ccc2c(c1O)CCC[C@@H]2O 82636982 NZLAZEJSINRAJK-JTQLQIEISA-N 193.246 1.221 10 10 ADCE Cc1c(F)ccc([C@H](C)N)c1O 95770064 LYVWAWWXHNJTGW-LURJTMIESA-N 169.199 1.859 10 10 ADCE COC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1N=[N+]=[N-] 238371332 INUVUHHFCYWXKY-JWXFUTCRSA-N 197.194 1.016 10 10 ADCE O=C1O[C@@H]2CCC[C@H]2C/C1=C/O 306414954 PBKBTTQHVSACPU-YRQJFVFOSA-N 168.192 1.544 10 10 ADCE CC[S@@](=O)Nc1ccc(N)cc1 306739734 BCSMOJLRJGFQLN-GFCCVEGCSA-N 184.264 1.364 10 10 ADCE CC1(C)O[C@H]2C[C@H](CN=[N+]=[N-])O[C@H]2O1 306971100 JRZGNHWZINXDPH-VQVTYTSYSA-N 199.210 1.563 10 10 ADCE CCN(CCN=[N+]=[N-])CC(F)F 387450294 LKPHVDNYERZTFN-UHFFFAOYSA-N 178.186 1.884 10 10 ADCE NCC[C@@H]1CNc2ccccc2N1 616689375 DSCBONZIXOZDOV-MRVPVSSYSA-N 177.251 1.241 10 10 ADCE CC[C@H]1CN[C@H](CN=[N+]=[N-])O1 885255087 ASDZIAISPHWNMF-WDSKDSINSA-N 156.189 1.021 10 10 ADCE C[C@@H]1C[C@@H](C)O[C@H](CN=[N+]=[N-])N1 885319395 VNYXQJOKJMMRFE-FSDSQADBSA-N 170.216 1.410 10 10 ADCE CO[C@@H](C)C(=O)[C-]1C(C)=C=S=C1C 885912168 LAPOPQYREIESGR-ZETCQYMHSA-N 197.279 1.451 10 10 ADCE COC(=O)c1cc(CN=[N+]=[N-])n(C)n1 1535775025 YKQJMEFBDYYSHA-UHFFFAOYSA-N 195.182 1.017 10 10 ADCE COc1ccc(C[N+](=O)[O-])c(O)c1 1535852735 ICUFLJQKGJOOPH-UHFFFAOYSA-N 183.163 1.178 10 10 ADCE C[C@@H](O)CCN1CCC[C@H]1CN=[N+]=[N-] 1885284356 AEWCJSCUAAJUHZ-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE CCN(CCN=[N+]=[N-])CC1(O)CCC1 1885617020 SDWUHVWKJWEDJL-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE C[C@@H](N)C[C@H](N)c1ccccc1O 1886574304 VVXHCRVPBCBETB-APPZFPTMSA-N 180.251 1.129 10 10 ADCE C[C@H](CCN=[N+]=[N-])S(C)(=O)=O 1951353315 OSJFHQXHDQBGBH-RXMQYKEDSA-N 177.229 1.120 10 10 ADCE CN[C@@H](CF)c1c(O)cccc1F 1952586417 LGPFWJBSWDASCL-ZETCQYMHSA-N 187.189 1.761 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1cc(C)cs1 1954370218 FNUMRPPKXZTMOA-VIFPVBQESA-N 198.243 1.248 10 10 ADCE CN[C@@H](c1ccccc1O)C1(N)CC1 1956178062 QMWWLCCRRLBQNW-JTQLQIEISA-N 192.262 1.144 10 10 ADCE Cc1nc(/C=C/CCN)n(C)c1C 2209355134 FFVGZOIJUJGPPP-GQCTYLIASA-N 179.267 1.399 10 10 ADCE CC(=O)Oc1ccc(O)c(O)c1 13510783 RHVCAYPGAKFGLL-UHFFFAOYSA-N 168.148 1.023 10 10 ADCE CN(C)/N=N/c1ccccc1CO 18187978 RILLOHUSVYPCOM-ZHACJKMWSA-N 179.223 1.739 10 10 ADCE CN(O)Cc1ccc(N(C)C)cc1 34449487 ZDOSLPGKDHQWRP-UHFFFAOYSA-N 180.251 1.574 10 10 ADCE CCC(=O)C(=O)c1cccc(F)c1 60030348 NRXBMLZKSFGWPF-UHFFFAOYSA-N 180.178 1.988 10 10 ADCE N[C@@H](c1ccccc1O)C1CC1 84329990 MLWLNBUZFKBQLR-SNVBAGLBSA-N 163.220 1.802 10 10 ADCE CC(=O)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101781910 XVGGBJCVNIXEOH-CIUDSAMLSA-N 164.204 1.357 10 10 ADCE Oc1c(F)ccc([C@H]2CCCN2)c1O 212167507 GFDGNZDNAJYYEY-MRVPVSSYSA-N 197.209 1.661 10 10 ADCE [N-]=[N+]=Cc1nc2ccccc2s1 213257329 SZPXBXGAAQIJKU-UHFFFAOYSA-N 175.216 1.945 10 10 ADCE CCOC(=O)[C@](CC)(N=[N+]=[N-])C(C)=O 238282481 PAICBYWKGMAIBV-MRVPVSSYSA-N 199.210 1.598 10 10 ADCE COC[C@@H]1OC=C[C@@H](OC)[C@@H]1N=[N+]=[N-] 238333681 WMQFCYQYPZOTNA-CSMHCCOUSA-N 199.210 1.239 10 10 ADCE Cc1ccc([C@@](C)(N)CO)c(O)c1F 238483843 STNIHZSWHSJFNS-JTQLQIEISA-N 199.225 1.006 10 10 ADCE Oc1cnn(Cc2ccccc2O)c1 257909310 IUGHZBGBPWOYGH-UHFFFAOYSA-N 190.202 1.343 10 10 ADCE Nc1cccc2sc(O)c(O)c12 306598429 PPULOWMYQXHWOZ-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE COC(=O)/C=C(/C)CN=[N+]=[N-] 307649272 GAJXUFIZPUNIQW-HYXAFXHYSA-N 155.157 1.416 10 10 ADCE Cc1ccc(N=NC(N)=S=O)cc1 379339442 UPEVPROZVXGKDP-UHFFFAOYSA-N 195.247 1.338 10 10 ADCE Cc1cccc([C@@H](N)CCCN)c1O 575438464 KZXAQBHGHRSXTH-JTQLQIEISA-N 194.278 1.439 10 10 ADCE C[C@H]1COC[C@@H](C)N1CCN=[N+]=[N-] 708375136 GJDSITPWAALECA-OCAPTIKFSA-N 184.243 1.406 10 10 ADCE [N-]=[N+]=NCCCSCCCN 1880403759 YBWJARFHJUGDLR-UHFFFAOYSA-N 174.273 1.769 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC[C@H]1C 1929121666 IRRWRYMKJLHGNI-XCBNKYQSSA-N 184.235 1.086 10 10 ADCE NC1(c2ccc([N+](=O)[O-])cc2O)CC1 1951401540 FGIVJQOJKFKRCF-UHFFFAOYSA-N 194.190 1.248 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1CC[C@H]1N 1954207630 YVYISRPWRJCNBQ-SFYZADRCSA-N 183.259 1.108 10 10 ADCE CC[C@@H]1CN(CCN=[N+]=[N-])CC[C@H]1N 1957242904 BYGMNHFFEXXCGS-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE CC[C@H](N)CN(CC)CCCN=[N+]=[N-] 1957249005 HJTQIXWFAHWOOE-VIFPVBQESA-N 199.302 1.746 10 10 ADCE C[C@H]1CC[C@@H](N=[N+]=[N-])CN1 2241270627 RJZKUPCYXXINKS-NTSWFWBYSA-N 140.190 1.437 10 10 ADCE CN(C)/N=N/c1ccc(CO)cc1 35874422 ZLVSQUFFQBYFOW-ZHACJKMWSA-N 179.223 1.739 10 10 ADCE COc1cc([N+](=O)[O-])cc(O)c1O 39291310 MTYDUOTUHXSLLL-UHFFFAOYSA-N 185.135 1.015 10 10 ADCE C[C@@H]1C[C@H]1NCc1ccc(O)c(O)c1 52269983 YEXNWPOZMSETPF-VXNVDRBHSA-N 193.246 1.596 10 10 ADCE Cc1cc(O)c(O)c(C)c1CC(=O)O 75598827 BVJOPJYAUDJUSO-UHFFFAOYSA-N 196.202 1.342 10 10 ADCE NC1(c2ccc(O)cc2O)CCCC1 82892665 ZBBPYLNGJSVQPW-UHFFFAOYSA-N 193.246 1.826 10 10 ADCE Cc1cccc(CNC2CC2)c1O 83340313 XZQCZXMPZKTNNU-UHFFFAOYSA-N 177.247 1.953 10 10 ADCE Cc1ccc(F)c(O)c1[C@@H](C)N 95716748 VCGMPFVNZQTPLJ-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1CC(O)C2 111214198 SLAGVMCFHUWBOQ-YUMQZZPRSA-N 196.254 1.284 10 10 ADCE C[C@H]1CC(=S)C[C@H](C)N1 211337100 NGVONNSGWJBWPU-WDSKDSINSA-N 143.255 1.517 10 10 ADCE [N-]=[N+]=NCCCCC[C@@H](N)C(=O)O 238659744 XLOMVFZQAXTGIA-ZCFIWIBFSA-N 186.215 1.269 10 10 ADCE Oc1ccccc1[C@H]1CSCCN1 257901516 YVILZHMVYGWOMF-SECBINFHSA-N 195.287 1.770 10 10 ADCE Cc1nc(-c2ccc(O)c(O)c2)c[nH]1 259689792 JRNXQGASXWXNGO-UHFFFAOYSA-N 190.202 1.796 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2COCC[C@H]21 885815020 WZZISCRVKGFWCW-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE C[C@@H](CN=[N+]=[N-])N1CCCC1 1880340701 FXXPJRDIXVWJRO-ZETCQYMHSA-N 154.217 1.781 10 10 ADCE CC1=CCN(CCCN=[N+]=[N-])C1 1881430995 YWEJTBUTKDAVSX-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2CCO[C@H]2C1 1886460140 PHVHXHBDIKNEHW-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE CCNC(=O)N(CC)CCN=[N+]=[N-] 1887712298 JNFYEIFOMPMBGV-UHFFFAOYSA-N 185.231 1.348 10 10 ADCE Oc1ccc([C@@H]2NCC[C@@H]2F)cc1O 1952826424 XYXMJECPRKHEFW-XVKPBYJWSA-N 197.209 1.470 10 10 ADCE C[C@@H]1CC[C@@H]1C(=O)NCCN=[N+]=[N-] 2209287576 JHPRWDMCTUJOTC-RQJHMYQMSA-N 182.227 1.459 10 10 ADCE CC[C@H](NCCO)c1ccccc1O 20596984 DLKTXIVJBOAKLE-JTQLQIEISA-N 195.262 1.425 10 10 ADCE CCN(CCOC)c1ccc(N)cc1 42492435 WHSIIIMYVOVZMP-UHFFFAOYSA-N 194.278 1.742 10 10 ADCE Cc1ccnn1Cc1ccc(N)cc1 70629335 PLONSNHEGNWLAH-UHFFFAOYSA-N 187.246 1.822 10 10 ADCE COC[C@H]1CCN(CCCN=[N+]=[N-])C1 81110875 JSUMQTXZTKITIK-VIFPVBQESA-N 198.270 1.655 10 10 ADCE C[C@@]1(c2ccc(O)c(O)c2)CCCN1 82892679 UHRUXEGICBJWBU-NSHDSACASA-N 193.246 1.696 10 10 ADCE Oc1cc(F)ccc1[C@H]1COCCN1 82909969 ZJQBCNVXQBPVHG-SECBINFHSA-N 197.209 1.192 10 10 ADCE Oc1c(F)cccc1[C@H]1CCN1 95783976 LFHUECGYPSMEQI-MRVPVSSYSA-N 167.183 1.566 10 10 ADCE C[C@H](CO)SCCN=[N+]=[N-] 162689305 JBTPCVFUEHKFKM-RXMQYKEDSA-N 161.230 1.411 10 10 ADCE C/C(=C/C[C@@H](N=[N+]=[N-])C(=O)O)CO 219695714 SILILJJDVGITDG-HYIMLASBSA-N 185.183 1.079 10 10 ADCE Oc1ccccc1[C@H]1CC[C@H](O)CN1 258577231 IZWNCTJSOTWFMQ-WCBMZHEXSA-N 193.246 1.178 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]([C@H]2CO2)C[C@H]1O 306238441 ITNXGJXLYPSLTL-LXGUWJNJSA-N 183.211 1.225 10 10 ADCE C[C@H]1COC[C@H](C)N1CCN=[N+]=[N-] 708375137 GJDSITPWAALECA-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@H]1C[C@H](O)C1 1885273705 FNKXGIVFYAIUBM-KYZUINATSA-N 198.270 1.532 10 10 ADCE C[C@@H](O)[C@@H](C)N1CCC[C@H]1CN=[N+]=[N-] 1885284400 AUBPYAVMBIPTGC-HLTSFMKQSA-N 198.270 1.530 10 10 ADCE CC(=O)C(=O)[C@H](O)CCC1(C)CC1 1889886892 WRHQPPYHSMCTGK-MRVPVSSYSA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NCc1cc(C(=O)O)co1 1912207837 QCBDGTKVJOLOHG-UHFFFAOYSA-N 167.124 1.788 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC2(CC2)CN1 1934312486 QXOUTIPNWASNLR-LURJTMIESA-N 152.201 1.439 10 10 ADCE C[C@@H]1CNC[C@H](CN=[N+]=[N-])C1 1953339749 SDOHJHZDPYFFFQ-NKWVEPMBSA-N 154.217 1.542 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])CC[C@@H]1N 1957244459 PPJUKLDBDRJBLE-QMMMGPOBSA-N 197.286 1.356 10 10 ADCE CC1=NNC(=C2C=C=S=C2C)O1 2060380904 UQDYLJRMUPLFSI-UHFFFAOYSA-N 180.232 1.048 10 10 ADCE C[C@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 42012156 JWAPXWKCKZJZEQ-WDSKDSINSA-N 168.200 1.069 10 10 ADCE CN(CCCN=[N+]=[N-])C1CC1 42415882 KBUCUVVZGPDMMH-UHFFFAOYSA-N 154.217 1.781 10 10 ADCE Cc1ccc(O)c(CNO)c1 82842061 QVSMJBNSQYQCQI-UHFFFAOYSA-N 153.181 1.179 10 10 ADCE [N-]=[N+]=CC(=O)CCc1ccccc1 102262271 ODTNRWGIIUZDHW-UHFFFAOYSA-N 174.203 1.489 10 10 ADCE O=Cc1c(O)c(O)cc2c1CCC2 238723252 BXZZAOUZGVBORF-UHFFFAOYSA-N 178.187 1.399 10 10 ADCE CNCCc1cc(C)c(C)c(O)c1O 258056340 LBUYADXKGXCOOR-UHFFFAOYSA-N 195.262 1.477 10 10 ADCE C[C@H]1CC[C@H](N(C)CCN=[N+]=[N-])CO1 401473165 PZKRJUDSOJWRFW-IUCAKERBSA-N 198.270 1.796 10 10 ADCE C[C@@H]1CO[C@@H](CN=[N+]=[N-])C1 536958189 MHWXROIZFXYGKM-NTSWFWBYSA-N 141.174 1.722 10 10 ADCE CCNC(=O)N1CCC[C@H]1CN=[N+]=[N-] 692887223 XVHSUZIYWLQZGN-ZETCQYMHSA-N 197.242 1.491 10 10 ADCE Cc1cc(CCN=[N+]=[N-])nn1C 1535702555 HXXRLZGZSYCCPE-UHFFFAOYSA-N 165.200 1.581 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(O)cc1F 1535863563 ZJAVTLJPXCQCRF-QMMMGPOBSA-N 197.169 1.875 10 10 ADCE N[C@H](c1ccccc1O)[C@H]1C[C@@H]1F 1881897446 XVSSHJWSBWVSOM-OYNCUSHFSA-N 181.210 1.750 10 10 ADCE CCC[C@@H]1CN[C@H](CN=[N+]=[N-])OC1 1881959186 IIAKVUHMQFDFCE-SFYZADRCSA-N 184.243 1.659 10 10 ADCE N[C@H](c1ccccc1O)[C@@H]1C[C@@H]1CF 1888736147 RRPLEWXLVTXNQZ-BCMRRPTOSA-N 195.237 1.998 10 10 ADCE [N-]=[N+]=NCCN1CC=CC1 1953192878 IZRKFFQGBUBVRO-UHFFFAOYSA-N 138.174 1.169 10 10 ADCE Cn1ccnc1C=C1CC[C@@H]1CN 1954234361 RHLIRMDIVZTDII-SECBINFHSA-N 177.251 1.172 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@H]1CC1(C)C 2241597407 VESXPWVQYOMERU-SSDOTTSWSA-N 196.254 1.801 10 10 ADCE Cc1nc2ccc(O)c(O)c2o1 39255750 XGLOOOYHZPNZEK-UHFFFAOYSA-N 165.148 1.547 10 10 ADCE CC[C@@H](N)c1cc(O)ccc1O 95659849 RDSAKAJVMVZYFG-MRVPVSSYSA-N 167.208 1.508 10 10 ADCE Cc1cccc([C@@H]2CNC(=O)N2)c1O 95690245 ZJEANIQQBTWQGK-QMMMGPOBSA-N 192.218 1.055 10 10 ADCE N[C@@H]1CCc2c(C(=O)O)ccc(O)c21 238629332 KWIMYLNAPSINDZ-SSDOTTSWSA-N 193.202 1.036 10 10 ADCE Cc1c(F)ccc(O)c1CNO 257913249 BBBMIODZADPWQR-UHFFFAOYSA-N 171.171 1.319 10 10 ADCE C[C@]1(c2ccccc2O)C[C@H](F)CN1 257984261 DVTXMKXMJBCRHK-GZMMTYOYSA-N 195.237 1.939 10 10 ADCE C[C@H]1COCCCN1CCCN=[N+]=[N-] 398951712 RZVIPCXVJZQYEV-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CO[C@@H]1CN[C@H]2CC[C@@H](N=[N+]=[N-])[C@H]1C2 721331045 INZUGVROZVXQJL-JQCXWYLXSA-N 196.254 1.452 10 10 ADCE c1csc(S[C@H]2CNOC2)n1 722495677 QDUPUTBEZQEUSI-YFKPBYRVSA-N 188.277 1.139 10 10 ADCE C[C@H]1C[C@H](N=[N+]=[N-])CCS1(=O)=O 724043971 XNTHXTZMJCOPQX-NTSWFWBYSA-N 189.240 1.262 10 10 ADCE Oc1cccc([C@H](O)CF)c1O 1535735613 PHBXFOLSCPQQPL-SSDOTTSWSA-N 172.155 1.101 10 10 ADCE Cc1ccc(CNN(C)C)c(O)c1 1884126632 OQNZHBQPJRCFNC-UHFFFAOYSA-N 180.251 1.267 10 10 ADCE [N-]=[N+]=NC[C@@H](O)CC1CCC1 1889508996 BODAHJKUBIQBHK-ZETCQYMHSA-N 155.201 1.848 10 10 ADCE COCC1CN(c2ccc(N)cc2)C1 1916854975 BZVVBOJJDSAGID-UHFFFAOYSA-N 192.262 1.351 10 10 ADCE CN1N=C(CCN=[N+]=[N-])CCC1=O 1951423548 YKBNLROJNORCCO-UHFFFAOYSA-N 181.199 1.295 10 10 ADCE CC(=O)C(=O)c1ccc(F)cc1O 1951527204 ANJUDSIZHLJZLP-UHFFFAOYSA-N 182.150 1.303 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCCNC1 1957244714 SBBYCVASBFVTFL-VIFPVBQESA-N 197.286 1.228 10 10 ADCE COC(=O)C1(CN=[N+]=[N-])CCOCC1 2210029783 NSTYFJHBVUTMPG-UHFFFAOYSA-N 199.210 1.267 10 10 ADCE CC/C=C1/SC(=S)NC1=O 4705025 WQOCAQWSIYXZOP-ONEGZZNKSA-N 173.262 1.428 10 10 ADCE C[C@@H]1Nc2c(N)cccc2CN[C@@H]1C 140902664 HBCQOPCEEZENQF-SFYZADRCSA-N 191.278 1.561 10 10 ADCE [N-]=[N+]=N[C@H]1CCCCCCNC1=O 144685270 KRDHJKBYCGPBLM-ZETCQYMHSA-N 182.227 1.746 10 10 ADCE C[C@]1(N=[N+]=[N-])CCCC[C@@H]1O 196063631 XNNJMTWCMITJHV-BQBZGAKWSA-N 155.201 1.990 10 10 ADCE C[C@H](N)c1c(O)ccc2c1OCO2 212026707 FHURCSLFQFDIHP-YFKPBYRVSA-N 181.191 1.141 10 10 ADCE Oc1ccccc1[C@H]1NCC[C@H]1F 219582294 WKVLZMOLQAZWNL-PSASIEDQSA-N 181.210 1.765 10 10 ADCE CC[C@H](N)c1cc(O)cc(F)c1O 238313903 AUPRKBIISHQIDM-QMMMGPOBSA-N 185.198 1.647 10 10 ADCE COC[C@H](N)c1cc(C)cc(C)c1O 238358387 BUBIGFIBMUZRED-JTQLQIEISA-N 195.262 1.655 10 10 ADCE CO[C@H]1COCC[C@H]1N=[N+]=[N-] 238360901 VNGTVYIGXVMRIB-RITPCOANSA-N 157.173 1.101 10 10 ADCE Cc1cccc(O)c1[C@H]1COCCN1 238537264 QHLLFOQFPSRZTA-SECBINFHSA-N 193.246 1.362 10 10 ADCE Cc1cccc([C@](C)(N)CCO)c1O 238548109 LFFDYKFMPDPRSY-LLVKDONJSA-N 195.262 1.257 10 10 ADCE C=Cc1ccc(N2CC[C@@H](N)C2)cc1 238572947 CKWUDAUXFOVFTR-LLVKDONJSA-N 188.274 1.867 10 10 ADCE C=C=C[C@H](O)CCN=[N+]=[N-] 238702972 LEPHWFWOTBXUEE-LURJTMIESA-N 139.158 1.389 10 10 ADCE Oc1ccc([C@@H]2NC[C@@H]3C[C@H]32)cc1O 250886297 JCDHSUAKISUSIW-RNSXUZJQSA-N 191.230 1.378 10 10 ADCE Cc1cc(C[C@@H](C)N)c(O)c(O)c1C 257979212 DNWQJOUZPXCXCD-SSDOTTSWSA-N 195.262 1.604 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1CCOC1 398902464 DVTYQINOKFFGRP-VIFPVBQESA-N 198.270 1.655 10 10 ADCE CC(C)(CCN=[N+]=[N-])C(=O)O 687750619 INWKTQMSTVYAHT-UHFFFAOYSA-N 157.173 1.798 10 10 ADCE [N-]=[N+]=NC[C@@H]1O[C@H]2CC[C@H]1C2 1893712728 XGUCEMCCETZVGR-ACZMJKKPSA-N 153.185 1.864 10 10 ADCE CC1(C)COC[C@H](N=[N+]=[N-])[C@@H]1O 1912154635 CVKKHUYKOATSTM-WDSKDSINSA-N 171.200 1.083 10 10 ADCE CC1(C)[C@@H]2C[C@H](O)[C@H](N=[N+]=[N-])[C@H]21 1912187038 DYQVYVDEKRFKHR-BWBBJGPYSA-N 167.212 1.702 10 10 ADCE [N-]=[N+]=NCCCN1CCCO1 1912193123 BXIXYWRREAAFER-UHFFFAOYSA-N 156.189 1.324 10 10 ADCE OCCC=Cc1cc(O)c(O)c(O)c1 1951590118 CCDRJUUMDFPOGC-UHFFFAOYSA-N 196.202 1.199 10 10 ADCE CC(=O)C(=O)c1cccnc1Cl 1951888976 JFLUQZILANQTMY-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE [N-]=[N+]=NCCCN1CCC(N)CC1 1954207040 PNNHZUARQHYDCN-UHFFFAOYSA-N 183.259 1.110 10 10 ADCE C[C@@H]1C[C@H](N)CN1CCCN=[N+]=[N-] 1954208648 QJRGZDYCJWHCFZ-SFYZADRCSA-N 183.259 1.108 10 10 ADCE CCNC1CCN(CCN=[N+]=[N-])CC1 1957244153 NAWMBCKHRGHMHY-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE Nc1ccc(N2CC=CC2=O)cc1 1465722 GLJPWWSGSALFME-UHFFFAOYSA-N 174.203 1.172 10 10 ADCE CC(=O)c1scc(C)c1O 34438962 KQKIISCIZSDTHP-UHFFFAOYSA-N 156.206 1.965 10 10 ADCE CCC[C@@H](C)C(=O)NCCN=[N+]=[N-] 42012598 AUEKRZDQMANRPQ-SSDOTTSWSA-N 184.243 1.849 10 10 ADCE Oc1cc2c(cc1O)C1(CC1)CNC2 71491344 UILNYXHGFCOUJO-UHFFFAOYSA-N 191.230 1.233 10 10 ADCE N[C@@H]1CCCc2cc(O)c(O)c(O)c21 95786780 UGTLXWZZDITDPW-ZCFIWIBFSA-N 195.218 1.140 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccncc1 108433151 VRYRKPOCLNYALW-UHFFFAOYSA-N 162.152 1.575 10 10 ADCE O=C1c2ccccc2C(=O)[C@@H]2C[C@H]12 169540369 CDWPPYKYHSWCBG-DTORHVGOSA-N 172.183 1.702 10 10 ADCE CCOc1cc(O)cc(O)c1O 222787132 RFKJBNKOYVUTKE-UHFFFAOYSA-N 170.164 1.202 10 10 ADCE CC(C)(N)c1cccc(C(=O)O)c1O 238154787 WYAMGJGNCQFUDP-UHFFFAOYSA-N 195.218 1.284 10 10 ADCE COC[C@H](N=[N+]=[N-])c1ncc(F)cn1 238367989 ISTYFSAGNCQAJX-LURJTMIESA-N 197.173 1.614 10 10 ADCE N[C@H]1CCC(=O)c2cccc(O)c21 238643840 YMCNCZWMAVXASZ-ZETCQYMHSA-N 177.203 1.369 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H](CO)C1 238658681 FRTZPSBHMHTGMX-NTSWFWBYSA-N 139.158 1.234 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)/C=C/C=C/CCO 238694692 RJPNOIPVZWNPPW-ZERHIKOZSA-N 197.238 1.543 10 10 ADCE NCc1c(Cl)ccc(O)c1O 258035109 POCPKFBKVADJEA-UHFFFAOYSA-N 173.599 1.210 10 10 ADCE C[C@@]1(c2ccccc2O)NCC[C@@H]1F 258139988 QYOCGJUZCCZMLW-QWRGUYRKSA-N 195.237 1.939 10 10 ADCE Cc1ccc(N)c(O)c1[C@H]1CCN1 307338936 HRLMMVDASSHJIJ-MRVPVSSYSA-N 178.235 1.317 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1n[nH]c2c1CCC2 1535755584 MYYPMDJCHJQKBB-SSDOTTSWSA-N 193.210 1.242 10 10 ADCE NCC(F)(F)c1cccc(O)c1O 1536155020 IDYALAGPXDNUFG-UHFFFAOYSA-N 189.161 1.148 10 10 ADCE C[C@H]1C(=O)CC[C@H]1N=[N+]=[N-] 1880027465 FIMLDTFZEXVBRM-RFZPGFLSSA-N 139.158 1.664 10 10 ADCE Cc1cccc(CN[S@@](C)=O)c1O 1884126849 SWLFQHBEPVEKJG-CYBMUJFWSA-N 199.275 1.084 10 10 ADCE Cc1ccc(O)c(CN[C@H]2C[C@H]2F)c1 1887536463 JSTJWVREISBVBL-ZJUUUORDSA-N 195.237 1.901 10 10 ADCE C[C@H]1CNC[C@H]1Oc1ccc(N)cc1 1896322049 SXQOBFJZNZRBBB-GZMMTYOYSA-N 192.262 1.256 10 10 ADCE CN[C@@H](c1ccccc1O)[C@@H](C)OC 1928472710 SYEMTFBZTHIIND-LDYMZIIASA-N 195.262 1.688 10 10 ADCE COc1ccc(N2CC(N)C2)c(C)c1 1955852232 VJYBQNWFTDRXSE-UHFFFAOYSA-N 192.262 1.151 10 10 ADCE Cc1ccc(O)c(Cn2cncn2)c1 5379938 WDFDHLLQHYDQHV-UHFFFAOYSA-N 189.218 1.340 10 10 ADCE CCOc1cc(C=O)cc(O)c1O 39372261 OWZZRUPQHSLPPI-UHFFFAOYSA-N 182.175 1.309 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCCCO1 42465517 ZHQLQOVREPCKNX-VIFPVBQESA-N 198.270 1.798 10 10 ADCE N[C@@H](CO)c1ccc(Cl)cc1O 72197605 QLBUOZUNODNMQL-ZETCQYMHSA-N 187.626 1.038 10 10 ADCE Cc1c[nH]nc1-c1ccc(CN)n1C 74274008 QXSMIFRYWBKHAV-UHFFFAOYSA-N 190.250 1.182 10 10 ADCE 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1.777 10 10 ADCE Nc1sccc1C(=O)NC1CCC1 257939510 QNELRABUUUZKPG-UHFFFAOYSA-N 196.275 1.613 10 10 ADCE [N-]=[N+]=NCc1cccc([C@H](O)CO)c1 259310238 FFADRLGDGJIZKL-SECBINFHSA-N 193.206 1.523 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@@]12CCOC2 306183085 ZPXVWXDJWZYJRM-BQBZGAKWSA-N 153.185 1.866 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H]([C@H]2CO2)CC[C@H]1O 306354348 QYSWKBRXNGUAAZ-WCTZXXKLSA-N 183.211 1.225 10 10 ADCE CC[C@H](NC(=N)N)c1ccccc1O 306582848 PLDGYWPOGKDPMK-QMMMGPOBSA-N 193.250 1.326 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](F)[C@@H](F)C1 714516677 CMDZNUIIJBRJJE-WDSKDSINSA-N 176.170 1.289 10 10 ADCE CO[C@H]1CC[C@@H]1N(C)CCCN=[N+]=[N-] 724140553 PEZUJJTXDOEFCQ-IUCAKERBSA-N 198.270 1.796 10 10 ADCE C[C@@H](CO)N1CCC[C@H]1CN=[N+]=[N-] 1882184918 DQIQGIJMILSTLE-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE CO[C@@H]1C[C@H]1[C@@H](N)c1ccccc1O 1928479411 UJDPRVNFAGEGSW-IEBDPFPHSA-N 193.246 1.427 10 10 ADCE CC[C@@H](C(=O)O)c1cc(O)nc(O)c1 1952218762 QHPHRBHXRFRHPS-ZCFIWIBFSA-N 197.190 1.071 10 10 ADCE CC1(CN2CC(N=[N+]=[N-])C2)CC1 1953395913 RHFWTPUCGLHPDE-UHFFFAOYSA-N 166.228 1.781 10 10 ADCE CN(CCCN)CCCCN=[N+]=[N-] 1954207485 WYBVGRNCZIVLCZ-UHFFFAOYSA-N 185.275 1.358 10 10 ADCE Nc1ccc(NC(=S)S)cc1 5933307 XKLQMXRDMBQKSK-UHFFFAOYSA-N 184.289 1.895 10 10 ADCE Nc1ccc(CCNC2CC2)cc1 40408381 ALAMCFWXFNIVJF-UHFFFAOYSA-N 176.263 1.563 10 10 ADCE Cn1ccnc1SCCN=[N+]=[N-] 42416357 JRIHQOSYLXXWCW-UHFFFAOYSA-N 183.240 1.823 10 10 ADCE C[C@H](c1cccc(F)c1O)N(C)O 82877797 TWDOKBHCRFODFU-ZCFIWIBFSA-N 185.198 1.913 10 10 ADCE C[C@@H](N)c1c(F)ccc(C(=O)O)c1O 95718054 DLRXKVUOLJPWEO-SCSAIBSYSA-N 199.181 1.249 10 10 ADCE NCc1sc2c(c1O)CCCO2 106737845 FNOYNCZWMQBKOZ-UHFFFAOYSA-N 185.248 1.237 10 10 ADCE C[C@H](O)CCN=[N+]=[N-] 159664547 QBLHJNILSZGNTF-BYPYZUCNSA-N 115.136 1.068 10 10 ADCE CN[C@@H](C)c1cc(O)c(O)c(OC)c1 211760656 KADXEJMJECYCDK-LURJTMIESA-N 197.234 1.387 10 10 ADCE Nc1ccc(C[C@H]2CCCCN2)cc1 213489415 OOUJTMZYSYCBBR-GFCCVEGCSA-N 190.290 1.953 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@@H]1CO1 238252608 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1.086 10 10 ADCE CNCC[C@H](C)Nc1ccccc1N 1888923960 YPHFCOYPPDMXGZ-VIFPVBQESA-N 193.294 1.679 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@H](N)C12CCC2 1893381893 GITDSYCBXRPMSH-RNFRBKRXSA-N 166.228 1.814 10 10 ADCE CC(C)(C)N=[N+]([O-])c1nonc1N 1912132279 LUZRHQDRONFSRM-UHFFFAOYSA-N 185.187 1.044 10 10 ADCE [N-]=[N+]=N[C@@H]1COCC2(CCCC2)[C@@H]1O 1912165475 LGPMLZKKHZTPDO-HTQZYQBOSA-N 197.238 1.617 10 10 ADCE Cc1cc(N2CC(F)C2)ccc1CO 1916986956 ITKLNKFTPIQCAN-UHFFFAOYSA-N 195.237 1.645 10 10 ADCE C[S@@](=N)(=O)CCc1ccc(N)cc1 1953083475 PLXKOQSPASBHEF-CYBMUJFWSA-N 198.291 1.488 10 10 ADCE CC[C@@H]1CC=C[C@](O)(C(=O)C(C)=O)C1 1957378645 OXFIJBSYFBCMTB-MWLCHTKSSA-N 196.246 1.252 10 10 ADCE CCOc1cc(F)cc(O)c1O 2054912427 ITGZOISITZUWQG-UHFFFAOYSA-N 172.155 1.636 10 10 ADCE CC(C)c1sc(CO)c(O)c1N 2080418488 SGZVOHZWYDRKKJ-UHFFFAOYSA-N 187.264 1.652 10 10 ADCE Cc1cc(=O)c2c(O)c(O)ccc2o1 199140 AVOHNZXRDPSFMI-UHFFFAOYSA-N 192.170 1.513 10 10 ADCE COc1ccc([C@H](C)N)c(O)c1OC 34256860 FCARLFYVENFHIW-LURJTMIESA-N 197.234 1.429 10 10 ADCE c1csc(SC2CNC2)n1 54931812 JSAWBKHKBNJKIU-UHFFFAOYSA-N 172.278 1.207 10 10 ADCE [N-]=[N+]=N[C@@H]1COc2ccccc2C1=O 140796680 IZHKRIBZZHYXGV-SSDOTTSWSA-N 189.174 1.941 10 10 ADCE C[C@H](N)c1cc2c(cc1O)OCO2 212027061 CFTROUDLQATKIQ-YFKPBYRVSA-N 181.191 1.141 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H](CCO)C1 227431132 IQWZKNRQHUYWFJ-VIFPVBQESA-N 198.270 1.391 10 10 ADCE N[C@H]1CCc2c(F)ccc(O)c21 238618700 RKLJMNWLEMKGNQ-ZETCQYMHSA-N 167.183 1.477 10 10 ADCE N[C@@H](c1c(O)cccc1O)C1CCC1 238672304 NVILDZRPVBHPAJ-LLVKDONJSA-N 193.246 1.898 10 10 ADCE COc1ccc(N(C)CN)cc1 258956247 VHESQDZVLUGBOQ-UHFFFAOYSA-N 166.224 1.048 10 10 ADCE [N-]=[N+]=N/C=C/C(=O)N1CCCC1 307183549 YJOAYTDHAMWACD-ONEGZZNKSA-N 166.184 1.433 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc(F)cn1 1535849161 BQXXCVGWBOSMKZ-SSDOTTSWSA-N 182.158 1.564 10 10 ADCE Nc1ccc(CN[C@@H]2CC2(F)F)cc1 1884638572 SHZHAYUVLBFWIP-SECBINFHSA-N 198.216 1.766 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1CCO1 1887718397 WDKAENBKPLVBTA-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE C[C@@H]1NCC[C@H]1Nc1ccc(N)cc1 1888915570 SSMALWVFDYRXOC-GZMMTYOYSA-N 191.278 1.431 10 10 ADCE CN(CCN=[N+]=[N-])C1(CCO)CCC1 1905550817 QGDDNWHXMKUEEL-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@H]1C[C@H]21 1954431704 BEZAVBXSEDIEQV-HXFLIBJXSA-N 178.239 1.637 10 10 ADCE [N-]=[N+]=NC[C@H]1NCC[C@@H]1C1CC1 2080990023 QAHYGOPEAAPBFY-HTQZYQBOSA-N 166.228 1.685 10 10 ADCE CN(CC1CC1)C(=O)NCCN=[N+]=[N-] 2208462939 XFQLUPWAAWADDH-UHFFFAOYSA-N 197.242 1.348 10 10 ADCE C[C@@H]1CC[C@H]1C(=O)NCCCN=[N+]=[N-] 2209769904 WUUXXHRAEBLNNH-HTQZYQBOSA-N 196.254 1.849 10 10 ADCE C[C@]1(N)CCc2cc(O)c(O)cc2C1 6032121 SCGLDRJDTNNLIA-NSHDSACASA-N 193.246 1.304 10 10 ADCE CC(=O)N/C=C/c1ccc(O)c(O)c1 13509415 LTVSVRGGYNFOEB-SNAWJCMRSA-N 193.202 1.205 10 10 ADCE C[C@@H](N)c1cccc(S)c1O 104513580 SDEKQKXIGFEWMZ-RXMQYKEDSA-N 169.249 1.701 10 10 ADCE CCn1ccnc1/C(C)=C\CCN 211504564 GVODDADCYKFHOL-UITAMQMPSA-N 179.267 1.655 10 10 ADCE NC1(c2ccc(Cl)cc2O)CC1 221339776 YMWUCSZVILTCGS-UHFFFAOYSA-N 183.638 1.993 10 10 ADCE CO[C@H]1C=COC[C@H]1N=[N+]=[N-] 238339640 HVIFOMPPEICIQO-RITPCOANSA-N 155.157 1.224 10 10 ADCE C[C@H](N)c1ccc(N2CCC2)cc1 306286612 DMAUNMCLADTKLC-VIFPVBQESA-N 176.263 1.916 10 10 ADCE C/C=C\C[C@H](N=[N+]=[N-])C(=O)O 379037745 FXBGSPLRQXMWHC-KQLGLEPJSA-N 155.157 1.716 10 10 ADCE NC/C=C\c1cccc(O)c1O 687678571 WVXVQDNKHIEBAF-RQOWECAXSA-N 165.192 1.070 10 10 ADCE C[C@@H]1COC[C@H]1N(C)CCCN=[N+]=[N-] 710951150 FTLXCJLEMVIMBT-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE COc1ccc(CN=[N+]=[N-])nc1 1535845989 IKELRJKAGMMXTI-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE C[C@H]1C[C@@]1(F)C(=O)NCCN=[N+]=[N-] 1884203462 WNWHHHGNKVIDPU-FSPLSTOPSA-N 186.190 1.161 10 10 ADCE CO[C@H]1CC[C@H](N(C)CCN=[N+]=[N-])C1 1887011855 RAXIBSRHOGKIIH-IUCAKERBSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@@H]2C1=O 1912153660 CVTKWQARUGBVFH-YUMQZZPRSA-N 194.238 1.555 10 10 ADCE COc1c(F)cccc1C(=O)C(C)=O 1951517730 YRVAQVXLHMRGBC-UHFFFAOYSA-N 196.177 1.606 10 10 ADCE CN1CCc2cc([C@@H](N)CF)ccc21 1952315571 QUIYDGIPQGXXAL-JTQLQIEISA-N 194.253 1.648 10 10 ADCE [N-]=[N+]=C1CCCCC1 34849888 RICNAEXRYUNDCD-UHFFFAOYSA-N 110.160 1.621 10 10 ADCE CC(C)[C@H]1C[C@@H](O)[C@@H](O)[C@H](N=[N+]=[N-])C1 38251794 BDYWVUQEYQSNBH-BGZDPUMWSA-N 199.254 1.453 10 10 ADCE Nc1ccc(Nc2ccncn2)cc1 40862847 RRLQXAZITDNVTC-UHFFFAOYSA-N 186.218 1.802 10 10 ADCE Cc1cc2cc(O)c(CN)cc2o1 82869422 VISSYIXMMFSKFE-UHFFFAOYSA-N 177.203 1.906 10 10 ADCE Cc1ccc(C(=O)C=[N+]=[N-])cc1C 84443981 WHWYTNDAQFDFBI-UHFFFAOYSA-N 174.203 1.787 10 10 ADCE N[C@@H](CC1CC1)c1ccc(O)c(O)c1 95672432 AXPWSIODSQMZIE-VIFPVBQESA-N 193.246 1.898 10 10 ADCE CN(C)c1ccc2c(c1)OCC[C@@H]2N 104676271 HZSWIQZJQUCECC-JTQLQIEISA-N 192.262 1.535 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC1=O 130734491 XTYFQXTXOIRSEK-BYPYZUCNSA-N 125.131 1.418 10 10 ADCE CC(C)[C@@H](N)CN=[N+]=[N-] 217613242 KNARGGBQCOUKDO-YFKPBYRVSA-N 128.179 1.280 10 10 ADCE ONCc1c(O)ccc(F)c1F 257986561 KENNFTNIZLSKOW-UHFFFAOYSA-N 175.134 1.149 10 10 ADCE Cn1cc(CCCN=[N+]=[N-])cn1 314196625 OZJATHCRLQBCGR-UHFFFAOYSA-N 165.200 1.663 10 10 ADCE [N-]=[N+]=NCCOCC1CC1 690520491 HVBOLMRQUJEZAF-UHFFFAOYSA-N 141.174 1.723 10 10 ADCE C[C@@H]1COC[C@@H](C)N1CCN=[N+]=[N-] 708375134 GJDSITPWAALECA-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE CO[C@@H]1CC[C@@H]1N(C)CCN=[N+]=[N-] 724143720 YMJQFIUGJBYJQN-JGVFFNPUSA-N 184.243 1.406 10 10 ADCE CCC(=O)N1CCC(CN=[N+]=[N-])CC1 885818917 VSCDWWAAPCGZII-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE CO[C@@H]1C[C@H]1Nc1ccc(N)cc1 1882825222 XSDUSABAHPDNKM-NXEZZACHSA-N 178.235 1.468 10 10 ADCE [N-]=[N+]=NCCCCN1CC=C[C@H]1CO 1884398319 CJKKKNUPNNBOGT-VIFPVBQESA-N 196.254 1.310 10 10 ADCE C[C@H](Nc1ccc(N)cc1)C1CNC1 1888914813 IRPJXXMQWHVVIF-QMMMGPOBSA-N 191.278 1.289 10 10 ADCE CC[C@@H](N)CCN=[N+]=[N-] 1890568216 OILWFOTYQUZJIR-RXMQYKEDSA-N 128.179 1.424 10 10 ADCE COCCN1CCC[C@@H](N=[N+]=[N-])CC1 1934381251 PXQAUPRQKCPUSM-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC(=O)C(=O)Cc1cccc(F)c1F 1951501641 MCYUKBKAJXCSLJ-UHFFFAOYSA-N 198.168 1.665 10 10 ADCE CSC[C@@H](N)c1cc(O)ccc1O 1952236471 NKSKISXQJHISGI-MRVPVSSYSA-N 199.275 1.461 10 10 ADCE CC1(C)CCCN(CCN=[N+]=[N-])C1=O 1956249335 YKGGYYPPADTWQS-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE CCC[C@H](N)CNc1ccc(N)cc1 2209519914 BRKKIFORTSGASX-JTQLQIEISA-N 193.294 1.808 10 10 ADCE C[C@@H](N)c1cccc(F)c1O 82844038 WBYCHYDVKNGTLZ-RXMQYKEDSA-N 155.172 1.551 10 10 ADCE CN(C)Cc1cc(F)cc(N)c1O 82887735 UFSWQMWERXEVIH-UHFFFAOYSA-N 184.214 1.175 10 10 ADCE C[C@@H](N)c1c(F)ccc(N)c1O 104506634 JKNMYDWGRKWQGK-SCSAIBSYSA-N 170.187 1.133 10 10 ADCE C[C@@H](N)c1cc(N)c(F)cc1O 104507334 LCGYJRWCLSQFAY-SCSAIBSYSA-N 170.187 1.133 10 10 ADCE O=C(O)Cc1sc(C2CC2)cc1O 108309344 HYPADBVDBCWMCY-UHFFFAOYSA-N 198.243 1.958 10 10 ADCE CONCc1c(O)cccc1Cl 133003755 RIITULPFOMZBMN-UHFFFAOYSA-N 187.626 1.697 10 10 ADCE CCOC(=O)C1(C(=O)CN=[N+]=[N-])CC1 198553294 XRZKIEUUVFHAFF-UHFFFAOYSA-N 197.194 1.209 10 10 ADCE CC1(CCN=[N+]=[N-])COC1 199446661 LYIUIBIGCRKIND-UHFFFAOYSA-N 141.174 1.723 10 10 ADCE COC(=O)OCc1ccc(N)cc1 202465501 LXDQSMKVBIUCPY-UHFFFAOYSA-N 181.191 1.552 10 10 ADCE C[C@@H](N)c1c(O)ccc2c1OCCO2 212147740 RPIQVUBCPNZQMD-ZCFIWIBFSA-N 195.218 1.183 10 10 ADCE Nc1ccc(OCC2COC2)cc1 212811278 SKBRKFIWAXOVSU-UHFFFAOYSA-N 179.219 1.294 10 10 ADCE CN(O)Cc1ccc(O)c(F)c1O 214469027 QYHBZPYAEDHSID-UHFFFAOYSA-N 187.170 1.058 10 10 ADCE [N-]=[N+]=NC[C@H]1COc2cnccc21 238592913 CFENGZASFLIDGJ-LURJTMIESA-N 176.179 1.868 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@H]1C[C@H]2CC[C@H]1O2 307082431 PWQABCJIURXNQJ-OOJXKGFFSA-N 183.211 1.225 10 10 ADCE C[C@H]1[C@H](O)CCCN1CCN=[N+]=[N-] 307737636 VGMWIDWFEUSDQH-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE C[C@H]1CNCC/C1=C/c1nccn1C 690647260 MMUGKDOBRGLBAV-CBFJXKFUSA-N 191.278 1.433 10 10 ADCE N[C@@H]1CC(=O)c2cc(F)c(F)c(O)c21 713769141 AFEJWUJUHHZXHU-RXMQYKEDSA-N 199.156 1.257 10 10 ADCE CC[C@H](O)CNCc1ccc(N)cc1 1884663062 HAOFDIWWPXHVIH-NSHDSACASA-N 194.278 1.129 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@H](C2CC2)CCO1 1912199199 POINFELWJOXZLK-JGVFFNPUSA-N 182.227 1.411 10 10 ADCE N[C@H](COC1CC1)c1ccccc1O 1928481180 SBCIGAULYFAHTK-SNVBAGLBSA-N 193.246 1.571 10 10 ADCE C=CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1934381639 UNLXDOZYXIUPMJ-QMMMGPOBSA-N 194.238 1.864 10 10 ADCE C[C@H]1CCC[C@@H](CN)N1CCN=[N+]=[N-] 1957243881 IUXQNENMQPTXKR-IUCAKERBSA-N 197.286 1.498 10 10 ADCE Nc1sccc1C(=O)c1ccc[nH]1 75492683 NQZOZIWOQGYLHM-UHFFFAOYSA-N 192.243 1.889 10 10 ADCE CC[C@@H](N)c1cc([N+](=O)[O-])ccc1O 95658963 XKNBEQHQFPAUMJ-MRVPVSSYSA-N 196.206 1.710 10 10 ADCE CCc1cc(O)c(C(=O)O)s1 108289865 STVLVJCTCUIBJW-UHFFFAOYSA-N 172.205 1.714 10 10 ADCE COCCCc1ccc(N)cc1 142129239 KUXQTBREJDOOSH-UHFFFAOYSA-N 165.236 1.848 10 10 ADCE C[C@H](N)c1cc(C(=O)O)ccc1O 211761565 JKJXFVVZJLLMFL-YFKPBYRVSA-N 181.191 1.110 10 10 ADCE C[C@H]1NCCc2c(F)ccc(O)c21 212920115 KJUYGSVLYXHJFG-ZCFIWIBFSA-N 181.210 1.738 10 10 ADCE NC1(c2c(O)ccc(O)c2F)CC1 214324574 OKTOVHXZKZGAPK-UHFFFAOYSA-N 183.182 1.185 10 10 ADCE CCO[C@@H](C[C@@H](C)O)N=[N+]=[N-] 238259255 AQKPBRNQFALDNL-RITPCOANSA-N 159.189 1.430 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@@H](C(=O)O)C1 238658130 DFFGFVLWRXEXJU-RITPCOANSA-N 169.184 1.940 10 10 ADCE Cc1cc(O)c(O)cc1CC[C@@H](C)N 257867953 XLGPTFKTHGAAFY-MRVPVSSYSA-N 195.262 1.686 10 10 ADCE C[C@@H](N)c1c(O)ccc2cnccc12 259728279 MIIFWOARJJOZNI-SSDOTTSWSA-N 188.230 1.960 10 10 ADCE CN1CCc2cc([C@@H](O)CF)ccc21 1535881118 YUJBDARUOZJLLE-NSHDSACASA-N 195.237 1.682 10 10 ADCE CC(F)(F)[C@H](CO)N=[N+]=[N-] 1536085970 WRYVSAIZDPMNTD-VKHMYHEASA-N 151.116 1.313 10 10 ADCE CO[C@H]1C[C@H]1CN(C)CCN=[N+]=[N-] 1882816309 YVVOYMHLUPLIQF-YUMQZZPRSA-N 184.243 1.263 10 10 ADCE CO[C@@H]1CCN(CCN=[N+]=[N-])C[C@H]1C 1912175730 PIMHWBLSRDEAJB-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE Oc1cc([C@@H](O)C2CC2)cc(O)c1O 1951374012 DJZMCEYNGCLSHZ-VIFPVBQESA-N 196.202 1.247 10 10 ADCE CC(=O)C(=O)[C@H]1CCSC1(C)C 1952630431 JYGWRRHLJISHAE-SSDOTTSWSA-N 186.276 1.676 10 10 ADCE CON(CCN=[N+]=[N-])C1CCC1 1953619227 KCWACZOFFCZBTH-UHFFFAOYSA-N 170.216 1.713 10 10 ADCE CCONCc1c(C)cccc1O 1954507274 QGBCYTNCSYUNKP-UHFFFAOYSA-N 181.235 1.742 10 10 ADCE CN1CCN(CCCN=[N+]=[N-])[C@@H]2C[C@@H]21 1956636129 GWJHEFMNXBTLRY-DTWKUNHWSA-N 195.270 1.075 10 10 ADCE Nc1ccc(NC2[C@H]3COC[C@H]23)cc1 1957279633 ILLUZOBHFTXDMZ-UWVGGRQHSA-N 190.246 1.326 10 10 ADCE [N-]=[N+]=NCCSCCCCO 2208971282 STHGPXGNNULKIU-UHFFFAOYSA-N 175.257 1.802 10 10 ADCE CCn1ccnc1CN=[N+]=[N-] 54743743 UUCHXGLZTLDOLG-UHFFFAOYSA-N 151.173 1.713 10 10 ADCE O=C(O)c1sc2ccncc2c1O 84228197 ZWTJOPWOJTTZSJ-UHFFFAOYSA-N 195.199 1.700 10 10 ADCE Nc1ccc(CC(=O)OCCF)cc1 87776897 COSRDPSQWQNQKA-UHFFFAOYSA-N 197.209 1.324 10 10 ADCE N[C@H](CCCCO)c1ccccc1O 104459269 WOEBZHYCLXDKGC-SNVBAGLBSA-N 195.262 1.555 10 10 ADCE O=[N+]([O-])c1ccc(/N=N/N2CC2)cc1 104840192 OFVUUQYHGRYBHR-MDZDMXLPSA-N 192.178 1.909 10 10 ADCE [N-]=[N+]=N[C@H]1COC[C@H]1OCC1CC1 137690280 YGTJWDROHKRLHF-JGVFFNPUSA-N 183.211 1.491 10 10 ADCE O[C@H]1Cc2cc3c(cc21)OCO3 196219187 QBNGKWQQHKNOGS-ZETCQYMHSA-N 164.160 1.005 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@@H](CO)C1 197008791 QLBOJLSVGFBYOQ-RITPCOANSA-N 141.174 1.458 10 10 ADCE NCC(=S)/C=C(/N)c1ccccc1 200484478 VYLAWYNOXHBRHV-UXBLZVDNSA-N 192.287 1.315 10 10 ADCE CC1=Nc2ccccc2C(=O)C1=O 211370209 XUHCHCFOCDKNIY-UHFFFAOYSA-N 173.171 1.544 10 10 ADCE CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O 211768427 FYEIPGOGBMPGJV-LURJTMIESA-N 196.206 1.581 10 10 ADCE C[C@@]1(O)CCCN(CCN=[N+]=[N-])CC1 230374620 RURXPVQRGBLZRD-SECBINFHSA-N 198.270 1.534 10 10 ADCE Nc1cccc([C@H](N)C2CC2)c1O 238666218 FCRLMQPGXBXHIR-SECBINFHSA-N 178.235 1.384 10 10 ADCE CCCON=[N+]([O-])N(CC)CC 256074474 SRMGPOJFLKZFES-UHFFFAOYSA-N 175.232 1.547 10 10 ADCE CN(C)[C@@H]1CCOc2cccc(O)c21 257812309 BRJHJLUQEIRICI-MRVPVSSYSA-N 193.246 1.777 10 10 ADCE CC(C)(N)c1c(O)ccc2c1OCO2 258153039 UIVOMPYCBZZZOB-UHFFFAOYSA-N 195.218 1.315 10 10 ADCE Cn1ccnc1/C=C1/C[C@H](N)C1(C)C 690647531 OABORZWQDWAIIO-FUOZMLNRSA-N 191.278 1.561 10 10 ADCE COc1ncccc1CCN=[N+]=[N-] 1535866357 NYQWCNSKDJPSKU-UHFFFAOYSA-N 178.195 1.943 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@@H]1CCC2(CC2)C1 1886002158 RWADKNBHCMLTPX-SCZZXKLOSA-N 196.246 1.086 10 10 ADCE CSc1cc(N(C)C)ccc1CN 1893838425 YKLSUFJAWVVGDD-UHFFFAOYSA-N 196.319 1.933 10 10 ADCE CCCC[C@](O)(CC)C(=O)C(C)=O 1918931362 RVUMXRJRZZHENU-SNVBAGLBSA-N 186.251 1.476 10 10 ADCE Cc1ccncc1[C@H](O)CN=[N+]=[N-] 1954461770 WBXWFXNWTNDYQQ-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE C[C@H]1CO[C@H](CN2CC(N=[N+]=[N-])C2)C1 1954968764 PDRFNENLSXZNCE-APPZFPTMSA-N 196.254 1.406 10 10 ADCE CC1(C)C[C@H](N)CN1CCCN=[N+]=[N-] 1957244927 UJOSBABFTWZCBO-QMMMGPOBSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=N[C@H]1CC=CC[C@H]1O 34213169 UHAGTQQTBGSUKD-NTSWFWBYSA-N 139.158 1.376 10 10 ADCE CC1=CNC(=S)SC1 104617626 YVVYCZIJWXPTJU-UHFFFAOYSA-N 145.252 1.512 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@@H]1C(=O)O 143123418 CLIFLWVRVKRPFM-WHFBIAKZSA-N 155.157 1.550 10 10 ADCE Cc1cn(-c2ccc(N)cc2)c(=O)[nH]1 162732259 CSRDGESPXUGCON-UHFFFAOYSA-N 189.218 1.056 10 10 ADCE CO[C@@H]1CCCO[C@@H]1CN=[N+]=[N-] 210801783 ISSSHCAAJZGPLJ-RNFRBKRXSA-N 171.200 1.491 10 10 ADCE Cc1cc([C@H](C)N)c(O)c([N+](=O)[O-])c1 211793734 IZPGGAWVFLWEAL-LURJTMIESA-N 196.206 1.629 10 10 ADCE O=C1C(=O)[C@H]2C[C@@H]3C[C@@H](C[C@H]13)C2 238674934 FRDDASHJNYOMRX-CWKFCGSDSA-N 164.204 1.191 10 10 ADCE Cc1cc(O)c(O)cc1CC1(N)CC1 257819899 DDLSKXBJGUYUSD-UHFFFAOYSA-N 193.246 1.440 10 10 ADCE CN[C@@H]1CCCc2cccc(O)c21 257963991 XUBNKHNEDHSNFA-SECBINFHSA-N 177.247 1.989 10 10 ADCE CC[C@@H](O)CCc1ccc(N)cc1 695927944 WRTMRKAFOIYNBR-LLVKDONJSA-N 179.263 1.972 10 10 ADCE C[C@@H](ON)c1ccc(O)c(O)c1 1535859882 CFIJDYBXQNDLNQ-RXMQYKEDSA-N 169.180 1.049 10 10 ADCE CC1([C@H](O)CN=[N+]=[N-])CC1 1880072435 TUOMJLKRGKFALA-RXMQYKEDSA-N 141.174 1.458 10 10 ADCE [N-]=[N+]=NCCCC1(N)CCC1 1880518208 RIJTXQWHUYAIOF-UHFFFAOYSA-N 154.217 1.958 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](CO)C12CC2 1888315241 GZLUTHFCOMYDFR-MRVPVSSYSA-N 196.254 1.144 10 10 ADCE C[C@H]1CNC[C@@H]1Nc1ccccc1N 1888905056 JMWMLPBICRDPGI-KWQFWETISA-N 191.278 1.289 10 10 ADCE CN(CCN=[N+]=[N-])CC1CC(F)C1 1912187472 HMVYHABYUVFSFF-UHFFFAOYSA-N 186.234 1.977 10 10 ADCE Cc1cccc([C@@H](N)C(C)(C)O)c1O 1951474471 BJFCOZJAHPIHNO-SNVBAGLBSA-N 195.262 1.471 10 10 ADCE O=C1CCN[C@@H]1c1ccc(F)cc1O 1951857782 VWCZAQQZNLWNTI-SNVBAGLBSA-N 195.193 1.135 10 10 ADCE CN1CCN(CCN=[N+]=[N-])[C@H]2CC[C@H]21 1956640034 YBAFVIDTTFAAIU-BDAKNGLRSA-N 195.270 1.075 10 10 ADCE CC[C@@H]1CC=C[C@@](O)(C(=O)C(C)=O)C1 1957378644 OXFIJBSYFBCMTB-KOLCDFICSA-N 196.246 1.252 10 10 ADCE CCc1ccc(F)c(O)c1O 2060111513 REBMQDOZBQFTAR-UHFFFAOYSA-N 156.156 1.799 10 10 ADCE NN[C@H](c1ccc(F)cc1O)C1CC1 2080465885 UXGAVCKNMLKWCW-JTQLQIEISA-N 196.225 1.446 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1C[C@H]2CC[C@H]1O2 2209830067 CZYYIDCYTSEWLD-IWSPIJDZSA-N 196.254 1.548 10 10 ADCE [N-]=[N+]=NCCCN(CCO)C1CC1 42480640 IDXUHAIQRIDIMJ-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE CCc1ccc(O)c([C@@H](N)[C@H](C)O)c1 95770292 CVFDJFRFNYOHKY-CPCISQLKSA-N 195.262 1.335 10 10 ADCE NCc1ccc(N2CC[C@H](F)C2)cc1 107260398 WDVJOTVURLPISV-JTQLQIEISA-N 194.253 1.694 10 10 ADCE CN(CCCN=[N+]=[N-])CC(F)F 122787409 MHASYMXWEFTIPM-UHFFFAOYSA-N 178.186 1.884 10 10 ADCE CC[C@H](CO)Nc1c(C)cccc1N 125563968 IQRCHQFSKXICPQ-SECBINFHSA-N 194.278 1.760 10 10 ADCE CNC(=S)Nc1ccc(N)cc1 146238215 OONNPYIZJUFDIO-UHFFFAOYSA-N 181.264 1.185 10 10 ADCE C/C=C(/C(=O)O)[C@H](C)N=[N+]=[N-] 220866021 TXHSQPZMCJELRA-MXFQXMHVSA-N 155.157 1.716 10 10 ADCE COC(=O)Oc1cccc(O)c1O 238327857 ZNQFTUHWGDXXHG-UHFFFAOYSA-N 184.147 1.243 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)[C@@H]1F 238660067 HBIYVRRIGCNLAI-UOWFLXDJSA-N 145.137 1.158 10 10 ADCE COC[C@@H]1Cc2cccc(O)c2CN1 257823771 GRGXOWDYZPJIGO-VIFPVBQESA-N 193.246 1.053 10 10 ADCE NC1(c2cccc(O)c2O)CCCC1 258189496 XEQOWUOYXJIISS-UHFFFAOYSA-N 193.246 1.826 10 10 ADCE Oc1ccccc1CN1CC(F)C1 306175737 NFEFGZDYSYOXID-UHFFFAOYSA-N 181.210 1.546 10 10 ADCE [N-]=[N+]=NC[C@H]1CC2(CO1)CC(=O)C2 536958710 UAFVPEHCAANFJL-SSDOTTSWSA-N 181.195 1.435 10 10 ADCE [N-]=[N+]=NC[C@@H]1CNC(=N)N1C1CCC1 712376966 RWHXXUDRBHEZDG-ZETCQYMHSA-N 194.242 1.058 10 10 ADCE N[C@@H]1COc2cc(F)c(F)c(O)c21 713785216 SDBCBENXXXNEJB-SCSAIBSYSA-N 187.145 1.063 10 10 ADCE Nc1ccc(O[C@@H]2CC[C@H]2N)cc1 1877580817 NXUZTDLJMZJYBW-NXEZZACHSA-N 178.235 1.137 10 10 ADCE C/C=C/CN1CC(N=[N+]=[N-])C1 1880161395 NUFSQIUTUUWBCC-NSCUHMNNSA-N 152.201 1.557 10 10 ADCE C[C@@H]1C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1883866234 BYWCEMOFNLNTOZ-IYSWYEEDSA-N 180.211 1.164 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCOC2)C1 1912166445 XOTTZOBIXMDPTJ-HTQZYQBOSA-N 182.227 1.160 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN([C@@H]2CCOC2)C1 1912208960 XXDIJJPCFDDGGS-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE Cc1ccc([C@@]2(C)CCN2)c(O)c1 1952219946 XFYJQQSDURCLHN-LLVKDONJSA-N 177.247 1.909 10 10 ADCE NCC[C@@H](F)Cc1ccc(O)c(O)c1 1952597203 XJFHWRHAYMZQFU-MRVPVSSYSA-N 199.225 1.327 10 10 ADCE Cn1ccnc1C=C1CNCC12CC2 2209834209 YUCKISKMJLVAKF-UHFFFAOYSA-N 189.262 1.187 10 10 ADCE O=C(C(=O)c1ccc[nH]1)c1ccc[nH]1 37624888 CNYOKYNQIFHEKX-UHFFFAOYSA-N 188.186 1.408 10 10 ADCE Cc1nccn1CCCN=[N+]=[N-] 42416080 ULICRGJBYWHGBG-UHFFFAOYSA-N 165.200 1.892 10 10 ADCE CC1=NC=CC(=S)C1 45814779 ASFGUZKLXBECSU-UHFFFAOYSA-N 125.196 1.735 10 10 ADCE COc1cc(O)c([C@@H](C)N)c(OC)c1 95663218 ZQHQTDDWSRTSLK-ZCFIWIBFSA-N 197.234 1.429 10 10 ADCE CNCc1c(O)ccc2c1CCCC2 108301821 ZWYSCSXEOFUSQZ-UHFFFAOYSA-N 191.274 1.990 10 10 ADCE CCCOCCOC(=O)CN=[N+]=[N-] 108412549 OWMDXMVZRDXFPT-UHFFFAOYSA-N 187.199 1.267 10 10 ADCE CCN(C)Cc1cc(OC)ccc1O 132543873 KCFCPQDBCHMEPD-UHFFFAOYSA-N 195.262 1.853 10 10 ADCE CN[C@@H]1CCc2cccc(O)c21 147328781 IQKACIYAXCLCEN-MRVPVSSYSA-N 163.220 1.599 10 10 ADCE CC(C)(N)c1c(O)cc(F)cc1F 214473479 GGSKJBJSLYJECY-UHFFFAOYSA-N 187.189 1.864 10 10 ADCE CCOC(=O)[C@@H](N=[N+]=[N-])[C@@H](C)N=[N+]=[N-] 231422785 MLGPTQMQRIFUMH-UHNVWZDZSA-N 198.186 1.927 10 10 ADCE CN(/N=N/C(N)=S)c1ccccc1 238308879 PLYAUYVTGBBIAU-ZHACJKMWSA-N 194.263 1.734 10 10 ADCE C[C@@H](NO)c1ccc(O)c(O)c1 238409874 MDCAPXRVCAUMEZ-RXMQYKEDSA-N 169.180 1.138 10 10 ADCE C[C@H](CN=[N+]=[N-])C(C)(C)O 238415474 MMIFLGAOXMDYCG-RXMQYKEDSA-N 143.190 1.704 10 10 ADCE 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1.478 10 10 ADCE OCc1cc2scc(O)c2cc1O 306908739 FZFFVJCTMQFHSH-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE N[C@H](c1ccccc1O)[C@H](N)C1CC1 306916967 XOIWNDDSBWHZQQ-GHMZBOCLSA-N 192.262 1.129 10 10 ADCE [N-]=[N+]=NCC1=NOCCC1 721194584 SUKPMTXNVTZVLD-UHFFFAOYSA-N 140.146 1.463 10 10 ADCE [N-]=[N+]=N[C@H](CO)C(F)(F)F 1536148431 UBLYVNCSZANROJ-UWTATZPHSA-N 155.079 1.220 10 10 ADCE Nc1ccc(NCC2OCCO2)cc1 1880417279 WUNFUGYNTLSZQG-UHFFFAOYSA-N 194.234 1.054 10 10 ADCE CCN[C@H](C)CNc1ccc(N)cc1 1888922698 JOLUUOYOCWDZBF-SECBINFHSA-N 193.294 1.679 10 10 ADCE C[C@H]1CCN[C@@H]1CN=[N+]=[N-] 1912174611 BOQDSVCEDZZSCC-NTSWFWBYSA-N 140.190 1.295 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1nccnc1Cl 1951467493 ZOSOMOMUBNJDEM-BYPYZUCNSA-N 199.601 1.474 10 10 ADCE CNCCC=Cc1cc(O)nc(O)c1 1952133788 ABQYZLQPUTVWAT-UHFFFAOYSA-N 194.234 1.116 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@H](N)C2 1957243822 IBENFDLLVRETBD-YIZRAAEISA-N 195.270 1.108 10 10 ADCE COC(=O)C[C@@H](C)N=[N+]=[N-] 42391369 CUASBZHYQZLWLL-SCSAIBSYSA-N 143.146 1.248 10 10 ADCE Cc1ccc(C)c([C@@H](N)[C@H](C)O)c1O 95770602 MXQGVJQWLYVSSV-WPRPVWTQSA-N 195.262 1.390 10 10 ADCE CNCc1cc2c(cc1O)OCC2 107338458 BRROODYRKSVHDI-UHFFFAOYSA-N 179.219 1.047 10 10 ADCE CC1(C)CC[C@H](N=[N+]=[N-])[C@@H]1O 130777803 NBXHQOIXFTXZOC-WDSKDSINSA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NCCCC1OCCCO1 196420445 QUFRGIRJCAFZFX-UHFFFAOYSA-N 171.200 1.840 10 10 ADCE CC(C)[C@@H]1CCCC(=O)C(=O)C1 238794135 SLESYHGLJOMCKB-MRVPVSSYSA-N 168.236 1.971 10 10 ADCE COC1(C)CCN(CCN=[N+]=[N-])CC1 308555953 ZUYRUGQSKHPKMG-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE C[C@@H]1C[C@H](CO)CN(CCN=[N+]=[N-])C1 398866069 XRVZRFMDACGFHR-BDAKNGLRSA-N 198.270 1.247 10 10 ADCE C[C@H]1C[C@H](Nc2ccc(N)cc2)CO1 402093738 KMJJVLZWGDAQBR-KWQFWETISA-N 192.262 1.858 10 10 ADCE N=NNc1c#cnc(C2CC2)n1 885269173 DYQDNAAKFPEHAP-UHFFFAOYSA-N 161.168 1.312 10 10 ADCE Nc1ccc(NC[C@H]2CC[C@H]2O)cc1 1904728416 VGSXLYFAHFKJHJ-LDYMZIIASA-N 192.262 1.452 10 10 ADCE Cc1ncc(CN2CC(N=[N+]=[N-])C2)o1 1912170807 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[N-]=[N+]=NCCCCNC(=O)N1CCC1 1955637464 ZLCGFZALQKEZQT-UHFFFAOYSA-N 197.242 1.492 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]2NCC[C@H]21 1957243941 KASDCLXLEFRYIS-DTWKUNHWSA-N 195.270 1.123 10 10 ADCE CN(C)c1ccc(C=CCN)cc1 2041868171 MZJSWIGPHKFUEY-UHFFFAOYSA-N 176.263 1.725 10 10 ADCE C[C@@H](O)Cc1ccc(O)c(O)c1 6036806 DWGPKVSAWGQTPQ-ZCFIWIBFSA-N 168.192 1.021 10 10 ADCE CCNCc1cc(OC)ccc1O 20084630 VVWAZPCPMPMXDF-UHFFFAOYSA-N 181.235 1.510 10 10 ADCE Cc1nc(C)n(-c2ccc(N)cc2)n1 41062623 GJUIITJXPDKBNA-UHFFFAOYSA-N 188.234 1.466 10 10 ADCE OCCSc1ccc(O)c(O)c1 196490986 AGUIVAHMCOCKJH-UHFFFAOYSA-N 186.232 1.182 10 10 ADCE Cc1ccc(F)c(O)c1CN 211958299 KWRFOUOAYOMIHQ-UHFFFAOYSA-N 155.172 1.298 10 10 ADCE CCNc1cc(O)c(O)cc1C 238251935 QCKSHCGIGULQLK-UHFFFAOYSA-N 167.208 1.838 10 10 ADCE CSc1ccc2c(c1O)[C@@H](N)CO2 238380194 NRAZXZJRVPLVMU-YFKPBYRVSA-N 197.259 1.506 10 10 ADCE Cc1cc(O)c([C@@H]2CCN2)cc1F 238489040 BBMJPNYJIPQXJE-VIFPVBQESA-N 181.210 1.874 10 10 ADCE Oc1cc(OC(F)(F)F)cc(O)n1 238707562 AHNHHBSCPORJKK-UHFFFAOYSA-N 195.096 1.391 10 10 ADCE COc1ccc(O)c(C2(N)CCC2)c1 258214182 ZPRPJONBCXMARQ-UHFFFAOYSA-N 193.246 1.739 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC2(CO1)CC(=O)C2 536958713 UAFVPEHCAANFJL-ZETCQYMHSA-N 181.195 1.435 10 10 ADCE CC[C@H]1COC[C@H]1N(C)CCN=[N+]=[N-] 688213918 NQISAMVRWRQDJO-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE C[C@@H](CF)NCc1cccc(O)c1O 702575925 YUCRDMKLURYXCO-ZETCQYMHSA-N 199.225 1.545 10 10 ADCE COCC[C@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912165874 PULKILFMIODNKC-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC[C@@H](C)NC(=O)N1CC(N=[N+]=[N-])C1 1912170251 UWWHTZIAVHBRFG-ZCFIWIBFSA-N 197.242 1.489 10 10 ADCE CNC1(c2c(O)cccc2OC)CC1 1952385287 PADSTLRNOAJIBJ-UHFFFAOYSA-N 193.246 1.609 10 10 ADCE CN[C@H](CF)c1cccc(F)c1O 1952585714 FATSSKIWCCFOSX-MRVPVSSYSA-N 187.189 1.761 10 10 ADCE CC1(C)C[C@H](N)CN1CCN=[N+]=[N-] 1954208965 WNTKPFAPDQBKGT-ZETCQYMHSA-N 183.259 1.108 10 10 ADCE [N-]=[N+]=NC1CN([C@H]2CCC[C@@H]2F)C1 1954291203 NAPULHMNOJIYBZ-YUMQZZPRSA-N 184.218 1.872 10 10 ADCE C[C@H]1CNC[C@@H](C)N(CCN=[N+]=[N-])C1 1957243871 IUEBVRBMRFZQAD-DTWKUNHWSA-N 197.286 1.227 10 10 ADCE OCCC[C@H]1CNc2ccccc2N1 2209642191 HVKWRQNQKPWYOK-VIFPVBQESA-N 192.262 1.665 10 10 ADCE [N-]=[N+]=NCCCn1cccc(F)c1=O 2241637786 ZAZVCYJIZHXQON-UHFFFAOYSA-N 196.185 1.688 10 10 ADCE C[C@@H](c1ccccc1O)N(C)C(N)=O 38089796 WAGRYTLHHKCSQI-ZETCQYMHSA-N 194.234 1.464 10 10 ADCE C[C@H]1C[C@@H]1NCc1cccc(O)c1O 52275163 YTKFHQVGWXMFDL-CBAPKCEASA-N 193.246 1.596 10 10 ADCE [N-]=[N+]=CC(=O)c1ccccc1F 78634555 GXLIAZBYQARRTI-UHFFFAOYSA-N 164.139 1.309 10 10 ADCE CN[C@H](C)CSc1nccs1 81889385 NFFWWSPFHCMDJG-ZCFIWIBFSA-N 188.321 1.843 10 10 ADCE COC[C@H](N)c1cccc(F)c1O 104491199 ZFIVMPZIRFAJEV-QMMMGPOBSA-N 185.198 1.178 10 10 ADCE CC/C(C)=C1/SC(N)=NC1=O 238210245 VTQIDDGCERNYJR-SNAWJCMRSA-N 170.237 1.259 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@H]1COC(=O)N1 238252718 KXEFIWXEVFOJOS-NTSWFWBYSA-N 184.199 1.574 10 10 ADCE C[C@@H](N)c1cc(O)c(O)c(F)c1 257977425 JEWOBDGRUGWHFX-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE Cc1ccc(CC2(N)CC2)c(O)c1O 258006178 GYNNZLITXVYFHR-UHFFFAOYSA-N 193.246 1.440 10 10 ADCE CCOC(=O)c1csc(C)c1O 260249170 SOMQFIXRMIRAKA-UHFFFAOYSA-N 186.232 1.939 10 10 ADCE CCN1C[C@@H](CN=[N+]=[N-])OC1=O 687828127 MWTQNYPUOJHWEY-RXMQYKEDSA-N 170.172 1.137 10 10 ADCE Cc1cc([C@@H](CO)N=[N+]=[N-])nn1C 1535690073 DBLPUZRQISQJQD-SSDOTTSWSA-N 181.199 1.072 10 10 ADCE C[C@H](N)[C@@H](C)Nc1c(N)cccc1F 1888913206 ZGJNJXYLQDGOJG-NKWVEPMBSA-N 197.257 1.556 10 10 ADCE C[C@@H]1[C@H](O)CCN1CCCN=[N+]=[N-] 1912161066 DWXCHJOBXNEEDB-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CC(F)(F)F)C1 1912184870 JBSACLCWIRBLCV-YFKPBYRVSA-N 194.160 1.933 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H](C)C(C)(C)C 1929234176 OADMHWUNWJUNBD-POYBYMJQSA-N 186.251 1.188 10 10 ADCE COc1ncc(CN=[N+]=[N-])c(OC)n1 1951598617 NKBFIJCPXGFRCB-UHFFFAOYSA-N 195.182 1.304 10 10 ADCE Oc1ccc([C@H]2NCC[C@@H]2F)c(O)c1 1952792178 GGFPUKIRKOVGEW-WCBMZHEXSA-N 197.209 1.470 10 10 ADCE COCc1nc(CN=[N+]=[N-])no1 1953673869 FTMZOPWBOWMSGW-UHFFFAOYSA-N 169.144 1.026 10 10 ADCE Nc1c(C(F)(F)F)cc(O)nc1O 2065383320 XBVKUWIQGNDUME-UHFFFAOYSA-N 194.112 1.094 10 10 ADCE NCc1sc(C(F)F)cc1O 2080419521 JQEREOFLACNUSG-UHFFFAOYSA-N 179.191 1.850 10 10 ADCE CC1(C)O[C@H]1CN=[N+]=[N-] 39132240 LVJWNVXVUHQCPV-BYPYZUCNSA-N 127.147 1.474 10 10 ADCE [N-]=[N+]=NCCN1CCCOCC1 61932338 XWNAKFXBUOFYSB-UHFFFAOYSA-N 170.216 1.019 10 10 ADCE Cc1c(F)ccc([C@@H](N)CCO)c1O 95770074 OOLPJRAWVFTUGZ-VIFPVBQESA-N 199.225 1.222 10 10 ADCE O=C1C(=O)[C@H]2C=C[C@H]1C21CCCC1 104926268 ODQAMUUQIOTZIR-HTQZYQBOSA-N 176.215 1.501 10 10 ADCE C[C@@H](N=[N+]=[N-])c1ncc(F)cn1 198273407 FCQLDHXQMAITRW-SCSAIBSYSA-N 167.147 1.987 10 10 ADCE NCc1c(F)ccc(Cl)c1O 212642888 ZWIKUUZFGYPQHG-UHFFFAOYSA-N 175.590 1.643 10 10 ADCE CCC[C@H]1C(=O)C(=O)C[C@H]1C 225645965 AHRBFSYXZDKLKN-RNFRBKRXSA-N 154.209 1.581 10 10 ADCE COc1ccc(O)c2c1CCC[C@H]2N 238381502 CYEQKLYYWHJSIN-MRVPVSSYSA-N 193.246 1.737 10 10 ADCE C[C@H](CC(C)(C)O)N=[N+]=[N-] 238453506 VINFIDPEADJFTB-RXMQYKEDSA-N 143.190 1.846 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H](CO)C1 238655389 FRTZPSBHMHTGMX-WDSKDSINSA-N 139.158 1.234 10 10 ADCE Oc1ccc(O)c([C@H]2CCCN2)c1 238728191 WXNTXIVUHNSXSK-SECBINFHSA-N 179.219 1.522 10 10 ADCE C[C@@H]1C[C@@H]1NC(=O)c1cc(O)cs1 306277408 HONXCFHHVXCEFX-VDTYLAMSSA-N 197.259 1.592 10 10 ADCE COC[C@@H]1CC[C@H](N=[N+]=[N-])C[C@@H]1O 1882579517 QUKOYZAVDQSFFR-FXQIFTODSA-N 185.227 1.473 10 10 ADCE CO[C@H]1CN(CCN=[N+]=[N-])CC12CC2 1912172170 CFBUTXFPAVCZAQ-QMMMGPOBSA-N 196.254 1.408 10 10 ADCE CCS(=O)(CC)=NCCN=[N+]=[N-] 1912203131 BOLGVMYHYCVKOE-UHFFFAOYSA-N 190.272 1.805 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@H](C)C(C)(C)C 1929234178 OADMHWUNWJUNBD-XPUUQOCRSA-N 186.251 1.188 10 10 ADCE CC(=S)C=C1CCCN1 1933274332 BEHAPUCAMINSEI-UHFFFAOYSA-N 141.239 1.644 10 10 ADCE Nc1ccc(CC=CC(=O)O)cc1 1951353046 JYJBNEYCLJXWSG-UHFFFAOYSA-N 177.203 1.452 10 10 ADCE COc1ccncc1[C@@H](CO)N=[N+]=[N-] 1951438571 MOLAUBPKDFQERE-SSDOTTSWSA-N 194.194 1.434 10 10 ADCE CN(C)c1ccc(CC=CCO)cc1 1951584161 DVJVIGZOIWPAFR-UHFFFAOYSA-N 191.274 1.844 10 10 ADCE CN1CCN(CCCN=[N+]=[N-])[C@@H]2C[C@H]21 1956636131 GWJHEFMNXBTLRY-RKDXNWHRSA-N 195.270 1.075 10 10 ADCE CC(C)[C@H](C)NC(=O)NCCN=[N+]=[N-] 1964269015 QNGBQRTYDQXSCE-ZETCQYMHSA-N 199.258 1.640 10 10 ADCE CCN(CC)C(=O)[n+]1ccccc1C 6416105 XCRULJCLGABKHA-UHFFFAOYSA-N 193.270 1.592 10 10 ADCE CO[C@H](N=[N+]=[N-])C(C)C 34200043 NXKOHYZETILOGE-YFKPBYRVSA-N 129.163 1.925 10 10 ADCE Cc1cnn(CCCN=[N+]=[N-])c1 42416133 SDGIOUXQJRJYIN-UHFFFAOYSA-N 165.200 1.892 10 10 ADCE CCc1cccc([C@@H]2CCN2)c1O 95785287 MGDSWTNAVPZIEN-JTQLQIEISA-N 177.247 1.989 10 10 ADCE C[C@H](O)c1ccc(O)c(O)c1F 222574028 CTFJIWCHZJTGSD-BYPYZUCNSA-N 172.155 1.290 10 10 ADCE CCOC(=O)c1c(C)ccc(O)c1O 238298989 PFFLVPQBBQQQET-UHFFFAOYSA-N 196.202 1.583 10 10 ADCE CO[C@@H](c1ccc(O)c(O)c1)[C@H](C)N 238335810 MERTWYJVRRDIDS-QUBYGPBYSA-N 197.234 1.133 10 10 ADCE [N-]=[N+]=N/C=C1\C(=O)O[C@@H]2CCC[C@H]12 238594391 VKKGMXMKXGONJM-NRMOTYEGSA-N 179.179 1.906 10 10 ADCE CC1(C)CCN(CCCN=[N+]=[N-])C1=O 389299667 LOYIUPLGNDZSAO-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE [N-]=[N+]=NC[C@H]1CC2(CCOCC2)CO1 536958651 RLFURLYVIHNXQP-MRVPVSSYSA-N 197.238 1.882 10 10 ADCE CO[C@H]1CC[C@@H](N(C)CCN=[N+]=[N-])C1 1887011853 RAXIBSRHOGKIIH-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCCCN1CC(CCN)C1 1897111269 JDFDIZKMIYOUHD-UHFFFAOYSA-N 197.286 1.358 10 10 ADCE C[C@@H](O)CN1CCC(N=[N+]=[N-])CC1 1912150182 PVSLECXTYORAPD-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE CCC[C@H](C(=O)O)N1CC(N=[N+]=[N-])C1 1912154360 HJYDWRBXAKJLAC-SSDOTTSWSA-N 198.226 1.234 10 10 ADCE C[C@H]1C[C@H]1CN1CC(N=[N+]=[N-])C1 1912159314 GNSSPKHPVJYPHB-BQBZGAKWSA-N 166.228 1.637 10 10 ADCE CC(C)N(C)CCN1CC(N=[N+]=[N-])C1 1912180103 WBMXCWRXFTZPOJ-UHFFFAOYSA-N 197.286 1.321 10 10 ADCE CN(C)[C@@]1(C)CCN(CCN=[N+]=[N-])C1 1912204087 INDYJNUAKZBEMA-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CC(=O)C(=O)c1ccoc1C 1951322341 CLRCJTREHVUUSY-UHFFFAOYSA-N 152.149 1.360 10 10 ADCE CCNCc1cccc(OCC)c1O 19434204 ZOPCLKXCVQHZBB-UHFFFAOYSA-N 195.262 1.900 10 10 ADCE Nc1c(O)c(O)cc2c1CCCCC2 213697944 WENMKIWAAOVTHE-UHFFFAOYSA-N 193.246 1.949 10 10 ADCE N[C@@H]1CCOc2cc(F)cc(O)c21 238620011 AFSFHCDELUDGNG-ZCFIWIBFSA-N 183.182 1.314 10 10 ADCE C/C=C(\N=[N+]=[N-])C(=O)OC 306478254 BIBDJLUMKCIVTO-ARJAWSKDSA-N 141.130 1.374 10 10 ADCE CC(C)(C)/[N+](O)=[N+](\O)C(C)(C)C 575362684 BTXIACWBSVPFQO-MDZDMXLPSA-N 176.260 1.839 10 10 ADCE C[C@@H]1C[C@H]1[C@@H](O)CN=[N+]=[N-] 1880125003 FBPAQLOTYPTDAW-PBXRRBTRSA-N 141.174 1.314 10 10 ADCE Cc1cccc2c1NC(=O)C2=CO 1911600422 ROXQDJWBDVDQKT-UHFFFAOYSA-N 175.187 1.846 10 10 ADCE C[C@H]1CCO[C@@H]1CN1CC(N=[N+]=[N-])C1 1912149569 IEZNWFXCOVQJPN-IONNQARKSA-N 196.254 1.406 10 10 ADCE CC(=O)C(=O)C1(O)C[C@H](C)C[C@@H](C)C1 1929141760 SCDTWPNDYKUGKV-HTQZYQBOSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@H]1[C@@H](N)C2 1957243821 IBENFDLLVRETBD-CIUDSAMLSA-N 195.270 1.108 10 10 ADCE C[C@@H]1CCN1C(=O)N(C)CCN=[N+]=[N-] 2241326028 PQQPZSIHMPESPT-SSDOTTSWSA-N 197.242 1.443 10 10 ADCE CCCC(=O)C(=O)CC 5509366 LBCCPKFTHIBIKU-UHFFFAOYSA-N 128.171 1.335 10 10 ADCE endogenous,in-man Cc1cc(C)c(O)nc1O 14628548 UCKKUYIORVEQDG-UHFFFAOYSA-N 139.154 1.110 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1ccccn1 15785174 MGORLNBYCOFNQR-UHFFFAOYSA-N 184.180 1.081 10 10 ADCE [N-]=[N+]=CC(=O)C1CCCCC1 84426691 HZAIVGMHCGTTSB-UHFFFAOYSA-N 152.197 1.436 10 10 ADCE C[C@@H](CN(C)C)Nc1ccc(N)cc1 116321854 PITJZCFQWFIZDJ-VIFPVBQESA-N 193.294 1.631 10 10 ADCE C[C@H](CN=[N+]=[N-])N=[N+]=[N-] 141629347 ZGBMFLPUYNBNPA-GSVOUGTGSA-N 126.123 1.996 10 10 ADCE CN1CCC[C@H](CN=[N+]=[N-])C1 197878365 RTXVDASMBASYPA-SSDOTTSWSA-N 154.217 1.639 10 10 ADCE CC(=O)O[C@@H]1CCC[C@@H]1N=[N+]=[N-] 212378561 GFVZBYQQTGIDPH-NKWVEPMBSA-N 169.184 1.781 10 10 ADCE C[C@H](NC1CC1)c1c(O)cccc1O 235522450 ZVQFFEFXGJCLRL-ZETCQYMHSA-N 193.246 1.911 10 10 ADCE CC(C)(C)O[S@@](O)=C1COC1 238119012 VMFQNRWASCEKIU-LLVKDONJSA-N 178.253 1.661 10 10 ADCE CCC1(CC)CC(=O)C(=O)C1 238224018 CKOSVXAUNRFWEP-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE CC[C@@H](N)c1cc(O)c(OC)cc1O 238276207 IFUGFZZOEFLTNL-SSDOTTSWSA-N 197.234 1.516 10 10 ADCE CC[C@H](N)c1cc(C)cc(N)c1O 238311353 WQXVIBAEUAZOMB-QMMMGPOBSA-N 180.251 1.693 10 10 ADCE COC[C@H]1O[C@H](N=[N+]=[N-])C=C[C@@H]1OC 238386704 HMFDSXAIWGSYPI-RNJXMRFFSA-N 199.210 1.239 10 10 ADCE Cc1c(O)c(O)cc2c1C(=O)[C@H](C)C2 238405335 WHYPMXHAWXGYPO-RXMQYKEDSA-N 192.214 1.781 10 10 ADCE C[C@@](N)(CCO)c1c(O)cccc1F 238429815 QAHDBORGCWZGBB-SNVBAGLBSA-N 199.225 1.088 10 10 ADCE CC(=O)O[C@@H]1CC[C@@H](N=[N+]=[N-])[C@H]1F 306447031 CRSXLTWPCXRIMY-FSDSQADBSA-N 187.174 1.729 10 10 ADCE CC(C)[C@]12C[C@@H]1[C@H](C)C(=O)C2=O 307628989 MVFVKILPOBAESJ-NYNCVSEMSA-N 166.220 1.437 10 10 ADCE CC(C)[C@@H](O)Cc1ccc(N)cc1 696517847 UPLXVBNYKRKYCG-NSHDSACASA-N 179.263 1.828 10 10 ADCE CCOC(=O)C=CN=[N+]=[N-] 1912000415 TVHAQPLDXOTSQI-UHFFFAOYSA-N 141.130 1.374 10 10 ADCE C[C@@H]1CN(CCCCN=[N+]=[N-])CCO1 1912179817 XRDLIUSZTZXHHM-SECBINFHSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@H]2CCOC[C@H]21 1912183125 LKVHUJPJDRQGBD-FSDSQADBSA-N 153.185 1.579 10 10 ADCE N[C@@H](c1c(O)cccc1F)C(F)F 1952410485 KFXHUJDEIXRXDV-ZETCQYMHSA-N 191.152 1.796 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@H]2C1=O 1956808443 ZAMHVYLPPHWOOJ-HTQZYQBOSA-N 194.238 1.555 10 10 ADCE Cc1nn(C)c(C)c1/[N+]([O-])=N/C#N 71341067 XSUYKIBWCDGVCC-XFXZXTDPSA-N 179.183 1.112 10 10 ADCE CN[C@@H](C)c1ccc(O)c(O)c1 84331141 JQJOQJPIUSJVTL-LURJTMIESA-N 167.208 1.378 10 10 ADCE C[C@H]1/C(=C\O)C(=O)O[C@@H]1C 100208760 NUSZIUPLMHUMPN-ZMQDASAVSA-N 142.154 1.010 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@H]2CC[C@H]1C2 136609885 GVQQXLOGRPXOHT-YUMQZZPRSA-N 194.238 1.698 10 10 ADCE [N-]=[N+]=NCCC(=O)c1ncc[nH]1 166506301 RYEVZOPYZSTEQL-UHFFFAOYSA-N 165.156 1.293 10 10 ADCE C[C@H]1c2c(O)cccc2CCN1C 196216582 ZSOSVHQLRCGLFH-QMMMGPOBSA-N 177.247 1.941 10 10 ADCE C[C@@H]1Oc2ccc(N(C)C)cc2[C@H]1O 209217460 QQPCHXYMYFEMPN-CPCISQLKSA-N 193.246 1.567 10 10 ADCE C[C@@H]1C[C@H](N)CC[C@H]1N=[N+]=[N-] 218774868 SXAROBOMAKRPPS-FSDSQADBSA-N 154.217 1.813 10 10 ADCE CC(=O)O[C@@H]1CC[C@@H](N=[N+]=[N-])CO1 238064535 JIIJQYNGHRBVQL-RNFRBKRXSA-N 185.183 1.365 10 10 ADCE C[C@@H]1C[C@@H](C(=O)N(C)C)C[C@@H]1N=[N+]=[N-] 238415742 JLZLTGCMCKYQGH-PRJMDXOYSA-N 196.254 1.800 10 10 ADCE C[C@@H](O)[C@H](N)c1cccc(S)c1O 238458494 LIVCFNNLIDGWJX-XRGYYRRGSA-N 199.275 1.062 10 10 ADCE C[C@@H](N)C1(c2ccc(O)c(O)c2)CC1 258176402 WDVUFGLHKKRLEC-SSDOTTSWSA-N 193.246 1.477 10 10 ADCE Nc1ccc(NC2=NCCOC2)cc1 259774407 PYXPYPRWMAZHSO-UHFFFAOYSA-N 191.234 1.109 10 10 ADCE CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1 306363650 YVXFQBZLJNHTHS-PHDIDXHHSA-N 140.190 1.437 10 10 ADCE C/C(N=[N+]=[N-])=C(/C)C(=O)O 307097498 FIQHEQLLSYONBC-ONEGZZNKSA-N 141.130 1.675 10 10 ADCE Nc1csc2c(O)c(O)ccc12 307209073 KXOOXXNXLJMIEH-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE Cc1ccc2c(c1O)[C@@H](N)CO2 713760339 OURIBWMPVOIYLJ-LURJTMIESA-N 165.192 1.093 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCCC[C@H]1C 1929213331 DYDGNSXKMQPTAH-LDYMZIIASA-N 198.262 1.476 10 10 ADCE C[C@H]1C[C@H](CO)CN1CCCN=[N+]=[N-] 1934981613 RSVDJMICVDMLTK-IUCAKERBSA-N 198.270 1.390 10 10 ADCE C[C@@H]1C[C@]1(N)c1cc(F)cc(F)c1O 1952064407 MCCFFHHQCJTUFR-GPXNAGAYSA-N 199.200 1.864 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@H](C1)N2 1957249365 JQLLHDSNXQTEHQ-DTORHVGOSA-N 195.270 1.123 10 10 ADCE [N-]=[N+]=NC[C@H](N)Cc1ccccc1 34369758 PEXYWNARVQJCTP-SECBINFHSA-N 176.223 1.867 10 10 ADCE C[C@@H](O)CCNc1ccc(N)cc1 82991250 DKQHRUFOTMNTAS-MRVPVSSYSA-N 180.251 1.452 10 10 ADCE N[C@H]1CCCN[C@@H]1c1ccccc1O 84353055 OTWQTAVXOCNPRC-GXSJLCMTSA-N 192.262 1.144 10 10 ADCE C[C@@H](N)CCCc1ccc(N)cc1 107534617 KPLIRVLKFFBOHY-SECBINFHSA-N 178.279 1.939 10 10 ADCE CCCCN=[N+]=N 138268583 RDFAVVCNBWZBJU-UHFFFAOYSA-N 100.145 1.337 10 10 ADCE CN[C@H](C)c1cc(CCN)ccc1O 238330333 UEONHOZDRCBGRT-MRVPVSSYSA-N 194.278 1.174 10 10 ADCE [N-]=[N+]=NCc1ncc[nH]1 307352419 LSVKTELZGPRGIJ-UHFFFAOYSA-N 123.119 1.220 10 10 ADCE CCCO[C@@H]1CCN(CCN=[N+]=[N-])C1 701663068 LLRMFNRDGAFHSP-SECBINFHSA-N 198.270 1.798 10 10 ADCE CN(C)c1ccc(/C=C\CON)cc1 714522112 NUZQNPJFDWDBLE-ARJAWSKDSA-N 192.262 1.656 10 10 ADCE CC[C@@H]1CN[C@@H](CN=[N+]=[N-])O1 885255085 ASDZIAISPHWNMF-PHDIDXHHSA-N 156.189 1.021 10 10 ADCE C[C@@H]1OCC[C@H]1[C@@H](CO)N=[N+]=[N-] 1535811132 QGOHVENBEIASIU-RRKCRQDMSA-N 171.200 1.083 10 10 ADCE CN[C@@H](C)CNc1ccc(N)cc1 1883134571 SQNMZNDNGNCCOQ-QMMMGPOBSA-N 179.267 1.289 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1[C@@H]1CCOC1 1885287050 NZXAAHVLKTUSCU-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE Oc1c(F)cccc1CN[C@H]1C[C@@H]1F 1887535941 GVUXZAIQGUQAIH-IUCAKERBSA-N 199.200 1.731 10 10 ADCE C[C@H](CN)CCOc1ccc(N)cc1 1896285418 RSGULJVPIPVCKL-VIFPVBQESA-N 194.278 1.633 10 10 ADCE CC(=O)C(=O)[C@H](O)C1(C(C)C)CCC1 1929247675 XXMWDHAOMWAKAD-JTQLQIEISA-N 198.262 1.332 10 10 ADCE COC1([C@H](N)c2ccccc2O)CC1 1933865978 GUHIEKWIERYPKJ-SNVBAGLBSA-N 193.246 1.571 10 10 ADCE C[C@@H]1[C@H](N)CCN1CCCCN=[N+]=[N-] 1957251230 ZMTZVCKRZJASDD-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE CNCc1c(O)cc(C)cc1F 2241511859 SPMYCZNQHGSTJG-UHFFFAOYSA-N 169.199 1.559 10 10 ADCE CCCCS(=O)(=O)CCN=[N+]=[N-] 42416542 GUQLLQHLSDFAOA-UHFFFAOYSA-N 191.256 1.512 10 10 ADCE CCc1ccc([C@H](C)N)c(O)c1 95770655 XMNNSWOTDXRVSP-ZETCQYMHSA-N 165.236 1.974 10 10 ADCE Oc1csc(O)c1 104677646 UHANLZCJTIDVLY-UHFFFAOYSA-N 116.141 1.159 10 10 ADCE C[C@@H](N=[N+]=[N-])C(=O)NC1CCCC1 104701608 NPKNUIHPIQDOKL-ZCFIWIBFSA-N 182.227 1.744 10 10 ADCE N[C@@H](CF)c1ccc(O)c(O)c1 107123076 VYAFUTXRUPUVPL-LURJTMIESA-N 171.171 1.067 10 10 ADCE C[C@@H](NO)c1ccc(N(C)C)cc1 132042348 FXOSFVGLACUQMU-MRVPVSSYSA-N 180.251 1.792 10 10 ADCE Nc1ccc([C@H]2CCCN2)c(O)c1 199385774 WQSDONOWXVNCSH-SECBINFHSA-N 178.235 1.399 10 10 ADCE Nc1cnc(SC2COC2)s1 226768925 FUSFJCYYQPZCSP-UHFFFAOYSA-N 188.277 1.216 10 10 ADCE Cc1cc(O)c([C@@H](N)[C@H](C)O)cc1F 238488327 GFGUONWHLPBQKX-WKEGUHRASA-N 199.225 1.220 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H](C(=O)O)C1 238671025 ANXTZBKYJPLOTP-CRCLSJGQSA-N 153.141 1.326 10 10 ADCE Nc1ccc(N2CCCC(=O)C2)cc1 259810397 SOEKJKIBFYYRAM-UHFFFAOYSA-N 190.246 1.438 10 10 ADCE 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194.238 1.554 10 10 ADCE CN(CCN=[N+]=[N-])C1CCOCC1 42415977 KPLQXJSTZLISAM-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE Oc1c([C@H]2CCN2)ccc2c1OCO2 95784579 CXRIJHHAKGBYIL-SSDOTTSWSA-N 193.202 1.155 10 10 ADCE Cn1ccnc1CCN=[N+]=[N-] 126228253 QIFBOPZSUWTIKR-UHFFFAOYSA-N 151.173 1.273 10 10 ADCE CC[C@@H](C)[C@H](O)CN=[N+]=[N-] 130768250 DJWASGIXQNXQAH-PHDIDXHHSA-N 143.190 1.704 10 10 ADCE C=C=CCN=[N+]=[N-] 143654026 MXEMMQMHLIOURU-UHFFFAOYSA-N 95.105 1.638 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@H](C(=O)O)C1 167317057 ZKWIDUTVLWDRFG-RITPCOANSA-N 169.184 1.798 10 10 ADCE O=C1C(=O)C2CCCC1CCC2 196722144 JEIDIMWVVVSPBU-UHFFFAOYSA-N 166.220 1.725 10 10 ADCE C[C@H](N)c1sc2ccn(C)c2c1O 211495601 OHQBKIIRWFUXIO-YFKPBYRVSA-N 196.275 1.965 10 10 ADCE Nc1cccc([C@H]2CCCCN2)c1O 238633985 IPMRKEBKJWUSML-SNVBAGLBSA-N 192.262 1.789 10 10 ADCE Cc1cccc([C@@H](N)[C@@H](C)N)c1O 306882054 INRRMRASWQUXQO-APPZFPTMSA-N 180.251 1.048 10 10 ADCE O=C(O)c1scc([N+](=O)[O-])c1O 307425788 PPQCJDKRTUVHAV-UHFFFAOYSA-N 189.148 1.060 10 10 ADCE C[C@H]1COC[C@@H](CN=[N+]=[N-])O1 958692227 SJXYNUKKLRXJPG-NTSWFWBYSA-N 157.173 1.101 10 10 ADCE C[C@H](Oc1ccc(N)cc1)[C@@H]1C[C@@H]1N 1877581706 XYMAVHWRHOKMON-SWPVVBRQSA-N 192.262 1.383 10 10 ADCE CCC[C@@H](CN)Oc1ccc(N)cc1 1896268778 MDBSZZBYNHMQJY-NSHDSACASA-N 194.278 1.775 10 10 ADCE CO[C@@H]1CN(CCN=[N+]=[N-])CC1(C)C 1912146401 RMBWGJPZWIQUII-MRVPVSSYSA-N 198.270 1.654 10 10 ADCE CC=CCNCc1ccc(O)c(O)c1 1927736245 CLMLJQQEMFWUAJ-UHFFFAOYSA-N 193.246 1.764 10 10 ADCE CCO[C@H](C)[C@H](N)c1ccccc1O 1928472071 NBWLIVSJQLOPGQ-KCJUWKMLSA-N 195.262 1.817 10 10 ADCE O=C(Cc1ccc(O)c(O)c1)C1CC1 1951388204 HMGORWOPKIMOQS-UHFFFAOYSA-N 192.214 1.619 10 10 ADCE COc1cc(CCN=[N+]=[N-])cc(O)n1 1951640103 SBXRGLAMPADFMK-UHFFFAOYSA-N 194.194 1.649 10 10 ADCE CC(=O)C(=O)c1c(F)cncc1F 1952212464 GMSUUPOPNUQUDQ-UHFFFAOYSA-N 185.129 1.132 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@@]2(F)C1 2209368316 XOEZZYYKWSNYEU-JGVFFNPUSA-N 184.218 1.731 10 10 ADCE Cc1ncc([C@@H](O)CN=[N+]=[N-])s1 2241638236 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C[C@H](N)[C@@H](N=[N+]=[N-])C(F)(F)F 1953325277 LBVYIERIZYTNBB-STHAYSLISA-N 168.122 1.575 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H]1C[C@H]2CC[C@@H]1O2 1954796946 IVUPDVDMQUGTGA-KVPKETBZSA-N 183.211 1.225 10 10 ADCE CCC(CC)C(=O)[C@@H]1CCC(=O)C1=O 1956258565 NCVNPDBNLIAVGM-QMMMGPOBSA-N 196.246 1.540 10 10 ADCE CN(CCN=[N+]=[N-])[C@H](CO)CC1CC1 2209567429 HXVXYPVYUQHLLV-VIFPVBQESA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NCNC(=O)c1ccccc1 39139448 MWVRFSVUIVYZKD-UHFFFAOYSA-N 176.179 1.684 10 10 ADCE [N-]=[N+]=NCCN1CCO[C@H]2CCC[C@@H]21 43427191 KRIJMTCCUFIJJQ-IUCAKERBSA-N 196.254 1.550 10 10 ADCE C[C@@H]1NCCc2cccc(O)c21 83659490 CZYLNIBOLRJVSQ-ZETCQYMHSA-N 163.220 1.599 10 10 ADCE CO[C@@H](CCN)c1ccc(O)c(O)c1 107187501 VDKQYDUIZLZWIN-JTQLQIEISA-N 197.234 1.134 10 10 ADCE C[C@@H](CN)c1cccc(O)c1O 114275520 SUQTUQIJLDLCFV-LURJTMIESA-N 167.208 1.160 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccc(O)c(O)c1 130731978 SMTHBLYIAYTTHN-UHFFFAOYSA-N 193.162 1.591 10 10 ADCE Cc1cc(C(=O)O)c(C)c(O)c1O 139213363 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183.259 1.108 10 10 ADCE Oc1ccc(C2=CCNCC2)cc1O 13511258 AKKRSTJTLDPQNP-UHFFFAOYSA-N 191.230 1.475 10 10 ADCE CC[C@@H](CN)Sc1nccs1 43542596 CRESVROBIQGXBC-LURJTMIESA-N 188.321 1.973 10 10 ADCE c1ccc2c(c1)NC[C@H]1COC[C@H]1N2 87262780 IBVVHEMVEPEJJH-GZMMTYOYSA-N 190.246 1.539 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCC[C@H]1O 130784079 MDHZOEFSYGCRDP-RNFRBKRXSA-N 155.201 1.848 10 10 ADCE [N-]=[N+]=NCC(=O)[C@H](O)c1ccccc1 136355194 KPKLUSJNRWUGTE-SECBINFHSA-N 191.190 1.599 10 10 ADCE COC[C@@H](C)CN=[N+]=[N-] 148787190 OGHUAPXTKMOKTA-YFKPBYRVSA-N 129.163 1.579 10 10 ADCE CC(C)(O)CC[C@@H](O)CN=[N+]=[N-] 214707471 WCAYMBMLCRYGSG-ZCFIWIBFSA-N 173.216 1.209 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1cncc(F)c1 236526045 QHLRFAIFVGPIOY-ZETCQYMHSA-N 182.158 1.564 10 10 ADCE CC[C@@H](N)c1cc(C)cc(O)c1O 238271949 SGUVCBUCZUMCPD-MRVPVSSYSA-N 181.235 1.816 10 10 ADCE Oc1ccc2c(c1O)C=NCC2 238730215 CFQMZQJJLZZRTR-UHFFFAOYSA-N 163.176 1.073 10 10 ADCE CCC[S@](=O)Nc1ccc(N)cc1 307600975 RRLFDJVACDSOJD-ZDUSSCGKSA-N 198.291 1.754 10 10 ADCE [N-]=[N+]=NC[C@H]1NCCc2ccoc21 575467622 ZKVKHSJJHQVVIZ-SSDOTTSWSA-N 178.195 1.777 10 10 ADCE C[C@]1(CO)CCCN1CCN=[N+]=[N-] 723023644 XRCBBWCPCSOFBZ-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE CC1(C)[C@@H](N)[C@H]1c1ccc(O)c(O)c1 1535866883 APBWBWSMPFSTNP-ZJUUUORDSA-N 193.246 1.549 10 10 ADCE [N-]=[N+]=NCCCO[C@@H]1CCNC1 1881659262 WWRYBCHYGYJHGW-SSDOTTSWSA-N 170.216 1.065 10 10 ADCE [N-]=[N+]=NCCNC(=O)N1CC=CCC1 1885134192 FMPOZWNZOOLYGD-UHFFFAOYSA-N 195.226 1.268 10 10 ADCE CCn1ccnc1C=CC[C@H](C)N 1886497942 LCQKPHRDCHBGMO-VIFPVBQESA-N 179.267 1.654 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC[C@H]1C1CCC1 1889013250 MQPRXXAWVIARMI-GXSJLCMTSA-N 196.246 1.086 10 10 ADCE CC(=O)C(=O)[C@H]1CCc2ccccc21 1951988358 YOJKLMJMJPHOMO-NSHDSACASA-N 188.226 1.875 10 10 ADCE NC1(c2c(O)cccc2[N+](=O)[O-])CC1 1952154601 BTFRYTVSKLWPLP-UHFFFAOYSA-N 194.190 1.248 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC[C@H]2C[C@H]21 1955196259 FSAHMLJYGUDVGR-XLPZGREQSA-N 194.238 1.459 10 10 ADCE NCc1ccc(N2CC=C(F)C2)cc1 1956231650 PLXFMTOVALDWJB-UHFFFAOYSA-N 192.237 1.819 10 10 ADCE Cc1cc(O)c(Cl)c(O)c1O 13386356 WVEZREQTDMAFNF-UHFFFAOYSA-N 174.583 1.765 10 10 ADCE CC(C)CN(C)CCN=[N+]=[N-] 42415901 SJPRQRCPJVIXDZ-UHFFFAOYSA-N 156.233 1.885 10 10 ADCE COC(=O)C1(N=[N+]=[N-])CCC1 196315323 DDOHBZLSUJPVAN-UHFFFAOYSA-N 155.157 1.392 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN2C(=O)CCC[C@H]12 211908536 KQADSAKAUUVRKH-JGVFFNPUSA-N 194.238 1.840 10 10 ADCE Cc1ccc(F)c(CNO)c1O 258084469 WAJDQIRBLANQSW-UHFFFAOYSA-N 171.171 1.319 10 10 ADCE CC[C@@H](N)[C@@H](N)c1ccc(C)cc1O 306629125 CEVCQDPIZLANMA-KOLCDFICSA-N 194.278 1.438 10 10 ADCE N=Nc1ccc2nc(N)nc(N)c2c1 306874198 ZHNDSKUODUBNTP-UHFFFAOYSA-N 188.194 1.457 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCC[C@@H](O)C1 307006023 FSIFMCDVKGBNDQ-RNFRBKRXSA-N 155.201 1.848 10 10 ADCE CCc1cc(C(=O)N=N)ccn1 307522830 CFIARRLGWXOOFT-UHFFFAOYSA-N 163.180 1.815 10 10 ADCE COCC(C)(C)N(C)CCN=[N+]=[N-] 388793401 MLUBZDUYDUTVAX-UHFFFAOYSA-N 186.259 1.654 10 10 ADCE [N-]=[N+]=NC[C@@H]1OC(=O)C[C@]12CCOC2 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238405130 PXUKVOFJPJINRZ-UHFFFAOYSA-N 154.129 1.494 10 10 ADCE O/C=C/C=S 238605624 UVWFBFOYUNHGPT-OWOJBTEDSA-N 88.131 1.058 10 10 ADCE C=C=CCCN1CC(N=[N+]=[N-])C1 1880854480 YQTMPAZWYZCCIT-UHFFFAOYSA-N 164.212 1.712 10 10 ADCE C[C@@H]1CNC(C)(C)CN1CCN=[N+]=[N-] 1888267540 QXBVMRIIFODADV-MRVPVSSYSA-N 197.286 1.369 10 10 ADCE CC1(CN2CC[C@H](N=[N+]=[N-])C2)COC1 1895506384 WYEKCWVGWNZLMU-QMMMGPOBSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@H](CO)C1 1912171814 PGWBHPKAUIDALS-VIFPVBQESA-N 198.270 1.391 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1cccc(F)c1 1929121787 KGNRDKYNLUMABR-JTQLQIEISA-N 196.177 1.017 10 10 ADCE CC(=O)C(=O)c1ccc(Cl)cc1O 1951527006 LTNWLDAKGSPUCH-UHFFFAOYSA-N 198.605 1.817 10 10 ADCE C=Cc1cc(O)nc(O)c1 1952365680 TWQLGKURQXOEME-UHFFFAOYSA-N 137.138 1.136 10 10 ADCE CN[C@@H](CF)c1ccc(F)cc1O 1952587353 UDMXJTIZCPBWGF-QMMMGPOBSA-N 187.189 1.761 10 10 ADCE CN[C@@H](C(=O)O)c1c(C)cccc1O 1955542853 BJRZXCQTFPXABA-SECBINFHSA-N 195.218 1.046 10 10 ADCE C[C@H](N)Cc1ccc(O)c(O)c1F 33961598 IRFBHSOCNBYPTQ-YFKPBYRVSA-N 185.198 1.127 10 10 ADCE COc1ccc2c(c1)OCCN2C 34121244 CKHMXIDBZYILFJ-UHFFFAOYSA-N 179.219 1.524 10 10 ADCE CC(C)N(CCO)CCCN=[N+]=[N-] 42480636 OJSCNUMLIDKRQC-UHFFFAOYSA-N 186.259 1.390 10 10 ADCE [N-]=[N+]=N[C@@H](CCO)c1cccnc1 75450740 NSMSIFADEIKKHR-QMMMGPOBSA-N 178.195 1.815 10 10 ADCE Cc1cc(C=O)c(O)c(CN(C)C)c1 75581246 QXUMUFQEOAHANE-UHFFFAOYSA-N 193.246 1.575 10 10 ADCE CCN1CCO[C@@H](CN=[N+]=[N-])C1 86006784 RPWMRPFHTRFUDR-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE Nc1ccc(CN2CC(F)C2)cc1 107257702 CEACUDNNGNWCDB-UHFFFAOYSA-N 180.226 1.423 10 10 ADCE CC(C)OC[C@@H](CO)N=[N+]=[N-] 138542054 ZZRATGGUCCHLQZ-ZCFIWIBFSA-N 159.189 1.083 10 10 ADCE CCOC(=O)[C@H](F)CN=[N+]=[N-] 196306571 LMYGULLUXYGWGT-SCSAIBSYSA-N 161.136 1.198 10 10 ADCE N[C@@H](CCCCO)c1ccccc1O 211644534 WOEBZHYCLXDKGC-JTQLQIEISA-N 195.262 1.555 10 10 ADCE CCC(CC)=C1SC(N)=NC1=O 238221271 KBWSNLBZULUODX-UHFFFAOYSA-N 184.264 1.649 10 10 ADCE CCCNC(=O)CCCN=[N+]=[N-] 238230618 DPKITSDBSNFMBO-UHFFFAOYSA-N 170.216 1.603 10 10 ADCE CO[C@]12C[C@@H](C)CCC1=C(C)[C@H](O)O2 306973517 VLLRKQRIPBXBIV-XROYCOCOSA-N 198.262 1.814 10 10 ADCE Cc1cccc(N)c1N[C@H](C)[C@H](C)O 307478743 FKTNWSRXERIRAD-BDAKNGLRSA-N 194.278 1.758 10 10 ADCE CCC[C@@H](O)[C@H](N)c1ccccc1O 308579979 JINCWGMBBPJIAR-GHMZBOCLSA-N 195.262 1.553 10 10 ADCE C[C@H](CF)NCc1ccccc1O 388681415 AIZVIIJTLHOYAD-MRVPVSSYSA-N 183.226 1.840 10 10 ADCE N[C@H](CF)c1c(O)cccc1O 757136039 YJPLBSFWPXAWEE-RXMQYKEDSA-N 171.171 1.067 10 10 ADCE COCc1ccoc1[C@H](CO)N=[N+]=[N-] 1535754250 OBLDGSFMLORZRH-ZETCQYMHSA-N 197.194 1.770 10 10 ADCE CC(C)N1CCN(CCN=[N+]=[N-])C1=O 1888376531 HVGAJTZTVDHTGO-UHFFFAOYSA-N 197.242 1.443 10 10 ADCE C[C@@H](O)CCCN1CC(N=[N+]=[N-])C1 1912197546 VUCJYRHJAJFYPH-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE COC[C@@H](C)[C@H](N)c1ccccc1O 1924025301 WEFCICNZBVEIAR-KCJUWKMLSA-N 195.262 1.675 10 10 ADCE COc1cc(C(=O)C(C)=O)ccc1F 1951322658 QKWPKQDNVQKHFS-UHFFFAOYSA-N 196.177 1.606 10 10 ADCE CC(N)=CC(=S)C(F)(F)F 1951330714 MCTLJSOHAWSWFF-UHFFFAOYSA-N 169.171 1.781 10 10 ADCE CC(=O)N1C[C@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C1 38301862 GLALFYDUOUWMJH-OLQVQODUSA-N 195.186 1.206 10 10 ADCE C[C@H](C(=N)N)c1ccc(O)c(O)c1 84335369 KRSQGQLXMSETIA-YFKPBYRVSA-N 180.207 1.137 10 10 ADCE C[C@@H]1CCN1c1ccc(CN)cc1 86681731 OGSLUKNXPACDQI-SECBINFHSA-N 176.263 1.744 10 10 ADCE CC(=S)/C=C(/C)O 100216833 IOBBRMMNXUURSJ-ARJAWSKDSA-N 116.185 1.838 10 10 ADCE CCN(OC)c1ccc(N)cc1 115959566 ZVTLIKPWKKOIOB-UHFFFAOYSA-N 166.224 1.657 10 10 ADCE [N-]=[N+]=NC1CCC(O)CC1 143184933 BKFIPKBWMODINV-UHFFFAOYSA-N 141.174 1.600 10 10 ADCE C/C(=C/CN=[N+]=[N-])CO 210439298 MHALFEFQWYMVKG-DJWKRKHSSA-N 127.147 1.235 10 10 ADCE C[C@H](N)c1ccc2c(c1O)CCN2C 213637714 KQWAXIFFMZCNHB-ZETCQYMHSA-N 192.262 1.404 10 10 ADCE N/C=C1\C=C(c2ccccc2)OC1=O 215768627 SYRRHBOHSLNGRS-VQHVLOKHSA-N 187.198 1.427 10 10 ADCE CC(=O)C[C@@H](O)c1cccc(O)c1O 238114997 YYDMPTRIDPIRFW-SECBINFHSA-N 196.202 1.110 10 10 ADCE 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CO[C@@H]1[C@@H](N=[N+]=[N-])COC12CCC2 1857785992 HMFUBBXGQJXHQZ-NKWVEPMBSA-N 183.211 1.633 10 10 ADCE C[C@@H]1CC[C@@H](N=[N+]=[N-])C[C@H]1O 1880180675 GWHATDLBIHCBRA-FSDSQADBSA-N 155.201 1.846 10 10 ADCE Nc1ccccc1N[C@H]1CCNC1 1883133503 FRNDVKVMGNRWDT-QMMMGPOBSA-N 177.251 1.043 10 10 ADCE CCN=c1cc(CN=[N+]=[N-])nc[nH]1 1883297796 CUYMJCRWQXPETG-UHFFFAOYSA-N 178.199 1.141 10 10 ADCE CC1(C)[C@H](O)CN1CCCN=[N+]=[N-] 1883988458 YMNQHASPGLAEAT-SSDOTTSWSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1[C@H]1CC[C@H]1O 1885288790 XUZVDJFGZVLUMB-XHNCKOQMSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=NCCCN1CCC=C[C@@H]1CO 1885824077 UKKIOFZNNBYUFT-SECBINFHSA-N 196.254 1.310 10 10 ADCE CN(CCCN=[N+]=[N-])CC1(O)CC1 1889129589 OZJRDXKDXRFJRQ-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE CO[C@H](C)CN1CCC(N=[N+]=[N-])CC1 1912171015 FPWHTNLHPWKDKZ-MRVPVSSYSA-N 198.270 1.796 10 10 ADCE O=C1C[C@H]2CCC[C@@H](C2)C1=O 1923491226 FWDSKFVIIZLBGH-BQBZGAKWSA-N 152.193 1.335 10 10 ADCE CC(=CCCN)c1nccn1C 1927733676 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COC(=O)[C@@H]1C=C[C@@H](N=[N+]=[N-])C1 213557677 FQONXKMKJKEHQD-PHDIDXHHSA-N 167.168 1.414 10 10 ADCE COC(=O)[C@H](C)c1ccc(O)c(O)c1 218578327 AQDISQVHMMLPFF-ZCFIWIBFSA-N 196.202 1.374 10 10 ADCE [N-]=[N+]=NC[C@H]1OC(=O)N2CCCC[C@@H]12 238595145 OXGQKMBBKJDTPP-NKWVEPMBSA-N 196.210 1.670 10 10 ADCE Cc1c(CN=[N+]=[N-])cnn1C 575564391 DCGZWWWYFJAEQN-UHFFFAOYSA-N 151.173 1.539 10 10 ADCE NCC[C@@H](F)c1cccc(O)c1O 1535735429 KBPMHEAWVFHIOP-SSDOTTSWSA-N 185.198 1.457 10 10 ADCE Cc1cnn(C)c1CN=[N+]=[N-] 1535762206 ODGVHGZSWPGFPF-UHFFFAOYSA-N 151.173 1.539 10 10 ADCE C[C@@H]1CCO[C@@H]1CN1CC(N=[N+]=[N-])C1 1912149570 IEZNWFXCOVQJPN-VXNVDRBHSA-N 196.254 1.406 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@H](C(F)F)CCO1 1912150913 ADVPMJHKVIDWNZ-CRCLSJGQSA-N 192.169 1.266 10 10 ADCE [N-]=[N+]=NC1CN(CC2CC(F)C2)C1 1912191453 RSGKGRZKFBXHMT-UHFFFAOYSA-N 184.218 1.729 10 10 ADCE Cc1ccc(O)c([C@@]2(C)CCN2)c1 1952215730 ZIKBUZNQPPNAHR-LLVKDONJSA-N 177.247 1.909 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CCO[C@@H]2C1 1956920099 UYBIIHJQARINEH-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE CC(C)[C@@H]1CNCCN1CCN=[N+]=[N-] 1957243709 HAJZYLJMVQOTDM-VIFPVBQESA-N 197.286 1.227 10 10 ADCE CNC1(C)CCN(CCN=[N+]=[N-])CC1 1957243896 JJFACEUGBPJRGU-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@H]1N 1957246835 HIXQJPUVKJPOPJ-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE C[C@H]1NCCc2cc(O)c(O)c(O)c21 14724836 TVQYXGYPRKPEFG-RXMQYKEDSA-N 195.218 1.010 10 10 ADCE Oc1ccc([C@H]2CCCNC2)cc1O 29243040 UXLLSNYRUTZORA-VIFPVBQESA-N 193.246 1.565 10 10 ADCE CC[C@@H](N)Cc1cc(O)c(O)c(O)c1 33861527 PIHTUWXBWJFZBZ-SSDOTTSWSA-N 197.234 1.083 10 10 ADCE CCC(=O)C(=O)c1cccc(OC)c1 57488512 WOPGQEFCYFVCQU-UHFFFAOYSA-N 192.214 1.857 10 10 ADCE CCC(=O)C(=O)c1ccncc1 84427624 VBHMHQNPTSHNOK-UHFFFAOYSA-N 163.176 1.243 10 10 ADCE COc1ccc([C@@H](N)C2CC2)c(O)c1 95672850 VNPHUMDGGZDOGR-NSHDSACASA-N 193.246 1.811 10 10 ADCE CCC(=O)[C@@H](C)C(C)=S 196686295 OKFJNQWUCJZPSB-YFKPBYRVSA-N 144.239 1.991 10 10 ADCE CCCCCCNC(=O)CN=[N+]=[N-] 201200745 KHLONAAMGVDYDX-UHFFFAOYSA-N 184.243 1.993 10 10 ADCE NCc1sc2cc[nH]c2c1O 211401612 BKRINXLXKGHJIY-UHFFFAOYSA-N 168.221 1.394 10 10 ADCE C[C@@H]1CC[C@@H](CN=[N+]=[N-])O1 232016155 BYGIZUORCZMTAM-RITPCOANSA-N 141.174 1.864 10 10 ADCE CC(=O)N1CCC[C@H]1N=[N+]=[N-] 238046088 JEOCZVBZRSHWIA-LURJTMIESA-N 154.173 1.265 10 10 ADCE Cc1cc(CNO)c(O)c(O)c1C 258006210 HAGGZIGJBDPLND-UHFFFAOYSA-N 183.207 1.193 10 10 ADCE O[C@H]1CC[C@@H]1Sc1nccs1 707390574 POBLMZONYUIQQU-WDSKDSINSA-N 187.289 1.759 10 10 ADCE CCn1ccnc1/C=C1\CC[C@H](N)C1 708527764 MYTHYSQJHHCIRE-DDXVTDLHSA-N 191.278 1.798 10 10 ADCE CC[C@H]1NCCC1=Cc1nccn1C 1887400832 AFBIZCUARVSKID-SNVBAGLBSA-N 191.278 1.575 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2CCCOC2)C1 1912178549 NLSPDKSYNPWFGF-MRVPVSSYSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCCCN1CCOC1=O 1912197598 WITDBAHYZPCVKR-UHFFFAOYSA-N 184.199 1.529 10 10 ADCE CC(=O)C(=O)c1c(C)c[nH]c1C 1951592013 UMJKNNZGUHXINW-UHFFFAOYSA-N 165.192 1.403 10 10 ADCE CN[C@@H](CF)Cc1ccc(O)c(O)c1 1952585930 HAGQQTQLPWCVDY-MRVPVSSYSA-N 199.225 1.198 10 10 ADCE CCN(C)c1ccc(OC)cc1CN 2209735178 FCLWCKAPXMFVER-UHFFFAOYSA-N 194.278 1.610 10 10 ADCE NCc1c(O)ccc2c1CCC[C@@H]2O 84250521 OZVKTPWEYMMNQK-JTQLQIEISA-N 193.246 1.221 10 10 ADCE COc1ccc([C@H]2CCN2)c(O)c1 95784001 PPTNVTMAFDEQNO-SECBINFHSA-N 179.219 1.435 10 10 ADCE COc1cc(C)cc([C@@H](C)N)c1O 104525148 IKCMBRFDBLPGQQ-SSDOTTSWSA-N 181.235 1.729 10 10 ADCE COc1cc(N(C)C)ccc1CN 108239130 MDNOVTDAYVWJDC-UHFFFAOYSA-N 180.251 1.220 10 10 ADCE CCOc1ccc(O)c([C@@H]2CCN2)c1 211628918 XZBPVJUMNCPTJT-JTQLQIEISA-N 193.246 1.825 10 10 ADCE CCCCC(=O)C(=O)C1CC1 238222322 QHYNKXUMIQDEEK-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE COc1c(C)cc(N(C)CO)cc1C 258871758 GQVWOEWEKFZVDW-UHFFFAOYSA-N 195.262 1.698 10 10 ADCE CC(C)[C@@H]1[C@@H]2CC[C@H]1C(=O)C2=O 307571952 DPQIDUMMQUEVJX-JIGDXULJSA-N 166.220 1.437 10 10 ADCE CN(CCCCO)CCCN=[N+]=[N-] 384859499 IPIAPFJSKLZLOU-UHFFFAOYSA-N 186.259 1.391 10 10 ADCE C[C@@H]1CNCC/C1=C/c1nccn1C 690647265 MMUGKDOBRGLBAV-SBMLRHLQSA-N 191.278 1.433 10 10 ADCE C[C@]1(CO)CCCN1CCCN=[N+]=[N-] 723022640 QPLZMPWRBVRRHR-SECBINFHSA-N 198.270 1.534 10 10 ADCE C[C@@H]1OCC[C@@H]1[C@H](CO)N=[N+]=[N-] 1535811130 QGOHVENBEIASIU-ACZMJKKPSA-N 171.200 1.083 10 10 ADCE C[C@H](N)[C@H](C)Nc1ccccc1N 1883134861 ZUZVAWLLLAZWCC-YUMQZZPRSA-N 179.267 1.416 10 10 ADCE CC(=O)C(=O)[C@H](O)CCCCC1CC1 1890417525 RHFNYVHYJHORQH-SNVBAGLBSA-N 198.262 1.476 10 10 ADCE CO[C@H](C)CN1CC(N=[N+]=[N-])C1 1912146564 SKOPIZFDLFJFGG-ZCFIWIBFSA-N 170.216 1.016 10 10 ADCE CC(=O)C(=O)c1cccc2c[nH]nc12 1951717990 TWYXNTJMJVCHGR-UHFFFAOYSA-N 188.186 1.335 10 10 ADCE Cc1ccc([C@@H]2C[C@H](O)CN2)c(O)c1 1952064143 ISBKQRVRJLOWRZ-WPRPVWTQSA-N 193.246 1.096 10 10 ADCE CC(=O)C(=O)[C@H]1CC[C@H](C)CC1 1952721590 JQCBJDKVKPOBBH-XWEPSHTISA-N 168.236 1.971 10 10 ADCE Nc1ccccc1N[C@@H]1C[C@H]1CO 1954310449 YHKVNJZSVFLOKK-OIBJUYFYSA-N 178.235 1.062 10 10 ADCE CN(CCCCN=[N+]=[N-])C1CC(N)C1 1957249566 LFSYOJGLVJWJLM-UHFFFAOYSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=NCCCNC(=O)C1(F)CC1 1963700456 ZGWMFDWUNOXCOO-UHFFFAOYSA-N 186.190 1.305 10 10 ADCE Cc1cc(O)c(C(=O)O)s1 59750838 CXVQBFWADCAINZ-UHFFFAOYSA-N 158.178 1.460 10 10 ADCE C[C@@H]1C[C@]1(CN)c1ccc(O)c(O)c1 75120863 AJXKSOMNWZVVIJ-RDDDGLTNSA-N 193.246 1.334 10 10 ADCE [N-]=[N+]=NCC[C@H](O)c1ccccn1 75458061 CRBVQNFCPVVJPZ-QMMMGPOBSA-N 178.195 1.815 10 10 ADCE C[C@@H]1CCN1Cc1ccc(N)cc1 86687976 PGXSTZYHPQCXMT-SECBINFHSA-N 176.263 1.863 10 10 ADCE Cc1cc([N+](=O)[O-])cc([C@@H](C)N)c1O 104523759 NYXZMIWODUNLLH-ZCFIWIBFSA-N 196.206 1.629 10 10 ADCE Cn1ccc2c(CN)c(O)ccc21 107125396 JUTXTYOLMOQVEP-UHFFFAOYSA-N 176.219 1.343 10 10 ADCE C[C@@H]1CC[C@H](O)[C@H](N=[N+]=[N-])C1 130789289 RJCPAJQFVLTSMK-QYNIQEEDSA-N 155.201 1.846 10 10 ADCE CCOC(=O)/C(=C\O)CC(F)(F)F 146093703 UZBXHJDRJPWKFF-PLNGDYQASA-N 198.140 1.944 10 10 ADCE C[C@H](O)CCCNc1ccc(N)cc1 227532045 BCTHVDVEXITGID-VIFPVBQESA-N 194.278 1.842 10 10 ADCE C[C@H]1CC[C@H](CN=[N+]=[N-])O1 232016163 BYGIZUORCZMTAM-NTSWFWBYSA-N 141.174 1.864 10 10 ADCE Cc1cc(CN)ccc1N1CCC1 306985590 WPMUCYPPTOGHJF-UHFFFAOYSA-N 176.263 1.664 10 10 ADCE CO[C@@H]1C[C@H]1COc1ccc(N)cc1 1887303310 PKLYUYVGRZJSHH-GZMMTYOYSA-N 193.246 1.683 10 10 ADCE C[C@@H](NC(=O)NCCN=[N+]=[N-])C1CC1 1888751825 HECDEINUIHJRHA-ZCFIWIBFSA-N 197.242 1.394 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H]2C[C@H]2CF)C1 1888818608 PAVZDCWLODBFNP-XHNCKOQMSA-N 198.245 1.977 10 10 ADCE CN(CCN=[N+]=[N-])C[C@]1(C)CCCO1 1912153983 KIXRQKIWIPKOGN-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@@H](O)[C@@H](C)OCc1ccc(N)cc1 1924876821 BAGPAQQCBGXNIH-RKDXNWHRSA-N 195.262 1.555 10 10 ADCE COCC[C@@H](N)c1ccc(O)c(O)c1 1951591493 JMROYPAENDAFSW-MRVPVSSYSA-N 197.234 1.134 10 10 ADCE CC(C)[C@@H](NN)c1c(O)cccc1F 2080480586 YJVISKFNZPCMQP-SNVBAGLBSA-N 198.241 1.692 10 10 ADCE COC[C@@]1(C)C=CCN1CCN=[N+]=[N-] 2241614746 JFWDZZJWYUAOAP-SECBINFHSA-N 196.254 1.574 10 10 ADCE N=C1C=CC(=N)C=C1 5133109 ACFNYGLBKAZUDY-UHFFFAOYSA-N 106.128 1.152 10 10 ADCE CN(C)Cc1cccc(O)c1O 5965041 FVIHLQHUULUVEB-UHFFFAOYSA-N 167.208 1.159 10 10 ADCE N[C@@H](c1cc(CO)ccc1O)C1CC1 104454928 WBQHDIRTBMZQJN-LLVKDONJSA-N 193.246 1.294 10 10 ADCE C[C@@H](N=[N+]=[N-])C1=NOCCO1 197117749 ZPKMMFAUILSJOC-SCSAIBSYSA-N 156.145 1.046 10 10 ADCE CNCc1c(O)ccc(C)c1F 212382901 OCMFNAGOZDMKPJ-UHFFFAOYSA-N 169.199 1.559 10 10 ADCE CC(C)[C@@H](O)[C@H](N)c1ccccc1O 238792987 KEPGTACUZNSALI-GHMZBOCLSA-N 195.262 1.409 10 10 ADCE CONCc1ccc2c(c1O)CCC2 258064897 LSUZFLDCYZMQTO-UHFFFAOYSA-N 193.246 1.532 10 10 ADCE Oc1ccccc1CN1CCCO1 306220297 HMTDWBLDVUWKCM-UHFFFAOYSA-N 179.219 1.530 10 10 ADCE Cc1ccc(O)c([C@@H](N)CCN)c1 306833346 NWMCFQBWKMRYPQ-VIFPVBQESA-N 180.251 1.049 10 10 ADCE Oc1c(F)cccc1CNN1CCC1 686780072 VTTUUBOYLGSACO-UHFFFAOYSA-N 196.225 1.242 10 10 ADCE Cc1cnn(C)c1[C@@H](CO)N=[N+]=[N-] 1535761752 MDFCVUHSGHOZJW-ZCFIWIBFSA-N 181.199 1.072 10 10 ADCE C[C@H](N[S@](C)=O)c1ccccc1O 1883208248 JWGIPOCJSOMOBF-CPFSXVBKSA-N 199.275 1.336 10 10 ADCE C[S@@](=O)N1CCC(N=[N+]=[N-])CC1 1912176987 BASDRGOUMNVMSA-GFCCVEGCSA-N 188.256 1.055 10 10 ADCE C[C@@H](CON)Cc1ccc(O)c(O)c1 1952207051 QYVARSLGZLUZMC-SSDOTTSWSA-N 197.234 1.167 10 10 ADCE CCN(CCN=[N+]=[N-])C1CCNCC1 1957246633 DLAKYFBPWSWKRR-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCc1ncc2cnccn12 38888809 FLDBAOYQGYEROM-UHFFFAOYSA-N 174.167 1.540 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)C1CCCC1 62830675 CVXDJULBAXPJAR-LBPRGKRZSA-N 187.268 1.988 10 10 ADCE C[C@@H](N)c1ccc2c(c1)OCCN2C 82891437 DKLGAPKWLDNFCW-MRVPVSSYSA-N 192.262 1.535 10 10 ADCE COc1c(C)cc(N(C)C)c(C)c1N 83230322 XHUVMEMOELXNRR-UHFFFAOYSA-N 194.278 1.960 10 10 ADCE C[C@@H]1CC(=O)c2c(O)cccc2C1=O 100829759 ALPCEXCHMFUSAN-ZCFIWIBFSA-N 190.198 1.797 10 10 ADCE endogenous,in-man Oc1cc2cc(O)c(O)cc2cc1O 113610512 ZJASMNZFUUBMRG-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE CCc1cc(N)c(O)c([C@H](N)CC)c1 238272489 OHCJFRQYEVCYBN-SECBINFHSA-N 194.278 1.947 10 10 ADCE COc1cc(C)c(CN)c(O)c1F 238366876 REQAZHPEUOKJOY-UHFFFAOYSA-N 185.198 1.307 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H](N=[N+]=[N-])CC[C@H]1O 238659949 AANHVVCKXVBVAS-NGJCXOISSA-N 182.187 1.889 10 10 ADCE CN=N[C@H](NC)C(C)C 256192628 ZMUQUEMCPWVSRK-LURJTMIESA-N 129.207 1.270 10 10 ADCE C[C@H]1OCCN(CCN=[N+]=[N-])[C@@H]1C 306906244 YMRGEGYDNXNCPO-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE COC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1N=[N+]=[N-] 307637562 WYCNTQPKPUJXMJ-DKXJUACHSA-N 193.206 1.660 10 10 ADCE COc1cc(C)c2c(c1)[C@H](O)CN2C 527413376 YUNNCWZYALOWIW-SNVBAGLBSA-N 193.246 1.487 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC[C@@H]1N 708201422 LHFHXZFWWYMMAQ-RITPCOANSA-N 140.190 1.424 10 10 ADCE C[C@H]1CNC[C@@H]1CN=[N+]=[N-] 721050116 BJJJCRBNTWLGGL-NTSWFWBYSA-N 140.190 1.152 10 10 ADCE C[C@H]1NC[C@@H]1Oc1ccc(N)cc1 1218383070 MHHOHHGJPZQDTN-XCBNKYQSSA-N 178.235 1.008 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCC[C@H]1F 1880028777 WSOGWDHZAXLDNJ-UHNVWZDZSA-N 145.137 1.424 10 10 ADCE CNCC(C)(C)CN=[N+]=[N-] 1880131664 DDOUECCALAHAQG-UHFFFAOYSA-N 142.206 1.542 10 10 ADCE CC(C)[C@H]1[C@H](O)CCN1CCN=[N+]=[N-] 1885841883 JTXAMFCFEFHAKV-BDAKNGLRSA-N 198.270 1.388 10 10 ADCE COCC1(CN(C)CCN=[N+]=[N-])CC1 1892047076 FWYFCETYJCIEQZ-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE C[C@H]1C[C@@H]1C(=O)CN=[N+]=[N-] 1893780633 HXYZKLQNZMTCBA-WHFBIAKZSA-N 139.158 1.522 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C(=O)C2CCC2)C1 1912206249 FUJJZBHUDVMJSD-QMMMGPOBSA-N 194.238 1.698 10 10 ADCE [N-]=[N+]=NCc1cccnc1O 1951395236 SSNKUOLPBPJFBK-UHFFFAOYSA-N 150.141 1.598 10 10 ADCE C[C@H](CON)Cc1ccc(O)c(O)c1 1952207052 QYVARSLGZLUZMC-ZETCQYMHSA-N 197.234 1.167 10 10 ADCE CNCC[C@@H](C)N(C)CCN=[N+]=[N-] 1954207842 CRFBBZKWZVEJNQ-MRVPVSSYSA-N 185.275 1.227 10 10 ADCE C[C@H](O)Cc1ccc(O)c(O)c1 6020987 DWGPKVSAWGQTPQ-LURJTMIESA-N 168.192 1.021 10 10 ADCE C[C@H]1NCCc2c1ccc(O)c2O 75793199 DZYVXGBVZYPALR-ZCFIWIBFSA-N 179.219 1.305 10 10 ADCE C[C@H](O)CCCOc1ccc(N)cc1 90769096 YANOLXYXLXNCFB-VIFPVBQESA-N 195.262 1.809 10 10 ADCE [N-]=[N+]=NCC(=O)c1cc([N+](=O)[O-])c[nH]1 130741794 CPDRFBMYEIYSKP-UHFFFAOYSA-N 195.138 1.416 10 10 ADCE [N-]=[N+]=NC[C@H](O)C(=O)c1ccccc1 137225926 VFKLUGXEYZCXFW-QMMMGPOBSA-N 191.190 1.541 10 10 ADCE CC(=O)O[C@@H]1CC[C@H](N=[N+]=[N-])CO1 238065926 JIIJQYNGHRBVQL-NKWVEPMBSA-N 185.183 1.365 10 10 ADCE CCc1cc(O)c(CC)c(O)c1O 238335082 SEOANAICJUALQY-UHFFFAOYSA-N 182.219 1.928 10 10 ADCE C[C@H](O)[C@@H](N)c1cc(S)ccc1O 238463659 QACOYJDBZJISMM-SSDLBLMSSA-N 199.275 1.062 10 10 ADCE O=C1CCC2(CCCC2)C1=O 306632858 CPROMZGALKYIJE-UHFFFAOYSA-N 152.193 1.479 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C1(F)CC1 1880124578 BGOIIMSQYJOBEB-SCSAIBSYSA-N 145.137 1.160 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)NC(C)C 1887718057 RZBMSCJZBZZYPK-UHFFFAOYSA-N 199.258 1.737 10 10 ADCE CC(C)[C@@H](CN)CN=[N+]=[N-] 1912165991 RAPIMSAIVKJOIV-LURJTMIESA-N 142.206 1.528 10 10 ADCE O=C1C[C@H](c2ccc(F)cc2O)N1 1951666422 LAKFVGBZPVQEIG-SSDOTTSWSA-N 181.166 1.092 10 10 ADCE NC[C@@H]1C[C@H]1Cc1ccc(O)c(O)c1 1952074368 MGRKRJMZYSNHKB-BDAKNGLRSA-N 193.246 1.235 10 10 ADCE N[C@H](c1c(O)cccc1F)C1(O)CC1 1952411451 OWBJSZHXHPMDCO-SECBINFHSA-N 197.209 1.056 10 10 ADCE CN[C@H](CF)c1cccc(OC)c1O 1952572967 JDZQXSRZVHFRPB-MRVPVSSYSA-N 199.225 1.631 10 10 ADCE Cc1ncsc1[C@H](O)CN=[N+]=[N-] 2209074175 KBJNCSBLQSBRLM-RXMQYKEDSA-N 184.224 1.795 10 10 ADCE Cc1cc(=O)n(CCN=[N+]=[N-])c(C)n1 82599218 BQJIHPUYNAPQAQ-UHFFFAOYSA-N 193.210 1.170 10 10 ADCE Cc1cc(C)c(C2(N)CC2)c(O)c1 83272674 FXCONTAJQRRXJY-UHFFFAOYSA-N 177.247 1.957 10 10 ADCE CSc1cccc(CN)c1O 95722641 XMVVQPDGCGWYDP-UHFFFAOYSA-N 169.249 1.573 10 10 ADCE [N-]=[N+]=N/C=C/C=C\C(=O)O 214038013 CWXNFVAOUPNEPQ-HSFFGMMNSA-N 139.114 1.451 10 10 ADCE CCC(=O)C(=O)Nc1ccc(N)cc1 223111555 ZZQNPBLXKBPSIA-UHFFFAOYSA-N 192.218 1.186 10 10 ADCE C=COCCOCCN=[N+]=[N-] 238103448 DRMNYYUPTWIZDJ-UHFFFAOYSA-N 157.173 1.473 10 10 ADCE CS1=CC(=O)CCC1 238398941 RYCJNBPQBSPPLE-UHFFFAOYSA-N 130.212 1.050 10 10 ADCE Nc1cc(F)cc(C2(N)CC2)c1O 238602377 YPTXAIQHILHXAY-UHFFFAOYSA-N 182.198 1.061 10 10 ADCE [N-]=[N+]=NC(N=[N+]=[N-])C(=O)O 238676449 FGPCIEDMYNVVIH-UHFFFAOYSA-N 142.078 1.018 10 10 ADCE CCN(C)Cc1ccc(O)cc1O 306440526 NVAZAWMRRNXRBL-UHFFFAOYSA-N 181.235 1.550 10 10 ADCE C[C@@H]1[C@@H](O)CCCN1CCCN=[N+]=[N-] 384986526 ZUQHVEKOTBFMKA-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]1CF 1880297204 LIDNXUFGBFGDCD-ZCFIWIBFSA-N 158.180 1.341 10 10 ADCE CC1(C)[C@H](N)CCN1CCCN=[N+]=[N-] 1893655296 KRAFUVWCUPCSOY-MRVPVSSYSA-N 197.286 1.498 10 10 ADCE NC[C@H]1CC[C@H]1Oc1ccc(N)cc1 1904948993 YAEVOYPDUOOQNN-LDYMZIIASA-N 192.262 1.385 10 10 ADCE CCOCCCN1CC(N=[N+]=[N-])C1 1912184512 YYHRBEAMVDUJQJ-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CO[C@H](C)[C@](C)(N)c1ccccc1O 1928465902 AGSPZPVXODLSPL-KCJUWKMLSA-N 195.262 1.601 10 10 ADCE CCOC[C@](C)(N)c1ccccc1O 1928477554 WFBRBUVISPNBJK-NSHDSACASA-N 195.262 1.603 10 10 ADCE CC(=O)C(=O)c1cccc(Cl)n1 1951928078 MHRGPZKFRDBGEX-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE CC(=O)C(=O)c1ccnn1CC(C)C 1952226830 WYGPNVSTBKKLAO-UHFFFAOYSA-N 194.234 1.311 10 10 ADCE C[C@H]1C[C@H](CN(C)CCN=[N+]=[N-])CO1 1955206558 ZMFZRARIBRIXDF-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@H]2C[C@@H]1[C@H]1C[C@@H]21 1955369115 APEYEGCKSAEIPC-VGRMVHKJSA-N 192.222 1.164 10 10 ADCE CNC[C@@H]1CCc2c1ccc(O)c2O 29210365 YOQZSZXAEUVQAT-ZETCQYMHSA-N 193.246 1.347 10 10 ADCE CC(C)(C)NC(=O)NCCN=[N+]=[N-] 42012714 ZVXMJPCMSVBVGL-UHFFFAOYSA-N 185.231 1.394 10 10 ADCE COc1ccc2c(c1)C(=O)C(=O)CC2 80635627 UQXZEZOBDQYEHL-UHFFFAOYSA-N 190.198 1.393 10 10 ADCE Cc1cc(C)c(CN(C)O)c(O)c1 82873769 ZNIGGTQOLDDKOW-UHFFFAOYSA-N 181.235 1.830 10 10 ADCE CNCc1cc2occc2cc1O 107336122 DOBHSCZCKVTPEG-UHFFFAOYSA-N 177.203 1.858 10 10 ADCE CCN1CC(Oc2ccc(N)cc2)C1 138198256 YFTXVLYHSXWFQL-UHFFFAOYSA-N 192.262 1.352 10 10 ADCE N=C(NC1CC1)c1ccc(O)c(O)c1 236625157 MFGLGMVSMOXPFE-UHFFFAOYSA-N 192.218 1.175 10 10 ADCE CN[C@@H](C)c1cc(N)cc(F)c1O 238327752 PUDQQLQLCXSPDB-YFKPBYRVSA-N 184.214 1.394 10 10 ADCE Cc1c(F)ccc([C@@H](N)CF)c1O 238489074 RISGPPWWHQIESG-QMMMGPOBSA-N 187.189 1.809 10 10 ADCE Oc1cc(O)c2cccnc2c1O 238720115 MUIWRMREWWNAND-UHFFFAOYSA-N 177.159 1.352 10 10 ADCE CCCC[C@@H](N)c1cc(O)nc(O)c1 238793340 YWQVWYCLIWENAO-MRVPVSSYSA-N 196.250 1.683 10 10 ADCE Nc1cc(O)c(O)c2ccsc12 306798220 BYUXIICICQLYEU-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE COC(=O)N=N/C(C)=C/C(=O)O 396143215 UYCOELYXFXWTIH-NOUJRTOJSA-N 172.140 1.193 10 10 ADCE c1csc(S[C@@H]2CNOC2)n1 722495676 QDUPUTBEZQEUSI-RXMQYKEDSA-N 188.277 1.139 10 10 ADCE COc1ccc(N2CC(N)C2)cc1C 1906246432 JDMYHUKLNPDAJL-UHFFFAOYSA-N 192.262 1.151 10 10 ADCE COCCCCN1CC(N=[N+]=[N-])C1 1912194202 JJCOOZXZGHRGMY-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC(=O)C(=O)c1scnc1C 1951592240 UUCMEMYKPGXRRB-UHFFFAOYSA-N 169.205 1.223 10 10 ADCE Cc1cccc([C@@]2(C)CC(=O)N2)c1O 1951856306 PRKQRJWKHARVNE-LLVKDONJSA-N 191.230 1.436 10 10 ADCE COc1cccc([C@@]2(C)CCN2)c1O 1952219964 XJLIBVDZZVDYSO-LLVKDONJSA-N 193.246 1.609 10 10 ADCE C[C@]1(Cc2ccc(O)c(O)c2)CCN1 1952235091 CEDACVHFMSEBJH-LLVKDONJSA-N 193.246 1.392 10 10 ADCE C[C@]1(CN)C[C@@H]1c1cccc(O)c1O 1952244956 OJCNFYAFPPKGFY-LDYMZIIASA-N 193.246 1.550 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C=C[C@@H]1C2 1953644318 QWHHDWSYEKQQRD-JGVFFNPUSA-N 164.212 1.557 10 10 ADCE N[C@@H]1CCc2c(Cl)ccc(O)c21 27656663 NASWFPRMJNSUSS-SSDOTTSWSA-N 183.638 1.992 10 10 ADCE CC[C@@H]1CN(CCCN=[N+]=[N-])CCO1 42415943 NTRHLZQNKLFZTB-SECBINFHSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCCn1ccsc1=O 70914831 KBBCVCMEQVINGH-UHFFFAOYSA-N 170.197 1.220 10 10 ADCE Cc1cc(C)c(O)c([C@H](N)CCO)c1 82907429 VZKUGIKJYFZGDT-SNVBAGLBSA-N 195.262 1.391 10 10 ADCE C[C@@H](O)[C@@H](C)Oc1ccc(N)cc1 87141215 GHYXGRLJPDNNJR-HTQZYQBOSA-N 181.235 1.417 10 10 ADCE CSCCCCN=[N+]=N 138341105 GXRDUWQMHJIPGP-UHFFFAOYSA-N 146.239 1.680 10 10 ADCE [N-]=[N+]=N[C@@H]1CN2CC[C@H]1C2 144262706 CFDHVPPGMQFPLZ-NTSWFWBYSA-N 138.174 1.001 10 10 ADCE C[Si](C)(C)C=[N+]=N 195796182 DPJFXHOHFPEQSY-UHFFFAOYSA-N 115.232 1.174 10 10 ADCE C/C(=C/C[C@H](N=[N+]=[N-])C(=O)O)CO 219695578 SILILJJDVGITDG-YTGOSFIHSA-N 185.183 1.079 10 10 ADCE Nc1ccc(NCc2ccno2)cc1 231878702 TVTYQKHBWOLGHI-UHFFFAOYSA-N 189.218 1.869 10 10 ADCE CONCc1c(O)cccc1SC 257977806 ABOXQTIZNQORBS-UHFFFAOYSA-N 199.275 1.765 10 10 ADCE CCO[C@@H](C)[C@H](CO)N=[N+]=[N-] 1535801510 UGJJIGMFOIFYCN-WDSKDSINSA-N 159.189 1.083 10 10 ADCE CN(C)/N=N/c1ccc2c(c1)OCO2 1860481582 JHPQKDCUAHBCAH-ZHACJKMWSA-N 193.206 1.976 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCC[C@@H]2O)C1 1912183805 UPQVDBBYTKCMPQ-HLTSFMKQSA-N 196.254 1.284 10 10 ADCE CC(=O)C(=O)[C@](C)(O)C1CCCCC1 1929124809 QRKKQKXGKFPXQF-LLVKDONJSA-N 198.262 1.476 10 10 ADCE CC[C@H](O)[C@H](NC)c1ccccc1O 1929430081 AEHIXEYUNIJBBG-GXSJLCMTSA-N 195.262 1.424 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CC[C@H]2C1=O 1935424625 OORGXDVQGHIKEK-HTQZYQBOSA-N 194.238 1.555 10 10 ADCE CNCC1CCN(CCN=[N+]=[N-])CC1 1957245681 ZTWVDKHGYZEYPT-UHFFFAOYSA-N 197.286 1.228 10 10 ADCE CCc1cc(F)cc(O)c1O 2060111060 HFDYIJFTWYGKMF-UHFFFAOYSA-N 156.156 1.799 10 10 ADCE CN[C@H](C)Cc1ccc(N)cc1 2048759 CCAQCUJAADGTGQ-MRVPVSSYSA-N 164.252 1.419 10 10 ADCE CN(C)c1ccc2c(c1)C[C@@H](N)CN2 82389276 YGYGBGTYJIUTND-SECBINFHSA-N 191.278 1.048 10 10 ADCE Cc1ccc(O)c([C@@H](N)CO)c1C 108293742 XLLHNEPACIYKTL-QMMMGPOBSA-N 181.235 1.001 10 10 ADCE [N-]=[N+]=N[C@H]1c2ccccc2C[C@H]1O 138541915 GGUSIXKVMSRGIH-BDAKNGLRSA-N 175.191 1.955 10 10 ADCE CC[C@@H]1C/C(=C/O)C(=O)O1 205077744 SVVLJJMQINRCJG-WWVFMHICSA-N 142.154 1.154 10 10 ADCE C[C@H](NN(C)C)c1c(O)cccc1O 235507196 MXEZCNZWCOPWPV-ZETCQYMHSA-N 196.250 1.225 10 10 ADCE CN1CCC[C@H]1CCN=[N+]=[N-] 238351993 FZYNZBZPJWEDHP-ZETCQYMHSA-N 154.217 1.781 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCC[C@H]1O 238716216 WPGVNILMHPRPCL-RNFRBKRXSA-N 155.201 1.848 10 10 ADCE CC[C@@](C)(N)c1cccc(CO)c1O 306172659 BGTWFVQWFOGZIQ-LLVKDONJSA-N 195.262 1.468 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@]12CCOC2 306183086 ZPXVWXDJWZYJRM-NKWVEPMBSA-N 153.185 1.866 10 10 ADCE CC(=O)O[C@@H]1CC[C@H](N=[N+]=[N-])[C@H]1F 306447032 CRSXLTWPCXRIMY-RRKCRQDMSA-N 187.174 1.729 10 10 ADCE N[C@@H]1CC(=O)c2ccc(F)c(O)c21 713755265 NXXFBWJLBPREEH-ZCFIWIBFSA-N 181.166 1.118 10 10 ADCE C[C@H](CCN)c1ccc(O)c(O)c1O 1535836435 SOZZQJJRUCSSFJ-ZCFIWIBFSA-N 197.234 1.256 10 10 ADCE CC1(C)C[C@@H]1[C@@H](O)CN=[N+]=[N-] 1880513990 YYXHRTOZPTYJOE-RITPCOANSA-N 155.201 1.704 10 10 ADCE NC[C@H]1C[C@H]1Nc1ccc(N)cc1 1883153178 MUNXTFNYXPULBD-GMSGAONNSA-N 177.251 1.028 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1[C@H]2CCO[C@@H]12 1884443826 DJOVMLYOXNPCTD-IWSPIJDZSA-N 196.254 1.263 10 10 ADCE C=CC(=O)N(C)Cc1ccc(N)cc1 1929661572 OVGFGALBGZKWEX-UHFFFAOYSA-N 190.246 1.413 10 10 ADCE C[C@]1(CO)CCN1c1ccc(N)cc1 1932966041 YJJDUZSQLDICTF-LLVKDONJSA-N 192.262 1.230 10 10 ADCE CC(=O)C(=O)c1ccccc1N(C)C 1951571456 HDPGBJHGOJVUKK-UHFFFAOYSA-N 191.230 1.524 10 10 ADCE C[C@H](N)CCc1cc(O)c(O)c(O)c1 1951735509 UXFJRDWWUBOCID-LURJTMIESA-N 197.234 1.083 10 10 ADCE CNC1(c2ccc(F)cc2O)CC1 1952383515 ULNRMTHJSXMJNT-UHFFFAOYSA-N 181.210 1.740 10 10 ADCE Oc1ccc(F)cc1[C@@H]1NCC[C@H]1F 1952818401 GTWHYOJFMQXDOW-SCZZXKLOSA-N 199.200 1.904 10 10 ADCE Cc1cc(=N)[nH]cc1CN=[N+]=[N-] 1953644450 SQRAKKAZUSJAFI-UHFFFAOYSA-N 163.184 1.613 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCCC12CC2 1957110224 FTOFMRVSVTVBLD-LLVKDONJSA-N 196.246 1.230 10 10 ADCE Nc1cc(O)c(O)cc1C(F)F 2055240420 XDCONEPOUMDMRF-UHFFFAOYSA-N 175.134 1.618 10 10 ADCE Cc1nc(CN=[N+]=[N-])no1 42390451 VSULVOALXRHGHB-UHFFFAOYSA-N 139.118 1.188 10 10 ADCE C[C@@H](c1ccccc1O)N(C)O 82852658 YOCFRNVDRMDFHL-ZETCQYMHSA-N 167.208 1.774 10 10 ADCE COc1cc(C)c(N(C)C)c(C)c1N 83224895 TYRKYWNSQCWWBQ-UHFFFAOYSA-N 194.278 1.960 10 10 ADCE CC(=O)c1cc(Cl)cc(CN)c1O 87567897 FMYONNPUVLTLSQ-UHFFFAOYSA-N 199.637 1.707 10 10 ADCE C[C@](N)(c1ccccc1O)C1CC1 107165805 LONPSBKRXIZVOT-LLVKDONJSA-N 177.247 1.976 10 10 ADCE CCc1ccc(OC)c(O)c1CNC 213865811 FRJDCQJUHLIUHF-UHFFFAOYSA-N 195.262 1.683 10 10 ADCE CC1(N=[N+]=[N-])O[C@H]2CC[C@@H]2O1 238238615 NCFALWLANVYFFH-WHFBIAKZSA-N 155.157 1.548 10 10 ADCE Cc1cccc([C@@H](N)CF)c1O 238543094 QUEZFVVPHHNKBA-QMMMGPOBSA-N 169.199 1.670 10 10 ADCE CC(C)[C@@H](N)c1cc(O)nc(O)c1 238791611 YZOXUWVXRCAPRH-SECBINFHSA-N 182.223 1.149 10 10 ADCE Cn1cc2c3c(c(O)ccc31)CNC2 257864645 RVDPUOLAKJOZIY-UHFFFAOYSA-N 188.230 1.487 10 10 ADCE Nc1ccc(N)c2c(O)csc12 307026741 KJLIOOZJFJJEOZ-UHFFFAOYSA-N 180.232 1.771 10 10 ADCE Nc1ccc(CN=NCCO)cc1 382595868 ICVBMCRTCUAICO-UHFFFAOYSA-N 179.223 1.213 10 10 ADCE CN(C)N=Nc1ccc(CCN)cc1 393712215 SUMNATLTPVLSQU-UHFFFAOYSA-N 192.266 1.748 10 10 ADCE [N-]=[N+]=NC[C@H]1CCN([C@H]2CCOC2)C1 885814341 CMXCFHKBUFHWSP-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE C[C@@H](CCN)c1ccc(O)c(O)c1O 1535836432 SOZZQJJRUCSSFJ-LURJTMIESA-N 197.234 1.256 10 10 ADCE CC=CC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 1884647167 UHLFSHPQLVECNY-MRVPVSSYSA-N 194.238 1.864 10 10 ADCE Nc1ccc(NC[C@@H]2CCNC2)cc1 1888905557 QENPDSMNLIGVIJ-SECBINFHSA-N 191.278 1.290 10 10 ADCE CN(CCN=[N+]=[N-])CCC1CC(O)C1 1892853385 HHLZUXGVGFVOEJ-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC[C@H]2CC[C@H]1C2 1932265821 GWXUMYLXTKITJI-WCABBAIRSA-N 196.246 1.086 10 10 ADCE C[C@]1(CO)C[C@@H]1c1cccc(O)c1O 1951969383 QIDNXILKQYDLHL-LDYMZIIASA-N 194.230 1.584 10 10 ADCE C[C@@H]1C[C@H](N)CCN1CCN=[N+]=[N-] 1954206055 AAUIBTBLDPZPEB-HTQZYQBOSA-N 183.259 1.108 10 10 ADCE C[C@@H]1[C@H](N)CCCN1CCN=[N+]=[N-] 1954206721 LCLSNXLDALDQDD-HTQZYQBOSA-N 183.259 1.108 10 10 ADCE COc1cc(CN=[N+]=[N-])cc(=N)[nH]1 2242462811 HRLJJTOFLMCQNU-UHFFFAOYSA-N 179.183 1.313 10 10 ADCE CC[C@@H](C)[C@@H](CO)N=[N+]=[N-] 200196744 PRAYPZJGCOTWFG-PHDIDXHHSA-N 143.190 1.704 10 10 ADCE CN[C@@H](C)c1cccc(F)c1O 211774220 ODZNVRDUZXGNGY-LURJTMIESA-N 169.199 1.812 10 10 ADCE C[C@H](N)c1cc(O)c(O)cc1[N+](=O)[O-] 211781974 PJXLGMZKDSEGGU-BYPYZUCNSA-N 198.178 1.026 10 10 ADCE COC(=O)c1cccc(CN=[N+]=[N-])n1 229214459 IITYMGSIQBGFBH-UHFFFAOYSA-N 192.178 1.679 10 10 ADCE Nc1ccc(CCc2ncno2)cc1 230716624 YUZPESCOEFRPAT-UHFFFAOYSA-N 189.218 1.437 10 10 ADCE C[C@@H](O)/N=N/C(C)(C)C 232609149 GLBXOGZFDQPRAC-NHMFUHOKSA-N 130.191 1.575 10 10 ADCE Nc1cnc(Sc2ncc[nH]2)s1 236358833 CKUIGIKGLCRZGY-UHFFFAOYSA-N 198.276 1.600 10 10 ADCE CCN1C(=O)/C(=C\O)SC1=S 238287779 HVHFTHHDDNPUPH-ONEGZZNKSA-N 189.261 1.266 10 10 ADCE COC(=O)[C@@H]1CC[C@H](CN=[N+]=[N-])O1 238338367 WDJWHSLMTIZCNP-RITPCOANSA-N 185.183 1.017 10 10 ADCE C[C@@H](CCC(=O)O)CN=[N+]=[N-] 238416391 JMYHTLFLAJWRTE-YFKPBYRVSA-N 157.173 1.798 10 10 ADCE O=C1N[C@@H]2c3cocc3C[C@@H]2/C1=C/O 238610221 UYXVEFFVKIZAIG-GPJHVUFESA-N 191.186 1.065 10 10 ADCE Oc1csc([C@@H]2CCCN2)c1 238694859 VIYYXCRZLPSSHX-ZETCQYMHSA-N 169.249 1.878 10 10 ADCE C/C(=C/c1ccc(O)c(O)c1)[C@H](C)N 308444119 MLHHHKCVGJKEBL-TVSKSKRASA-N 193.246 1.848 10 10 ADCE Oc1ccc(CNCCCF)cc1O 308517706 GCGLOQAJCVMWQB-UHFFFAOYSA-N 199.225 1.547 10 10 ADCE COC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](OC)C1 388965819 PJJPXZIZFAQCON-FSDSQADBSA-N 199.210 1.263 10 10 ADCE COCc1cc(CN)c(O)cc1C 642879472 ORDXAYHEGIIYAP-UHFFFAOYSA-N 181.235 1.306 10 10 ADCE CO[C@@H]1CCC[C@H]1N(C)CCN=[N+]=[N-] 687461607 MVSYUBIPEPAITR-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CCOC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692885585 NTYOJEFNNOOZPO-SSDOTTSWSA-N 198.226 1.918 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H](CF)C1 711519560 PVVPRITVULFNIV-QMMMGPOBSA-N 186.234 1.978 10 10 ADCE CC(C)(O)[C@H]1CCN(CCN=[N+]=[N-])C1 721885764 GXAOODPHEKHJRW-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE C[C@H]1N[C@@H](CN=[N+]=[N-])OC1(C)C 885319174 PDTWCTQHCKSIGS-PHDIDXHHSA-N 170.216 1.410 10 10 ADCE COc1cc(C2(O)CC2)cc(O)c1O 1535813791 HLRUYWDEIZZJBN-UHFFFAOYSA-N 196.202 1.088 10 10 ADCE COC[C@@H](C)CN1CC(N=[N+]=[N-])C1 1883822071 STEVWTZTXNMIKM-ZETCQYMHSA-N 184.243 1.263 10 10 ADCE CN(C[C@H]1CCN1)c1ccc(N)cc1 1888922546 GSWICYSAOJBGLC-SNVBAGLBSA-N 191.278 1.067 10 10 ADCE COC[C@]1(C)CCCN1CCN=[N+]=[N-] 1904225852 WWVWUEHACFBGRY-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CO[C@@H]1CCN(CCCN=[N+]=[N-])[C@H]1C 1912146039 OQRHMICRHGSULO-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE COC(=O)C=CCc1ccc(N)cc1 1951352860 GJAWCLBMDVMEDS-UHFFFAOYSA-N 191.230 1.541 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cc(O)ccn1 1951600037 HAARQSYHPBOYCE-ZETCQYMHSA-N 180.167 1.131 10 10 ADCE Nc1ccc(N2CC3(F)CC2C3)cc1 1956496918 FHQIZYATJIJGNY-UHFFFAOYSA-N 192.237 1.960 10 10 ADCE CC1(C)C[C@@H](O)CCN1CCN=[N+]=[N-] 1956752891 XPSNUQMRHXFURI-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE Nc1ccccc1NC1[C@H]2COC[C@H]12 1957280939 NSWNKIPWRBPGTE-YUMQZZPRSA-N 190.246 1.326 10 10 ADCE C[C@H]1CCN1C(=O)N(C)CCN=[N+]=[N-] 2241326029 PQQPZSIHMPESPT-ZETCQYMHSA-N 197.242 1.443 10 10 ADCE O=C1N[C@H](c2ccccc2O)CCO1 95693315 MMOPSOWUMBIZSO-QMMMGPOBSA-N 193.202 1.563 10 10 ADCE CCC[C@H](C)NC(=O)[C@@H](C)N=[N+]=[N-] 104701809 RGUZZZXYILSBNI-NKWVEPMBSA-N 184.243 1.990 10 10 ADCE C[C@@H]1Cc2cc(O)c(O)cc2N1 117404613 LBXOUAMJMPYLPK-RXMQYKEDSA-N 165.192 1.454 10 10 ADCE CN(C)c1ccc(/C=C/NC=O)cc1 169335681 GWWSDFOQIDUTTK-BQYQJAHWSA-N 190.246 1.469 10 10 ADCE CC(=O)c1sc(C=O)cc1O 238162472 UTDKBCROOQIPEP-UHFFFAOYSA-N 170.189 1.469 10 10 ADCE CC(=O)N[C@@H](C)c1cccc(C)c1O 238432101 VAEPXVMVGNNUHA-QMMMGPOBSA-N 193.246 1.898 10 10 ADCE COC[C@H]1CNCc2c(O)cccc21 257818319 FCQNDMOGTDSHQB-MRVPVSSYSA-N 193.246 1.225 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2C[C@H]2C1 699249298 YWKPYZSTXURDET-SFYZADRCSA-N 166.228 1.639 10 10 ADCE C[C@@H](CCCN)Oc1ccc(N)cc1 1896269379 UEFACBCKKGEYOU-VIFPVBQESA-N 194.278 1.775 10 10 ADCE COCCN1CCC[C@H](N=[N+]=[N-])CC1 1934381252 PXQAUPRQKCPUSM-VIFPVBQESA-N 198.270 1.798 10 10 ADCE Oc1ccc(C[C@@H](O)C2CC2)cc1O 1951373489 CCWYNTNXAXRJGZ-SNVBAGLBSA-N 194.230 1.411 10 10 ADCE COc1cccc(O)c1C(=O)C(C)=O 1951524094 KCGCNBHKFBFSLV-UHFFFAOYSA-N 194.186 1.173 10 10 ADCE [N-]=[N+]=NC[C@]1(F)CCCNC1 1953229126 NCUKNXQGIGUCRX-LURJTMIESA-N 158.180 1.388 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCCCNC1 1957243717 HCVQHYFVIFHKSA-VIFPVBQESA-N 197.286 1.371 10 10 ADCE Nc1sc2c(c1O)COC2 84228068 ALWSXTPYBUAMMJ-UHFFFAOYSA-N 157.194 1.066 10 10 ADCE Cc1ccc([C@@H]2COC(=O)N2)c(O)c1 95686125 RDUFYYLEZBNSIA-QMMMGPOBSA-N 193.202 1.482 10 10 ADCE CN(C)Cc1ccc(O)c(O)c1 108239147 UKBJPGDUWHCWPQ-UHFFFAOYSA-N 167.208 1.159 10 10 ADCE CC(C)c1cc(O)c(C(=O)CN)s1 108311080 WZKHWJOQPSTDHX-UHFFFAOYSA-N 199.275 1.719 10 10 ADCE COCC[C@H](C)N=[N+]=[N-] 162449945 ONQLQSZVVNMCMI-YFKPBYRVSA-N 129.163 1.722 10 10 ADCE O=C(O)C(=S)Cc1ccccc1O 198562181 YQARDXWJVFZHHB-UHFFFAOYSA-N 196.227 1.389 10 10 ADCE CN[C@@H](C)c1cccc(O)c1O 211777664 XNGBBEKBADJNTO-LURJTMIESA-N 167.208 1.378 10 10 ADCE C[C@@H]1CCC[C@H]1C(=O)NCCN=[N+]=[N-] 226696697 OUDMMOZWNIUKDF-HTQZYQBOSA-N 196.254 1.849 10 10 ADCE C[C@H]1CN[C@](C)(c2ccccc2O)O1 238445620 PQYCAMIXFUDNRW-KWQFWETISA-N 193.246 1.573 10 10 ADCE N[C@@H](c1ccccc1O)[C@@H]1CCOC1 257901547 YVQUDKCUMMVZPW-LDYMZIIASA-N 193.246 1.429 10 10 ADCE CC[C@](C)(CN)c1ccn(C)c(=O)c1 306410913 MJAAELQMPPHRTB-LLVKDONJSA-N 194.278 1.012 10 10 ADCE CO[C@H]1CCC[C@@H]1N(C)CCN=[N+]=[N-] 687461604 MVSYUBIPEPAITR-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CO[C@@H]1C[C@@H]1CN1CC(N=[N+]=[N-])C1 1882813188 LEQIMEIFLLINQX-HTRCEHHLSA-N 182.227 1.016 10 10 ADCE CCN(C[C@@H](C)N)c1ccc(N)cc1 1888912482 GSDNFGNXWGVLTJ-SECBINFHSA-N 193.294 1.442 10 10 ADCE [N-]=[N+]=NC1CN(CCC2CC(O)C2)C1 1892854391 XTFBXZHUVRIVLY-UHFFFAOYSA-N 196.254 1.142 10 10 ADCE CN[C@H](C)CCOc1ccc(N)cc1 1896303414 XXABNXKGVQGLCD-SECBINFHSA-N 194.278 1.646 10 10 ADCE CC(=CO)C(=O)OC(C)(C)C 1911537280 RDMFADXDQPSFBU-UHFFFAOYSA-N 158.197 1.790 10 10 ADCE [N-]=[N+]=NCCN1CC2(CCOC2)C1 1912208345 TUJYAMGXQOWFBU-UHFFFAOYSA-N 182.227 1.019 10 10 ADCE C[C@@H]1CCC[C@@H]([C@@H]2CCC(=O)C2=O)N1 1932574181 VZQHTCUZIPLCFN-VGMNWLOBSA-N 195.262 1.065 10 10 ADCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2CCC[C@@H]2C1 1934804878 XHMGGYBWQMKAOV-JZYVYDRUSA-N 196.246 1.086 10 10 ADCE CC(=O)C(=O)C1C(C)(C)C1(C)C 1951322587 NOCOFZHWEQJBFP-UHFFFAOYSA-N 168.236 1.827 10 10 ADCE C[C@H]1C[C@@H](C)N(CCN=[N+]=[N-])CCN1 1957251203 ZCGOSXZTFKLQOA-DTWKUNHWSA-N 197.286 1.369 10 10 ADCE CN(C)[C@H]1CCN(CCCN=[N+]=[N-])C1 62967755 SSBILCKRKHIBRR-VIFPVBQESA-N 197.286 1.323 10 10 ADCE C[C@H]1CC/C(=C/O)C(=O)O1 100208735 YCROPIXIXHPRKG-YIWIKUPCSA-N 142.154 1.154 10 10 ADCE CC1=CC(=S)CC=N1 100285525 RSOIPRXCCIOQPU-UHFFFAOYSA-N 125.196 1.735 10 10 ADCE [N-]=[N+]=NCN(CN=[N+]=[N-])[N+](=O)[O-] 104839839 OFWKWLKMLQNNQZ-UHFFFAOYSA-N 172.108 1.016 10 10 ADCE N[C@@H]1CCSc2cccc(O)c21 107169773 AWJPWXFYVWPJID-ZCFIWIBFSA-N 181.260 1.888 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@@H](C(=O)O)C1 167317360 ZKWIDUTVLWDRFG-NTSWFWBYSA-N 169.184 1.798 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@@H](C[N+](=O)[O-])C1 196734409 RMNYKGLFELZXJE-PHDIDXHHSA-N 168.156 1.518 10 10 ADCE NCc1cc(Cl)c(O)c(F)c1O 214666369 APJJYMLZZXOMIH-UHFFFAOYSA-N 191.589 1.349 10 10 ADCE C[C@@H](N)c1cc(N)c(Cl)cc1O 238424499 RNZDJVDZMLHDGD-SCSAIBSYSA-N 186.642 1.648 10 10 ADCE C[C@@H](N)c1cc(O)cc(F)c1O 238425116 PQICVJOUSRBVCK-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE [N-]=[N+]=N[C@H]1CS[C@H]2CCC(=O)N[C@H]21 238605287 BOJFTZAKBIVDIB-VPLCAKHXSA-N 198.251 1.059 10 10 ADCE C=Cc1ccc(O)c2c1CC[C@H]2N 238629933 HFKNBDYCFBYQPL-SECBINFHSA-N 175.231 1.981 10 10 ADCE Oc1cccc(O)c1[C@@H]1CCN1 238725180 XHFLRIDXXLJOFN-LURJTMIESA-N 165.192 1.132 10 10 ADCE C/C=C\[C@](C)(CO)N=[N+]=[N-] 394927171 GSBOAFWFMAZOFC-KGJQDRRLSA-N 141.174 1.624 10 10 ADCE CCN(CCN=[N+]=[N-])CC1CN(C)C1 692665747 XQHJCQFQYWLABM-UHFFFAOYSA-N 197.286 1.180 10 10 ADCE COc1ccc(CN=[N+]=[N-])cn1 1535831972 BUTAFSKYERFDCI-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE C[C@H](N)CC=Cc1ncc(Cl)n1C 1886498652 STIGBPVQQYIKHQ-ZETCQYMHSA-N 199.685 1.824 10 10 ADCE CC(=O)C(=O)[C@H](O)C1(C)CCCC1 1929197998 AZDCAVDTIVKDTJ-VIFPVBQESA-N 184.235 1.086 10 10 ADCE Oc1cccc(C=C2CNC2)c1O 1951593048 SAZBWAMHOFDCLS-UHFFFAOYSA-N 177.203 1.084 10 10 ADCE COCCc1nsc(CN=[N+]=[N-])n1 1954395532 KXKFFVIDEBDFSG-UHFFFAOYSA-N 199.239 1.537 10 10 ADCE C[C@@H]1C[C@H](N)CCN1CCCN=[N+]=[N-] 1957251077 XCKKFVNEDXWFAL-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1CCCO1 42470454 CWWIDFOGGRMEFW-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@H](O)CN(C)c1ccc(N)cc1 51819565 OPBIJZZLCWOWFJ-QMMMGPOBSA-N 180.251 1.086 10 10 ADCE COc1ccc(C(=O)C=[N+]=[N-])cc1C 84451856 AKOFIRYOJVOFHV-UHFFFAOYSA-N 190.202 1.487 10 10 ADCE CC[C@@](C)(NCCN=[N+]=[N-])C(=O)O 85223657 GUSRSDQSBQGHND-SSDOTTSWSA-N 186.215 1.140 10 10 ADCE [N-]=[N+]=N[C@@H]1CCO[C@]2(CCOC2)C1 86905950 BWRGXWWDDQIRNO-HTQZYQBOSA-N 183.211 1.635 10 10 ADCE COc1ccc(N(C)C)cc1O 90548101 LORNBCIETCHTAI-UHFFFAOYSA-N 167.208 1.467 10 10 ADCE CCN(CC)C(=O)[C@@H](C)N=[N+]=[N-] 104701839 OHXLYNQLHMRSCA-ZCFIWIBFSA-N 170.216 1.554 10 10 ADCE [C-]#[N+]c1ccc(N)cc1 106562138 CBJLBXCGJVTODE-UHFFFAOYSA-N 118.139 1.820 10 10 ADCE CC(C)(C)[C@@H](O)[C@H](CO)N=[N+]=[N-] 197047392 AJNVJDCSINPEGD-WDSKDSINSA-N 173.216 1.065 10 10 ADCE Cc1cc(C)c(C=S)[nH]1 217551445 YVBXLMBJSXLMKC-UHFFFAOYSA-N 139.223 1.979 10 10 ADCE Oc1cccc2c1CN[C@H]2C1CC1 221265398 KHQCCTAHOOFVRT-NSHDSACASA-N 175.231 1.947 10 10 ADCE CC(=O)CC[C@@H](C)C(=O)C(C)=O 238408060 NDBDNGKMQJFHII-ZCFIWIBFSA-N 170.208 1.150 10 10 ADCE CSc1cc(O)c(C=O)s1 238408131 JAMVIWJSSTVSJH-UHFFFAOYSA-N 174.246 1.988 10 10 ADCE C[C@@H]1C[C@@]1(N=[N+]=[N-])C(=O)O 238444628 BZQUNYSPSBSBDC-WUJLRWPWSA-N 141.130 1.160 10 10 ADCE Nc1cccc([C@@H](N)C2CCC2)c1O 238587257 IBVXUBWXDURNFJ-JTQLQIEISA-N 192.262 1.774 10 10 ADCE N[C@H](CF)c1ccc(F)c(F)c1O 306605337 FWWWUSZFCNCAGW-ZCFIWIBFSA-N 191.152 1.640 10 10 ADCE CCOC1CN(CCCN=[N+]=[N-])C1 383044252 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CCN(CC)Cc1c(N)cccc1O 59859377 FUONVZULSRTEPD-UHFFFAOYSA-N 194.278 1.816 10 10 ADCE Nc1ccccc1N[C@@H]1CCCOC1 71012055 JAAPPHGOBPFHLJ-SECBINFHSA-N 192.262 1.860 10 10 ADCE C[C@@H](c1ccc(F)cc1O)N(C)O 82877791 HUVSXESRKNZJIP-LURJTMIESA-N 185.198 1.913 10 10 ADCE CC(C)[C@@H](N)c1ccc(O)c(O)c1 84336177 GBUOEVRZVLZBDG-SNVBAGLBSA-N 181.235 1.754 10 10 ADCE O=C1OC[C@@H](c2ccccc2)/C1=C/O 169619023 OESUMQMCVLDSHF-MBACFSSFSA-N 190.198 1.769 10 10 ADCE C[C@@H](N)c1c(N)ccc(F)c1O 238415556 OFHHISBZVZSLJD-SCSAIBSYSA-N 170.187 1.133 10 10 ADCE N[C@@H]1CCC[C@@H]1c1ccc(O)c(O)c1 238586855 LYHCKAGTEYIZJA-RKDXNWHRSA-N 193.246 1.693 10 10 ADCE Cc1c([C@@H](C)CO)cc(O)c(O)c1C 258047597 KGHAROYDGJGOFF-LURJTMIESA-N 196.246 1.810 10 10 ADCE CC[C@@H](NO)c1cc(F)ccc1O 306253535 NGHGQIJVCCUHAH-MRVPVSSYSA-N 185.198 1.961 10 10 ADCE CC(=O)C(=O)CSc1ccncc1 388619365 DXNYKFZJOCHUIY-UHFFFAOYSA-N 195.243 1.332 10 10 ADCE CN(CCN=[N+]=[N-])Cc1ccns1 404435721 RJOLYOAQDJFWDC-UHFFFAOYSA-N 197.267 1.885 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H](C)C1O 688113718 CXONDAIPXDHKII-YUMQZZPRSA-N 198.270 1.245 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCC[C@@H]1O 708217802 XBXRUMDYGXTELM-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2C[C@@H]2CO1 1880237184 KZXANZTURSSMLE-XVMARJQXSA-N 153.185 1.722 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CC[C@@H]1O 1885288786 XUZVDJFGZVLUMB-HLTSFMKQSA-N 196.254 1.284 10 10 ADCE CN(CCN=[N+]=[N-])Cc1ccnnc1 1906757572 SBPUSAFZGOIDFC-UHFFFAOYSA-N 192.226 1.219 10 10 ADCE C[C@@H]([C@H](N)c1ccccc1O)N(C)C 1931440346 PZHOZXNVOMTPLT-KWQFWETISA-N 194.278 1.342 10 10 ADCE C[C@]1(CN)C[C@H]1c1ccc(O)c(O)c1 1952238172 YQAIBINABLTOAR-GZMMTYOYSA-N 193.246 1.550 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@H]1CCNC1 1957246920 IGXZJUYKQCLOLE-VIFPVBQESA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCCCN1CCCC[C@H]1CN 1957247445 QTBDWKJGXVAUMO-VIFPVBQESA-N 197.286 1.500 10 10 ADCE C[C@]1(O)C[C@H]2[C@@H]1CCN2CCN=[N+]=[N-] 2209466059 DJESSQMEKKIVGX-CIUDSAMLSA-N 196.254 1.142 10 10 ADCE CC1(C)COC[C@H]1CN=[N+]=[N-] 2297005104 ZPSSREBWQWGQBM-ZCFIWIBFSA-N 155.201 1.969 10 10 ADCE CCc1ccc(O)c(CN)c1 29218441 PCYIITXUFGYKET-UHFFFAOYSA-N 151.209 1.413 10 10 ADCE CC[C@H](N)c1cc(OC)ccc1O 71455047 NBBHZBBXSIIXGL-VIFPVBQESA-N 181.235 1.811 10 10 ADCE CCN(C)c1ccc(CN)cc1N 82634848 NLKWBINTTABNJT-UHFFFAOYSA-N 179.267 1.184 10 10 ADCE CC[C@H](C)N1C(N)=NC[C@@H]1CN=[N+]=[N-] 86474449 WCMPXNZCSTWNFX-NKWVEPMBSA-N 196.258 1.094 10 10 ADCE Cc1ccc(O)c(O)c1C(=O)O 142532432 XVFMTWMMWSPTEU-UHFFFAOYSA-N 168.148 1.104 10 10 ADCE CCn1cc([C@@H](O)CN=[N+]=[N-])cn1 215853547 KDLPFYGECAVFOY-ZETCQYMHSA-N 181.199 1.247 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H]2O[C@H]21 219299498 SMBBIZYSPWOUQK-WISUUJSJSA-N 125.131 1.227 10 10 ADCE O=C1c2cc[nH]c2C(=O)c2cccnc21 231548441 JTDJJOODXLJPAH-UHFFFAOYSA-N 198.181 1.185 10 10 ADCE CCCCN(CN=[N+]=[N-])N(C)C 238210974 ANAXJIUCPJMZNY-UHFFFAOYSA-N 171.248 1.833 10 10 ADCE CN[C@H](C)c1cc(F)c(F)cc1O 238331271 LASCWDIHTFWQAH-RXMQYKEDSA-N 187.189 1.951 10 10 ADCE Cc1cc([C@H](C)O)c(F)c(O)c1O 258061837 LMEAISCZWDURCA-YFKPBYRVSA-N 186.182 1.599 10 10 ADCE Cc1ccc(N)c(O)c1[C@@H](N)CF 307149235 QVXNYEKMDLATLS-ZETCQYMHSA-N 184.214 1.252 10 10 ADCE CN1CCCC[C@@H]1[C@H](CO)N=[N+]=[N-] 1535778507 KLSYAYTZRHMLTE-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE CC[C@@](O)(C(=O)C(C)=O)[C@H]1CC1(C)C 1929188402 UGAQIOPXTLYIDA-KWQFWETISA-N 198.262 1.332 10 10 ADCE CCC1(C(=O)NCCN=[N+]=[N-])CCC1 1935468251 URCYMCUQPQVXCE-UHFFFAOYSA-N 196.254 1.993 10 10 ADCE CNc1cnc(CN=[N+]=[N-])cn1 1953643524 GOLCWYVVKSPXLV-UHFFFAOYSA-N 164.172 1.329 10 10 ADCE C[C@@]1(C(F)F)CO[C@@H](CN=[N+]=[N-])N1 1954537354 AJZIMXRGMRPFLP-NJGYIYPDSA-N 192.169 1.266 10 10 ADCE [N-]=[N+]=NCCN1CC2(CCC[C@@H]2N)C1 1957242838 BJRKPWKUQBQWGI-QMMMGPOBSA-N 195.270 1.110 10 10 ADCE C[C@@H](C1CNC1)N(C)CCCN=[N+]=[N-] 1957245539 YHPMOBLSXJVZOE-QMMMGPOBSA-N 197.286 1.227 10 10 ADCE CCc1c(C(=O)OC)ccc(O)c1O 2060205067 PUTYTNORDWXAPZ-UHFFFAOYSA-N 196.202 1.447 10 10 ADCE C[C@@H](CF)N(C)CCCN=[N+]=[N-] 2241733684 DQIQRQJOQWTAHD-ZETCQYMHSA-N 174.223 1.977 10 10 ADCE Cc1cc[n+](Cc2ccc(N)cc2)cc1 31974060 VWFOEJPBDAQICX-UHFFFAOYSA-N 199.277 1.913 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H](C)COC 42779859 WXBVWHVLGMLJSV-QMMMGPOBSA-N 186.259 1.654 10 10 ADCE CNC[C@H](C)Sc1nccs1 53647030 WYZDGBUPKVLBAS-LURJTMIESA-N 188.321 1.843 10 10 ADCE CO[C@@H]1CC[C@@H](N=[N+]=[N-])CO1 90548193 REAIPRSWNIYKFI-RITPCOANSA-N 157.173 1.448 10 10 ADCE CN(C)c1ccc2c(c1)[C@H](N)CCO2 104675490 QBWOOFLEESICOA-SNVBAGLBSA-N 192.262 1.535 10 10 ADCE CNCCc1sc(C)cc1O 108289601 ORYALIXVIXCZGC-UHFFFAOYSA-N 171.265 1.524 10 10 ADCE [N-]=[N+]=N[C@@H](O)Cc1ccccc1 144567296 XAVURYHYMDEQRX-QMMMGPOBSA-N 163.180 1.858 10 10 ADCE Cc1ccc([C@@H](C)N)c(O)c1O 212280156 FNONIZPPOJODRG-ZCFIWIBFSA-N 167.208 1.426 10 10 ADCE O=C1CCOc2ccc(O)c(O)c21 230461880 YWCRTOQATVKHKD-UHFFFAOYSA-N 180.159 1.063 10 10 ADCE CN[C@@H](C)/C=C/c1ccc(O)c(O)c1 231755860 DDCAPABFYCBVME-RTMURIBGSA-N 193.246 1.719 10 10 ADCE Cc1ccc(C2(N)CC2)c(O)c1C 258031032 PCLRTUZIVDQKHH-UHFFFAOYSA-N 177.247 1.957 10 10 ADCE [N-]=[N+]=N/C=C1\CCCOC1=O 306269825 MXSFZYWSWYNWNR-SNAWJCMRSA-N 153.141 1.518 10 10 ADCE CC[C@H](O)[C@@H](C)Nc1ccccc1N 306678351 AJBIPBDPKOOCGX-KCJUWKMLSA-N 194.278 1.840 10 10 ADCE CC(=O)C(=O)[C@H]1CC1(C)C 307183580 PQGIPDFSTUNLQQ-ZCFIWIBFSA-N 140.182 1.191 10 10 ADCE CCNCc1c(O)cccc1OC 308241215 SUEAGEQZQBXKLN-UHFFFAOYSA-N 181.235 1.510 10 10 ADCE CCSCCOC(=O)/C(C)=C\O 388073237 KMBXXELJEVACJM-SREVYHEPSA-N 190.264 1.745 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H]1CCO 388708495 QICBLONJXCQALB-VIFPVBQESA-N 198.270 1.534 10 10 ADCE CN(CCCF)c1ccc(CO)cc1 716818958 NFQASHXYPBSTLD-UHFFFAOYSA-N 197.253 1.975 10 10 ADCE [N-]=[N+]=NCc1c(O)cc(O)cc1O 1535671086 QCVAMACWMSDFGO-UHFFFAOYSA-N 181.151 1.614 10 10 ADCE [N-]=[N+]=NC[C@@]12CC[C@@](C(=O)O)(CO1)C2 1888266127 YBERONPJOYHJTH-YUMQZZPRSA-N 197.194 1.321 10 10 ADCE CN[C@@H]1CCCN(CCN=[N+]=[N-])CC1 1888936643 MJGAMSOPKZMITG-SECBINFHSA-N 197.286 1.371 10 10 ADCE CN(c1ccc(N)cc1)C1(C)COC1 1907523440 AMXUCNOXXAZDES-UHFFFAOYSA-N 192.262 1.494 10 10 ADCE CC[C@H](C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912164417 ATBQUNVCUBXIFN-YUMQZZPRSA-N 196.254 1.944 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@@H](C)C[C@@H](C)C1 1929141759 SCDTWPNDYKUGKV-AKZRSSKFSA-N 198.262 1.332 10 10 ADCE CC(C)(Cc1ccc(O)c(O)c1)ON 1951473803 QWVXNRNYLHDQSM-UHFFFAOYSA-N 197.234 1.309 10 10 ADCE C[C@H]1CC[C@H]1C(=O)N(C)CCN=[N+]=[N-] 2209766073 CBLRXVBLTXERQU-JGVFFNPUSA-N 196.254 1.801 10 10 ADCE CC(=O)C(=O)c1ccc2c(c1)OCO2 33952518 FGXKZQWZZVCYBF-UHFFFAOYSA-N 192.170 1.187 10 10 ADCE C[C@H](N)[C@@H](C)Sc1nccs1 81889610 VHGYBBZYBZBRFH-NTSWFWBYSA-N 188.321 1.971 10 10 ADCE CN1CCOc2cccc(O)c2C1 107167160 JNYSDAQOMYYICS-UHFFFAOYSA-N 179.219 1.216 10 10 ADCE COC(=O)/C(=C/O)c1ccc(F)cc1 140662456 TXTDVRNCZMFXTP-RMKNXTFCSA-N 196.177 1.898 10 10 ADCE CC(=O)C(=O)CSc1ccoc1C 145645345 QUZDTVCTBNIIIT-UHFFFAOYSA-N 198.243 1.838 10 10 ADCE COc1cc(O)c2c(c1)CCN[C@@H]2C 213702040 VESZPWKLDQSAIC-SSDOTTSWSA-N 193.246 1.608 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H](N)[C@H](F)C1 218776514 ISPWFWYFAIGLAD-VPENINKCSA-N 144.153 1.125 10 10 ADCE C[C@@H](CN(C)C)N=[N+]=[N-] 238391022 PGYVGGIOKGQGTG-YFKPBYRVSA-N 128.179 1.247 10 10 ADCE Nc1cc(O)c2c(c1)CCC[C@H]2N 238607288 MYQGVVPEROKLNQ-MRVPVSSYSA-N 178.235 1.311 10 10 ADCE Oc1cccc(C2CCNCC2)c1O 238677527 XNRBAEZFAFLVEZ-UHFFFAOYSA-N 193.246 1.565 10 10 ADCE Cc1c(C(C)(C)O)cc(O)c(O)c1C 258179009 WKBBEZHXUZWIAZ-UHFFFAOYSA-N 196.246 1.942 10 10 ADCE OCc1sc2cccc(O)c2c1O 306799096 FHYQKQSRSGNWSN-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE C[C@@H]1COC[C@@H]1Nc1ccccc1N 699495498 ABDWOLQPSKTKKZ-KCJUWKMLSA-N 192.262 1.716 10 10 ADCE CCCN1CC[C@@H](NC)[C@@H]1CN=[N+]=[N-] 712011930 PRMYQDAFGISEEK-BDAKNGLRSA-N 197.286 1.369 10 10 ADCE CC(C)C1=C=C=C=C=C1[C-](O)NN=N 885540566 COHIIFYIKRSWHD-UHFFFAOYSA-N 188.210 1.971 10 10 ADCE Cc1cc(CN=[N+]=[N-])nnc1C 1880995090 GEALPXXHGOOVCO-UHFFFAOYSA-N 163.184 1.904 10 10 ADCE CC(=O)C(=O)c1cccc(F)c1F 1951322324 CARNGQBRWURMEW-UHFFFAOYSA-N 184.141 1.737 10 10 ADCE CC[C@H](COC)N(C)CCN=[N+]=[N-] 1953784506 UGMAZMFGMFLNMP-MRVPVSSYSA-N 186.259 1.654 10 10 ADCE CNC(=O)CCCc1ccc(N)cc1 49806897 GESPGMNTTDRCPN-UHFFFAOYSA-N 192.262 1.338 10 10 ADCE CCNCC/C=C/c1nccn1C 86571407 HINKBMKGXCQQRP-GQCTYLIASA-N 179.267 1.433 10 10 ADCE CC[C@@H](N)c1c(O)cccc1OC 95669152 AWMXKABHNKOGPD-SSDOTTSWSA-N 181.235 1.811 10 10 ADCE CN(C)c1ccc2c(c1)C(=O)CCO2 104498542 IKYVXBQTFFTRDI-UHFFFAOYSA-N 191.230 1.718 10 10 ADCE CCC[C@@H](N)c1cc(CN)ccc1O 104510076 LAHVEDTUKUKMCG-SNVBAGLBSA-N 194.278 1.651 10 10 ADCE CON[C@@H](C)c1cc(F)ccc1O 134240411 OFYVLJFLMDABKJ-LURJTMIESA-N 185.198 1.743 10 10 ADCE COC(OC)[C@H](C)N=[N+]=[N-] 196187550 HWJFCDJIMVLUQC-BYPYZUCNSA-N 145.162 1.304 10 10 ADCE CC(C)=C1[C@H]2CC[C@H]1C(=O)C2=O 197041116 NDKSSLNKEIVZOW-RNFRBKRXSA-N 164.204 1.501 10 10 ADCE Cc1cc(CN)c(O)c(F)c1O 213987490 NPBOWWOXAHXXRV-UHFFFAOYSA-N 171.171 1.004 10 10 ADCE CC[C@@H]1OC(=O)[C@@H](N=[N+]=[N-])[C@H]1OC 215994327 MGKGULWZBIHAJA-ZLUOBGJFSA-N 185.183 1.016 10 10 ADCE Oc1cccc2c1[C@@H](CF)NCC2 219591776 VJJDQNVBRNJQBS-MRVPVSSYSA-N 181.210 1.549 10 10 ADCE Cc1ccc2c(c1O)[C@@H](N)CC2 238493432 BHNXYDWYKQTUTI-QMMMGPOBSA-N 163.220 1.647 10 10 ADCE Cc1c(O)c(O)c(C)c(C(=O)O)c1O 238535547 VXFVVAJGJOHUTO-UHFFFAOYSA-N 198.174 1.118 10 10 ADCE NCCc1c(Cl)ccc(O)c1O 258036023 JITORDQMAYUAGD-UHFFFAOYSA-N 187.626 1.252 10 10 ADCE CN(CCN=[N+]=[N-])CC1(C)COC1 702962080 ZPSOZUAHNFQOMI-UHFFFAOYSA-N 184.243 1.265 10 10 ADCE COc1ccc(O)c(C[N+](=O)[O-])c1 1535716470 ZINYXYPVASKVEW-UHFFFAOYSA-N 183.163 1.178 10 10 ADCE Nc1cnoc1-c1cccc(O)c1O 1535731391 SXLGPIXRDOPFCM-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1(F)CC1 1880124536 BGOIIMSQYJOBEB-BYPYZUCNSA-N 145.137 1.160 10 10 ADCE C[C@H](O)COCCc1ccc(N)cc1 1884367126 LSAFXIGHUDLQJM-VIFPVBQESA-N 195.262 1.209 10 10 ADCE CC1(C)C[C@H](CN2CC(N=[N+]=[N-])C2)O1 1888013758 KIJVFKGFDRHIKM-MRVPVSSYSA-N 196.254 1.548 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@H]2CCC[C@H]2O)C1 1912183806 UPQVDBBYTKCMPQ-HRDYMLBCSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@H]2OCC[C@@H]2O1 1953594447 WCOGCWAUUQXEPN-VQVTYTSYSA-N 169.184 1.243 10 10 ADCE CCNCCN(C)CCCN=[N+]=[N-] 1954206244 CTUXINGMSGYZNW-UHFFFAOYSA-N 185.275 1.228 10 10 ADCE CCCN[C@@H](CN)c1ccccc1O 1956188275 XHIIWHUJIKODKD-JTQLQIEISA-N 194.278 1.392 10 10 ADCE Nc1ccc(N2CC=C[C@H](O)C2)cc1 1956270498 AQUWBTPGOVYJSZ-NSHDSACASA-N 190.246 1.006 10 10 ADCE CO[C@H](C)CCN1CC[C@@H](N=[N+]=[N-])C1 1956341340 GQPNRXKSUVNOCY-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCCN1CCCC[C@@H]1CN 1957247444 QTBDWKJGXVAUMO-SECBINFHSA-N 197.286 1.500 10 10 ADCE [N-]=[N+]=NCc1ccccc1C(N)=O 42390373 KNIAZTCKTFEBEJ-UHFFFAOYSA-N 176.179 1.596 10 10 ADCE Cc1ccc(F)c(O)c1[C@@H](N)[C@H](C)O 95706761 JFNILVYSARRBLT-RCOVLWMOSA-N 199.225 1.220 10 10 ADCE Cc1ccc(O)c([C@@H](C)NN(C)C)c1 134145537 BPSAYHINFYLORJ-SECBINFHSA-N 194.278 1.828 10 10 ADCE [N-]=[N+]=N[C@@H](C(=O)O)C1CCCC1 147304753 VAVPIYLYUITNCR-ZCFIWIBFSA-N 169.184 1.940 10 10 ADCE CN1CC[C@H]1c1ccccc1O 212168066 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CN(C)c1ccc(CN)cc1Cl 62792829 HKZCWJBDLAVYNF-UHFFFAOYSA-N 184.670 1.865 10 10 ADCE CCc1ccc(C(=O)C=[N+]=[N-])cc1 78013237 WOYKNCARAAKJQH-UHFFFAOYSA-N 174.203 1.732 10 10 ADCE CNCc1c(O)cc(OC)cc1F 214402696 HYKCCLDCUKPOBV-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE Oc1cccc2c1CNCC[C@H]2F 219589345 OYPPUWGLHCPZGJ-SECBINFHSA-N 181.210 1.896 10 10 ADCE C/C(=C\C[C@H](N=[N+]=[N-])C(=O)O)CO 219695511 SILILJJDVGITDG-NWKRWUBRSA-N 185.183 1.079 10 10 ADCE N[C@@H]1CCOc2c(Cl)ccc(O)c21 238614418 SCQQIPIVTHSSHX-ZCFIWIBFSA-N 199.637 1.828 10 10 ADCE C[C@@H](O)Cc1cc(O)c(O)c(F)c1 258191986 XMTSXSJBYJMWAB-RXMQYKEDSA-N 186.182 1.160 10 10 ADCE CN/C=C1/C(=S)N(C(C)C)N=C1C 308007061 FQOYWCOAUCDCSJ-VMPITWQZSA-N 197.307 1.517 10 10 ADCE CCCN(CCN=[N+]=[N-])[C@H]1CCOC1 308458088 CFUDHKURUQZNNZ-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC1(C)C[C@H](CN=[N+]=[N-])O1 1880066064 CHUHWDARXPFDTE-RXMQYKEDSA-N 141.174 1.864 10 10 ADCE CCN1C[C@H]2C[C@H]1CN2CCN=[N+]=[N-] 1887156530 YZDBJMBEHKALIY-DTWKUNHWSA-N 195.270 1.075 10 10 ADCE CC(=O)C(=O)[C@](C)(O)CCC=C(C)C 1888334851 OUNKMNZSLAAQKK-LLVKDONJSA-N 198.262 1.642 10 10 ADCE CC(=O)C(=O)[C@](C)(O)[C@@H](C)C(C)C 1889136723 DVMCYCMVSSKWTN-OIBJUYFYSA-N 186.251 1.188 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1C=CCCC1 1912182435 BOANZLHJIWKVBG-MRVPVSSYSA-N 194.238 1.769 10 10 ADCE C[C@H](O)[C@@H](C)NCc1ccc(N)cc1 1929714255 XLBCYGKFILGCAE-BDAKNGLRSA-N 194.278 1.128 10 10 ADCE CCc1cc(N)cc(O)c1O 2055142840 XTTMGDPKKZXDJW-UHFFFAOYSA-N 153.181 1.242 10 10 ADCE CC(=O)c1c(C)c(O)c(O)c(O)c1O 75600228 ZYSXCUBXRONJMX-UHFFFAOYSA-N 198.174 1.020 10 10 ADCE Cc1cc(O)c(O)cc1CC(=O)O 82395529 VMGLRTNPJVXKJE-UHFFFAOYSA-N 182.175 1.033 10 10 ADCE C[C@H]1CCN1c1ccc(N)cc1 86678132 HTQXHCVUOZNMJJ-QMMMGPOBSA-N 162.236 1.867 10 10 ADCE COC(=O)c1ccc(F)c(O)c1O 90513352 MKJRJALSOXCYMX-UHFFFAOYSA-N 186.138 1.024 10 10 ADCE CN[C@H](C)c1cc([N+](=O)[O-])ccc1O 104520826 FYEIPGOGBMPGJV-ZCFIWIBFSA-N 196.206 1.581 10 10 ADCE CC(C)CCNC(=O)[C@@H](C)N=[N+]=[N-] 104701787 KWUGQIVVZJTUQJ-SSDOTTSWSA-N 184.243 1.848 10 10 ADCE CCC[C@@H](C)NC(=O)[C@H](C)N=[N+]=[N-] 104701813 RGUZZZXYILSBNI-RQJHMYQMSA-N 184.243 1.990 10 10 ADCE CN(c1ccc(N)cc1)C1COC1 107166482 YCXFXHSCFPYJMW-UHFFFAOYSA-N 178.235 1.104 10 10 ADCE Cc1cc(=O)c2cc(O)c(O)cc2o1 143838042 UAWJHVALCZPGTP-UHFFFAOYSA-N 192.170 1.513 10 10 ADCE COC(=O)[C@@H](CC(C)C)N=[N+]=[N-] 196792819 NSSVHBPPJAHSMD-ZCFIWIBFSA-N 171.200 1.884 10 10 ADCE NC[C@H]1CCCN1c1ccc(N)cc1 202204939 XJPJYFKZSRNEBA-LLVKDONJSA-N 191.278 1.196 10 10 ADCE CCOC(=O)/C=C/[C@H](N=[N+]=[N-])[C@@H](C)O 214302652 UUJGMQPHJPNTLV-ZVCMNORXSA-N 199.210 1.165 10 10 ADCE CC(=O)[C@](C)(CN=[N+]=[N-])N=[N+]=[N-] 238096916 JSPNTMUSTOXFIF-YFKPBYRVSA-N 168.160 1.955 10 10 ADCE CCC[C@H](CN=[N+]=[N-])C(N)=O 238229064 DQPIHOXCFISSNC-RXMQYKEDSA-N 156.189 1.198 10 10 ADCE CC[C@H](N)c1c(O)ccc(O)c1N 238309105 YQZMZXXWUBJKMU-YFKPBYRVSA-N 182.223 1.090 10 10 ADCE CN(C)c1ccc2c(c1)C(=O)C[C@@H]2N 238330963 OJCBBIAIJTVAHK-JTQLQIEISA-N 190.246 1.339 10 10 ADCE CCOC(=O)[C@@]1(N=[N+]=[N-])N=NC[C@@H]1C 238797836 OFLLOLHAWSEEHT-CAHLUQPWSA-N 197.198 1.658 10 10 ADCE CN1C(=O)CCc2c1ccc(O)c2O 257922884 NXPHJNALNGYSIT-UHFFFAOYSA-N 193.202 1.007 10 10 ADCE COc1ccc(C)c(O)c1C(C)(C)N 258080617 MZJXKDRZVDYKLZ-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE CC1CN(CCCN=[N+]=[N-])C1 698565617 SKZARSGEJCDNAW-UHFFFAOYSA-N 154.217 1.639 10 10 ADCE C[C@H](O)CCc1cccc(O)c1O 1535735556 MSPMSAQIVDAZEC-ZETCQYMHSA-N 182.219 1.411 10 10 ADCE CCN(CCN=[N+]=[N-])CC[C@H](C)O 1887717881 PDWQAGYNRIHDJI-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C[C@H]2C[C@H](O)C2)C1 1904760433 RLKVWTHJFDSKQH-CIUDSAMLSA-N 196.254 1.142 10 10 ADCE Cc1cnn(C)c1[C@@H](O)CN=[N+]=[N-] 1912192351 DYXGQCYWGIJENR-LURJTMIESA-N 181.199 1.072 10 10 ADCE [N-]=[N+]=NCCCN1CC2(CCOC2)C1 1912200741 KUMZBDNLKYOVLF-UHFFFAOYSA-N 196.254 1.409 10 10 ADCE CCn1cnnc1CN=[N+]=[N-] 1912206923 LOUAZJAHJSIDDE-UHFFFAOYSA-N 152.161 1.108 10 10 ADCE NN[C@@H](CC1CC1)c1ccccc1O 1928481457 WOHCZIVNUDEOMI-JTQLQIEISA-N 192.262 1.697 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1cncs1 1929805128 RNDSNELLVRAKNM-UHFFFAOYSA-N 190.209 1.142 10 10 ADCE C[C@@H](O)CCc1cc(O)c(O)c(O)c1 1951598353 LQRQBHDJMXQBIB-ZCFIWIBFSA-N 198.218 1.117 10 10 ADCE CN[C@@H](CF)c1ccc(O)c(O)c1 1952574798 PJYXFFAJQUPBPS-ZETCQYMHSA-N 185.198 1.328 10 10 ADCE NC[C@]1(F)C[C@@H]1c1ccc(O)c(O)c1 1952672171 TZMVPRGSQHUQPO-GMSGAONNSA-N 197.209 1.252 10 10 ADCE N[C@H]1C[C@H](Sc2nccs2)C1 1953252243 LNXBEUWEFJATIS-IZLXSQMJSA-N 186.305 1.725 10 10 ADCE Nc1ccc(CSCCO)cc1 36335952 KHLAINYLMVYHPR-UHFFFAOYSA-N 183.276 1.494 10 10 ADCE CCc1cc(CN=[N+]=[N-])n(C)n1 84261055 IVCPYHZDJHYBFD-UHFFFAOYSA-N 165.200 1.793 10 10 ADCE Cc1cnoc1C(=O)NCCN=[N+]=[N-] 85502660 YCHBFGUMDCNONK-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE Nc1c(O)c(O)c(F)c(F)c1F 212788188 SSICKYCLQTZTPZ-UHFFFAOYSA-N 179.097 1.097 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])[C@@H](C)CO1 218113990 HEXVSLXJTAXODK-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE CC(=O)c1cc(O)c(O)c(F)c1 222734377 NBDNLZHAPCLZCJ-UHFFFAOYSA-N 170.139 1.440 10 10 ADCE CC[C@H](O)CCCN=[N+]=[N-] 234068238 YDMBWVLJECUERS-LURJTMIESA-N 143.190 1.848 10 10 ADCE C[C@]1(O)CCN(CCCN=[N+]=[N-])C1 235714197 CEHJJERCQXPUEW-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE CC(C)(C)[C@H](N=[N+]=[N-])[C@@H](O)CO 238177291 MZRWLBOMBLXCME-NTSWFWBYSA-N 173.216 1.065 10 10 ADCE CCOC(=O)[C@](F)(CC)CN=[N+]=[N-] 238283027 QXAMBRRGEJCZMF-ZETCQYMHSA-N 189.190 1.978 10 10 ADCE Nc1c(C(F)F)cc(O)nc1O 238588627 VLCBSYBTPKVPAP-UHFFFAOYSA-N 176.122 1.013 10 10 ADCE CNCN(C)c1ccc(OC)c(F)c1 258997120 ZTKSLDYXUGGMLP-UHFFFAOYSA-N 198.241 1.447 10 10 ADCE N#CN1CCC[C@H]1CN=[N+]=[N-] 575564531 GTAJQDADVMIOCH-LURJTMIESA-N 151.173 1.242 10 10 ADCE Nc1ccc(CN[C@@H]2CC23CC3)cc1 715683797 UYSCVJKOCXTPNQ-LLVKDONJSA-N 188.274 1.911 10 10 ADCE [N-]=[N+]=NCC(F)(F)CCC(=O)O 1554666016 WOPGPFUTJWOOTM-UHFFFAOYSA-N 179.126 1.797 10 10 ADCE CN[C@H](c1ccccc1O)[C@@H](C)O 1929438278 KMCQNAXTKJMNLZ-XCBNKYQSSA-N 181.235 1.034 10 10 ADCE Nc1ccc(N2CC(CCO)C2)cc1 1932115479 FJRDNMJBRMJPJY-UHFFFAOYSA-N 192.262 1.087 10 10 ADCE C[C@@]1(CN=[N+]=[N-])CCNC1 1953161272 MFGSXWRFHWAOAO-ZCFIWIBFSA-N 140.190 1.296 10 10 ADCE CN(CCN=[N+]=[N-])C1(CN)CCCC1 1957243048 CFUWMUJFSQFFNP-UHFFFAOYSA-N 197.286 1.500 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2C[C@@]2(N)C1 1957244313 OYPFWGUCPVMYAD-DTWKUNHWSA-N 195.270 1.110 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@@H](N)C1 1957248010 ZMYIDARIGWWMSX-SECBINFHSA-N 197.286 1.500 10 10 ADCE CONCc1ccc(N(C)C)cc1 82872855 ZESXPMXJDQFNRC-UHFFFAOYSA-N 180.251 1.404 10 10 ADCE CN(O)Cc1ccc(Cl)cc1O 82887904 LZJIMHZZHXTTOX-UHFFFAOYSA-N 187.626 1.867 10 10 ADCE COC(OC)c1ccc(O)c(O)c1 114356315 BQBCFJSPAJUHRN-UHFFFAOYSA-N 184.191 1.389 10 10 ADCE Nc1ccc(Cc2cc(=O)o[nH]2)cc1 213456224 ZOUQUJGUOXGFRV-UHFFFAOYSA-N 190.202 1.141 10 10 ADCE CNCCCc1cccc(O)c1O 221299940 SMEFENLXIFBVPX-UHFFFAOYSA-N 181.235 1.250 10 10 ADCE CCC[C@@H](N)c1cccc(N)c1O 238238769 HJHTWYXLZDKXEN-MRVPVSSYSA-N 180.251 1.774 10 10 ADCE CC[C@H](C(N)=O)c1cccc(O)c1O 238303239 QWIMBUAZLGLIRO-LURJTMIESA-N 195.218 1.077 10 10 ADCE N[C@H]1CC[C@@H](c2ccc(O)c(O)c2)C1 238692688 ZSFKZPDMWGWTAE-APPZFPTMSA-N 193.246 1.693 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@H]1CCCOC1 401476230 RUAQLYPQARGNJH-SECBINFHSA-N 198.270 1.798 10 10 ADCE C[C@@H]1CC[C@@H](CO)CN1CCN=[N+]=[N-] 688718864 OZDLKQFZPMTJFF-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE COCCNCc1c(O)cccc1F 723026760 ROHCJKMLIHUYLK-UHFFFAOYSA-N 199.225 1.267 10 10 ADCE C[C@@H]1CO[C@H](CN=[N+]=[N-])N[C@@H]1C 885318748 CQQSJQOJXQSVDZ-FSDSQADBSA-N 170.216 1.267 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccncc1F 1535853030 STMFAWYTVAOMJL-ZETCQYMHSA-N 182.158 1.564 10 10 ADCE C[C@H]1CCN(c2ccc(N)cc2)C1=O 1885933127 UYUDRRDUWDKQJX-QMMMGPOBSA-N 190.246 1.642 10 10 ADCE CC[C@H]1C[C@@H]1CC(=O)NCCN=[N+]=[N-] 1892304903 WUHLWJWNXFMJTK-JGVFFNPUSA-N 196.254 1.849 10 10 ADCE Nc1ccc(N2CC=C[C@H]2CF)cc1 1902357943 MJXQQSXOTZHQHI-NSHDSACASA-N 192.237 1.983 10 10 ADCE CO[C@H]1CCC[C@H]1N1CC(N=[N+]=[N-])C1 1912164794 CVBRDPLVYMCZLH-BDAKNGLRSA-N 196.254 1.548 10 10 ADCE [N-]=[N+]=N[C@H]1CCN([C@H]2CCSC2)C1 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1.006 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ncccc1O 1951476505 ISMGSJQFGRYOLE-YFKPBYRVSA-N 180.167 1.131 10 10 ADCE Cc1cccc([C@]2(C)CC(=O)N2)c1O 1951856307 PRKQRJWKHARVNE-NSHDSACASA-N 191.230 1.436 10 10 ADCE Cc1c(N)ccnc1CN=[N+]=[N-] 1953712991 LQQVLRDXMAHNLE-UHFFFAOYSA-N 163.184 1.783 10 10 ADCE C[C@H]1CNC[C@H](C)N(CCN=[N+]=[N-])C1 1957243872 IUEBVRBMRFZQAD-IUCAKERBSA-N 197.286 1.227 10 10 ADCE C[C@H](N)c1ccc(N(C)CCO)cc1 37899408 VLLQELCHNHIHQL-VIFPVBQESA-N 194.278 1.135 10 10 ADCE CN1CC[C@@H](Nc2ccccc2N)C1 42545142 CIVXAZAOVVPWJH-SECBINFHSA-N 191.278 1.385 10 10 ADCE COc1ccc2c(c1)N[C@@H](C)CN2C 76928003 JKPABSRJYZTGKU-QMMMGPOBSA-N 192.262 1.945 10 10 ADCE [N-]=[N+]=NCCCSCCCO 85164074 DQBYAJZTOSMGFI-UHFFFAOYSA-N 175.257 1.802 10 10 ADCE CCOC(=O)[C@H](N=[N+]=[N-])C(C)C 138800709 GCXQYMXTWCIWBZ-ZCFIWIBFSA-N 171.200 1.884 10 10 ADCE CCC[C@H](O)N=[N+]=[N-] 145841641 PMSBDIQQCZWMGK-BYPYZUCNSA-N 115.136 1.415 10 10 ADCE [N-]=[N+]=NC[C@H](O)CC(F)(F)F 210268274 JRWZMPQQZWIUDW-GSVOUGTGSA-N 169.106 1.610 10 10 ADCE COc1cc(C)c(O)c(C2(N)CC2)c1 214728265 TXNYQYJWPARRQM-UHFFFAOYSA-N 193.246 1.657 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)N[C@H]1C1CCCCC1 221516540 AYBBHVYVBSYBPP-JGVFFNPUSA-N 194.238 1.744 10 10 ADCE CC(C)[C@H]1CC(=O)C(=O)[C@@H](C)C1 238161372 PXKZBNAPMZMVFD-JGVFFNPUSA-N 168.236 1.827 10 10 ADCE Cc1cc(O)c(O)cc1CC[C@H](C)N 257867956 XLGPTFKTHGAAFY-QMMMGPOBSA-N 195.262 1.686 10 10 ADCE NC1(c2ccc3c(c2O)OCO3)CC1 257968860 CNHSXQSBYAVAIM-UHFFFAOYSA-N 193.202 1.069 10 10 ADCE N[C@]1(c2ccccc2O)CCC(=O)C1 259875285 YCMODLCNKIEGTO-LLVKDONJSA-N 191.230 1.299 10 10 ADCE [N-]=[N+]=N[C@H]1c2ccccc2OC[C@@H]1O 306423595 GVZIVUKIDQYGLV-CBAPKCEASA-N 191.190 1.791 10 10 ADCE [N-]=[N+]=NC/C=C\[C@@H]1C[C@H]1C(=O)O 307911700 HGEIQQBQAMBDGB-CNUHJEEOSA-N 167.168 1.574 10 10 ADCE [N-]=[N+]=NC[C@H]1CC2(CC2)CO1 536956724 AZSYCVRZTKOEES-ZCFIWIBFSA-N 153.185 1.866 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cc(O)ccc1O 1535735646 QZJPQYSPQIDVJY-ZETCQYMHSA-N 195.178 1.442 10 10 ADCE CCC1(C)CC(O)(C(=O)C(C)=O)C1 1882157184 PLPZJNOTAMUSAD-UHFFFAOYSA-N 184.235 1.086 10 10 ADCE Nc1ccc(N[C@H]2CC[C@@H]2N)cc1 1883134169 METGOGJCEACTQX-UWVGGRQHSA-N 177.251 1.170 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H](O)[C@H]1C2 1884635677 TWKGWUXJALUBJP-HLTSFMKQSA-N 196.254 1.142 10 10 ADCE C[C@@H]1CCO[C@@H]1CN(C)CCN=[N+]=[N-] 1912162284 UJBWBCYHBPAQED-RKDXNWHRSA-N 198.270 1.654 10 10 ADCE Cc1cc(CN2CC(N=[N+]=[N-])C2)on1 1912183458 PMEAPTLCOGIEDX-UHFFFAOYSA-N 193.210 1.478 10 10 ADCE CCC[C@](O)(C(=O)C(C)=O)C1CCC1 1929233317 HRSDEQIGAASLCI-LLVKDONJSA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1nccnc1Cl 1951467494 ZOSOMOMUBNJDEM-SCSAIBSYSA-N 199.601 1.474 10 10 ADCE C[C@@]1(c2ccc(F)cc2O)CC(=O)N1 1951856884 SHFPIDMLWWJAMW-JTQLQIEISA-N 195.193 1.266 10 10 ADCE CC[S@@](=O)Cc1ccc(N)cc1 40965313 QNYXIKXUKSTYEY-LBPRGKRZSA-N 183.276 1.537 10 10 ADCE CONCc1cccc(Cl)c1O 82887909 YPKUIGBAUMHAES-UHFFFAOYSA-N 187.626 1.697 10 10 ADCE N[C@@H]1C[C@H]2C[C@H]1c1c2ccc(O)c1O 100710766 HMWASRAMRZXLCY-LPBLVHEISA-N 191.230 1.400 10 10 ADCE CC(=O)[C@H](N)c1ccc(Cl)cc1O 104492602 ZPNGXNFHRGXTGH-VIFPVBQESA-N 199.637 1.634 10 10 ADCE Cc1cc2ccc(CCN)cc2n1C 108267857 DMYQJNZQFJIOQF-UHFFFAOYSA-N 188.274 1.988 10 10 ADCE Cn1ccnc1C1=CC[C@@H](N)CC1 168790606 ZGIWYDVLGJJJKD-SECBINFHSA-N 177.251 1.315 10 10 ADCE CC(C)(/C=C\CO)N=[N+]=[N-] 220138647 DIJCQWCCTGJLDM-ARJAWSKDSA-N 141.174 1.624 10 10 ADCE CC[C@H]1NC(=O)c2cccc(O)c21 221270175 IUAYALHLMOGYEB-SSDOTTSWSA-N 177.203 1.587 10 10 ADCE Cc1cnn(CCCN=[N+]=[N-])c(=O)c1 235801971 PSOXRYZUVMGMQT-UHFFFAOYSA-N 193.210 1.252 10 10 ADCE CCOC(=O)[C@H](CN=[N+]=[N-])C(C)=O 238251613 XZDMWGCEKQORLM-ZCFIWIBFSA-N 185.183 1.065 10 10 ADCE C[C@H]1C[C@@H](c2cccc(O)c2O)CN1 238460592 VOLIBURRFVCJRE-JGVFFNPUSA-N 193.246 1.563 10 10 ADCE CC(=S)c1ccn(C)c1 306483669 HBNMWRNZRUOGAK-UHFFFAOYSA-N 139.223 1.763 10 10 ADCE C=C/C=C\C(=C\O)C(=O)OC 307893573 HSQRUBMHGPJQKB-RZSVFLSASA-N 154.165 1.344 10 10 ADCE N[C@H]1CC(=O)c2ccc(F)c(O)c21 713755263 NXXFBWJLBPREEH-LURJTMIESA-N 181.166 1.118 10 10 ADCE C[C@@H]1N[C@@H](CN=[N+]=[N-])OC1(C)C 885319173 PDTWCTQHCKSIGS-NTSWFWBYSA-N 170.216 1.410 10 10 ADCE [N-]=[N+]=N[C@@H](CO)C1CC1 1535882963 GEZVZEPLQYXANC-YFKPBYRVSA-N 127.147 1.068 10 10 ADCE C[C@H](CCO)NCc1ccc(N)cc1 1892807872 SMUMPLCQDLQKDT-SECBINFHSA-N 194.278 1.129 10 10 ADCE C[C@]1(O)CCN(CCCCN=[N+]=[N-])C1 1912176417 YXEMCLOTJJBMKR-VIFPVBQESA-N 198.270 1.534 10 10 ADCE CCOCCN1CCC[C@@H](N=[N+]=[N-])C1 1912181964 VQBCNVPUXXZWGK-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC(=CCN)c1cc(O)c(O)c(O)c1 1951474035 UYZXFLIIPXKCLS-UHFFFAOYSA-N 195.218 1.165 10 10 ADCE Cc1ccc(O)c([C@@H]2NCCC2=O)c1 1951852032 BPDIEDRHJGUAOJ-NSHDSACASA-N 191.230 1.304 10 10 ADCE [N-]=[N+]=NCCCN1CC2(F)CC1C2 1953873976 HSWWRRIQMMEHCN-UHFFFAOYSA-N 184.218 1.873 10 10 ADCE [N-]=[N+]=NC1CN(C2C[C@@H]3C[C@H]3C2)C1 1954757295 FJRGMBJWCAMRAK-BQBZGAKWSA-N 178.239 1.779 10 10 ADCE Nc1ccc(Cl)c(O)c1O 2055141983 SLQIQRAVWCVFCX-UHFFFAOYSA-N 159.572 1.333 10 10 ADCE CCCNCc1sccc1O 2208963048 HMKPVKOIDCQIFK-UHFFFAOYSA-N 171.265 1.953 10 10 ADCE [N-]=[N+]=NCCN1CC(CCCO)C1 2209362790 ZPUMHMQNOAGQBX-UHFFFAOYSA-N 184.243 1.001 10 10 ADCE CN(CCN=[N+]=[N-])CCOCCF 2209397628 REHSNOVVHGIEQB-UHFFFAOYSA-N 190.222 1.215 10 10 ADCE N=NC(=O)c1ccncc1 16051610 QFLYISKABRUWCS-UHFFFAOYSA-N 135.126 1.253 10 10 ADCE in-vitro CO/N=[N+](\[O-])c1c(C)n[nH]c1C 59366356 NSKHIIFXCWNXTM-KTKRTIGZSA-N 170.172 1.182 10 10 ADCE C[C@@H]1NCCc2c1cc(O)c(O)c2O 75818645 XKDWPXTWJQHXBK-YFKPBYRVSA-N 195.218 1.010 10 10 ADCE Cc1cc(C(=O)C=[N+]=[N-])ccc1F 84444861 JEXODVJDPBZJIC-UHFFFAOYSA-N 178.166 1.617 10 10 ADCE CCc1cccc([C@H](N)[C@H](C)O)c1O 95717130 JYBOZYVUSJFPJW-OIBJUYFYSA-N 195.262 1.335 10 10 ADCE CCC[C@@H](C)NC(=O)[C@@H](C)N=[N+]=[N-] 104701806 RGUZZZXYILSBNI-RNFRBKRXSA-N 184.243 1.990 10 10 ADCE CN[C@@H](CCO)c1cc(C)ccc1O 107486413 XBOJRWANRCKKOH-JTQLQIEISA-N 195.262 1.344 10 10 ADCE Cc1ncsc1[C@H](CO)N=[N+]=[N-] 198931250 OMTMHZTVOSAHNA-YFKPBYRVSA-N 184.224 1.795 10 10 ADCE CC(C)[C@H](N)c1cccc(CO)c1O 211600772 AUNRXJKGAHPXKX-JTQLQIEISA-N 195.262 1.540 10 10 ADCE Oc1cccc2c1CN[C@@H]2C1CC1 221265341 KHQCCTAHOOFVRT-LLVKDONJSA-N 175.231 1.947 10 10 ADCE CC(C)(C)C(=O)C(=O)C1CC1 238120500 HNBAHOGZDZMPGR-UHFFFAOYSA-N 154.209 1.581 10 10 ADCE CC1(C)CC(=O)C(=O)[C@@H]2C[C@H]21 238198860 MXWOTXKUMPAXSZ-PHDIDXHHSA-N 152.193 1.191 10 10 ADCE CCOc1ccc(N(C)CO)cc1 258908931 LXCNOGIAYPCMFJ-UHFFFAOYSA-N 181.235 1.471 10 10 ADCE C[C@]1(CN=[N+]=[N-])CSCCO1 1880495679 NOFJKHCQXBRZGI-LURJTMIESA-N 173.241 1.819 10 10 ADCE CO[C@@H](C)OCCc1ccc(N)cc1 1884365831 DXWMAWZZVOATBI-SECBINFHSA-N 195.262 1.820 10 10 ADCE Cc1c(CN)cc(N)cc1CN=[N+]=[N-] 1887522453 GXLUHQQELYKFFP-UHFFFAOYSA-N 191.238 1.846 10 10 ADCE C[C@@H]1CNCC1=Cc1nccn1C 1926527214 FUUMOSXEDMAXTF-MRVPVSSYSA-N 177.251 1.043 10 10 ADCE CC[C@@H]1COCCN(CCN=[N+]=[N-])C1 1933532704 PCDUWYCZFBWYLL-VIFPVBQESA-N 198.270 1.655 10 10 ADCE O=C1CCN[C@H]1c1cccc(F)c1O 1951858713 GMJCKKKWYYCOLP-VIFPVBQESA-N 195.193 1.135 10 10 ADCE N[C@H]1C[C@@H]1CCc1ccc(O)c(O)c1 1952137522 VWJJCLRKJNGOGR-IUCAKERBSA-N 193.246 1.378 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2OCC[C@H]2O1 1953594446 WCOGCWAUUQXEPN-RRKCRQDMSA-N 169.184 1.243 10 10 ADCE [N-]=[N+]=NC1CN([C@H]2C[C@@H]3C[C@@H]3C2)C1 1954757297 FJRGMBJWCAMRAK-SRSLHRDFSA-N 178.239 1.779 10 10 ADCE CCN(CC)/N=N/N(CC)CC 5845554 DTPTYCXQWZYACS-MDZDMXLPSA-N 172.276 1.952 10 10 ADCE CC[C@H]1C(=O)C(=O)C[C@@H]1C 12359512 PJGUAPZBKDQAHE-NTSWFWBYSA-N 140.182 1.191 10 10 ADCE CN(C)c1cc2c(cc1O)NCCC2 82388657 IPRJYLUXJOWKJC-UHFFFAOYSA-N 192.262 1.816 10 10 ADCE CCOC(=O)[C@@H]1C[C@@H]1CN=[N+]=[N-] 142013351 XDRUUFIQBCRVFH-PHDIDXHHSA-N 169.184 1.496 10 10 ADCE COCO[C@H]1[C@H](C)OC=C[C@H]1N=[N+]=[N-] 209494828 ZJPZKHNRQBWLJI-RNJXMRFFSA-N 199.210 1.587 10 10 ADCE CC[C@H](N)c1cc(COC)ccc1O 211621199 CMDTTWUGOYHFSN-JTQLQIEISA-N 195.262 1.948 10 10 ADCE CCN/C(C)=C(\C(C)=S)[N+](=O)[O-] 216553204 IBRNIACPGZNGHH-FNORWQNLSA-N 188.252 1.494 10 10 ADCE C[C@H](CCN=[N+]=[N-])c1nc(CO)co1 238430904 ATESPRHVAQRPCI-ZCFIWIBFSA-N 196.210 1.971 10 10 ADCE C[C@@H]1c2c(O)ccc(O)c2CCN1C 238462009 YEIZOXFDQHGAMZ-SSDOTTSWSA-N 193.246 1.647 10 10 ADCE NCCCc1ccc(O)c(O)c1F 257949627 AUFCWGUQHRSTRN-UHFFFAOYSA-N 185.198 1.128 10 10 ADCE Oc1cccc2c1C1(CC1)NCC2 259686793 JPHNCLDWTGPSHO-UHFFFAOYSA-N 175.231 1.527 10 10 ADCE Cc1cc(CN=[N+]=[N-])n[nH]1 1535864776 FVLHWGGCALJYDO-UHFFFAOYSA-N 137.146 1.528 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2C[C@H]2F)C1 1881087312 AUGHQOIRDXQCKC-IYSWYEEDSA-N 170.191 1.339 10 10 ADCE CN[C@@H](c1ccccc1O)C1COC1 1884428811 MIQFWCPQDRWFRW-LLVKDONJSA-N 193.246 1.299 10 10 ADCE CSc1ncc(C[C@@H](C)N)s1 1934298031 CSKSOUBLZILXLU-RXMQYKEDSA-N 188.321 1.755 10 10 ADCE CC(=O)C(=O)Cc1c(F)cccc1F 1951487826 AEHZHJQSRXHPMV-UHFFFAOYSA-N 198.168 1.665 10 10 ADCE C[C@H]1C[C@@]1(N)c1cccc(O)c1O 1951720833 AHRUKYSHSDCZAX-WKEGUHRASA-N 179.219 1.292 10 10 ADCE COc1ncc(C(=O)C(C)=O)cc1C 1952319711 RPDGINJNXSQSNI-UHFFFAOYSA-N 193.202 1.170 10 10 ADCE CNC(C)(C)c1ccccc1O 82851540 WEZHJSFDIFQAFL-UHFFFAOYSA-N 165.236 1.847 10 10 ADCE COc1cc(O)c(CN)c2occc12 82891974 CLLYPWOOMNZIQJ-UHFFFAOYSA-N 193.202 1.606 10 10 ADCE Cc1ccc(O)c([C@@H](N)CCCO)c1 95672681 DLWKIONQEPOQIW-JTQLQIEISA-N 195.262 1.473 10 10 ADCE CNCc1cc(C)cc(F)c1O 107331741 CZQSEPFZPKPFRS-UHFFFAOYSA-N 169.199 1.559 10 10 ADCE [N-]=[N+]=NCc1cccc(C(=O)O)n1 137962767 HAESWRRZPZGOTC-UHFFFAOYSA-N 178.151 1.590 10 10 ADCE COC[C@H](C)CN=[N+]=[N-] 148787426 OGHUAPXTKMOKTA-RXMQYKEDSA-N 129.163 1.579 10 10 ADCE CCN(C)Cc1cccc(F)c1O 159213015 ONLARXYWEDJVSB-UHFFFAOYSA-N 183.226 1.983 10 10 ADCE C[C@@H](CF)NCc1ccccc1O 388253110 AIZVIIJTLHOYAD-QMMMGPOBSA-N 183.226 1.840 10 10 ADCE [N-]=[N+]=NCCc1cc(O)ccc1O 1535733956 FUSOSXXIOCTXFS-UHFFFAOYSA-N 179.179 1.951 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ncccc1F 1535793326 ZLUIWCABVWIRCU-ZCFIWIBFSA-N 182.158 1.564 10 10 ADCE C[C@@H]1CC[C@H](CN2CC(N=[N+]=[N-])C2)O1 1877296308 KFDJUMVRHMZQEM-VXNVDRBHSA-N 196.254 1.548 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2F)C1 1884717289 FPLZVDQVAQNQEQ-FSDSQADBSA-N 198.201 1.256 10 10 ADCE CNC[C@@H](C)CNc1ccc(N)cc1 1888905047 JJWOKYNIBQGZCQ-SECBINFHSA-N 193.294 1.536 10 10 ADCE [N-]=[N+]=NCC(=O)[C@@H]1CC1(F)F 1893569086 JAOQMMAXTFYDSY-VKHMYHEASA-N 161.111 1.521 10 10 ADCE CC(C)[C@H](C)C(=O)N1CC(N=[N+]=[N-])C1 1912181048 JKJNCFVTHXJUEC-ZETCQYMHSA-N 196.254 1.800 10 10 ADCE [N-]=[N+]=NCCN1CC(C(F)(F)F)C1 1912182945 IVJUXHRCEXTLFG-UHFFFAOYSA-N 194.160 1.791 10 10 ADCE C[C@H](CO)N1CCC[C@H](N=[N+]=[N-])C1 1912200760 KZDGSTBXKHQMRJ-SFYZADRCSA-N 184.243 1.142 10 10 ADCE C[C@H](O)C1(Nc2ccc(N)cc2)CC1 1913491557 AUWVYZYMBVLVAK-QMMMGPOBSA-N 192.262 1.594 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@@H]1CCC[C@H](C)C1 1929221944 UIRPQVUCUOVRDM-JVUFJMBOSA-N 198.262 1.332 10 10 ADCE Cc1ccc(O)c([C@@]2(C)CC(=O)N2)c1 1951858319 XRLQQBBTILKIHX-LLVKDONJSA-N 191.230 1.436 10 10 ADCE Cc1cccc([C@H]2C[C@H](O)CN2)c1O 1952071156 OZWILVPOYWWFMC-WCBMZHEXSA-N 193.246 1.096 10 10 ADCE CCNc1nccnc1CN=[N+]=[N-] 1954832746 OPJSXMQNRFXOMN-UHFFFAOYSA-N 178.199 1.719 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](CCF)C1 1954874817 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194.238 1.698 10 10 ADCE [N-]=[N+]=NCCC[C@@H]1CCC[C@@]1(O)CO 34546096 KFDUQNDUVYQSQR-DTWKUNHWSA-N 199.254 1.600 10 10 ADCE CCOC(=O)CNc1ccc(N)cc1 37472445 GVGQOGYBBPAQCF-UHFFFAOYSA-N 194.234 1.244 10 10 ADCE C[C@@H]1CCN1c1ccc(N)cc1 86678130 HTQXHCVUOZNMJJ-MRVPVSSYSA-N 162.236 1.867 10 10 ADCE CCCCCNC(=O)[C@H](C)N=[N+]=[N-] 104701725 YXPNGVULKVHSFQ-ZETCQYMHSA-N 184.243 1.992 10 10 ADCE CO[C@@H](C)Nc1ccc(N)cc1 113854054 ZLWWTFCPEUKVAP-ZETCQYMHSA-N 166.224 1.673 10 10 ADCE CN(C)Cc1cc(O)ccc1O 144628142 ZYXLGIIYEXDMGI-UHFFFAOYSA-N 167.208 1.159 10 10 ADCE CN1CC[C@H](N)[C@H]1c1ccccc1O 250560159 CGNVQOHCXXCWSV-GXSJLCMTSA-N 192.262 1.096 10 10 ADCE COc1ccncc1CN=[N+]=[N-] 307286077 QBGXOZGBQCYGJA-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE CCCN[C@@H](C)N=NC 307816406 MSRXPKVAMVIBGT-ZCFIWIBFSA-N 129.207 1.414 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H]2C[C@H]21 707091125 XHYPZJGNSJRCHA-HTQZYQBOSA-N 166.228 1.781 10 10 ADCE CNC1(c2cccc(F)c2O)CC1 1535817305 JVCLMPLIXQUFSY-UHFFFAOYSA-N 181.210 1.740 10 10 ADCE C[C@@H](CN=[N+]=[N-])N1CCOCC1 1881083437 QXTJRNVJXPLCFS-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@H](C)[C@H]1C 1929187961 PHPDNRAZQXHXOP-RNSXUZJQSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]1C(F)F 1953696802 UVXIFEZTEPTLRN-YFKPBYRVSA-N 176.170 1.636 10 10 ADCE Nc1ccccc1N[C@H]1CC[C@H]1O 1954547535 MYDKKLAVVRXJCX-VHSXEESVSA-N 178.235 1.204 10 10 ADCE CN=c1[nH]cc(CN=[N+]=[N-])cc1C 1954833315 SXIKGWRXJARECS-UHFFFAOYSA-N 177.211 1.664 10 10 ADCE CN[C@H](C)c1cc(C)ccc1O 24863210 UUGWFKBHAKBDLO-MRVPVSSYSA-N 165.236 1.981 10 10 ADCE Cc1cc2c(O)c(CN)ccc2[nH]1 82869034 NDBJXFWEMFCWAA-UHFFFAOYSA-N 176.219 1.641 10 10 ADCE C[C@@](NCCN=[N+]=[N-])(C(=O)O)C1CC1 85223702 MWCQHIRDGNYYLU-QMMMGPOBSA-N 198.226 1.140 10 10 ADCE O=C(O)[C@H](F)Sc1nccs1 86242451 ZZWVELSGLPYYNN-GSVOUGTGSA-N 193.224 1.615 10 10 ADCE Cc1ccc(F)c([C@H](C)N)c1O 95706999 LAPNUAMQMYBHMK-LURJTMIESA-N 169.199 1.859 10 10 ADCE [N-]=[N+]=NCc1[nH]nc2ncccc12 202224141 AHRQNDBSQCMUKO-UHFFFAOYSA-N 174.167 1.768 10 10 ADCE CCCNC(=O)NCCCCN=[N+]=[N-] 231733099 OGEZWWOQRVGZGX-UHFFFAOYSA-N 199.258 1.786 10 10 ADCE CNC(=O)N[C@@H](C)c1ccccc1O 864424927 QMGKIYWAGCOIGB-ZETCQYMHSA-N 194.234 1.382 10 10 ADCE COC(C)(C)C[C@H](CO)N=[N+]=[N-] 1535824465 KAYZSAUUHSYWMO-ZCFIWIBFSA-N 173.216 1.473 10 10 ADCE C[C@@H]1C[C@@]1(F)C(=O)NCCN=[N+]=[N-] 1878079830 WNWHHHGNKVIDPU-VDTYLAMSSA-N 186.190 1.161 10 10 ADCE CN(CCN1CC(N=[N+]=[N-])C1)C1CC1 1890849830 RXCZJUUKVBNBCB-UHFFFAOYSA-N 195.270 1.075 10 10 ADCE C[C@H](N)[C@H](C)COc1ccc(N)cc1 1896268833 MYBFQDRXIACLIV-BDAKNGLRSA-N 194.278 1.631 10 10 ADCE CC(=Cc1ccc(O)c(O)c1)C(=O)O 1927728603 DEOQAXQDXRMPMZ-UHFFFAOYSA-N 194.186 1.586 10 10 ADCE [N-]=[N+]=NCC1CCC(N)CC1 1953345284 ULEKLGWVNKDOTE-UHFFFAOYSA-N 154.217 1.814 10 10 ADCE CCOC[C@H]1CNc2ccccc2N1 1955112623 AXMBMCVGHZBRMV-SECBINFHSA-N 192.262 1.929 10 10 ADCE CC[C@H](C)NCc1cccc(O)c1O 41049377 FYSUHNUKHOHJLA-QMMMGPOBSA-N 195.262 1.986 10 10 ADCE C[C@H]1C=CNC(=S)S1 104630318 FGLNTFSSXCTDRS-BYPYZUCNSA-N 145.252 1.510 10 10 ADCE [N-]=[N+]=NCC[C@@H]1COCCO1 198859651 ZPHLSDBNKDLZRE-ZCFIWIBFSA-N 157.173 1.102 10 10 ADCE N=Nc1ccc2n[nH]nc2c1 200574463 GCCJCBSZZSCSSK-UHFFFAOYSA-N 147.141 1.620 10 10 ADCE C[C@@H](CN)c1cnc2ccn(C)c2c1 214573407 WPQDDGYCPGXPIL-QMMMGPOBSA-N 189.262 1.636 10 10 ADCE COc1ccc(N(C)C)cc1[C@@H](C)N 258047636 KGSMLKWUNPQLIW-MRVPVSSYSA-N 194.278 1.781 10 10 ADCE Cc1c(CCO)cc(O)c(O)c1C 258128643 RFVLRGZUIJOTOY-UHFFFAOYSA-N 182.219 1.249 10 10 ADCE C[C@H](CCN)c1cc(O)c(O)c(F)c1 258233731 WBRBRTLKSKZAIM-ZCFIWIBFSA-N 199.225 1.689 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@H](N)C1 306802872 UPXKFAFGDHNRQQ-WDSKDSINSA-N 140.190 1.424 10 10 ADCE OCc1sc2ccc(O)cc2c1O 307722960 ZQUNFNMCZYBWQF-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE COC(=O)c1cccnc1CN=[N+]=[N-] 888085836 VFMJIBUVUCIGAT-UHFFFAOYSA-N 192.178 1.679 10 10 ADCE in-vitro CC1(C)CNC[C@@H](CN=[N+]=[N-])O1 1880689993 OZGYGOPBWHFFON-LURJTMIESA-N 170.216 1.064 10 10 ADCE C=CC(=O)N(CC)CCN=[N+]=[N-] 1887717900 PPQMDZQMPRROQB-UHFFFAOYSA-N 168.200 1.331 10 10 ADCE C[C@H](Nc1ccccc1N)C1CNC1 1888914837 JGIUDJQYIQJYEM-QMMMGPOBSA-N 191.278 1.289 10 10 ADCE C[C@@H]1NCC[C@H]1Nc1ccccc1N 1888915016 MELYDJVXPLOKLI-WCBMZHEXSA-N 191.278 1.431 10 10 ADCE C[C@@H]1CCNC[C@@H]1N=[N+]=[N-] 1912155138 KARUBAIDYPPVHD-RITPCOANSA-N 140.190 1.295 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C[C@H]2C[C@H]2CF)C1 2297285418 PAVZDCWLODBFNP-YIZRAAEISA-N 198.245 1.977 10 10 ADCE Cc1cc(C)c(O)c(CN)c1C 29221025 VJBHVPYEICGNIE-UHFFFAOYSA-N 165.236 1.776 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CCC[C@H]1O 34227352 ZHXMGQUMFCWLHF-PHDIDXHHSA-N 139.158 1.376 10 10 ADCE CCn1ccnc1/C=C/CCNC 86571221 UGWVNLSCBPEMCX-GQCTYLIASA-N 179.267 1.526 10 10 ADCE CCCC=C1C(=O)OC(C)(C)OC1=O 96565261 ADLJLXZMIIKBEK-UHFFFAOYSA-N 198.218 1.549 10 10 ADCE C[C@H](CO)[C@H](C)Nc1ccc(N)cc1 123247260 CGSMOTCUPMFCNC-BDAKNGLRSA-N 194.278 1.698 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2[C@@H]1O 137576535 GXARJZSMOVQDPH-BDAKNGLRSA-N 175.191 1.955 10 10 ADCE CCOC(=O)CSCN=[N+]=[N-] 238294433 JUOGEAZBTCQOHU-UHFFFAOYSA-N 175.213 1.551 10 10 ADCE COC(=O)/C(=C/O)C1CC1 238355655 CBMPORUVZPTVNP-GQCTYLIASA-N 142.154 1.011 10 10 ADCE C=Cc1ccc(O)c([C@@H](N)CCO)c1 238557144 UJDBWKXAPVUWQD-JTQLQIEISA-N 193.246 1.417 10 10 ADCE CC[C@@H](C)[C@H](N=[N+]=[N-])C(=O)OC 238798002 NTLKRMPYLPJNIZ-RITPCOANSA-N 171.200 1.884 10 10 ADCE CN[C@H](C)c1cc(O)c(O)cc1C 257873295 YRHPILBAWHXHLY-SSDOTTSWSA-N 181.235 1.687 10 10 ADCE Cc1cc(C2(O)CC2)cc(O)c1O 257947195 FFCQGDRMGUWEBC-UHFFFAOYSA-N 180.203 1.388 10 10 ADCE C[C@H](N)c1ccc(O)c(O)c1F 258052408 RPOYFESAJRUAQN-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE CN(CN)c1ccc2c(c1)CCCO2 258870841 KZRNCOAHEQGASZ-UHFFFAOYSA-N 192.262 1.364 10 10 ADCE COC(=O)/C(C)=C\CN=[N+]=[N-] 394950138 HHLFIIZHIATBQB-HYXAFXHYSA-N 155.157 1.416 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC2(CC2)CN1 575451446 AZYYVZGTLKWCEN-SSDOTTSWSA-N 166.228 1.829 10 10 ADCE CC1(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1 1912144653 WQTBGACTOARZNU-SSDOTTSWSA-N 194.238 1.698 10 10 ADCE CC(=O)C(=O)c1ccc(C)c(F)c1 1951322721 UAMHLBAIFCQXNY-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE CC[C@H]1C[C@@]1(N)c1ccc(O)cc1O 1951729502 PXBCORMQTIODAZ-CPCISQLKSA-N 193.246 1.682 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CCC2COC2)C1 1955560505 BASBMHXSMYWULU-VIFPVBQESA-N 196.254 1.408 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])[C@@H](CN)C1 1957243854 INWIWTFXDOQCIX-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])[C@@H](CN)C1 1957243856 INWIWTFXDOQCIX-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE C[C@@H](N)C=Cc1ccc(O)c(O)c1 2054611363 PJPADANVRHANQF-SSDOTTSWSA-N 179.219 1.458 10 10 ADCE CCc1[nH]cnc1CSCCN 39254785 UEEMQUDIGWOBFB-UHFFFAOYSA-N 185.296 1.164 10 10 ADCE Cc1cccc(=O)n1CCCN=[N+]=[N-] 42416135 HZYYLWWXZHXACK-UHFFFAOYSA-N 192.222 1.857 10 10 ADCE C[C@H]1CC(=O)N(CCN=[N+]=[N-])C1 62817414 SEXZCTZLVXBMIN-LURJTMIESA-N 168.200 1.165 10 10 ADCE Cc1cc(O)c([C@@H](C)N)cc1F 82703817 SHOAYKICLFQHIQ-ZCFIWIBFSA-N 169.199 1.859 10 10 ADCE Nc1sc2c(c1O)CCCC2 84228117 FGSHCIODISUASH-UHFFFAOYSA-N 169.249 1.915 10 10 ADCE CCNCC/C=C(/C)c1nccn1C 86572584 FZGGFIWHHUNNQQ-POHAHGRESA-N 193.294 1.823 10 10 ADCE O=[N+]([O-])c1cc2nonc2cc1Cl 104502116 LHJFCBPFHBUTNI-UHFFFAOYSA-N 199.553 1.784 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H](O)C12CC2 145786293 XEYJYWGYFVOQBR-WDSKDSINSA-N 151.169 1.376 10 10 ADCE Nc1cc(F)c(O)c([C@@H](N)C2CC2)c1 211721648 WSVXDGFIOOZJHU-VIFPVBQESA-N 196.225 1.523 10 10 ADCE COC[C@@H]1CC[C@@H](O)[C@H](N=[N+]=[N-])C1 217706152 BQUIOKBNYCHMEN-BWZBUEFSSA-N 185.227 1.473 10 10 ADCE CC[C@@H](C)[C@@H](N)CN=[N+]=[N-] 238268439 HQGXYYXZWFZHRD-RITPCOANSA-N 142.206 1.670 10 10 ADCE CN[C@@H](C)c1c(F)ccc(F)c1O 238322271 MIPZBTXQYCIVRL-YFKPBYRVSA-N 187.189 1.951 10 10 ADCE CN[C@H](C)c1cc(C)cc(N)c1O 238330069 GZVTZIANBGJHOJ-SSDOTTSWSA-N 180.251 1.563 10 10 ADCE C[C@H](N)c1cc(N(C)C)ccc1O 257942336 DHRVLSJGYSDHGT-ZETCQYMHSA-N 180.251 1.478 10 10 ADCE C[C@@H](N)Cc1ccc(F)c(O)c1O 258108642 PJYVKXDUFXJNAN-RXMQYKEDSA-N 185.198 1.127 10 10 ADCE Oc1ccccc1C12CC(C1)N2 258162202 LTOQPEPSMGEXEC-UHFFFAOYSA-N 161.204 1.353 10 10 ADCE [N-]=[N+]=CC(=O)C12C[C@@H]3CC1C[C@H](C3)C2 306668899 GHOFZWOFRPJTIE-PCWJGIJCSA-N 190.246 1.682 10 10 ADCE O=C1OC[C@@H]2CCCC[C@@H]2/C1=C\O 393544214 CWLAIBWYXYYFSD-LSUQNPSCSA-N 182.219 1.792 10 10 ADCE [N-]=[N+]=NC1(C2CC2)CCNCC1 669385045 VCJBTYMCDJKMAA-UHFFFAOYSA-N 166.228 1.829 10 10 ADCE C[C@H]1C/C(=C\c2nccn2C)CCN1 690650399 WPYOUJMKPULGIF-CUQRQBARSA-N 191.278 1.575 10 10 ADCE CC1CC(C(=O)NCCN=[N+]=[N-])C1 691896326 DLMCRHYORDCTRB-UHFFFAOYSA-N 182.227 1.459 10 10 ADCE [N-]=[N+]=NCCOC[C@@H]1CCCO1 693122599 PRHVMMUZPUFAHM-ZETCQYMHSA-N 171.200 1.492 10 10 ADCE CC[C@H](O)CN(C)c1ccc(N)cc1 702097287 KPRHWCGWKIFSDP-NSHDSACASA-N 194.278 1.476 10 10 ADCE CCc1occc1-c1[nH]nc(N)c1F 706056621 ROWSXXKXQKRKLH-UHFFFAOYSA-N 195.197 1.953 10 10 ADCE CNC1(c2c(O)cc(O)cc2O)CC1 1535671256 SWIAXCYMLJQWNV-UHFFFAOYSA-N 195.218 1.012 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cccnc1 1535876577 XDNBTIMMSTXFKU-SSDOTTSWSA-N 164.168 1.425 10 10 ADCE NC[C@@H]1C[C@@H]1Nc1ccc(N)cc1 1883153181 MUNXTFNYXPULBD-XVKPBYJWSA-N 177.251 1.028 10 10 ADCE C[C@]1(CCO)CCN1CCN=[N+]=[N-] 1884166883 WOMLWWFVKVDGOB-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE COCc1nccn1CCCN=[N+]=[N-] 1885819172 SAXHCQJECSXEBK-UHFFFAOYSA-N 195.226 1.730 10 10 ADCE COc1ccncc1[C@H](CO)N=[N+]=[N-] 1951438672 MOLAUBPKDFQERE-ZETCQYMHSA-N 194.194 1.434 10 10 ADCE CCCOC1CN(CCCN=[N+]=[N-])C1 1955279515 AVDNZBJQBIZHEZ-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCCCCN1N[C@H]2CC[C@H]1C2 1957245336 WYLNEWLASKIXNA-IUCAKERBSA-N 195.270 1.818 10 10 ADCE CC1(CN)CN(CCCCN=[N+]=[N-])C1 1957249196 ISMGSTYXOKLPMM-UHFFFAOYSA-N 197.286 1.358 10 10 ADCE Nc1ccc(N[C@H]2[C@@H]3CCO[C@@H]32)cc1 2297038062 GMYWRURRYJHDLB-DCAQKATOSA-N 190.246 1.468 10 10 ADCE NCCCCSc1nccs1 40677156 NDRPMYKUUZXQSG-UHFFFAOYSA-N 188.321 1.974 10 10 ADCE CC[C@@H](C)[S@@](=O)CCN=[N+]=[N-] 42416621 KSMBKBOMTXIURA-KSBSHMNSSA-N 175.257 1.844 10 10 ADCE [N-]=[N+]=CC(=O)c1ccccc1Cl 79572676 DRQUDUJYKSPMMS-UHFFFAOYSA-N 180.594 1.823 10 10 ADCE CCC[C@H](N)c1ccc(O)c(O)c1O 82726980 BWBDFEPRUBWECV-ZETCQYMHSA-N 197.234 1.603 10 10 ADCE NCc1sc2c(c1O)CCCN2 82887762 XFTIELMWYBYNLO-UHFFFAOYSA-N 184.264 1.271 10 10 ADCE CNCc1ccc2[nH]cc(C)c2c1O 82888073 PRPDTNREDHEFCV-UHFFFAOYSA-N 190.246 1.901 10 10 ADCE CN(C)Cc1cc(F)cc(CN)c1O 82914948 RIMXPFFWOHSCOU-UHFFFAOYSA-N 198.241 1.052 10 10 ADCE Cc1csc(C=O)c1O 84227627 QODOVGQVNPDNQJ-UHFFFAOYSA-N 142.179 1.575 10 10 ADCE Cc1scc(C(=O)O)c1O 84230334 OJHXLTDNQUJKAZ-UHFFFAOYSA-N 158.178 1.460 10 10 ADCE N[C@H](CC1CC1)c1ccc(O)c(O)c1 95659213 AXPWSIODSQMZIE-SECBINFHSA-N 193.246 1.898 10 10 ADCE CCc1cc(C)c(O)c([C@H](N)CN)c1 95783119 OSWJOXUOOSAQMT-SNVBAGLBSA-N 194.278 1.222 10 10 ADCE C[C@H]1C[C@H](C)N(C[C@@H](O)CN=[N+]=[N-])C1 203325845 YGVLNUUWJTUVJZ-CIUDSAMLSA-N 198.270 1.388 10 10 ADCE COc1c(F)ccc(O)c1O 212046613 ZUIGQDIZHFMREM-UHFFFAOYSA-N 158.128 1.246 10 10 ADCE Oc1cc(Cl)cc2c1CNCC2 213104949 YZKWFAGBQLVRPG-UHFFFAOYSA-N 183.638 1.691 10 10 ADCE CCC[C@@H](CN=[N+]=[N-])C(N)=O 238795710 DQPIHOXCFISSNC-YFKPBYRVSA-N 156.189 1.198 10 10 ADCE NCC1(c2c(F)ccc(O)c2O)CC1 257977245 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[N-]=[N+]=NCCN1C[C@H]2CC[C@]2(CO)C1 1896245705 LANCEQAPGXGVMR-RKDXNWHRSA-N 196.254 1.001 10 10 ADCE C[C@H]1CC[C@H](C(=O)NCCN=[N+]=[N-])C1 1912161106 FGOQYFAVERZJQI-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE CS(C)(=O)=NCCN=[N+]=[N-] 1912208574 TXRDXBRWMRYECD-UHFFFAOYSA-N 162.218 1.024 10 10 ADCE NNCc1cc2ccccc2cc1O 1951382386 GGVVMXHMZSACKH-UHFFFAOYSA-N 188.230 1.509 10 10 ADCE COC(=O)C12COC(CN=[N+]=[N-])(C1)C2 1955375860 KKFSOXJCYLCDPQ-UHFFFAOYSA-N 197.194 1.019 10 10 ADCE CN(CCCN=[N+]=[N-])Cc1cnco1 1955753514 AVRVQGYOXVQVLU-UHFFFAOYSA-N 195.226 1.807 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@]1(C)CN 1957244688 RQNAQWMBFFREPZ-IUCAKERBSA-N 197.286 1.213 10 10 ADCE CCC/N=[N+](\[O-])CCC 5819434 NOLAXNLVEYHWHM-FPLPWBNLSA-N 130.191 1.769 10 10 ADCE [N-]=[N+]=NCCc1ccncc1 42391393 FXJZRDQREHTBKN-UHFFFAOYSA-N 148.169 1.934 10 10 ADCE COc1ccc(CN(C)O)c(O)c1 82875599 PLXREQPKHHSUJA-UHFFFAOYSA-N 183.207 1.222 10 10 ADCE CC[C@@H](N)c1cc(C)cc(C=O)c1O 104505986 WCIXZFKZSUNPGE-SNVBAGLBSA-N 193.246 1.923 10 10 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CC[C@@H](NOC)c1ccccc1O 134240979 YVOSWCYBMBVAAN-SECBINFHSA-N 181.235 1.994 10 10 ADCE O=C1CC[C@H]2CCCC[C@@H]2C1=O 146450796 VDWXOUWLBJFRLF-SFYZADRCSA-N 166.220 1.725 10 10 ADCE CCOC(=O)[C@@H](N=[N+]=[N-])C(C)C 196099738 GCXQYMXTWCIWBZ-LURJTMIESA-N 171.200 1.884 10 10 ADCE [N-]=[N+]=N[C@H](C1CCCCC1)[C@H](O)CO 196531645 UDZQHFOSULRAIE-RKDXNWHRSA-N 199.254 1.599 10 10 ADCE Nc1ccc(N2CCC(=O)C2)cc1 200146698 WPPWPTQXCJFEOB-UHFFFAOYSA-N 176.219 1.048 10 10 ADCE CCc1cc([N+](=O)[O-])cc(O)c1O 201214257 CHRXMXOIMAZBRB-UHFFFAOYSA-N 183.163 1.568 10 10 ADCE C[C@@H]1CCCN(C[C@@H](O)CN=[N+]=[N-])C1 203326090 QQZFEAHPGAFRCI-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE N[C@@H](CF)c1ccc2c(c1O)OCO2 238575584 OYZDVLIYJQMBJE-LURJTMIESA-N 199.181 1.090 10 10 ADCE C=Cc1ccc(O)c2c1OCC[C@@H]2N 238594441 ZXKJTCLPDBDTHS-QMMMGPOBSA-N 191.230 1.818 10 10 ADCE OCc1sc2c(O)cccc2c1O 306690551 PJEWVKBCNDOVGB-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE O[C@@H]1CCc2cc(N3CCC3)ccc21 1886428632 FITFTRCFIBGOBR-GFCCVEGCSA-N 189.258 1.876 10 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GFZNWYPSGACESY-SECBINFHSA-N 199.225 1.302 10 10 ADCE CCNC[C@@H](C)CN=[N+]=[N-] 1953192651 FJIWZTGIKDYYOU-ZCFIWIBFSA-N 142.206 1.542 10 10 ADCE [N-]=[N+]=NCCCNC(=O)C1[C@@H]2CC[C@@H]12 1955485593 FTDWFLHYNDCGRV-RNFRBKRXSA-N 194.238 1.459 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCCNC1 1957244713 SBBYCVASBFVTFL-SECBINFHSA-N 197.286 1.228 10 10 ADCE [N-]=[N+]=C1C(=O)c2ccccc2N=C1O 3957605 JFWJNYGRYYTVGM-UHFFFAOYSA-N 187.158 1.142 10 10 ADCE CCC(=O)C(=O)C(C)(C)C 34722049 JBHFLKRLPGLKPE-UHFFFAOYSA-N 142.198 1.581 10 10 ADCE CCN(C)c1cc(CN)c(N)cc1F 82638128 BIBHOQPGCVVMHS-UHFFFAOYSA-N 197.257 1.323 10 10 ADCE CCc1ccc([C@H](N)[C@H](C)O)c(O)c1 95783202 JJDBYWDAZKOCSX-WRWORJQWSA-N 195.262 1.335 10 10 ADCE NC[C@H](CF)c1ccc(O)c(O)c1 107130840 SDVFIMIGJACSGR-ZETCQYMHSA-N 185.198 1.110 10 10 ADCE NCc1cc2c(cc1O)CCC2 108285146 HJSVBKBPQQVWFG-UHFFFAOYSA-N 163.220 1.340 10 10 ADCE CN1CCO[C@@](C)(CN=[N+]=[N-])C1 238302756 QHJCSJRZICCGKJ-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE [N-]=[N+]=NCCC(=O)Nc1nccs1 238634397 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95658944 AOXDZGVYYCHWKC-SNVBAGLBSA-N 181.235 1.754 10 10 ADCE Cc1cc(F)cc([C@H](C)N)c1O 95683139 FLWCKCBZKFGQRG-LURJTMIESA-N 169.199 1.859 10 10 ADCE Nc1ccc([C@H]2CCCCN2)c(O)c1 199387838 PUOLMOPHNGASMN-SNVBAGLBSA-N 192.262 1.789 10 10 ADCE COc1ccc([C@H](C)N)c(O)c1F 214406373 FRIQTPIVTLGLHT-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE O=C(O)CCC(=O)C(=O)C1CCCC1 219642466 YWSJBPKWECYCBE-UHFFFAOYSA-N 198.218 1.180 10 10 ADCE C[C@@]1(O)CCN(CCCN=[N+]=[N-])C1 235417317 CEHJJERCQXPUEW-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE CCc1cc(N(C)CN)ccc1OC 258937079 SNNGZWOOVGHEEA-UHFFFAOYSA-N 194.278 1.610 10 10 ADCE CC1=C/C(=C(\O)N=N)C=CN1 307141695 DIYXIPMWQUQSMS-YFWNPAQZSA-N 151.169 1.808 10 10 ADCE CN=NC1=CN(CCCN)CCC1 308022331 UHASJPHYZLEKFA-UHFFFAOYSA-N 182.271 1.354 10 10 ADCE C[C@H](O)/C=C\CN=[N+]=[N-] 687756409 WNFLKTLHFZBXAS-KQLGLEPJSA-N 127.147 1.234 10 10 ADCE C[C@@H]1C[C@@]1(C)C(=O)NCCCN=[N+]=[N-] 704356805 NJOQUSFBJKLTMN-VXNVDRBHSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=NCCN1CC2(CCOCC2)C1 1912204620 BLOCHAFXACNPDO-UHFFFAOYSA-N 196.254 1.409 10 10 ADCE [N-]=[N+]=NCc1cncc(O)c1 1951381560 NRRDBONIGMLQMN-UHFFFAOYSA-N 150.141 1.598 10 10 ADCE CC(=O)C(=O)c1cccc(N(C)C)c1 1951488160 BXQZXZHUDJWQKH-UHFFFAOYSA-N 191.230 1.524 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CC[C@H](C1)N2 1957245148 WBQKDPGKOMIPAU-DTORHVGOSA-N 195.270 1.123 10 10 ADCE CCOc1ccc(O)c(O)c1F 2054936996 WGPJHPHGFSSOLK-UHFFFAOYSA-N 172.155 1.636 10 10 ADCE C[C@@H](O)[C@H]1CNc2ccccc2N1 2209208085 UVUGJGNXPADZDQ-GMSGAONNSA-N 178.235 1.273 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H](CO)C1 42415716 AEOPFXHNDWRCNI-QMMMGPOBSA-N 184.243 1.001 10 10 ADCE CC[C@@H](C)N[C@@H](CN=[N+]=[N-])C(=O)O 85622291 WVFHLPHOKNYLCT-RITPCOANSA-N 186.215 1.138 10 10 ADCE COc1cccc(O)c1[C@H](N)C1CC1 95669160 AUBPDFOIVNMCRS-LLVKDONJSA-N 193.246 1.811 10 10 ADCE C=C(O)c1cccc(O)c1O 100206430 SHCGIWKLRHWLGK-UHFFFAOYSA-N 152.149 1.627 10 10 ADCE N=Nc1ncco1 115112084 SKFMHMMRGYBFEM-UHFFFAOYSA-N 97.077 1.337 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1c1ccco1 136866070 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1.110 10 10 ADCE CCOCCCN1CC[C@H](N=[N+]=[N-])C1 1912164379 ADAFKYRQIVTYKH-VIFPVBQESA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]1C(F)(F)F 1912174658 CBDLESKIUISRAV-YFKPBYRVSA-N 194.160 1.933 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@H](C)CC1 1929201165 BWYDJEROTKVNCL-KWQFWETISA-N 198.262 1.476 10 10 ADCE CN(C#N)Cc1ccc(N)cc1 1929661174 KEJVDQCEQLRPOX-UHFFFAOYSA-N 161.208 1.182 10 10 ADCE CC[C@@H]1C[C@@]1(N)c1ccc(O)cc1O 1951729503 PXBCORMQTIODAZ-HQJQHLMTSA-N 193.246 1.682 10 10 ADCE CCc1cc(O)c(O)c(C(C)=O)c1 2060113515 NECFLCAXUQQMLW-UHFFFAOYSA-N 180.203 1.863 10 10 ADCE Cc1cc(O)c(N)s1 2080415402 XXAOTTXKCUHKDG-UHFFFAOYSA-N 129.184 1.344 10 10 ADCE CN(C)C1CCN(CCN=[N+]=[N-])CC1 42415945 RAXXDILOOSMBQI-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE COc1ccc2c(c1)/C(=C\O)C(=O)N2 101661378 UDQDJSBQVNJISQ-VMPITWQZSA-N 191.186 1.546 10 10 ADCE CC(=O)N1CCC[C@@H]1CN=[N+]=[N-] 196512115 GJYLMUDGZWWREF-SSDOTTSWSA-N 168.200 1.308 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H]2C=CC[C@@H]21 238535002 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[N-]=[N+]=NCCN1CC[C@@H]2CC[C@@H]21 1912151579 JBQNZHKIBHXSQG-YUMQZZPRSA-N 166.228 1.781 10 10 ADCE CN1CCC[C@H](CN=[N+]=[N-])C1=O 1912155459 LCMUBTVPQPNHIH-ZCFIWIBFSA-N 168.200 1.165 10 10 ADCE Cc1cccc([C@H]2NCC[C@H]2O)c1O 1952070143 LCRMTSUEVZYHQE-NXEZZACHSA-N 193.246 1.096 10 10 ADCE CCN=c1ccc(CN=[N+]=[N-])n[nH]1 1954832509 MVNPVBFPYRNVNV-UHFFFAOYSA-N 178.199 1.141 10 10 ADCE C[C@@H]1CO[C@H](CN(C)CCN=[N+]=[N-])C1 1954961794 CINOEBYUBZTCIT-IUCAKERBSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCc1cccc(N)c1[N+](=O)[O-] 2209872684 GFXJUFFJXVWLCL-UHFFFAOYSA-N 193.166 1.987 10 10 ADCE CCC1(CN2CC(N=[N+]=[N-])C2)COC1 2241907054 LRWDBIBSMKPIAC-UHFFFAOYSA-N 196.254 1.408 10 10 ADCE CC(=O)N(C)[C@H](C)c1ccccc1O 38089511 DUNAGSZBMSHDRC-MRVPVSSYSA-N 193.246 1.932 10 10 ADCE CCOC(=O)c1scc(N)c1O 39083218 BZDNVIRBWJPMQE-UHFFFAOYSA-N 187.220 1.213 10 10 ADCE Nc1ccc(CNC2CCC2)cc1 52212306 LTUGETIRNBNHPW-UHFFFAOYSA-N 176.263 1.911 10 10 ADCE COC[C@H](N)c1ccc(N(C)C)cc1 84454982 JKOIGDQVBJBXJZ-NSHDSACASA-N 194.278 1.399 10 10 ADCE CNCc1c(O)ccc(F)c1F 107333304 ZRYROPYRURENGW-UHFFFAOYSA-N 173.162 1.390 10 10 ADCE COC(=O)/C(C=C(C)C)=C/O 111351320 FTXSRGLQMZZFQL-FNORWQNLSA-N 156.181 1.568 10 10 ADCE CC[C@H](CCO)Nc1ccccc1N 123502587 MUPFDTOXUVHUSO-SECBINFHSA-N 194.278 1.842 10 10 ADCE Cc1ccc(O)c([C@H](N)CCO)c1F 214158383 YUYBKHUOZRKSRV-SSDOTTSWSA-N 199.225 1.222 10 10 ADCE CC(C)(C)N1CC(N=[N+]=[N-])C1 238090070 LIGCQEUYFSUVDV-UHFFFAOYSA-N 154.217 1.779 10 10 ADCE CC1(C)O[C@@H]2OC[C@@H](N=[N+]=[N-])[C@@H]2O1 238190649 PUAKPRQXHCBPAA-SRQIZXRXSA-N 185.183 1.173 10 10 ADCE COc1cccc(O)c1C1(N)CCC1 238381576 SZWOZKNPOIYQDV-UHFFFAOYSA-N 193.246 1.739 10 10 ADCE C[C@@H](CC(C)(C)O)N=[N+]=[N-] 238393961 VINFIDPEADJFTB-YFKPBYRVSA-N 143.190 1.846 10 10 ADCE N=C1C=CC(=N)c2cnccc21 238565559 REHXUZVAFGFECW-UHFFFAOYSA-N 157.176 1.387 10 10 ADCE O=C1CC[C@@H](c2cccc(F)c2O)N1 238723933 OCBQLKLQQYJZQG-QMMMGPOBSA-N 195.193 1.482 10 10 ADCE CC(=O)C(=O)CSC(C)(C)C 307638324 YCLKRPGTXKUULK-UHFFFAOYSA-N 174.265 1.676 10 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CKUGRMSDBDIJRN-QMMMGPOBSA-N 195.262 1.638 10 10 ADCE CC(=O)[C@@H](C)Oc1ccc(N)cc1 31897363 ACXNQZMRCAYNDU-MRVPVSSYSA-N 179.219 1.625 10 10 ADCE CN(C=O)Cc1ccc(N(C)C)cc1 83145642 MRBBKXHMCWISRD-UHFFFAOYSA-N 192.262 1.341 10 10 ADCE [N-]=[N+]=CC(=O)c1coc2ccccc12 84449782 PKXQFJOJBVZDPV-UHFFFAOYSA-N 186.170 1.916 10 10 ADCE N[C@H](c1ccc(O)c(O)c1O)C1CC1 95673176 ZURNYTSCKQUNHS-QMMMGPOBSA-N 195.218 1.213 10 10 ADCE C[C@@H](O)CCCN=[N+]=[N-] 130767238 UIFNTFSPXQCSAB-RXMQYKEDSA-N 129.163 1.458 10 10 ADCE C[C@H]1Oc2ccc(N(C)C)cc2[C@@H]1O 138081699 QQPCHXYMYFEMPN-RDDDGLTNSA-N 193.246 1.567 10 10 ADCE CCc1cc(CNO)c(O)cc1O 214328142 IKHAWPRKDUHEQH-UHFFFAOYSA-N 183.207 1.139 10 10 ADCE Cn1cnc(Oc2ccc(N)cc2)n1 236164810 SREIAWWZQPMCKQ-UHFFFAOYSA-N 190.206 1.190 10 10 ADCE [N-]=[N+]=N[C@H]1OCCC[C@@H]1CO 238718197 TULIJDHLDAAROD-RITPCOANSA-N 157.173 1.042 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@@H](CO)C1 238722898 FRTZPSBHMHTGMX-PHDIDXHHSA-N 139.158 1.234 10 10 ADCE O=C1CCC[C@H]1c1ccc(O)c(O)c1 238728608 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Nc1ccccc1N[C@@H]1CC[C@H]1O 1954547533 MYDKKLAVVRXJCX-NXEZZACHSA-N 178.235 1.204 10 10 ADCE [N-]=[N+]=NCC1(N)CC(F)(F)C1 2080986413 HHMUHOCXDCCXEZ-UHFFFAOYSA-N 162.143 1.423 10 10 ADCE [N-]=[N+]=NCCNC(=O)C[C@H]1C=CCC1 42012416 MWVBOJAWNYJWOC-QMMMGPOBSA-N 194.238 1.769 10 10 ADCE Nc1ccc(-n2ccnc2N)cc1 75843678 DJZWLXGRXKTVGA-UHFFFAOYSA-N 174.207 1.037 10 10 ADCE Cn1ccc2sc([C@H](O)CN)cc21 82909434 RIRRDGFJVXUMJN-SSDOTTSWSA-N 196.275 1.232 10 10 ADCE NCCc1sc2c(c1O)CCCO2 106749744 KRMINRSMKZSSHX-UHFFFAOYSA-N 199.275 1.280 10 10 ADCE CO[C@H](C)CN(C)c1ccc(N)cc1 167204618 AEFMQTDQVSLWRR-SECBINFHSA-N 194.278 1.740 10 10 ADCE COc1ccc(N(C)C)c(C(C)=O)c1 202127444 DAYBKAZYZXGFIN-UHFFFAOYSA-N 193.246 1.964 10 10 ADCE Oc1c(F)ccc([C@@H]2CCNC2)c1O 212167593 BHVUENYNEXKVLY-ZCFIWIBFSA-N 197.209 1.314 10 10 ADCE CC[C@H](CCCO)N=[N+]=[N-] 238299157 YWPPXZXPVBDCRE-ZCFIWIBFSA-N 143.190 1.848 10 10 ADCE NC1(c2cc(O)ccc2O)CCC1 258117574 ZQZPCRJLSRCKNA-UHFFFAOYSA-N 179.219 1.436 10 10 ADCE C[C@@H](CCO)Nc1c(N)cccc1F 306433360 WRSSTBQEHOJNRH-ZETCQYMHSA-N 198.241 1.591 10 10 ADCE OCc1ccc(O)c2scc(O)c12 307080468 GKPJMUCEDWFTDN-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE [N-]=[N+]=NCCc1ccncn1 719667497 MYFLEIBUFZMKBV-UHFFFAOYSA-N 149.157 1.329 10 10 ADCE CCn1nccc1CN=[N+]=[N-] 1535783254 LPEXZCUDXKEMNL-UHFFFAOYSA-N 151.173 1.713 10 10 ADCE N[C@]1(c2ccccc2O)CC1(F)F 1536100723 UBSFIGMTKJKCNV-QMMMGPOBSA-N 185.173 1.585 10 10 ADCE [N-]=[N+]=NCC1(C(=O)O)CC1 1912200505 IJWPDFUQSXBWKU-UHFFFAOYSA-N 141.130 1.162 10 10 ADCE CC(=O)C(=O)[C@H](O)C1CCCCCC1 1929166743 BBJYFJPEDAWLLT-LLVKDONJSA-N 198.262 1.476 10 10 ADCE COc1ccncc1CCN=[N+]=[N-] 1951395405 VPKLZKUBCZSQGC-UHFFFAOYSA-N 178.195 1.943 10 10 ADCE O=C1CN[C@H](c2cc(F)ccc2O)C1 1951967222 MKGRMNJTAKRRCS-VIFPVBQESA-N 195.193 1.135 10 10 ADCE COc1ccc([C@]2(C)CCN2)c(O)c1 1952211268 ODYSERVBGNHGQE-NSHDSACASA-N 193.246 1.609 10 10 ADCE CCN(C)Cc1cc(N)ccc1O 37273138 FPWNPXQGVHKBHV-UHFFFAOYSA-N 180.251 1.426 10 10 ADCE C[C@H](CCN)Sc1nccs1 40677173 ONHJEZODKFGMAO-ZCFIWIBFSA-N 188.321 1.973 10 10 ADCE C[C@]1(c2ccc(O)cc2O)CCCN1 82892657 ZJYCSBYPTVIQBD-LLVKDONJSA-N 193.246 1.696 10 10 ADCE C[C@@H](NC1CC1)c1ccc(O)c(O)c1 84353706 ATWPRNGCSLPSPG-SSDOTTSWSA-N 193.246 1.911 10 10 ADCE Cc1cc(C)c(O)c([C@@](C)(N)CO)c1 95759871 DUDITCWOKLKEDP-NSHDSACASA-N 195.262 1.175 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H](CO)C1 156859462 ACOQAUPKPBWBTB-MRVPVSSYSA-N 184.243 1.001 10 10 ADCE N[C@H]1CC[C@@H]1c1ccc(O)c(O)c1 199204903 LPJNYLKJGMMAFQ-SFYZADRCSA-N 179.219 1.303 10 10 ADCE COC1(CN=[N+]=[N-])CCNCC1 222017626 DIZUDFSZULOYGJ-UHFFFAOYSA-N 170.216 1.065 10 10 ADCE O=C1N[C@@H]2c3cocc3C[C@H]2/C1=C/O 238609139 UYXVEFFVKIZAIG-SPNLTIFNSA-N 191.186 1.065 10 10 ADCE [N-]=[N+]=CC(=O)c1cncc2ccccc12 382744249 SYJCMWKBXSHKBH-UHFFFAOYSA-N 197.197 1.718 10 10 ADCE C[C@H]1C[C@@H](O)CN(CCCN=[N+]=[N-])C1 401699219 MDKJHRYRGJBQAF-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NCCCN1CC=CC[C@H]1CO 1884401062 WVAIHUSUWBDQEJ-VIFPVBQESA-N 196.254 1.310 10 10 ADCE COC(C)(C)CCN1CC(N=[N+]=[N-])C1 1912159189 FBVVUTLBXLJEMK-UHFFFAOYSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CCC[C@@H]1CNC2 2209567169 GGZYGBHYPSBLTB-DTORHVGOSA-N 195.270 1.123 10 10 ADCE Cc1n[nH]c(C)c1NC(=O)CN=[N+]=[N-] 104702249 JBJQZLGJEZXULH-UHFFFAOYSA-N 194.198 1.275 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCC1=O 104839159 HFOUNIGSPNHKTJ-RXMQYKEDSA-N 139.158 1.808 10 10 ADCE COc1ccc(O)c([C@H](C)NO)c1 132116659 BVYVFMYLHILZAF-LURJTMIESA-N 183.207 1.441 10 10 ADCE COC(=O)C1=C(C)C(=S)CC=C1 146118103 FEAIIAOXCLNAAJ-UHFFFAOYSA-N 182.244 1.806 10 10 ADCE CC(=S)CC(=O)C(C)C 215644290 ZJOJZNYWMJYABP-UHFFFAOYSA-N 144.239 1.991 10 10 ADCE CON1C(=O)/C(=C/O)c2ccccc21 218485022 JMSBRCAPSZOMDR-SOFGYWHQSA-N 191.186 1.494 10 10 ADCE CCOC(=O)[C@H](CCN=[N+]=[N-])C(C)=O 238250859 HNDRCERHYXLSHA-SSDOTTSWSA-N 199.210 1.455 10 10 ADCE CONCc1c(O)cccc1OC 258176666 WHXPMASGHTXJHO-UHFFFAOYSA-N 183.207 1.052 10 10 ADCE C[C@@H](CCN)c1ccc(F)c(O)c1O 258275260 ZMTKXCCEHWYXCC-LURJTMIESA-N 199.225 1.689 10 10 ADCE CC[C@@H](CO)N(C)CCCN=[N+]=[N-] 382114131 AEBBXXHCPJHHPD-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE COC1(C)CN(CCCN=[N+]=[N-])C1 382601982 NOWFHQWVBLIULO-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC[C@H]1[C@H](CO)CCN1CCN=[N+]=[N-] 385637334 JLHFQJIUBBCFJI-IUCAKERBSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NCCCN1CC2(CCCO2)C1 705764342 DTOFIMOYWUMRIU-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE CCC[C@H]1CN(CCN=[N+]=[N-])CCO1 708877948 FVPWCNNLYMXRKK-VIFPVBQESA-N 198.270 1.798 10 10 ADCE Oc1cccc(F)c1CN1CCC1 1137831741 LSNBJXHOAKTXEA-UHFFFAOYSA-N 181.210 1.737 10 10 ADCE C[C@]12CO[C@](CN=[N+]=[N-])(C1)C2 1880404555 KKYUJXWTTLJRCL-KNVOCYPGSA-N 153.185 1.866 10 10 ADCE C[C@@H]1[C@H](O)CN1CCCCN=[N+]=[N-] 1882447465 PUVLVEZZCOCPQC-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE Nc1ccc(N[C@@H]2[C@@H]3C[C@@H]2CN3)cc1 1888923252 QINIFQUOBCGSET-GGVZMXCHSA-N 189.262 1.041 10 10 ADCE C[C@H](O)[C@@H](C)N1CCC[C@@H](N=[N+]=[N-])C1 1912159815 MVMQFWCACHHSMJ-HRDYMLBCSA-N 198.270 1.530 10 10 ADCE CC=CC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912174812 DXLZERAUKUOFAR-ZETCQYMHSA-N 180.211 1.474 10 10 ADCE CN1CCN(CCCCN=[N+]=[N-])C1=O 1912204754 LGFQIDMOSXIZBR-UHFFFAOYSA-N 197.242 1.444 10 10 ADCE N[C@@H](c1ccccc1O)[C@@H]1CCCO1 1928472299 ZJNHCUKUMVGPPZ-QWRGUYRKSA-N 193.246 1.571 10 10 ADCE CC(C)(O)[C@@H](N)c1cc(F)ccc1O 1951474725 GFZNWYPSGACESY-VIFPVBQESA-N 199.225 1.302 10 10 ADCE Cc1ccc(O)c([C@H]2NCC[C@H]2O)c1 1952058129 AFYCJPZFYCWBML-GHMZBOCLSA-N 193.246 1.096 10 10 ADCE Oc1cccc(F)c1CNN1CCC1 1955544953 OKXUZTYKWCSOSM-UHFFFAOYSA-N 196.225 1.242 10 10 ADCE CN(CCN=[N+]=[N-])CC1=CCCOC1 1956267632 AFJAJDOTVOJLOQ-UHFFFAOYSA-N 196.254 1.575 10 10 ADCE CNC[C@@H]1CCCN(CCN=[N+]=[N-])C1 1957248026 ZTDAQSRCYFCYFQ-VIFPVBQESA-N 197.286 1.228 10 10 ADCE COC(=O)c1cc(O)c(O)cc1F 2055196477 SFFFYYBPXLYXER-UHFFFAOYSA-N 186.138 1.024 10 10 ADCE Cc1ccc([C@H](N)CCO)c(O)c1 44234189 MBCMJHMGCCCCKH-SECBINFHSA-N 181.235 1.083 10 10 ADCE c1cc2n(c1)CC1=C2CNCC1 82405288 HLHPWEWRBDOJHM-UHFFFAOYSA-N 160.220 1.249 10 10 ADCE C[C@H]1CS[C@@H](CN=[N+]=[N-])N1 87603407 LNZURHYMZODYRF-WHFBIAKZSA-N 158.230 1.348 10 10 ADCE C[C@H](NO)c1ccc(N(C)C)cc1 132042109 FXOSFVGLACUQMU-QMMMGPOBSA-N 180.251 1.792 10 10 ADCE COc1ccc(O)c(C(C)(C)N)c1F 214976433 LGZZZWUFXWUNFM-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE O=C(O)[C@@H]1C[C@@H]1c1cccc(O)c1O 238668493 YEYCXMGSCNLTNY-RNFRBKRXSA-N 194.186 1.286 10 10 ADCE [N-]=[N+]=NCCC[C@@H]1CCCN1 403599072 CREWNMMFGVKGGH-ZETCQYMHSA-N 154.217 1.829 10 10 ADCE CC(C)N1CC[C@@H](N)[C@@H]1CN=[N+]=[N-] 642852610 LXUFPLKBUDAWFA-SFYZADRCSA-N 183.259 1.107 10 10 ADCE CCOC1=C=C(C)N=C(N=[N+]=[N-])N1 885367356 PHIOKJNNYOBHGU-UHFFFAOYSA-N 179.183 1.637 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN(C(N)=O)C1 885429525 BQMVOEVUHYPAEA-LURJTMIESA-N 183.215 1.087 10 10 ADCE COc1cccnc1[C@H](CO)N=[N+]=[N-] 1535745559 QVSZWBAWBVWJJP-LURJTMIESA-N 194.194 1.434 10 10 ADCE CNC1(c2ccc(OC)cc2O)CC1 1535852897 ZGLXQGODKHZCDE-UHFFFAOYSA-N 193.246 1.609 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1C[C@@H]1CF 1883123244 ANNHSYSQJRJNNJ-PHDIDXHHSA-N 186.190 1.019 10 10 ADCE Nc1ccc(N2CC=C[C@@H]2CO)cc1 1884416672 XTZAIEVVTYIUMP-LLVKDONJSA-N 190.246 1.006 10 10 ADCE CC(C)C[C@@H]1CN[C@H](CN=[N+]=[N-])OC1 1884861567 GXMHCFRNXYZMNL-BDAKNGLRSA-N 198.270 1.905 10 10 ADCE C[C@@H](N)CCCOc1ccc(N)cc1 1896302860 LQTXQFVRINAKCC-SECBINFHSA-N 194.278 1.775 10 10 ADCE Cc1ccc(O)c([C@H]2NCCC2=O)c1 1951852031 BPDIEDRHJGUAOJ-LLVKDONJSA-N 191.230 1.304 10 10 ADCE C[C@@]1(c2cc(F)ccc2O)CC(=O)N1 1951873438 SWFBAJVTQKNLMZ-JTQLQIEISA-N 195.193 1.266 10 10 ADCE CC[C@@]1(C)CC(=O)N(CCN=[N+]=[N-])C1 1956781656 KTQGAOAOTLNOFE-VIFPVBQESA-N 196.254 1.945 10 10 ADCE Cc1scc(O)c1N 2080394487 NHHCVWGXYMNAMG-UHFFFAOYSA-N 129.184 1.344 10 10 ADCE COC(=O)CSCCN=[N+]=[N-] 42416442 YKZUSJLKKSJQHH-UHFFFAOYSA-N 175.213 1.203 10 10 ADCE CN(O)Cc1cccc(F)c1O 82855397 CCLOVSOGGVIMCP-UHFFFAOYSA-N 171.171 1.352 10 10 ADCE [N-]=[N+]=CC(=O)c1ccc(F)c(F)c1 84447161 AFSLOBOUIKNVEJ-UHFFFAOYSA-N 182.129 1.448 10 10 ADCE Cc1ccc([C@@H]2CNC(=O)N2)c(O)c1 95690237 IFYHURDLDHJDAL-QMMMGPOBSA-N 192.218 1.055 10 10 ADCE C[C@@H](N=[N+]=[N-])C(=O)NC(C)(C)C 104701551 HCWUQSBFZSSRGF-RXMQYKEDSA-N 170.216 1.600 10 10 ADCE CCOC(=O)[C@H](CC)N=[N+]=[N-] 106164881 HKWFNMOQDFYPAJ-YFKPBYRVSA-N 157.173 1.638 10 10 ADCE Cc1cccc([C@H](O)CN=[N+]=[N-])n1 142681488 UHQJQQXKDSCCJU-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE C[C@H](C(=O)NCCN=[N+]=[N-])C1CC1 164063957 HPFGJNGRUPFFGR-LURJTMIESA-N 182.227 1.459 10 10 ADCE CC(C)(N)CCc1ccc(N)cc1 204312179 DVSYNJVNYTVVEG-UHFFFAOYSA-N 178.279 1.939 10 10 ADCE CCc1cc(CN)c(O)cc1OC 214270018 WSIMVODWDOUXHO-UHFFFAOYSA-N 181.235 1.422 10 10 ADCE CCC(=O)CCN=[N+]=[N-] 218510946 ASHFTGJZRXDEPR-UHFFFAOYSA-N 127.147 1.666 10 10 ADCE CC(=O)O[C@]1(C)C=C[C@H](N=[N+]=[N-])OC1 238079907 CQBMEHMADSMQEY-HTQZYQBOSA-N 197.194 1.531 10 10 ADCE [N-]=[N+]=NC1C[C@@H]2CNC[C@H]2C1 238588397 OPCPMVPTLRLODA-PHDIDXHHSA-N 152.201 1.295 10 10 ADCE Nc1ccc(NC(=S)C(=O)O)cc1 238605038 QLAVXUTUGJAPRL-UHFFFAOYSA-N 196.231 1.093 10 10 ADCE N[C@H](c1ccc(O)cc1O)C(F)F 238653901 NSGIXFXMCVHCEH-SSDOTTSWSA-N 189.161 1.363 10 10 ADCE CC[C@@H]1CNCc2c(O)cccc21 258323002 UMCWZTASPCKTNW-MRVPVSSYSA-N 177.247 1.989 10 10 ADCE COC(=O)/C(C)=C/CN=[N+]=[N-] 307650277 HHLFIIZHIATBQB-HWKANZROSA-N 155.157 1.416 10 10 ADCE CO[C@@H]1CC[C@H](C)N(CCN=[N+]=[N-])C1 687203065 CMOAWABZNRJXQP-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=N[C@@H]1C(Cl)=CCC[C@@H]1O 687762957 LVMBCNGYTWNVRG-NTSWFWBYSA-N 173.603 1.943 10 10 ADCE [N-]=[N+]=NCCO[C@H]1CC1(F)F 688985598 KNFZFIOSBNUODA-BYPYZUCNSA-N 163.127 1.721 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@@H]2C1 699249296 YWKPYZSTXURDET-JGVFFNPUSA-N 166.228 1.639 10 10 ADCE CC1(C)CC(=O)N(CCCN=[N+]=[N-])C1 720874622 GCVKLFUUANFHGW-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE NN[C@H](c1ccccc1O)[C@@H]1C[C@@H]1F 1884715554 PWHKAKZRODFWFS-KHQFGBGNSA-N 196.225 1.255 10 10 ADCE CN(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912157024 QSNPGQKKWLRDSY-ZCFIWIBFSA-N 183.215 1.053 10 10 ADCE CC1CC(O)(CN=[N+]=[N-])C1 1933996410 ARRYZJSLERGTCF-UHFFFAOYSA-N 141.174 1.458 10 10 ADCE NC[C@H]1C[C@@H]1Cc1ccc(O)c(O)c1 1952074370 MGRKRJMZYSNHKB-DTWKUNHWSA-N 193.246 1.235 10 10 ADCE C=CC(=O)NCC1(CN=[N+]=[N-])CC1 1954202695 XNUAZHSDYHPENH-UHFFFAOYSA-N 180.211 1.379 10 10 ADCE CN(CCCN=[N+]=[N-])CCC1COC1 1955561711 KDYKGKFXQRMCCE-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE CN1CCN(C)C1c1ccccc1O 32918898 SQGFYGAOJGUJHX-UHFFFAOYSA-N 192.262 1.268 10 10 ADCE CCNC(=O)Nc1ccc(N)cc1 34978053 LXNFSSIZJXZRRT-UHFFFAOYSA-N 179.223 1.410 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])[C@H](C)CO1 42415936 HEXVSLXJTAXODK-SFYZADRCSA-N 184.243 1.406 10 10 ADCE CCc1ccc(O)c([C@H](N)CCO)c1 82907453 VFKIPGLMBSWKKU-SNVBAGLBSA-N 195.262 1.337 10 10 ADCE C[C@@H]1CN[C@H](CN=[N+]=[N-])S1 87602889 XKJFVWBOIRIUND-UHNVWZDZSA-N 158.230 1.348 10 10 ADCE Oc1ccc(CCNF)cc1O 137655838 WODALLKZZFNQQR-UHFFFAOYSA-N 171.171 1.114 10 10 ADCE C[C@H](F)C(=O)Nc1ccc(N)cc1 146466017 GKRVUJQSUXSTHR-LURJTMIESA-N 182.198 1.565 10 10 ADCE COCc1ccc(O)c([C@H](C)N)c1 211590324 GGSLKXCSLKMLDK-ZETCQYMHSA-N 181.235 1.558 10 10 ADCE C[C@H]1CC[C@@H](CN=[N+]=[N-])O1 232016158 BYGIZUORCZMTAM-WDSKDSINSA-N 141.174 1.864 10 10 ADCE COC[C@H]1OC=C[C@@H](N=[N+]=[N-])[C@@H]1OC 238386316 MHXMETAYZIPXQC-PRJMDXOYSA-N 199.210 1.239 10 10 ADCE Cc1cccc([C@@H](N)C(F)F)c1O 238541853 HGGXPRPQXPOHLU-SSDOTTSWSA-N 187.189 1.966 10 10 ADCE Oc1cc(O)c2c(c1O)CC=CC2 238719801 LWULEKYUOWJCQB-UHFFFAOYSA-N 178.187 1.458 10 10 ADCE COc1ccc(N(C)C)cc1CCN 257962484 BWNLSWNITXJOHZ-UHFFFAOYSA-N 194.278 1.262 10 10 ADCE CC(=O)C(=O)CSCC(C)C 307908412 UMPYQQZQXJMJKK-UHFFFAOYSA-N 174.265 1.534 10 10 ADCE CC[C@H](C)NC(=O)NCCN=[N+]=[N-] 704204618 ISDCNURLKZAWBU-LURJTMIESA-N 185.231 1.394 10 10 ADCE CCCN1CC[C@H](N)[C@@H]1CN=[N+]=[N-] 711998319 FMLGQVYJWDCTDN-YUMQZZPRSA-N 183.259 1.108 10 10 ADCE Nc1ccc(CN[C@H]2C[C@H]2F)cc1 1882869441 VXUBOHPSELLICA-ZJUUUORDSA-N 180.226 1.469 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCC(C)=C1C 1884715076 MLPUKSDIARLFTP-LLVKDONJSA-N 196.246 1.396 10 10 ADCE C[C@H](NC(=O)NCCN=[N+]=[N-])C1CC1 1888751824 HECDEINUIHJRHA-LURJTMIESA-N 197.242 1.394 10 10 ADCE CC(C)(N)CCOc1ccc(N)cc1 1896285630 WJEMDQBHWQEYLY-UHFFFAOYSA-N 194.278 1.775 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)C2CC(F)C2)C1 1912170043 RMVWAVPPLLYLDS-UHFFFAOYSA-N 198.201 1.256 10 10 ADCE CN[C@H](COC)c1c(O)cccc1F 1951846016 WYANJQBREBQTSI-MRVPVSSYSA-N 199.225 1.438 10 10 ADCE COC(=O)c1sncc1CN=[N+]=[N-] 1954121300 KAOOMNQRHREMKI-UHFFFAOYSA-N 198.207 1.740 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@@H]2[C@H]2C[C@@H]21 1954172654 LAYDXDLWZSNPEW-MAUMQABQSA-N 178.239 1.637 10 10 ADCE CC(=O)C(=O)[C@](C)(O)CCC1CC1 1954361062 ZFCPCECPSAJWSH-SNVBAGLBSA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NCCCCN1CC=C[C@H](O)C1 1956267769 DAGCFMIZUOFMPM-VIFPVBQESA-N 196.254 1.310 10 10 ADCE CCCOCC1CN(CCN=[N+]=[N-])C1 1956386449 XDOXVPVQZSHUBZ-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@@]2(N)C1 1957244315 OYPFWGUCPVMYAD-RKDXNWHRSA-N 195.270 1.110 10 10 ADCE CN[C@@H]1CCCN(CCCN=[N+]=[N-])C1 1957246513 BMZXUPHWDODLJG-SECBINFHSA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCCCN1[C@H]2CC[C@H]1CNC2 1957248113 AWAAXVHPWAOAAR-IUCAKERBSA-N 195.270 1.123 10 10 ADCE C[C@@H]1C[C@H](O)[C@@H](C)N(CCN=[N+]=[N-])C1 2209756198 BOQMLDLJCUSIHH-HLTSFMKQSA-N 198.270 1.388 10 10 ADCE CCOc1ccc(N(C)C)cc1N 32007467 RYFKLIKBTGFANW-UHFFFAOYSA-N 180.251 1.734 10 10 ADCE CSCC(=O)NCCCN=[N+]=[N-] 42013032 BZQIEHWEHAHALY-UHFFFAOYSA-N 188.256 1.166 10 10 ADCE COc1ccc(N(C)C)cc1OC 82712904 OJSINGAPXRDNSN-UHFFFAOYSA-N 181.235 1.770 10 10 ADCE NC/C=C/c1ccc(O)c(O)c1 83339783 JEQQGLLTHHAKNM-OWOJBTEDSA-N 165.192 1.070 10 10 ADCE NCc1c(O)ccc2c1CCC[C@H]2O 84250519 OZVKTPWEYMMNQK-SNVBAGLBSA-N 193.246 1.221 10 10 ADCE COc1ccc2c(c1)CNCCN2C 84326992 SHADPEFYLJYSDG-UHFFFAOYSA-N 192.262 1.235 10 10 ADCE CC[C@H](N)c1cc(O)c(O)c(O)c1 95685126 SLBRSACGSNVBFN-LURJTMIESA-N 183.207 1.213 10 10 ADCE CC[C@H](N)c1c(O)cccc1F 95685844 IPFVRRJFHKXDOG-ZETCQYMHSA-N 169.199 1.941 10 10 ADCE NCc1cc(OCC2CC2)ccc1O 95722674 AXMBRQYMMFFAGV-UHFFFAOYSA-N 193.246 1.640 10 10 ADCE NCC(F)(F)c1ccc(O)c(O)c1 107270886 BFZBRFPOFDNMQP-UHFFFAOYSA-N 189.161 1.148 10 10 ADCE CCOC(=O)/N=N/c1ncccn1 137495846 OZUGOOUDRPRHFN-ZHACJKMWSA-N 180.167 1.717 10 10 ADCE CC[C@@H]1CCCN1C[C@H](O)CN=[N+]=[N-] 206125623 YCEVDSZDUMCYKU-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE Cc1cc([C@@H](C)N)c(O)c(F)c1O 214406499 TXFILBOKQVPGHF-RXMQYKEDSA-N 185.198 1.565 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2CC(=O)CCN2C1 238597021 OZXOFHJKUYIHIP-BQBZGAKWSA-N 180.211 1.103 10 10 ADCE C[C@@H](O)c1c(F)ccc(O)c1O 258002717 MBMJRULMPOZFJW-SCSAIBSYSA-N 172.155 1.290 10 10 ADCE C[C@@H]1[C@@H]2C[C@@H](C(=O)C2=O)[C@@H]1C 306250178 YHQIWHRUJLJSAT-UMRXKNAASA-N 152.193 1.047 10 10 ADCE Nc1ccc2c(O)c(N)sc2c1 306684521 IIXSRLDGYXCQRQ-UHFFFAOYSA-N 180.232 1.771 10 10 ADCE C[C@@H](/C=C\[C@@H](C)N=[N+]=[N-])C(=O)O 307919592 ZDNGVBAXDRXKGB-MDQSYURESA-N 169.184 1.962 10 10 ADCE CCc1cccc(CNN(C)C)c1O 691460866 SNBMYQKKZUJNPK-UHFFFAOYSA-N 194.278 1.521 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@H](C)O1 694895569 ZSDFFXOLOXZOLF-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC(C)n1c#cnc1CNN=N 885277846 ZUNALRAVZYWHMR-UHFFFAOYSA-N 165.200 1.100 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])C(=O)O1 1912165362 JQVJUDREBITKFC-ZETCQYMHSA-N 198.226 1.918 10 10 ADCE CC(C)[C@@]1(O)CCN(CCN=[N+]=[N-])C1 1912173301 KWWCZODTMDTKOL-SECBINFHSA-N 198.270 1.390 10 10 ADCE CC[C@@H]1CC[C@@](O)(C(=O)C(C)=O)C1 1929143070 YTNDJWTVKJYKLD-SCZZXKLOSA-N 184.235 1.086 10 10 ADCE CC(=O)C(=O)[C@@H](O)[C@H]1CC12CCCC2 1935073932 ZTTUFAWMFYSGGR-SCZZXKLOSA-N 196.246 1.086 10 10 ADCE Oc1ccc([C@@H](O)C2CCC2)cc1O 1951357151 BUEBYIVAENVKHX-NSHDSACASA-N 194.230 1.931 10 10 ADCE Cc1cc(=N)[nH]c(CN=[N+]=[N-])n1 1953644622 VTMAYWBISFCYFF-UHFFFAOYSA-N 164.172 1.008 10 10 ADCE Nc1ccc(CCn2cncn2)cc1 35677210 WIYKLVLKXVSAEA-UHFFFAOYSA-N 188.234 1.103 10 10 ADCE C=Cc1ccc(O)c([C@H](N)CO)c1 72197402 NFHGHGGUCZWNCM-SECBINFHSA-N 179.219 1.027 10 10 ADCE COc1ccc(C)c([C@H]2CCN2)c1O 95784541 PMNKIOXONVMBNG-MRVPVSSYSA-N 193.246 1.744 10 10 ADCE C[C@H]1CCCN(CCN=[N+]=[N-])C1=O 134097849 KNNDHHHGMFLZPH-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE C[C@@H]1C[C@@H](CN=[N+]=[N-])OC1=O 135757089 HWTOFXWZDDBLCN-UHNVWZDZSA-N 155.157 1.248 10 10 ADCE CC(C)(O)C(C)(C)N=[N+]=[N-] 205418621 INVZNYLZVLEXQI-UHFFFAOYSA-N 143.190 1.846 10 10 ADCE Cc1cc(N)c(O)c([C@H](C)N)c1 211799774 UPDLDAYOSLAUIZ-LURJTMIESA-N 166.224 1.303 10 10 ADCE COc1ccc([C@@H](C)N)c(O)c1F 214406430 FRIQTPIVTLGLHT-RXMQYKEDSA-N 185.198 1.560 10 10 ADCE CC[C@@H](C)O[C@@H](O)CN=[N+]=[N-] 238260686 KWNNUHDNDCKFFF-PHDIDXHHSA-N 159.189 1.430 10 10 ADCE C[C@@H](N=[N+]=[N-])c1nonc1N 238410840 KRUAWDYDLXPNMQ-UWTATZPHSA-N 154.133 1.023 10 10 ADCE [N-]=[N+]=N[C@H]1CC(CO)C[C@@H]1N=[N+]=[N-] 238702984 OSFPCMWLKIUGDM-WDSKDSINSA-N 182.187 1.747 10 10 ADCE C=Cn1cc(CN=[N+]=[N-])cn1 1535655917 NPESXBFVTQGHDF-UHFFFAOYSA-N 149.157 1.794 10 10 ADCE C[C@@H]1C[C@@H]2CN(CCN=[N+]=[N-])C[C@@H]21 1878124920 ROPPRJSUXNBEIY-IWSPIJDZSA-N 180.255 1.885 10 10 ADCE Nc1ccccc1N[C@H]1COC[C@H]1F 1888892046 LNDIOALXOLWDQX-XCBNKYQSSA-N 196.225 1.418 10 10 ADCE CO[C@H](C)[C@@H](N)c1ccccc1O 1928467489 LBTSFDXFNXJSRM-GMSGAONNSA-N 181.235 1.427 10 10 ADCE COc1ncc(F)cc1C(=O)C(C)=O 1951883568 FRMHKWLLXGKLKD-UHFFFAOYSA-N 197.165 1.001 10 10 ADCE C[C@H]1[C@@H](C)[C@@H]1C(=O)NCCN=[N+]=[N-] 1954559556 DMJHIHLTVNNJHW-ZMONIFLSSA-N 182.227 1.315 10 10 ADCE C[C@H]1C[C@]2(C(=O)NCCN=[N+]=[N-])C[C@H]12 1955596616 FATYOUIMLPDNKR-OOZYFLPDSA-N 194.238 1.459 10 10 ADCE CCN(CCCN=[N+]=[N-])CCOC 42494676 WQWBEULHOYWQEV-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE CCN(CC)C(=O)NCCCN=[N+]=[N-] 85960076 OCVAAWZFPQAJDL-UHFFFAOYSA-N 199.258 1.738 10 10 ADCE Cc1ccc(F)c(O)c1[C@@H](N)CCO 95706745 PVCFBWIHDDHZKQ-QMMMGPOBSA-N 199.225 1.222 10 10 ADCE C[C@@H](c1ccc(O)c(O)c1)C(C)(C)N 107430202 WTJVCECUVYXODI-ZETCQYMHSA-N 195.262 1.939 10 10 ADCE [N-]=[N+]=NCc1cccnc1N 219336858 TUJZSIWVQLGLSC-UHFFFAOYSA-N 149.157 1.474 10 10 ADCE CC[C@@H](N)c1c(O)ccc(OC)c1O 238269218 ZWQLYSGKYZTHAH-ZCFIWIBFSA-N 197.234 1.516 10 10 ADCE O=C(CC(F)F)C(=O)c1ccco1 238521905 OLSZLNFUYSSRSM-UHFFFAOYSA-N 188.129 1.687 10 10 ADCE CN1CC=Cc2c(N)cccc21 691707806 KPRWGUMLDWXXTM-UHFFFAOYSA-N 160.220 1.732 10 10 ADCE [N-]=[N+]=NC[C@H]1OCCC12COC2 757215263 ZODZXTCZJMFVDH-ZCFIWIBFSA-N 169.184 1.102 10 10 ADCE NCc1ccc(N2CC[C@H]2CF)cc1 1886117501 DUZSDUXQSQQFSQ-NSHDSACASA-N 194.253 1.694 10 10 ADCE [N-]=[N+]=NC1CN(C[C@]23C[C@H](CO2)C3)C1 1891498606 PSWGFAVUXSFISM-OTSSQURYSA-N 194.238 1.160 10 10 ADCE C[C@@H](C[C@@H](C)N)Oc1ccc(N)cc1 1896268979 ORQIPDVNLURDLJ-BDAKNGLRSA-N 194.278 1.773 10 10 ADCE Nc1ccc(OC[C@H]2C=CCN2)cc1 1896335151 PJWWBGBTYGEEDY-SNVBAGLBSA-N 190.246 1.176 10 10 ADCE [N-]=[N+]=NCC1(O)CCC(C(=O)O)CC1 1912144940 YRRZPAORPWMOOF-UHFFFAOYSA-N 199.210 1.303 10 10 ADCE Cc1cnc(CN2CC(N=[N+]=[N-])C2)o1 1912150674 WZSDEKSDBTVTBL-UHFFFAOYSA-N 193.210 1.478 10 10 ADCE C[C@H]1[C@@H](O)CCN1CCCN=[N+]=[N-] 1912153864 DWXCHJOBXNEEDB-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE CN(C)CCCN1CC[C@H](N=[N+]=[N-])C1 1912193792 QNFJXNSVCYKBQQ-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCCC1(C)C 1929133159 AHHYVQRPDJDRFA-LLVKDONJSA-N 198.262 1.476 10 10 ADCE Oc1cccc(F)c1[C@@H]1NCC[C@@H]1F 1952823657 NDWNIGVJPJZJLQ-OIBJUYFYSA-N 199.200 1.904 10 10 ADCE CC[C@]1(N)CCCN(CCN=[N+]=[N-])C1 1957245612 YYYAAHKXZUYXEJ-VIFPVBQESA-N 197.286 1.500 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](N)CC12CC2 1957250571 QNSYVWTWRFLOMF-QMMMGPOBSA-N 195.270 1.252 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@@H]1C(=O)O 2208963937 OGWWYOCSBIEZBM-WHFBIAKZSA-N 155.157 1.408 10 10 ADCE CC[C@H](COC)N1CC[C@H](N=[N+]=[N-])C1 2210054699 MJUUUUVIJQRXPR-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE O=C1C(=O)C2CC3CC(CC1C3)C2 4569126 DQMDAWTWJJCKHT-UHFFFAOYSA-N 178.231 1.581 10 10 ADCE C[C@H]1COCCN1CCCN=[N+]=[N-] 42415934 NDYAONMSEYKAFX-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE C[C@@H](O)CNCc1cccc(F)c1O 83343149 RMYDMXBZUAIWPG-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE Nc1ccc(NCc2c[nH]cn2)cc1 84080794 DBOWETWRTOAZJT-UHFFFAOYSA-N 188.234 1.604 10 10 ADCE Cc1ccc(O)c([C@H]2COC(=O)N2)c1 95686438 UPPGCVFJTWBIAG-MRVPVSSYSA-N 193.202 1.482 10 10 ADCE CC[C@@H](CO)Nc1c(C)cccc1N 125563736 IQRCHQFSKXICPQ-VIFPVBQESA-N 194.278 1.760 10 10 ADCE CC(=O)C(C)=S(C)C 141718027 ZJNJYBISFKEYAP-UHFFFAOYSA-N 132.228 1.296 10 10 ADCE CCC[C@@]1(OC)C=C[C@@H](OC)O1 168367406 LYFHTRSBZZPXSG-IUCAKERBSA-N 172.224 1.688 10 10 ADCE C=C=CC[C@H](O)N=[N+]=[N-] 238661012 QQGHOUGDHYLQNK-YFKPBYRVSA-N 125.131 1.346 10 10 ADCE Nc1ccc(Oc2ncc[nH]2)cc1 306962219 BVUXVMYVQOLNOQ-UHFFFAOYSA-N 175.191 1.784 10 10 ADCE C/C=C/CNCc1cccc(O)c1O 384947912 FTHFKCSSIDBGFZ-NSCUHMNNSA-N 193.246 1.764 10 10 ADCE Cc1nnc(CN=[N+]=[N-])s1 575469432 ZJIHAHQMMOBFFV-UHFFFAOYSA-N 155.186 1.657 10 10 ADCE CN(CCN=[N+]=[N-])Cc1ncccn1 718910879 RTQLWZGIFQYURW-UHFFFAOYSA-N 192.226 1.219 10 10 ADCE Nc1ncc(-c2cccc(O)c2O)[nH]1 1535731115 MGDBDZHGVWXHRE-UHFFFAOYSA-N 191.190 1.070 10 10 ADCE CC[C@H](OC)[C@H](N)c1ccccc1O 1928472630 RWFOWPMOHZWCNA-WDEREUQCSA-N 195.262 1.817 10 10 ADCE Nc1ccc(NC(=O)CF)cc1 1931398275 SKWDJRAFNKKIGM-UHFFFAOYSA-N 168.171 1.177 10 10 ADCE Nc1ccc(Oc2nnco2)cc1 1954864647 FOIJMPBPMZUKMX-UHFFFAOYSA-N 177.163 1.444 10 10 ADCE C[C@H]1C[C@H](O)CCN(CCN=[N+]=[N-])C1 1955411697 RORIHOMMGDUMAF-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE C[C@@H](O)[C@@H](O)c1ccc(N(C)C)cc1 1955943846 TZHQDRSLYGFHLW-LDYMZIIASA-N 195.262 1.167 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CCO[C@H]2C1 1956920100 UYBIIHJQARINEH-IUCAKERBSA-N 196.254 1.408 10 10 ADCE Nc1ccc(NC(=O)C2(F)CC2)cc1 1964314269 VKHKTCNSBXEVFP-UHFFFAOYSA-N 194.209 1.709 10 10 ADCE Cc1sc(CO)c(O)c1Cl 2080414435 USSIABONXFYZET-UHFFFAOYSA-N 178.640 1.908 10 10 ADCE CC1=NN[C@H](c2ccccc2O)C1 48544906 XAVAGKOVTZLSSJ-VIFPVBQESA-N 176.219 1.803 10 10 ADCE Cc1ccn(Cc2ccc(N)cc2)n1 70629257 FKVJYUGLCQGSQO-UHFFFAOYSA-N 187.246 1.822 10 10 ADCE Oc1c(F)cccc1[C@H]1CCCN1 72201537 JRIHQCCDMDNFDL-SECBINFHSA-N 181.210 1.956 10 10 ADCE CC(C)[C@@](C)(N)c1ccc(O)c(O)c1 95757000 VPHYFGQFZZGQBM-LLVKDONJSA-N 195.262 1.928 10 10 ADCE CC1(C)Oc2cc(O)c(O)cc2O1 203353559 PUVMIETYNSPVGG-UHFFFAOYSA-N 182.175 1.605 10 10 ADCE CCC[C@H]1C(=O)C(=O)C[C@@H]1C 225646013 AHRBFSYXZDKLKN-NKWVEPMBSA-N 154.209 1.581 10 10 ADCE CO[C@@H]1CN(CCN=[N+]=[N-])CC[C@@H]1C 230322152 ZEUQRTKAEYKRMP-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE CCN1C(=O)CC[C@@H]1CN=[N+]=[N-] 238250988 RRGCLDNDSJGXBQ-ZCFIWIBFSA-N 168.200 1.308 10 10 ADCE Oc1cc(F)c(F)cc1[C@@H]1CCN1 238697125 QMJYQPKDFAMEOX-QMMMGPOBSA-N 185.173 1.705 10 10 ADCE Nc1cc2c(O)csc2cc1CO 306628932 DBARZLYVRYTTGS-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE C[C@@H]1C[C@H](O)CCN1CCCN=[N+]=[N-] 706115434 PHWKOYLLPWZCGM-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE N[C@H]1CC(=O)c2c(Cl)ccc(O)c21 713759078 CFMJFCOMYIOIEQ-YFKPBYRVSA-N 197.621 1.632 10 10 ADCE COc1cc([C@H](C)CN)cc(O)c1O 1535817595 LYGQNCRYNQSONL-ZCFIWIBFSA-N 197.234 1.169 10 10 ADCE [N-]=[N+]=NC[C@@]12CCOC[C@@H]1C2 1877266184 XABQEKHUEHOFRR-BQBZGAKWSA-N 153.185 1.723 10 10 ADCE [N-]=[N+]=NC1CN(Cc2nncs2)C1 1882725134 CTMHYTRCRQQOKL-UHFFFAOYSA-N 196.239 1.033 10 10 ADCE CC(C)(C)n1nnnc1CN=[N+]=[N-] 1883447826 ONBYBEPUCPETBS-UHFFFAOYSA-N 181.203 1.238 10 10 ADCE CCN(C)CCN(CC)CCN=[N+]=[N-] 1887717441 KOZJDLLMWPHABN-UHFFFAOYSA-N 199.302 1.570 10 10 ADCE CCN[C@@H](c1ccccc1O)[C@H](C)O 1929432837 VVFGQAGFMFAJCC-GZMMTYOYSA-N 195.262 1.424 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN(CCCO)CC1 1934381277 QHBTYUOYGMYKKG-VIFPVBQESA-N 198.270 1.534 10 10 ADCE NCC=CCc1ccc(O)c(O)c1 1951403374 UDEQJQIXGAPSGQ-UHFFFAOYSA-N 179.219 1.155 10 10 ADCE Oc1cc(F)ccc1[C@H]1NCC[C@@H]1F 1952830290 UXCPZSMYKQWZCX-WCBMZHEXSA-N 199.200 1.904 10 10 ADCE CCc1cc(O)c(O)c(CC(=O)O)c1 2060130532 LSBBRFBXUJCLTN-UHFFFAOYSA-N 196.202 1.287 10 10 ADCE O=[N+]([O-])c1cc(O)cs1 2241214429 RXAYEZHCLIXPJR-UHFFFAOYSA-N 145.139 1.362 10 10 ADCE COc1ccc2c(c1)[C@@H](N)CCN2C 20446639 CHQHVSZCKLLKBI-JTQLQIEISA-N 192.262 1.535 10 10 ADCE CC(=O)c1scc(C(=O)O)c1O 39241146 GFKBLNSGCJNQLT-UHFFFAOYSA-N 186.188 1.355 10 10 ADCE CCO[C@@H](Cc1ccc(N)cc1)OC 197980894 MBBSATKYFUPGPL-NSHDSACASA-N 195.262 1.820 10 10 ADCE CCn1ccnc1/C=C\CCNC 211599996 UGWVNLSCBPEMCX-XQRVVYSFSA-N 179.267 1.526 10 10 ADCE COc1cc([C@H]2CCN2)c(O)cc1C 211648947 GZYABYYOFCCTSR-SECBINFHSA-N 193.246 1.744 10 10 ADCE C[C@@H](O)[C@@H](N)c1ccc(S)cc1O 238422319 HXMBEABSPSCFFL-MLUIRONXSA-N 199.275 1.062 10 10 ADCE C[C@H](NO)c1ccc(O)c(O)c1 238428759 MDCAPXRVCAUMEZ-YFKPBYRVSA-N 169.180 1.138 10 10 ADCE CCN[C@@H]1CCNc2cccc(O)c21 257870275 SVOVAOHERWFQLI-SECBINFHSA-N 192.262 1.858 10 10 ADCE CC(C)[C@]12C[C@H]1[C@H](C)C(=O)C2=O 306707521 MVFVKILPOBAESJ-MHYGZLNHSA-N 166.220 1.437 10 10 ADCE C[C@@H](CF)NCc1ccc(N)cc1 702588330 JMMFEQJBKAQTCV-QMMMGPOBSA-N 182.242 1.716 10 10 ADCE C[C@@H]1CCN1Cc1cc(N)ccc1O 706814319 MXSUKIZSCFMJGY-MRVPVSSYSA-N 192.262 1.569 10 10 ADCE CN1CC[C@@H]1CNc1ccc(N)cc1 710226783 LLHAESZLGTWNGD-LLVKDONJSA-N 191.278 1.385 10 10 ADCE Nc1ccc(N[C@]23COC[C@H]2C3)cc1 718061753 JRKAOFIKSPZRIB-LDYMZIIASA-N 190.246 1.470 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCCC12CCNCC2 757208732 HDDDBVMWZDPRBO-QMMMGPOBSA-N 196.254 1.455 10 10 ADCE [N-]=[N+]=N[C@H](CO)C1CCC1 1535826163 WIZUIGSHRNHFEL-ZCFIWIBFSA-N 141.174 1.458 10 10 ADCE CC1(C)CC[C@H](N=[N+]=[N-])CN1 1775955812 IHWZKRCLEORJDE-LURJTMIESA-N 154.217 1.827 10 10 ADCE Nc1ccc(N[C@H]2CC[C@H]2N)cc1 1883134171 METGOGJCEACTQX-ZJUUUORDSA-N 177.251 1.170 10 10 ADCE C[C@@H](CCN)Nc1ccccc1N 1883134499 RTSQDZLMXVCGOA-QMMMGPOBSA-N 179.267 1.418 10 10 ADCE CN1C[C@@H]2C[C@H](C1)N2CCCN=[N+]=[N-] 1887162567 DUKXKPVODLBGGX-DTORHVGOSA-N 195.270 1.075 10 10 ADCE CC[C@H](CN)Nc1c(N)cccc1F 1888905024 JCVXQNOBHGRBST-SSDOTTSWSA-N 197.257 1.557 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1CSC2 1912159440 HVYMQVNFAHXDTN-YUMQZZPRSA-N 198.295 1.877 10 10 ADCE COC[C@](C)(N)c1cc(F)ccc1O 1951658666 CNWUMWWIPUNIAF-JTQLQIEISA-N 199.225 1.352 10 10 ADCE COC(=O)C=CCN=[N+]=[N-] 2296543192 OHWCSJABSUKDGJ-UHFFFAOYSA-N 141.130 1.026 10 10 ADCE Cc1cc(F)cc([C@H](N)CCO)c1O 44236077 YIHQSAYSLSWYHM-SECBINFHSA-N 199.225 1.222 10 10 ADCE Oc1ccc(C[C@@H]2CCNC2)cc1O 82892590 QQGOONVZORYPCH-VIFPVBQESA-N 193.246 1.250 10 10 ADCE CC[C@@](C)(N)c1cc(OC)ccc1O 95747856 IXTJKPLRQFMCOF-LLVKDONJSA-N 195.262 1.985 10 10 ADCE CCCC/N=[N+](\C)[O-] 96331920 JDEWGYIODMFNQL-VOTSOKGWSA-N 116.164 1.379 10 10 ADCE CCCCCNC(=O)[C@@H](C)N=[N+]=[N-] 104701720 YXPNGVULKVHSFQ-SSDOTTSWSA-N 184.243 1.992 10 10 ADCE O=C(O)CC(=S)c1ccccc1 138444394 HKJQXUJUMKJBAS-UHFFFAOYSA-N 180.228 1.879 10 10 ADCE Cn1ccc2ncc(CCN)cc21 219462120 BDQLHBHZBXGBNR-UHFFFAOYSA-N 175.235 1.075 10 10 ADCE [N-]=[N+]=NCC1=CC2CCN1CC2 238589149 JVGQQTNUWPCOBB-UHFFFAOYSA-N 164.212 1.906 10 10 ADCE C[C@@](F)(CO)c1ccc(O)c(O)c1 257858287 UPGJGNQGQNUHKY-SECBINFHSA-N 186.182 1.275 10 10 ADCE Cc1ccc([C@H](C)C(=O)O)c(O)c1O 257965092 CFPZXFLANYRKPH-LURJTMIESA-N 196.202 1.594 10 10 ADCE C/N=N/CCCCCO 306338402 UYQBUQMJEPPRKH-BQYQJAHWSA-N 130.191 1.231 10 10 ADCE CC[C@@H](C)N1CCC(=O)[C@H]1CN=[N+]=[N-] 712062355 MUYIRFXAURSDIE-HTQZYQBOSA-N 196.254 1.739 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1C[C@@H]1F 1882851801 YUFFUFLUNIWFNL-SFYZADRCSA-N 186.234 1.977 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1CCO1 1888422458 GYXABTZZMZKSEZ-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE O=C1CC[C@H](C(=O)C2CCCC2)C1=O 1956243992 YQQNJRDIPJXOFT-MRVPVSSYSA-N 194.230 1.294 10 10 ADCE COC(=Cc1ccc(O)c(O)c1)CO 1956927448 BNXREGIMZAIVDC-UHFFFAOYSA-N 196.202 1.077 10 10 ADCE CCc1ccc(O)c([C@@H](N)[C@@H](C)O)c1 95770291 CVFDJFRFNYOHKY-HQJQHLMTSA-N 195.262 1.335 10 10 ADCE CCc1cc(C)c(O)c([C@@H](N)CO)c1 95770617 NGCJWBQNYGXGQX-JTQLQIEISA-N 195.262 1.255 10 10 ADCE Cc1cc(N)c(O)c([C@@H](C)N)c1 104528874 UPDLDAYOSLAUIZ-ZCFIWIBFSA-N 166.224 1.303 10 10 ADCE NCc1cc2cc(O)c(O)cc2[nH]1 107336837 SPYRTPWHKZSMTN-UHFFFAOYSA-N 178.191 1.038 10 10 ADCE CCOC(=O)[C@@H]1C[C@H]1CN=[N+]=[N-] 142013755 XDRUUFIQBCRVFH-NTSWFWBYSA-N 169.184 1.496 10 10 ADCE Oc1cccc2c1CNCCC2 146949912 RQURVLTWZCDFMX-UHFFFAOYSA-N 163.220 1.428 10 10 ADCE CC1(C)C=CC(C)(C)C(=O)C1=O 196317059 PKVMDSBARHACHI-UHFFFAOYSA-N 166.220 1.747 10 10 ADCE CN(O)Cc1ccc2ocnc2c1O 214760397 LASFHBGFWBXMTF-UHFFFAOYSA-N 194.190 1.354 10 10 ADCE NC1(c2cccc(F)c2O)CC1 221207396 VEKJDEWGIYIODZ-UHFFFAOYSA-N 167.183 1.479 10 10 ADCE CCOC(=O)NCCCCN=[N+]=[N-] 231733183 ADHNHKUIOTULFD-UHFFFAOYSA-N 186.215 1.823 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCC[C@H]1O 238717423 WPGVNILMHPRPCL-NKWVEPMBSA-N 155.201 1.848 10 10 ADCE Oc1cc([C@H]2CCCN2)cc(F)c1O 258021704 IHPITRHSPJYSOM-MRVPVSSYSA-N 197.209 1.661 10 10 ADCE CC(=O)O[C@H]1C[C@@H]2C=C[C@H]1[C@H]2N=[N+]=[N-] 307525118 BSOSJIYUAKFSCG-KZVJFYERSA-N 193.206 1.803 10 10 ADCE C/C=C\C(=O)NCc1ccc(N)cc1 308371690 BDEIQXFCSSCFAL-IHWYPQMZSA-N 190.246 1.461 10 10 ADCE [N-]=[N+]=NC[C@@H]1NCCc2ccoc21 575467623 ZKVKHSJJHQVVIZ-ZETCQYMHSA-N 178.195 1.777 10 10 ADCE C=CC(=O)N1Cc2cccc(O)c2C1 704200407 HPLIHWTXYXWPBX-UHFFFAOYSA-N 189.214 1.420 10 10 ADCE C[C@H]1C[C@@H](C)N[C@H](CN=[N+]=[N-])O1 885319397 VNYXQJOKJMMRFE-VQVTYTSYSA-N 170.216 1.410 10 10 ADCE CCC[C@@H](CN)Nc1ccc(N)cc1 1888905751 SWLNCGFRCNWSCD-NSHDSACASA-N 193.294 1.808 10 10 ADCE CS(C)(=O)=NCCCN=[N+]=[N-] 1912144379 SEKGKEMPACHQIL-UHFFFAOYSA-N 176.245 1.414 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCOC1(C)C 1912155147 GCSYBZRNDACDND-MRVPVSSYSA-N 198.270 1.796 10 10 ADCE C[C@H](NN)c1c(O)cccc1F 2070173888 RXVKVJFSCPAADA-YFKPBYRVSA-N 170.187 1.056 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H]1CCC[C@@H]1O 2209410096 GLXZZNGJQBNUMH-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE Nc1[nH]ncc1Sc1nccs1 40999531 LVRXCDDZDNSKDY-UHFFFAOYSA-N 198.276 1.600 10 10 ADCE Cc1noc2c(CN)c(O)ccc12 82870226 PGAIYNPAZBARLB-UHFFFAOYSA-N 178.191 1.301 10 10 ADCE Oc1c(F)cccc1[C@@H]1CCN1 95784666 LFHUECGYPSMEQI-QMMMGPOBSA-N 167.183 1.566 10 10 ADCE CCOC(=O)[C@@H](F)N=[N+]=[N-] 196131784 RRJJKLFSBFQCHZ-VKHMYHEASA-N 147.109 1.155 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[S@@]1=O 196439803 QRZVTRDZBKPOSG-IGJIYHIXSA-N 145.187 1.165 10 10 ADCE CNCc1c(C)cc(C)c(OC)c1O 212152603 XXAQAYWKNVIZSX-UHFFFAOYSA-N 195.262 1.737 10 10 ADCE N[C@]1(c2ccccc2O)C[C@H]1C1CC1 213408053 YWBKTZHVBAIJQR-JQWIXIFHSA-N 189.258 1.976 10 10 ADCE CCC[C@@H]1C(=O)C(=O)C[C@H]1C 225645989 AHRBFSYXZDKLKN-RQJHMYQMSA-N 154.209 1.581 10 10 ADCE CCC[C@@H](N)c1cc(O)nc(O)c1 238233362 HZHMFFOJFXZNCP-SSDOTTSWSA-N 182.223 1.293 10 10 ADCE CCOc1ccc(O)c(C2(N)CC2)c1 238279387 ALSUIYFUWPELHD-UHFFFAOYSA-N 193.246 1.739 10 10 ADCE CCc1cccc([C@@H](CO)NC)c1O 238303390 WGTAIPLVVGMBDE-SNVBAGLBSA-N 195.262 1.207 10 10 ADCE COC(=O)[C@H](CCCN=[N+]=[N-])N=[N+]=[N-] 238799250 PCNHVIBTKXPRIG-YFKPBYRVSA-N 198.186 1.929 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)[C@H]2CC[C@H]1C2 307285070 NWGYSIYHBPMJSM-HCWXCVPCSA-N 151.169 1.664 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@H](O)CC1 307363495 HPWFTHHHDRSDLW-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CSC[C@H]2C1 711534210 QVUDJKKDFUGWBE-HTQZYQBOSA-N 198.295 1.592 10 10 ADCE CC[C@@]1(C)CN[C@H](CN=[N+]=[N-])O1 885319390 VGHYYINUGWCWEJ-BQBZGAKWSA-N 170.216 1.411 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cscn1 1535766987 CJNMQFUQYCFCHA-SCSAIBSYSA-N 170.197 1.487 10 10 ADCE CCN(CCN=[N+]=[N-])CC1CC(O)C1 1887717153 HGMBEEMSNMZUDM-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE C[C@H](Oc1ccc(N)cc1)C1(N)CC1 1896321133 KDWFBTUOPSEGKU-QMMMGPOBSA-N 192.262 1.527 10 10 ADCE [N-]=[N+]=NCCCN1CC(CCO)C1 1912153922 FPAQFTZLHBLUQV-UHFFFAOYSA-N 184.243 1.001 10 10 ADCE CC(C)OCCN1CC[C@@H](N=[N+]=[N-])C1 1912163763 NKMAFOGVEJBOQW-SECBINFHSA-N 198.270 1.796 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@H]1CCOC1 1912166208 UGOSJZZWXRGARW-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC(=O)C(=O)Cc1ccc(O)cc1 1951709902 VGZBIVYCVVRFBT-UHFFFAOYSA-N 178.187 1.093 10 10 ADCE CC(=O)C(=O)c1ccc(C)nc1 1951872763 HBJZJKHQXZSWBL-UHFFFAOYSA-N 163.176 1.162 10 10 ADCE CC(C)[C@@H]1CN[C@@H](CN=[N+]=[N-])S1 1953461325 YKVLUQVVUHINCH-NKWVEPMBSA-N 186.284 1.984 10 10 ADCE [N-]=[N+]=NCCCN1CCN[C@H]2CC[C@@H]21 1957243218 DHLRVFWYZBKVAX-IUCAKERBSA-N 195.270 1.123 10 10 ADCE CC[C@@H](N)CN(C)CCCCN=[N+]=[N-] 1957244492 PXTAPODJHYNEED-SECBINFHSA-N 199.302 1.746 10 10 ADCE Nc1c(C(F)(F)F)sc(O)c1O 2080408602 MTPFGWLWIUGNTF-UHFFFAOYSA-N 199.153 1.760 10 10 ADCE Cc1nnccc1CN=[N+]=[N-] 2242234644 RWKBGWLOCAZCMK-UHFFFAOYSA-N 149.157 1.595 10 10 ADCE CC(=O)C(=O)c1ccccc1N 13550721 YYALDNAKIAIDCL-UHFFFAOYSA-N 163.176 1.041 10 10 ADCE [N-]=[N+]=NCc1cc(O)ccc1O 35032631 URTXSFWGWRZNKD-UHFFFAOYSA-N 165.152 1.908 10 10 ADCE C/C=C/CN=[N+]=[N-] 42390400 GXFIHCVXTMPULH-NSCUHMNNSA-N 97.121 1.873 10 10 ADCE Cc1ccc(F)c(O)c1[C@H]1CCN1 95784510 JDDIKWUMOORMNI-MRVPVSSYSA-N 181.210 1.874 10 10 ADCE CCC[C@@H](N)c1cc(F)cc(N)c1O 104510900 DXMPIYVDQWPJDB-MRVPVSSYSA-N 198.241 1.913 10 10 ADCE O=C1C[C@H](c2ccccc2)C1=O 104529838 RLIGHGKOHGETFZ-MRVPVSSYSA-N 160.172 1.312 10 10 ADCE CNCc1cc(Cl)c(F)cc1O 108372111 JVDVQNYUZUFFDY-UHFFFAOYSA-N 189.617 1.904 10 10 ADCE CC1(C)CC(=O)C(=O)[C@H]2C[C@@H]21 238198885 MXWOTXKUMPAXSZ-WDSKDSINSA-N 152.193 1.191 10 10 ADCE Cc1c(O)ccc([C@@H](N)C2CC2)c1O 238509782 YUWQEIKPMJDHGZ-JTQLQIEISA-N 193.246 1.816 10 10 ADCE Oc1ccc(CC2(O)CC2)c(F)c1O 257951672 AVYJOESBVNRGPD-UHFFFAOYSA-N 198.193 1.304 10 10 ADCE CC(C)[C@H](O)/C=C/N=[N+]=[N-] 306950790 CVQLTMXRQUIFDV-FCJGRKLLSA-N 141.174 1.827 10 10 ADCE C[C@@H]1C[C@@H](O)CN1CCCN=[N+]=[N-] 384853673 CERNDCKWYDJGJT-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE C[C@@H]1C[C@H](N(C)CCCN=[N+]=[N-])CO1 401450910 FYQBKVYMOXPCKM-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE C[C@@H](/C=C\[C@H](C)C(=O)O)N=[N+]=[N-] 687750966 ZDNGVBAXDRXKGB-CREQNIJZSA-N 169.184 1.962 10 10 ADCE CC[C@H](O)CN1CCC[C@@H]1CN=[N+]=[N-] 1885288815 YCZVFANWRDWSJR-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCC[C@@H]1C(C)C 1932511305 GLNXJQHJXJXGTP-MWLCHTKSSA-N 198.262 1.332 10 10 ADCE CCOc1ccc(OC)c(O)c1O 2054913145 UMIUZZHHVFEZGI-UHFFFAOYSA-N 184.191 1.505 10 10 ADCE CO[C@H](C)C[S@](=O)CCN=[N+]=[N-] 2241559751 PHEPNRLJIBKPSH-SREIQFSDSA-N 191.256 1.080 10 10 ADCE C[C@H]1C[C@H]1NCc1ccccc1O 52270162 ZVJGETUPDZHEDF-WCBMZHEXSA-N 177.247 1.890 10 10 ADCE C[C@@H](N)COc1ccc(N(C)C)cc1 84928792 YVZSXPRZLWFOON-SECBINFHSA-N 194.278 1.479 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cnn(C)c1 165916570 RYDDZOLKGQFWPX-RXMQYKEDSA-N 151.173 1.791 10 10 ADCE CCc1ccc(O)c2c1OCC[C@@H]2N 238283998 SAQCGINNGWFWEI-QMMMGPOBSA-N 193.246 1.737 10 10 ADCE CCc1ccc(O)c2c1OCC[C@H]2N 238284099 SAQCGINNGWFWEI-MRVPVSSYSA-N 193.246 1.737 10 10 ADCE CCc1ccc2c(c1O)[C@@H](N)CO2 238290158 ZXUYOMHDOQKTCR-ZETCQYMHSA-N 179.219 1.347 10 10 ADCE C[C@@H](CO)c1ccc(O)c(O)c1F 257986973 FEKTZXNVUSVAJN-YFKPBYRVSA-N 186.182 1.333 10 10 ADCE C[C@@H](CO)CN(C)CCCN=[N+]=[N-] 688387079 JODIFFIPLDEPQE-MRVPVSSYSA-N 186.259 1.247 10 10 ADCE CC[C@@H]1CCO[C@@H](CN=[N+]=[N-])N1 885319353 UMLNHMWEDIUVJW-RQJHMYQMSA-N 170.216 1.411 10 10 ADCE CN1CCc2cc([C@H](O)CF)ccc21 1535881112 YUJBDARUOZJLLE-LLVKDONJSA-N 195.237 1.682 10 10 ADCE CC1(C)C[C@H]1[C@@H](O)CN=[N+]=[N-] 1880513991 YYXHRTOZPTYJOE-WDSKDSINSA-N 155.201 1.704 10 10 ADCE C[C@H](N)[C@@H](C)Oc1ccc(N)cc1 1883787079 VDXMMEVXMADPAN-JGVFFNPUSA-N 180.251 1.383 10 10 ADCE C[C@@H]1C[C@H]1C(=O)N(C)CCCN=[N+]=[N-] 1897868356 PLFJXYPQMBIFAJ-HTQZYQBOSA-N 196.254 1.801 10 10 ADCE CCSC1CN(CCN=[N+]=[N-])C1 1912170062 RXHDGEVFLNHDDZ-UHFFFAOYSA-N 186.284 1.734 10 10 ADCE CCC(=N)NCc1ccccc1O 1924457443 JKGWKZZIKBNIRL-UHFFFAOYSA-N 178.235 1.869 10 10 ADCE CC(=Cc1nccn1C)CCN 1928445478 ZMBMQLVCDMFYSB-UHFFFAOYSA-N 165.240 1.172 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC12CCCC2 1929191881 BPSVXIFMZBVQSQ-LLVKDONJSA-N 196.246 1.230 10 10 ADCE Cc1cccc([C@H]2NCCC2=O)c1O 1951863713 ROOTXICPDOPWLY-SNVBAGLBSA-N 191.230 1.304 10 10 ADCE Cc1cccc(O)c1CNO 1953257605 WSKQINRZWMTYEM-UHFFFAOYSA-N 153.181 1.179 10 10 ADCE [N-]=[N+]=N[C@H]1CCC2(CC2)[C@@H]1O 1953329036 RYEIPWASSZKSCF-NTSWFWBYSA-N 153.185 1.600 10 10 ADCE CC(C)(CN)[C@@H](N)c1ccccc1O 1956162949 NSLOZEVGHBGHRM-JTQLQIEISA-N 194.278 1.377 10 10 ADCE C[C@@H](CC(=O)N1CCOC1=O)N=[N+]=[N-] 38251767 PEEWFAUEJJWTRQ-YFKPBYRVSA-N 198.182 1.054 10 10 ADCE C[C@@H]1O[C@H]1CN=[N+]=[N-] 38433614 FPEMDAKNKAUEKQ-IMJSIDKUSA-N 113.120 1.084 10 10 ADCE CCC(=O)c1ccsc1N 38886937 OHNCULUAABZHAW-UHFFFAOYSA-N 155.222 1.923 10 10 ADCE CN1CCC[C@@H]1Cc1ccc(N)cc1 39416766 VDSNKERDALCECS-GFCCVEGCSA-N 190.290 1.906 10 10 ADCE CCc1cc(C(C)=O)c(O)c(O)c1O 75598785 IIFIQTGJDYLZPX-UHFFFAOYSA-N 196.202 1.568 10 10 ADCE CON[C@H](C)c1cc(C)ccc1O 134231505 KBAHUGTZQZEHPW-MRVPVSSYSA-N 181.235 1.913 10 10 ADCE COC(=O)C1CC(N=[N+]=[N-])C1 142026471 FIMPAPUCJHJKIN-UHFFFAOYSA-N 155.157 1.248 10 10 ADCE NCCCCCNc1ccc(N)cc1 202378595 RCMJEXFZBZNFFW-UHFFFAOYSA-N 193.294 1.810 10 10 ADCE CCOC[C@H](N=[N+]=[N-])OC 231488394 PHMWJDNVPGHYAD-RXMQYKEDSA-N 145.162 1.306 10 10 ADCE CC(=O)O[C@@H]1CSC[C@H]1N=[N+]=[N-] 238068117 LJVSBWAFAMPUNI-PHDIDXHHSA-N 187.224 1.344 10 10 ADCE CO[C@@H]1C[C@@H](N=[N+]=[N-])C(=O)[C@@H](C)O1 238332648 XOXUZMTZDQIEJV-PBXRRBTRSA-N 185.183 1.016 10 10 ADCE C=Cc1ccc(O)c([C@H](N)COC)c1 238376397 BLHLAYLOZRVWLV-SNVBAGLBSA-N 193.246 1.681 10 10 ADCE NC1(c2cccc(O)c2O)CCC1 258039705 QATDQABBUFOOKU-UHFFFAOYSA-N 179.219 1.436 10 10 ADCE CN(C)N[C@@H]1CCc2cccc(O)c21 306296011 CKENSOLFQKAACA-SECBINFHSA-N 192.262 1.446 10 10 ADCE COC(=O)[C@H]1[C@@H](N=[N+]=[N-])[C@@H]2C=C[C@H]1C2 306811454 WYCNTQPKPUJXMJ-OSMVPFSASA-N 193.206 1.660 10 10 ADCE CO[C@@H]1C[C@@H](N=[N+]=[N-])C[C@](C)(CO)C1 307180640 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C[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1C 86011435 NJIOZRUBBWXURK-YUMQZZPRSA-N 168.244 1.885 10 10 ADCE CN[C@H](CO)c1ccc(C)c(C)c1O 104519346 PEGRXUSRLXMGDX-SNVBAGLBSA-N 195.262 1.262 10 10 ADCE Cc1cc(O)c(CNCCO)cc1C 164414619 GHLFTMIVDCMEAJ-UHFFFAOYSA-N 195.262 1.091 10 10 ADCE CO[C@H]1CCCO[C@@H]1CN=[N+]=[N-] 198420949 ISSSHCAAJZGPLJ-NKWVEPMBSA-N 171.200 1.491 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@H]1NC(=O)O[C@@H]1C 238252734 GOGWKJRJYGJOOR-VQVTYTSYSA-N 198.226 1.962 10 10 ADCE COC1=NCC[C@@H]1N=[N+]=[N-] 238378924 QFJFGEFMLHPYBE-BYPYZUCNSA-N 140.146 1.114 10 10 ADCE C[C@H](CCO)Cc1ccc(N)cc1 238434469 FZZKDUUMUWSPGK-SECBINFHSA-N 179.263 1.830 10 10 ADCE Nc1cc(CO)c2scc(O)c2c1 306739509 SEHSUDCMTOBCTP-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE Nc1ccc(O[C@@H]2CC[C@@H]2O)cc1 575593288 AAGXJWZZEQUFPS-VHSXEESVSA-N 179.219 1.171 10 10 ADCE CC[C@H](C)N1CC[C@H](N)[C@@H]1CN=[N+]=[N-] 712132860 MRNJCCOUJKKOFU-CIUDSAMLSA-N 197.286 1.497 10 10 ADCE [N-]=[N+]=NC[C@@H]1COCC2(CCC2)O1 958530601 LFCIIDJOURTRHF-SSDOTTSWSA-N 183.211 1.635 10 10 ADCE [N-]=[N+]=NCCC[C@@H]1C[C@H]1C(=O)O 1887612568 KHHMMROWVGNWKH-PHDIDXHHSA-N 169.184 1.798 10 10 ADCE CN=c1cc(C)[nH]cc1CN=[N+]=[N-] 1887712831 RLFAOUNVAIBMPG-UHFFFAOYSA-N 177.211 1.664 10 10 ADCE Oc1cccc([C@H]2[C@@H]3CNC[C@@H]32)c1O 1952450152 XJSFPYQOWPOLBN-MBTKJCJQSA-N 191.230 1.031 10 10 ADCE COc1ccc(N(C)CC(C)=O)cc1 39299446 DCUJDGBQCQDCRN-UHFFFAOYSA-N 193.246 1.720 10 10 ADCE CCC(=O)Nc1ccc(CN)c(O)c1 82637177 UBPMLCCEPLGLBD-UHFFFAOYSA-N 194.234 1.199 10 10 ADCE C[C@H]1CCCN(C(=O)CN=[N+]=[N-])C1 104702591 MFNBRBINMZKPKM-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE CC(C)(N)CN=[N+]=[N-] 142279520 PMIYEQKCVPDHLT-UHFFFAOYSA-N 114.152 1.034 10 10 ADCE C[C@H]1CCCN1C[C@H](O)CN=[N+]=[N-] 203326338 LQRQYVBTGYXZKE-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE CCO[C@H](C[C@@H](C)O)N=[N+]=[N-] 238290234 AQKPBRNQFALDNL-PHDIDXHHSA-N 159.189 1.430 10 10 ADCE C[C@@H]1CCN[C@H](c2ccccc2O)N1 238434340 QYUKOTSAMODLOL-KCJUWKMLSA-N 192.262 1.362 10 10 ADCE N[C@@H]1CCc2ccc(C(=O)O)c(O)c21 238640073 LBIVLKKNEKBQSQ-SSDOTTSWSA-N 193.202 1.036 10 10 ADCE C[C@H]1C[C@@H](C)C(=O)N1CCN=[N+]=[N-] 307172974 NSKQFHXYELSUTM-RQJHMYQMSA-N 182.227 1.554 10 10 ADCE CCCc1nnc(CN=[N+]=[N-])o1 700419944 PDIVIRZSFGAHIO-UHFFFAOYSA-N 167.172 1.832 10 10 ADCE C[C@@H]1CC[C@@H]([C@H](CO)N=[N+]=[N-])O1 1535755024 WJHRNCBRQBWPLS-VQVTYTSYSA-N 171.200 1.225 10 10 ADCE O=C(O)C=Cc1ccc(O)c(O)c1 1857742935 QAIPRVGONGVQAS-UHFFFAOYSA-N 180.159 1.196 10 10 ADCE COCC[C@H](C)N1CC(N=[N+]=[N-])C1 1912166540 YPWMGXRIFTUCMF-ZETCQYMHSA-N 184.243 1.406 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@@H](O)C1 1912177270 DDSPUFGLUWDWPG-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE C[C@@H](CO)N1CCC[C@@H](N=[N+]=[N-])C1 1912200759 KZDGSTBXKHQMRJ-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE C[C@@H]1C[C@@]1(CN)c1cccc(O)c1O 1951960978 DVOIJWJVIPSWMP-HQJQHLMTSA-N 193.246 1.334 10 10 ADCE N[C@@H](c1cccc(F)c1O)C1(O)CC1 1952409397 AANUXENABFIAMX-VIFPVBQESA-N 197.209 1.056 10 10 ADCE [N-]=[N+]=NCCCNC(=O)c1ccon1 44587997 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C[C@@H]1C[C@@]1(N)c1ccccc1O 84330061 MJIAHNWMXPAKOM-XCBNKYQSSA-N 163.220 1.586 10 10 ADCE COC[C@@H](N)c1cccc(F)c1O 104505066 ZFIVMPZIRFAJEV-MRVPVSSYSA-N 185.198 1.178 10 10 ADCE C[C@@H]1CCCN(C(=O)CN=[N+]=[N-])C1 104702587 MFNBRBINMZKPKM-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE CN(C)Cc1ccc(F)cc1O 141416783 LPUJBHSFFOFERM-UHFFFAOYSA-N 169.199 1.593 10 10 ADCE [N-]=[N+]=NC1=CC[C@@H](O)C1 145842450 OFKVYEXCXZFDFO-RXMQYKEDSA-N 125.131 1.335 10 10 ADCE CNC(C)(C)CNc1ccc(N)cc1 166825716 HHTVQUZNWZMMBD-UHFFFAOYSA-N 193.294 1.679 10 10 ADCE CC(=O)COc1ccc(N(C)C)cc1 197745254 SPFPOCQJEBZVCY-UHFFFAOYSA-N 193.246 1.720 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H](CC(=O)O)C1 212531442 ZADSMOYZDIVKAE-WDSKDSINSA-N 167.168 1.716 10 10 ADCE CC[C@@]1(C)C[C@H](N=[N+]=[N-])C(=O)O1 238270485 OBVPPNIEJOZKLO-FSPLSTOPSA-N 169.184 1.781 10 10 ADCE O=C1N[C@@H]2c3occc3C[C@@H]2/C1=C/O 238610128 HNUHXEBIXDBIRX-MOIBXHDPSA-N 191.186 1.065 10 10 ADCE O=C1NCCN1N=Nc1ccccc1 389004672 UVSCYGKNIJXYKA-UHFFFAOYSA-N 190.206 1.711 10 10 ADCE [N-]=[N+]=NCCN1CCO[C@@H](C2CC2)C1 694828289 FLHSJMGCVFZOOT-SECBINFHSA-N 196.254 1.408 10 10 ADCE C[C@H](NC#N)c1ccccc1O 1881223134 ZIOYHGMCLMXVKF-ZETCQYMHSA-N 162.192 1.524 10 10 ADCE CC[C@H](CO)Cc1ccc(N)cc1 1882081220 NDMIUMHXNZABCV-VIFPVBQESA-N 179.263 1.830 10 10 ADCE C[C@@H](O)[C@H]1CCN1CCCCN=[N+]=[N-] 1885791128 RBLBCKSHSPTNOI-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE Nc1ccc(OCCC2CNC2)cc1 1896303445 YINUFYZBXPBDKB-UHFFFAOYSA-N 192.262 1.257 10 10 ADCE Nc1ccc(OC[C@H]2C[C@H](N)C2)cc1 1896322278 XWOSFCZGKYBPQP-CZMCAQCFSA-N 192.262 1.385 10 10 ADCE C[C@H]1C[C@H](O)CN1CCCCN=[N+]=[N-] 1912176050 UHZDPJQWYFOXNO-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CNC1(c2c(O)cccc2O)CC1 1952387250 MIEHZWOETKHPRI-UHFFFAOYSA-N 179.219 1.306 10 10 ADCE CC1(C)C[C@@H](N)CN(CCN=[N+]=[N-])C1 1957244555 RBAXWOLOSIUBJN-MRVPVSSYSA-N 197.286 1.356 10 10 ADCE CC(=O)C[C@]1(O)CCC[C@H]1N=[N+]=[N-] 36477248 KOMQTCKWJSICLB-HTQZYQBOSA-N 183.211 1.559 10 10 ADCE CC[C@@H]1CN(CCN=[N+]=[N-])CCN1C 82484374 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108369129 NSISGLGBGLMOGV-MRVPVSSYSA-N 177.251 1.241 10 10 ADCE CN[C@@H](CO)c1c(C)cc(C)cc1O 211763401 JKKLBYJGWREFFQ-VIFPVBQESA-N 195.262 1.262 10 10 ADCE CC(=O)N[C@@H]1CCCC[C@@H]1N=[N+]=[N-] 238116570 DFEBGXXHFIMIEO-SFYZADRCSA-N 182.227 1.744 10 10 ADCE CC(=O)OC[C@@H]1C[C@@H](N=[N+]=[N-])C=CO1 238158685 ZAJVLXSWGUXJIM-YUMQZZPRSA-N 197.194 1.531 10 10 ADCE CC(C)NCc1ccc(N)cc1O 238187142 FZRDPSSKEOHZQJ-UHFFFAOYSA-N 180.251 1.472 10 10 ADCE C[C@@]1(O)CCCC[C@H]1N=[N+]=[N-] 238500611 MSMMICIVQPJJTC-RNFRBKRXSA-N 155.201 1.990 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CC[C@@H](O)C1 238659692 DXOADGNGPZYTIT-NKWVEPMBSA-N 155.201 1.848 10 10 ADCE Cc1ccc(O)c([C@@H](N)[C@H](C)N)c1 306750962 KYBZQGABYSAEFU-XVKPBYJWSA-N 180.251 1.048 10 10 ADCE Cc1cc(F)cc([C@@H](N)[C@@H](C)N)c1O 307159820 CYNVHCSIOGQEBA-MUWHJKNJSA-N 198.241 1.187 10 10 ADCE CC1(C)[C@@H](N)[C@@H]1c1ccc(O)c(O)c1 1535866878 APBWBWSMPFSTNP-UWVGGRQHSA-N 193.246 1.549 10 10 ADCE C[C@H]1N[C@@H](CN=[N+]=[N-])OCC1(C)C 1912194812 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CC(C)[C@@H](N)c1cc(F)cc(N)c1O 95717144 BGZCYZIWZUKWNG-SECBINFHSA-N 198.241 1.769 10 10 ADCE COC(=O)/C(=C\O)CC(F)(F)F 168143921 RAQFGWWLMDYYRA-ARJAWSKDSA-N 184.113 1.554 10 10 ADCE CCO[C@@H]1CCCCC(=O)C1=O 238263240 JAZZIONFCVZBMO-MRVPVSSYSA-N 170.208 1.104 10 10 ADCE CCO[C@H]1CCCCC(=O)C1=O 238293643 JAZZIONFCVZBMO-QMMMGPOBSA-N 170.208 1.104 10 10 ADCE Cc1c(N)cc([C@H](C)N)c(O)c1C 238422349 JYPLDGSEDDSKCL-ZETCQYMHSA-N 180.251 1.611 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC(=O)[C@H]2O[C@@H]21 238589200 BGOOBBKPYPUXDI-QPPQHZFASA-N 167.168 1.186 10 10 ADCE COc1ccc2c(c1O)CN[C@H]2C 257815791 CYTQDZDUBZYEIZ-LURJTMIESA-N 179.219 1.565 10 10 ADCE CO[C@@H](CN=[N+]=[N-])C(C)C 306727834 BCPQOWVRVKJVHR-LURJTMIESA-N 143.190 1.968 10 10 ADCE C[C@@H]1OCCN(CCN=[N+]=[N-])[C@@H]1C 306906246 YMRGEGYDNXNCPO-SFYZADRCSA-N 184.243 1.406 10 10 ADCE CCOC(=O)/C(C(C)=S)=C(/C)N 383548613 MAXOVPRNRPMZMX-ALCCZGGFSA-N 187.264 1.172 10 10 ADCE Cn1ccnc1/C=C1/CC[C@@H](N)C1 575560736 MUBJHCIXQMNEOJ-UFGYOYAJSA-N 177.251 1.315 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1CC(F)(F)C1 1881562919 OULDRVHJJUNGBS-YFKPBYRVSA-N 177.154 1.703 10 10 ADCE CO[C@@H]1C[C@H](C)CN(CCN=[N+]=[N-])C1 1905550930 RTZXVZLWNBAULN-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE O=C1Nc2ccccc2C1=CO 1911601159 ZRKPUQFDPAIVPD-UHFFFAOYSA-N 161.160 1.538 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C[C@H]2CCCO2)C1 1912158503 XWRITOKRGSYVDU-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1cccc(C)c1 1929121143 CRDQGLLWJQOZPR-NSHDSACASA-N 192.214 1.187 10 10 ADCE O=C1CCN[C@@H]1c1c(O)cccc1F 1951846741 ZPDBFDBQDXYHJU-JTQLQIEISA-N 195.193 1.135 10 10 ADCE C[C@@]1(c2c(O)cccc2F)CCN1 1952238460 ZRSSRTNODYIVPH-JTQLQIEISA-N 181.210 1.740 10 10 ADCE O=[N+]([O-])c1cccc(O)c1[C@@H]1CCN1 1952750811 FGTZTEJCLZBUPZ-LURJTMIESA-N 194.190 1.335 10 10 ADCE [N-]=[N+]=NCCC(=O)N1CCCC1 1953732054 JGYGAHKSJLYQLE-UHFFFAOYSA-N 168.200 1.309 10 10 ADCE NCc1ccc(-n2cccc2)cc1O 82636090 PHNRNAXPHDESEH-UHFFFAOYSA-N 188.230 1.642 10 10 ADCE CCC[C@@H](N)c1ccc(O)c(O)c1O 82726981 BWBDFEPRUBWECV-SSDOTTSWSA-N 197.234 1.603 10 10 ADCE [N-]=[N+]=NCC[C@H]1COCCO1 198859665 ZPHLSDBNKDLZRE-LURJTMIESA-N 157.173 1.102 10 10 ADCE CC(=O)O[C@@]1(C)COC=C[C@@H]1N=[N+]=[N-] 238079837 GABOSBHDMWNKHO-YUMQZZPRSA-N 197.194 1.531 10 10 ADCE CC[C@@H](N)c1cscc1O 238286889 DNGDSQPIAIVCSI-ZCFIWIBFSA-N 157.238 1.864 10 10 ADCE OCC[C@H]1CNc2ccccc2N1 238678015 UPOQJIHDEQPIIL-QMMMGPOBSA-N 178.235 1.275 10 10 ADCE C[C@@H]1CO[C@@H](c2ccccc2O)N1 258623370 RIOYJZYLNOFTLW-XCBNKYQSSA-N 179.219 1.399 10 10 ADCE C[C@@H]1O[C@@](C)(N=[N+]=[N-])O[C@@H]1C 306205689 SLHAONOUTVNUKB-FMCRUOTFSA-N 157.173 1.794 10 10 ADCE C/C(=C/c1ccc(O)c(O)c1)[C@@H](C)N 308444118 MLHHHKCVGJKEBL-GRKOMRHMSA-N 193.246 1.848 10 10 ADCE CN(C=O)c1ccc(N=NC#N)cc1 396146731 WNYLQDNGVCKXLC-UHFFFAOYSA-N 188.190 1.844 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1CC12CC2 707864647 XAYCNBZXYKHVPO-ZCFIWIBFSA-N 180.211 1.213 10 10 ADCE Cc1nc([C@@H](CO)N=[N+]=[N-])oc1C 1535712831 YHIPXCYWXCGUKX-ZCFIWIBFSA-N 182.183 1.635 10 10 ADCE [N-]=[N+]=NC1CC([C@@H]2C[C@@H]2C(=O)O)C1 1857786755 XLPGOMPWLUPYCE-FTDRKVFOSA-N 181.195 1.796 10 10 ADCE Cn1ccnc1C=C1C[C@@H]2NCC[C@H]12 1933970210 WVRGVXHCNASABQ-ZJUUUORDSA-N 189.262 1.185 10 10 ADCE C[C@@H](O)C[C@@H](C)N1CC(N=[N+]=[N-])C1 1934013788 QMUBAZIMDDWHSI-RNFRBKRXSA-N 184.243 1.140 10 10 ADCE NC[C@@H]1C[C@@H]1Cc1ccc(O)c(O)c1 1952074372 MGRKRJMZYSNHKB-IUCAKERBSA-N 193.246 1.235 10 10 ADCE [N-]=[N+]=N[C@H](CN)c1ccncc1 1953712806 JJKSONOTFDQEII-SSDOTTSWSA-N 163.184 1.392 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC2(CC2)[C@H]1O 1953735329 LKRNBVJZTWJASL-RQJHMYQMSA-N 167.212 1.990 10 10 ADCE CC(C)N[C@H](O)c1ccc(O)c(O)c1 28347533 JLTCHVMMHAHMPI-SNVBAGLBSA-N 197.234 1.087 10 10 ADCE CCc1cc(O)c(O)c(O)c1 39218664 DSWXMZCXENJPNA-UHFFFAOYSA-N 154.165 1.366 10 10 ADCE CN1CCCc2cc(CNN)ccc21 50287714 ZRCDPZRAOOLZNU-UHFFFAOYSA-N 191.278 1.032 10 10 ADCE CC[C@H](N)c1ccc(O)c(O)c1 59957687 YKEUZYBXTNURKV-ZETCQYMHSA-N 167.208 1.508 10 10 ADCE CC(=O)C(=O)c1ccc2[nH]cnc2c1 77273975 HTLAZTQSMCRGBO-UHFFFAOYSA-N 188.186 1.335 10 10 ADCE C[C@H]1C[C@@]1(N)c1ccccc1O 84330064 MJIAHNWMXPAKOM-XVKPBYJWSA-N 163.220 1.586 10 10 ADCE N[C@H](CCCO)c1ccc(F)cc1O 95671774 PFJPPOCWZKWWPI-SECBINFHSA-N 199.225 1.304 10 10 ADCE CO[C@H]1CCCO[C@H]1CN=[N+]=[N-] 210801852 ISSSHCAAJZGPLJ-BQBZGAKWSA-N 171.200 1.491 10 10 ADCE CN1CCc2c(O)ccc(O)c2C1 212808715 VJUXRRVFQXPNGO-UHFFFAOYSA-N 179.219 1.086 10 10 ADCE CC(=O)CC[C@H](C)C(=O)C(C)=O 238415481 NDBDNGKMQJFHII-LURJTMIESA-N 170.208 1.150 10 10 ADCE CC(C)(N)c1cc2c(cc1O)OCO2 258027783 IUPSBGMOBKJURP-UHFFFAOYSA-N 195.218 1.315 10 10 ADCE OCCCc1c(F)ccc(O)c1O 258101006 OUTLQQSXXSEVHS-UHFFFAOYSA-N 186.182 1.162 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCC[C@@H]1F 1880028778 WSOGWDHZAXLDNJ-WHFBIAKZSA-N 145.137 1.424 10 10 ADCE C[C@@H]1C[C@@H]1[C@@H](O)CN=[N+]=[N-] 1880125004 FBPAQLOTYPTDAW-SRQIZXRXSA-N 141.174 1.314 10 10 ADCE Nc1ccc(C[C@H]2C[C@H]2C(=O)O)cc1 1951440812 FJXSWIUMQNQWQF-WCBMZHEXSA-N 191.230 1.532 10 10 ADCE C[C@@]1(c2cccc(F)c2O)CC(=O)N1 1951860926 RSQLYADWGIPSHL-JTQLQIEISA-N 195.193 1.266 10 10 ADCE CC(=O)C(=O)c1cc2c([nH]1)CCCC2 1952337888 CKBQATNCCXFBKV-UHFFFAOYSA-N 191.230 1.665 10 10 ADCE CNC1(C)C(=O)c2ccccc2C1=O 33317457 WHWYKEUKNIVUMW-UHFFFAOYSA-N 189.214 1.044 10 10 ADCE [N-]=[N+]=NCCCN1CCC(O)CC1 42415821 LYOWVOLWOCFFQK-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE CC[C@@](C)(N)c1ccccc1O 59162877 ULDKPVDKWPTREX-SNVBAGLBSA-N 165.236 1.976 10 10 ADCE CC(C)[C@@H](C)C(=O)NCCN=[N+]=[N-] 69691121 CDCWWCDNMUKMBJ-SSDOTTSWSA-N 184.243 1.705 10 10 ADCE CC[C@@H]1NCCc2cccc(O)c21 83593843 LYGMIWUMYICSCD-VIFPVBQESA-N 177.247 1.989 10 10 ADCE CSc1ccc(O)c(CN)c1 95720096 QNWNAFDJOVSSLX-UHFFFAOYSA-N 169.249 1.573 10 10 ADCE Cc1c(F)ccc(O)c1[C@H](N)[C@H](C)O 104486191 RJTCZQOISTVGEG-QUBYGPBYSA-N 199.225 1.220 10 10 ADCE C[C@H]1[C@H]2CC[C@@]1(C)C(=O)C2=O 238468991 VBDAMGPUSJIVAP-CCGCGBOQSA-N 152.193 1.191 10 10 ADCE N[C@H](c1ccccc1O)[C@H]1CCNC1 257836603 KWMLHTAMFFJMEM-KWQFWETISA-N 192.262 1.002 10 10 ADCE COc1ccc(O)c2c1CNC2 259705244 KPTBVAWMFAIUBZ-UHFFFAOYSA-N 165.192 1.004 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H](CO)C[C@H]1N=[N+]=[N-] 306308716 OSFPCMWLKIUGDM-FPFOFBBKSA-N 182.187 1.747 10 10 ADCE Cc1ccc([C@H](CO)N=[N+]=[N-])nc1 1535833797 UKAAGSNTKGZOMQ-QMMMGPOBSA-N 178.195 1.734 10 10 ADCE Oc1ccc(CCC2(O)CC2)cc1O 1535867685 IFJSFYATGVVVAL-UHFFFAOYSA-N 194.230 1.555 10 10 ADCE C[C@@]1(CN)CCCN1CCCN=[N+]=[N-] 1885992926 QHJWQKGDXQSILN-VIFPVBQESA-N 197.286 1.500 10 10 ADCE CCN1CC(N=[N+]=[N-])C1 1912178372 MKVWTQFELLWUNT-UHFFFAOYSA-N 126.163 1.001 10 10 ADCE C[C@H](N)[C@H](N=[N+]=[N-])c1ccco1 1953712154 BPCRCFINUHDMDI-FSPLSTOPSA-N 166.184 1.978 10 10 ADCE Cc1cccc(O)c1CNN(C)C 1954505875 KGXDGACLAPUQTJ-UHFFFAOYSA-N 180.251 1.267 10 10 ADCE C[C@H](c1c(O)cccc1O)N1CCC1 2241766675 RXCDZZNMFJGAGX-MRVPVSSYSA-N 193.246 1.865 10 10 ADCE CC1(C)O[C@@H]2OCC[C@H](N=[N+]=[N-])[C@@H]2O1 17131212 NBLSLMSVDILREX-ACZMJKKPSA-N 199.210 1.563 10 10 ADCE COc1ccc2c(c1)[C@H](N)CN2C 19722007 IIGSASBXGDCEEN-SECBINFHSA-N 178.235 1.145 10 10 ADCE CCCc1ccc(O)c(CN)c1 29218445 DMUOQDXQTFSPCQ-UHFFFAOYSA-N 165.236 1.803 10 10 ADCE [N-]=[N+]=N[C@H]1CCn2nccc2C1 38218593 XFAXHDBWTMLYAW-LURJTMIESA-N 163.184 1.508 10 10 ADCE Nc1ccc(Cc2ncccn2)cc1 40542891 LTMKQNARYXUQPY-UHFFFAOYSA-N 185.230 1.650 10 10 ADCE [N-]=[N+]=NCCOc1cccc(CO)c1 43474812 WBKHWRVSTKMAJU-UHFFFAOYSA-N 193.206 1.868 10 10 ADCE CC[C@@H](N)c1cc(F)cc(OC)c1O 95718390 FMMGEZWZSSMNBW-MRVPVSSYSA-N 199.225 1.950 10 10 ADCE CCOC(=O)/C(Cl)=C\O 117819302 OQIYGSPEMWMAFA-ONEGZZNKSA-N 150.561 1.188 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCC[C@@H]1O 130784477 MDHZOEFSYGCRDP-RQJHMYQMSA-N 155.201 1.848 10 10 ADCE C[C@@H]1OCC[C@@H]1N(C)CCN=[N+]=[N-] 134751659 YUIDCJHNXNKRGT-YUMQZZPRSA-N 184.243 1.406 10 10 ADCE C1=S=Cc2cscc21 195994522 YKWIOTIIJKBVQZ-UHFFFAOYSA-N 140.232 1.796 10 10 ADCE CN1CC(Cc2ccc(N)cc2)C1 212675440 HHZPRXDYIZKKBQ-UHFFFAOYSA-N 176.263 1.373 10 10 ADCE [N-]=[N+]=NCCOc1ccc(N)c(O)c1 238611008 LHDVKPTUZCPVPD-UHFFFAOYSA-N 194.194 1.664 10 10 ADCE [N-]=[N+]=NCc1cc(O)no1 238687887 ABSRTUPJGPVCBM-UHFFFAOYSA-N 140.102 1.191 10 10 ADCE NCCCc1ccc(F)c(O)c1O 258045158 KCIXUWHFUSVPKQ-UHFFFAOYSA-N 185.198 1.128 10 10 ADCE [N-]=[N+]=Cc1ccc2cc(O)ccc2n1 307354268 XDMPDKSTFLXNOJ-UHFFFAOYSA-N 185.186 1.589 10 10 ADCE CCOC(=O)/C=C\[C@H](N=[N+]=[N-])[C@H](C)O 308377936 UUJGMQPHJPNTLV-WDBURRJTSA-N 199.210 1.165 10 10 ADCE [N-]=[N+]=NCCc1n[nH]cc1[N+](=O)[O-] 1535793484 CIGDPYHORMMSAD-UHFFFAOYSA-N 182.143 1.171 10 10 ADCE C/C=C/CN1CC[C@@H](N=[N+]=[N-])C1 1880607305 FJEXEUJACDYWDL-UFUPEUMYSA-N 166.228 1.947 10 10 ADCE CC(C)[C@@H](N)CNc1ccc(N)cc1 1888905278 MIYRKQWRLFXGIB-NSHDSACASA-N 193.294 1.664 10 10 ADCE CC1(C)CC[C@H](CO)N1CCN=[N+]=[N-] 1905540121 JYHFILDSBKEJHO-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE CC[C@H](C)NC(=O)N1CC(N=[N+]=[N-])C1 1912170250 UWWHTZIAVHBRFG-LURJTMIESA-N 197.242 1.489 10 10 ADCE CC(C)(O)CN1CCC[C@@H](N=[N+]=[N-])C1 1912191915 YHDOLMPMPGYAKZ-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE CC(C)[S@@](=O)N1CC(N=[N+]=[N-])C1 1912201053 OWCXJLPJIKGZRP-GFCCVEGCSA-N 188.256 1.053 10 10 ADCE Nc1sc(C2CCC2)c(N)c1O 2080411038 LJHTVZDJXKZLMZ-UHFFFAOYSA-N 184.264 1.886 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2C[C@H]2C1=O 2209901658 BIGKMQBFQISKOV-JGVFFNPUSA-N 194.238 1.555 10 10 ADCE COC(=O)NCCCN=[N+]=[N-] 42013174 IGQUWNKHDOQEQC-UHFFFAOYSA-N 158.161 1.043 10 10 ADCE CCN(C)CCCN=[N+]=[N-] 42415876 ZFXPCOMOBWJLRF-UHFFFAOYSA-N 142.206 1.639 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H]1C2 49716596 WIJMSJILHDJRPG-SFYZADRCSA-N 166.228 1.781 10 10 ADCE COCC(CN=[N+]=[N-])CN=[N+]=[N-] 59062999 XEMAUMMVYPAISF-UHFFFAOYSA-N 170.176 1.870 10 10 ADCE CCc1ccc(O)c([C@@](C)(N)CO)c1 104455355 NHZUMPACLHMLAO-NSHDSACASA-N 195.262 1.121 10 10 ADCE CC(C)C(=O)CN=[N+]=[N-] 130730768 IGJOEYTXYXBXLD-UHFFFAOYSA-N 127.147 1.522 10 10 ADCE [N-]=[N+]=N[C@@H]1CN2CCC1CC2 139812943 GLWQAKJENGVGOU-SSDOTTSWSA-N 152.201 1.391 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2[C@H]1N 144382467 BRBQDUISROFHCS-RKDXNWHRSA-N 174.207 1.921 10 10 ADCE CC(C)(C)NC(=O)OCN=[N+]=[N-] 202191096 LMGIPOOOMDRTKR-UHFFFAOYSA-N 172.188 1.779 10 10 ADCE CNCc1ccc(OC)c(CF)c1 213073466 BPQDQIGCGFKARC-UHFFFAOYSA-N 183.226 1.884 10 10 ADCE NCCc1cc(O)c(O)cc1Cl 214029867 ABBHEHBQUGICJX-UHFFFAOYSA-N 187.626 1.252 10 10 ADCE COc1ccc(C2(N)CC2)c(O)c1F 214877718 NGVIALAESQYNJZ-UHFFFAOYSA-N 197.209 1.488 10 10 ADCE CC(=O)CCC(=O)C(=O)C(C)C 238186230 JETLGTIMQDIWBM-UHFFFAOYSA-N 170.208 1.150 10 10 ADCE CCOC(=O)NCN=[N+]=[N-] 238275288 CGVSFVDBFUOKGE-UHFFFAOYSA-N 144.134 1.000 10 10 ADCE COc1ccc(O)c2c1CC[C@H]2N 238381542 OUGMQRACGCNPOE-SSDOTTSWSA-N 179.219 1.347 10 10 ADCE CN(CNN)c1ccc2c(c1)CCC2 259091550 NOPITEQPOYNYTQ-UHFFFAOYSA-N 191.278 1.032 10 10 ADCE [N-]=[N+]=NC[C@H]1CC[C@@]2(CCOC2)O1 536951003 YTYVHFVMBQUSKD-SFYZADRCSA-N 183.211 1.635 10 10 ADCE CC/C(C)=C/C(=O)OCC(=O)C(C)=O 838044609 PLRPNMTVMMSRDU-FNORWQNLSA-N 198.218 1.044 10 10 ADCE [N-]=[N+]=NCC1CCN(C(N)=O)CC1 885429566 LUZXLDQUMZZOHG-UHFFFAOYSA-N 183.215 1.087 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1nccs1 1535815919 MBOOEFCFUQMYEM-SCSAIBSYSA-N 170.197 1.487 10 10 ADCE CCOc1cccc(C[N+](=O)[O-])c1O 1535865595 WQFXHPIQABWYQJ-UHFFFAOYSA-N 197.190 1.568 10 10 ADCE CC(=O)C(=O)C1(O)CC(C(C)(C)C)C1 1887411369 RMPVOFVSHZOKFE-UHFFFAOYSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN(C[C@@H]2CCO2)C1 1888423371 XTJUHCCGFOZKBD-BDAKNGLRSA-N 196.254 1.550 10 10 ADCE CCNCCC=Cc1nccn1CC 1911554686 QGQBDTKRXVTBFV-UHFFFAOYSA-N 193.294 1.916 10 10 ADCE CC(C)[C@H](O)CN1CC[C@@H](N=[N+]=[N-])C1 1912164642 CJAWFUCWKMSROM-RKDXNWHRSA-N 198.270 1.388 10 10 ADCE CCC[S@](=O)N1CC(N=[N+]=[N-])C1 1912196256 KOOSNNAULKLNTC-LBPRGKRZSA-N 188.256 1.055 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(Cc2cnoc2)C1 1912203332 CSQIXHVIPAPZLL-QMMMGPOBSA-N 193.210 1.559 10 10 ADCE [N-]=[N+]=NS(=O)(=O)Cc1ccncc1 1954018220 RNHJJCJLDODUNN-UHFFFAOYSA-N 198.207 1.222 10 10 ADCE [N-]=[N+]=NC1CN([C@@H]2CCC[C@H]2F)C1 1954291200 NAPULHMNOJIYBZ-HTQZYQBOSA-N 184.218 1.872 10 10 ADCE CCCONCc1c(O)cccc1F 1955543237 DRYKUEIZUPBETF-UHFFFAOYSA-N 199.225 1.963 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)CC12CC2 1956753028 XZYORTIRRUDIQY-QMMMGPOBSA-N 196.254 1.286 10 10 ADCE [N-]=[N+]=NCCNC(=O)CC(F)(F)F 42012193 PJUWPAYWMXAQGG-UHFFFAOYSA-N 196.132 1.365 10 10 ADCE CC1CN(CCc2ccc(N)cc2)C1 86678151 PSWXWDLAVDZYJD-UHFFFAOYSA-N 190.290 1.763 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@@]1(O)C(=O)O 138023319 RJYPPVHFHOYCOZ-FSPLSTOPSA-N 185.183 1.055 10 10 ADCE CC(=O)C(=O)c1sccc1C 165476394 OWGWTASOVFXVBN-UHFFFAOYSA-N 168.217 1.828 10 10 ADCE C[C@H]1Cc2cc(O)c(O)cc2C(=O)O1 238482244 JQZALCBYHVNZHT-YFKPBYRVSA-N 194.186 1.199 10 10 ADCE C[C@@]1(O)CCC[C@H](N=[N+]=[N-])C1 238501170 WCXPOGUQXVYUIN-NKWVEPMBSA-N 155.201 1.990 10 10 ADCE N[C@H]1CCC[C@@H]1c1cc(O)nc(O)c1 238565740 OHBVVWKITKAYMJ-SFYZADRCSA-N 194.234 1.088 10 10 ADCE COc1ccc(N(C)CO)cc1F 258857670 FCUZIPLVFAJPJJ-UHFFFAOYSA-N 185.198 1.220 10 10 ADCE CN(C)N=Nc1cccc(N)c1 307883313 NPHBBKNETBQHMS-UHFFFAOYSA-N 164.212 1.829 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H]1CCN(C)C1 693424570 QIAJOMKEIMSXJS-VIFPVBQESA-N 197.286 1.323 10 10 ADCE N=[N+]=CC(=O)C12C[C@@H]3CC1C[C@H](C3)C2 725447201 VETDPSRUGKVKFF-PCWJGIJCSA-N 191.254 1.692 10 10 ADCE CC(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912182965 JHMKDDUBGZIVGY-SSDOTTSWSA-N 182.227 1.554 10 10 ADCE CC(=O)C(=O)c1ccnn1C(C)C 1951584897 JFFIIGVWUQLRCD-UHFFFAOYSA-N 180.207 1.236 10 10 ADCE [N-]=[N+]=NC[C@H](F)C1CCNCC1 1953592267 ZOUONBUKSFPFGG-ZETCQYMHSA-N 172.207 1.634 10 10 ADCE COC(=O)NCC1(CN=[N+]=[N-])CC1 1954203886 BIXYDNKLZOCNEA-UHFFFAOYSA-N 184.199 1.433 10 10 ADCE CC1(C)CO[C@@H]1CN1CC(N=[N+]=[N-])C1 1955397046 FKRZFZVIAMFZLK-MRVPVSSYSA-N 196.254 1.406 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CC[C@@]2(N)C1 1957249238 JIWIQEQKJFNWQW-RKDXNWHRSA-N 195.270 1.110 10 10 ADCE CSc1c(N)ccc(O)c1O 2060282919 WCOIVNLTLKDCTF-UHFFFAOYSA-N 171.221 1.402 10 10 ADCE Cc1ccc([C@H](NN)C2CC2)c(O)c1 2080453165 GAVHYMWEJCUWEH-LLVKDONJSA-N 192.262 1.615 10 10 ADCE C[C@@H](c1c(O)cccc1O)N1CCC1 2241766676 RXCDZZNMFJGAGX-QMMMGPOBSA-N 193.246 1.865 10 10 ADCE [N-]=[N+]=NCCCCOc1cnccn1 38950711 DXTOKOYUBLQAIB-UHFFFAOYSA-N 193.210 1.946 10 10 ADCE CC[C@H]1COCCN1CCCN=[N+]=[N-] 42415982 VIZYECUPYUZALL-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CNCCC[C@H](C)N=[N+]=[N-] 59618164 FXDMHIJCJOIKJA-LURJTMIESA-N 142.206 1.685 10 10 ADCE CC[C@@H](N)c1ccc(O)c(O)c1 59957696 YKEUZYBXTNURKV-SSDOTTSWSA-N 167.208 1.508 10 10 ADCE C[C@H]1NCCc2c(O)ccc(O)c21 75798955 MNWFHPLSSUYIBF-ZCFIWIBFSA-N 179.219 1.305 10 10 ADCE CC(=O)c1cc2c(c(O)c1O)OCO2 196368297 NBMQPZGGNGEKDL-UHFFFAOYSA-N 196.158 1.029 10 10 ADCE CCNC(=O)NCCCCN=[N+]=[N-] 231733107 VOMJVKVWMDNQFD-UHFFFAOYSA-N 185.231 1.396 10 10 ADCE COP(=O)(OC)[C@@H](O)CN=[N+]=[N-] 238360089 SBAWGRKBKHYVGB-SCSAIBSYSA-N 195.115 1.101 10 10 ADCE COC(=O)[C@H]1[C@H](N=[N+]=[N-])[C@H]2CC[C@H]1O2 306828419 INUVUHHFCYWXKY-DBRKOABJSA-N 197.194 1.016 10 10 ADCE C/C=C(/CO)[C@H](CCN=[N+]=[N-])[C@H](C)O 702701064 BZOWFMOEESWORB-XBFYPUGGSA-N 199.254 1.622 10 10 ADCE [N-]=[N+]=NC[C@H]1OCC[C@@]12CCOC2 757214461 YBMMZPIELSTBFN-HTQZYQBOSA-N 183.211 1.492 10 10 ADCE Nc1ccc(OC[C@@H]2CCNC2)cc1 1896284233 GFCFIQSUGAQHBL-SECBINFHSA-N 192.262 1.257 10 10 ADCE CO[C@H]1C[C@H](C)CN(CCN=[N+]=[N-])C1 1905550931 RTZXVZLWNBAULN-IUCAKERBSA-N 198.270 1.654 10 10 ADCE COC[C@H](C)N1CC(N=[N+]=[N-])C1 1912196048 JEOUWXUUYAONCA-LURJTMIESA-N 170.216 1.016 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CO[C@@H](C2)C1 1912198937 MGTJXBBZNIWMLV-IUCAKERBSA-N 196.254 1.408 10 10 ADCE CC1(CO)CN(CCCCN=[N+]=[N-])C1 1935347412 DEHKXPWRPWRKRC-UHFFFAOYSA-N 198.270 1.391 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC[C@@H]2C[C@H]21 1955196255 FSAHMLJYGUDVGR-BWZBUEFSSA-N 194.238 1.459 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C[C@H]1CN 1957243172 CSSSTUJTOHBEJG-RKDXNWHRSA-N 197.286 1.213 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCCNCC1 1957243378 DXSCJLNNBZWHNH-SECBINFHSA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NC[C@H](F)[C@@H]1CCOC1 2208973683 CKVKMHGYFQVUMT-RITPCOANSA-N 159.164 1.671 10 10 ADCE C[C@H](N)c1cccc(F)c1O 82844036 WBYCHYDVKNGTLZ-YFKPBYRVSA-N 155.172 1.551 10 10 ADCE CN[C@@H](c1ccc(O)c(O)c1)C1CC1 84353743 XKXIGVQZKAIBSB-LLVKDONJSA-N 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Cc1c[nH]c2ccc(O)c(CN)c12 84306299 QJTXTXXYEDRSJD-UHFFFAOYSA-N 176.219 1.641 10 10 ADCE N#C/N=[N+](\[O-])c1ccccc1 100434991 IIYWDRMGBBSUQS-KTKRTIGZSA-N 147.137 1.762 10 10 ADCE C[C@](CN)(CF)c1ccc(O)c(O)c1 107142221 TUPWGXVGSYVERO-SNVBAGLBSA-N 199.225 1.284 10 10 ADCE O=C1CC[C@@H]2CCCC[C@@H]2C1=O 146450605 VDWXOUWLBJFRLF-YUMQZZPRSA-N 166.220 1.725 10 10 ADCE ONCc1cc(F)c(F)cc1O 214090505 PWNFCRKYHODCLD-UHFFFAOYSA-N 175.134 1.149 10 10 ADCE CC(=O)O[C@H]1CSC[C@@H]1N=[N+]=[N-] 238099061 LJVSBWAFAMPUNI-WDSKDSINSA-N 187.224 1.344 10 10 ADCE N=Nc1cc[nH]c1 307446148 GTMLHFDNVJHKJQ-UHFFFAOYSA-N 95.105 1.677 10 10 ADCE C/C(=C\C(=O)OC(C)C)N=NC(N)=O 382569697 KGORDKRIUGJWFF-IDIMINPSSA-N 199.210 1.373 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@H]1CCOC1 398902462 DVTYQINOKFFGRP-SECBINFHSA-N 198.270 1.655 10 10 ADCE CN1CC[C@H](CN=[N+]=[N-])C1 575563000 PRZGYYNAJXIVFO-ZCFIWIBFSA-N 140.190 1.248 10 10 ADCE CCO[C@@H]1CCN(CCCN=[N+]=[N-])C1 701664652 YUQLTQZTTKVXBY-SECBINFHSA-N 198.270 1.798 10 10 ADCE 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10 10 ADCE Oc1ccccc1[C@@H]1NCC[C@H]1F 219582353 WKVLZMOLQAZWNL-SCZZXKLOSA-N 181.210 1.765 10 10 ADCE C[C@H](O)CCN(C)CCCN=[N+]=[N-] 219856972 HLTIZKOTLKCPDE-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE CC(C)c1ccc2c(c1O)[C@@H](N)CO2 238214846 AJOAOMSNWMMHOT-QMMMGPOBSA-N 193.246 1.908 10 10 ADCE COC[C@@H]1OC=C[C@@H](N=[N+]=[N-])[C@@H]1OC 238333667 MHXMETAYZIPXQC-CSMHCCOUSA-N 199.210 1.239 10 10 ADCE COc1cc(F)cc(C(C)(C)N)c1O 238350904 DCKDKBDGEBLHKR-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE CS[C@H](CN=[N+]=[N-])COC(C)=O 238385421 RMZBIVHYKIZFIW-ZCFIWIBFSA-N 189.240 1.591 10 10 ADCE [N-]=[N+]=NCCCC(=O)N1CCCC1=O 238633026 HSQFFPZKKHDXDZ-UHFFFAOYSA-N 196.210 1.226 10 10 ADCE C[C@H](N)c1c(O)c(F)cc(F)c1F 258045225 KDTWRDKQEAIYJE-VKHMYHEASA-N 191.152 1.829 10 10 ADCE C[C@H]1COC[C@H](C)N1CCCN=[N+]=[N-] 688909366 AEWKYYYLBOSNAY-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CN(CCCN=[N+]=[N-])CC1(C)COC1 702960170 LHGDSWXPUZNVKX-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE C[C@H]1COC[C@@H]1Oc1ccc(N)cc1 703614363 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C[C@@H]1C[C@H](CO)CCN1CCN=[N+]=[N-] 1956957219 KYVPMOBXPURARU-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE CN(C)CCN(C)c1ccc(N)cc1 19730733 BXIJUQJYXZCOFB-UHFFFAOYSA-N 193.294 1.267 10 10 ADCE N[C@@H]1CCCc2c(ccc(O)c2O)C1 28001758 ILEURPSSUKBLIM-MRVPVSSYSA-N 193.246 1.304 10 10 ADCE NCc1c(O)ccc2c1CCCC2=O 34110674 BFMJJUHGGDHNIG-UHFFFAOYSA-N 191.230 1.370 10 10 ADCE Oc1ccc2c(O)c[nH]c2c1O 39115812 YTTRLPDXPIJGBK-UHFFFAOYSA-N 165.148 1.285 10 10 ADCE CC(=O)O[C@@H](C)[C@H](C)N=[N+]=[N-] 39235528 GAQFPAIPPQPUDL-WHFBIAKZSA-N 157.173 1.637 10 10 ADCE S=Cc1ccncc1 72230829 SJYLPYGCNUTIEH-UHFFFAOYSA-N 123.180 1.429 10 10 ADCE Nc1ccc(Cc2cc(O)n[nH]2)cc1 82390939 ORMFAGJOVYGDOO-UHFFFAOYSA-N 189.218 1.288 10 10 ADCE C[C@@H](NC1COC1)c1ccccc1O 87194747 NVQVNAGBUIDZDZ-MRVPVSSYSA-N 193.246 1.442 10 10 ADCE C[C@@H](C(=O)NCCCN=[N+]=[N-])C1CC1 164064322 JKIJKGDBIXYWEY-SSDOTTSWSA-N 196.254 1.849 10 10 ADCE CC[C@H]1OCC[C@@H]1N=[N+]=[N-] 214312805 PLIXPUXOYJKHHV-NTSWFWBYSA-N 141.174 1.864 10 10 ADCE CN(O)Cc1ccc2ncoc2c1O 214760463 PCKVFCDIVHDMOC-UHFFFAOYSA-N 194.190 1.354 10 10 ADCE O=C(O)C(=S)Cc1ccoc1 238672050 XGRMSWDNTMPVIT-UHFFFAOYSA-N 170.189 1.277 10 10 ADCE Cc1cn(C)nc1[C@H](CO)N=[N+]=[N-] 1535649885 BEIHYCJHFVAPMO-LURJTMIESA-N 181.199 1.072 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2C[C@@H]2CO1 1880237182 KZXANZTURSSMLE-QYNIQEEDSA-N 153.185 1.722 10 10 ADCE CO[C@H]1C[C@@H]1CN1CC(N=[N+]=[N-])C1 1882813190 LEQIMEIFLLINQX-SVRRBLITSA-N 182.227 1.016 10 10 ADCE CC1(C)C[C@@H](CN)CN1CCN=[N+]=[N-] 1887825971 OKEYXLXYLMEIKV-QMMMGPOBSA-N 197.286 1.356 10 10 ADCE CC[C@@](O)(C(=O)C(C)=O)c1ccco1 1918505110 OWNLHRYWHHKOPT-JTQLQIEISA-N 196.202 1.035 10 10 ADCE CCC(C)(C)C[C@H](O)C(=O)C(C)=O 1929641557 SXOLBCOSDXHBKV-QMMMGPOBSA-N 186.251 1.332 10 10 ADCE [N-]=[N+]=NCCc1ccc(Cl)nn1 1951398634 OWLOHEPZYNSBKG-UHFFFAOYSA-N 183.602 1.983 10 10 ADCE [N-]=[N+]=N[C@@H]1CC2(CC[C@H]1O)CC2 1953690254 NQZHHBUNDJRKEV-RNFRBKRXSA-N 167.212 1.990 10 10 ADCE C[C@H]1C[C@@H](N)CN1CCCCN=[N+]=[N-] 1957245260 WDXWYXQVGWNQCK-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE C[C@@H](O)[C@@H](C)N=[N+]=[N-] 4748470 SYJYCKNUUFGZBU-QWWZWVQMSA-N 115.136 1.066 10 10 ADCE O=C1CCCc2cc(O)c(O)cc21 32220896 POBJBWINAQGAEP-UHFFFAOYSA-N 178.187 1.617 10 10 ADCE CC(=O)C[C@]1(O)CCC[C@@H]1N=[N+]=[N-] 36477246 KOMQTCKWJSICLB-JGVFFNPUSA-N 183.211 1.559 10 10 ADCE CC(C)(N)COc1ccc(N)cc1 114566852 YUTMEBRYSJBVKF-UHFFFAOYSA-N 180.251 1.385 10 10 ADCE CCO[C@H](Cc1ccc(N)cc1)OC 197980900 MBBSATKYFUPGPL-LLVKDONJSA-N 195.262 1.820 10 10 ADCE C[C@@H]1CCCCN1C[C@@H](O)CN=[N+]=[N-] 203325416 HERNXFIHJJRPCA-BDAKNGLRSA-N 198.270 1.532 10 10 ADCE Cc1[nH]c2cc(N)c(O)c(O)c2c1C 213601934 KBUTXYGGZYAXQL-UHFFFAOYSA-N 192.218 1.778 10 10 ADCE Cc1cc(F)c(O)c(CN)c1Cl 214582785 NCKOLGQJMYTPAW-UHFFFAOYSA-N 189.617 1.952 10 10 ADCE Cc1cc([C@H]2CCCN2)c(O)cc1O 214729841 NBJDEUXDUOQPGB-SECBINFHSA-N 193.246 1.831 10 10 ADCE C[C@H](N=[N+]=[N-])[C@H]1CO1 217436395 TWAGCEUJUHUREV-IUYQGCFVSA-N 113.120 1.084 10 10 ADCE CCOC(=O)N[C@H](C)N=[N+]=[N-] 238284289 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NN[C@H](c1ccccc1O)C1(F)CC1 1905731478 HAUUBRLXNKONNC-SECBINFHSA-N 196.225 1.399 10 10 ADCE [N-]=[N+]=NC1CN(CC=CCl)C1 1912205737 HAAKUMQUGYGVRN-UHFFFAOYSA-N 172.619 1.733 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cnc(Cl)cn1 1951469395 GYMBEAVKGQAMOC-RXMQYKEDSA-N 199.601 1.474 10 10 ADCE CC(=O)C(=O)Cc1cccc(O)c1 1951519048 VDSMBECTEQISRU-UHFFFAOYSA-N 178.187 1.093 10 10 ADCE NCCC=Cc1cc(O)c(O)c(O)c1 1951732852 IVKSKAFSQFEOFS-UHFFFAOYSA-N 195.218 1.165 10 10 ADCE COc1cc(CN=[N+]=[N-])ncn1 1953595455 LUTDRYSLEBWAEF-UHFFFAOYSA-N 165.156 1.296 10 10 ADCE Cc1cc(CN=[N+]=[N-])c[nH]c1=N 1953643897 LQLQCRAISJBQCB-UHFFFAOYSA-N 163.184 1.613 10 10 ADCE CCN[C@H](C)c1ccc(O)cc1O 19475715 GBOFPSMJZNEPHG-SSDOTTSWSA-N 181.235 1.768 10 10 ADCE CNC[C@H]1CCc2c1ccc(O)c2O 29210370 YOQZSZXAEUVQAT-SSDOTTSWSA-N 193.246 1.347 10 10 ADCE NC[C@@H]1CCCc2c1ccc(O)c2O 29210514 VPOYXJCSYGIZMX-ZETCQYMHSA-N 193.246 1.476 10 10 ADCE CNCC[C@@H](C)c1ccc(O)c(O)c1 84357533 OMORSGUQVDXHGS-MRVPVSSYSA-N 195.262 1.811 10 10 ADCE CC(C)[C@H](N)c1c(O)cc(O)cc1O 95685107 SVTCGIIHIYRKOL-JTQLQIEISA-N 197.234 1.459 10 10 ADCE Cc1c(C)c(O)c(O)c(C)c1O 118335457 JLLLCRZHEMJOPX-UHFFFAOYSA-N 168.192 1.729 10 10 ADCE Cc1cccc(CNO)c1O 156794457 UPRXJGZQXZFFLV-UHFFFAOYSA-N 153.181 1.179 10 10 ADCE CC(=O)C(=O)[C@@H]1CC=C(C)CC1 238235717 BOBOEZNAHSNBRQ-SECBINFHSA-N 166.220 1.891 10 10 ADCE C[C@@H](CC1(C)OCCO1)N=[N+]=[N-] 238407223 WXFLCFPROSBIQB-LURJTMIESA-N 171.200 1.838 10 10 ADCE Cl/N=N/c1nnc[nH]1 238540123 YVCRGSIUNISODB-BQYQJAHWSA-N 131.526 1.042 10 10 ADCE CCOC(=O)[C@@](F)(CC)CN=[N+]=[N-] 238797500 QXAMBRRGEJCZMF-SSDOTTSWSA-N 189.190 1.978 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCCN1 575576551 TUWWBUCXBQXRFN-ZCFIWIBFSA-N 140.190 1.439 10 10 ADCE [N-]=[N+]=NCCO[C@@H]1CC1(F)F 688985606 KNFZFIOSBNUODA-SCSAIBSYSA-N 163.127 1.721 10 10 ADCE Cc1noc(CCCN=[N+]=[N-])n1 700807236 AVNLPLXTLUSYLJ-UHFFFAOYSA-N 167.172 1.621 10 10 ADCE CC[C@@H]1C[C@H](C)O[C@H](CN=[N+]=[N-])N1 885456482 YDTUYYSSJZGHJW-XLPZGREQSA-N 184.243 1.800 10 10 ADCE CC(C)(C)[C@@H]1CN[C@@H](CN=[N+]=[N-])O1 885458602 XKAOCTLRBMDHNA-NKWVEPMBSA-N 184.243 1.657 10 10 ADCE CCN(CCN=[N+]=[N-])Cc1cn[nH]c1 1887718459 XNERJZDJAGUKNC-UHFFFAOYSA-N 194.242 1.542 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2CCOC2)C1 1888512838 LQZMCVXXIJEVDQ-SSDOTTSWSA-N 182.227 1.017 10 10 ADCE CCNCCCNc1ccc(N)cc1 1888912928 SNCPGAPLNUJPIQ-UHFFFAOYSA-N 193.294 1.680 10 10 ADCE Oc1cc(F)ccc1CN[C@@H]1C[C@H]1F 1904389344 FSCXCQNGRHPDBU-RKDXNWHRSA-N 199.200 1.731 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1[C@H](CO)C2 1935288951 OWTQDBRKZLEWFS-CIUDSAMLSA-N 196.254 1.142 10 10 ADCE CN[C@@H](COC)c1cc(C)ccc1O 1951856693 SARXKVLGGZENJJ-JTQLQIEISA-N 195.262 1.608 10 10 ADCE NCC[C@H]1C[C@H]1c1ccc(O)c(O)c1 1951861897 YXBURWAOCZMQKH-IUCAKERBSA-N 193.246 1.550 10 10 ADCE Nc1cccc(F)c1N[C@H]1CC[C@H]1O 1955650414 PWYIPOQOVISAEX-DTWKUNHWSA-N 196.225 1.343 10 10 ADCE C[C@H]1C(C(=O)N2CC(N=[N+]=[N-])C2)[C@@H]1C 1955680707 VSJCZMRHMJTVHT-PHDIDXHHSA-N 194.238 1.410 10 10 ADCE O=[N+]([O-])c1cc(Cl)cc(O)c1O 27983364 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885912374 HQPREYCXSVBCLH-MRVPVSSYSA-N 197.279 1.187 10 10 ADCE Cn1ccc2c([C@H]3C[C@H]3N)cccc21 1535797709 LWIPSMBNNPFRSY-GHMZBOCLSA-N 186.258 1.993 10 10 ADCE CC(C)C[C@H]1CN[C@H](CN=[N+]=[N-])OC1 1884861569 GXMHCFRNXYZMNL-IUCAKERBSA-N 198.270 1.905 10 10 ADCE CCN(CCN=[N+]=[N-])Cc1ncco1 1887716762 BUOUHOURAQXMMB-UHFFFAOYSA-N 195.226 1.807 10 10 ADCE CC(=O)C(=O)[C@@H](O)CCCCC1CC1 1890417524 RHFNYVHYJHORQH-JTQLQIEISA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@]12CCC[C@H]1C2 1893742756 DVWSUBAVHYGLFS-FXQIFTODSA-N 167.212 1.848 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@@H]2CC1=O 1912199412 RYEGFAAFJVOFLV-SFYZADRCSA-N 194.238 1.555 10 10 ADCE CN[C@@H](c1ccccc1O)C(F)F 1928468561 YDLAQBPUCFBMBZ-QMMMGPOBSA-N 187.189 1.918 10 10 ADCE Cc1cnc(SCCCO)s1 1930674690 CWKGMYMSEMYMCE-UHFFFAOYSA-N 189.305 1.926 10 10 ADCE C[C@]1(N)C[C@@H]1c1cccc(O)c1O 1952377289 WYNJIUZAZCATPE-XCBNKYQSSA-N 179.219 1.303 10 10 ADCE COC[C@@H]1C[C@@H]1Nc1ccccc1N 1957226308 ZHHFVQINKFLJGD-KWQFWETISA-N 192.262 1.716 10 10 ADCE Cc1sc(CN)c(C)c1O 2208923395 VGQCPCYOXTWAIN-UHFFFAOYSA-N 157.238 1.529 10 10 ADCE Oc1cccc(CNC2CC2)c1O 41049362 VFTVWIDFJVUELE-UHFFFAOYSA-N 179.219 1.350 10 10 ADCE CN1CCC(N=[N+]=[N-])CC1 75411553 CNWPODKDGNNSAI-UHFFFAOYSA-N 140.190 1.391 10 10 ADCE CCN(CCN=[N+]=[N-])CC(C)(C)O 86274757 WNDPGXHMBXMYAI-UHFFFAOYSA-N 186.259 1.390 10 10 ADCE CC1(C)OC[C@H](CCN=[N+]=[N-])O1 141555525 QDZTXYAACRQHJJ-LURJTMIESA-N 171.200 1.838 10 10 ADCE C[C@H](CO)COCc1ccc(N)cc1 161781340 VJYXMDSSDKZEFU-SECBINFHSA-N 195.262 1.414 10 10 ADCE CCNCC/C=C(\C)c1nccn1C 211705589 FZGGFIWHHUNNQQ-UXBLZVDNSA-N 193.294 1.823 10 10 ADCE CN[C@@H](C)c1cccc([N+](=O)[O-])c1O 211794512 PHPUBXXKYFOPBH-LURJTMIESA-N 196.206 1.581 10 10 ADCE CN(C)c1ccc(/C(N)=C/O)cc1 238311408 NLTSKBGHUPSXBH-YFHOEESVSA-N 178.235 1.568 10 10 ADCE [N-]=[N+]=NC/C=C/[C@@H]1C[C@@H]1C(=O)O 238628649 HGEIQQBQAMBDGB-GONBATFASA-N 167.168 1.574 10 10 ADCE O=C1CC[C@H](c2ccc(F)cc2O)N1 238699598 IHCMZFAIEDXKFH-MRVPVSSYSA-N 195.193 1.482 10 10 ADCE CCNCc1ccc(C(=O)O)cc1O 258239489 ZNGQPJAJGJUNGK-UHFFFAOYSA-N 195.218 1.200 10 10 ADCE CC(=O)O[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2N=[N+]=[N-] 306470365 QKRALCMUKCPNDG-JITZTYRVSA-N 193.206 1.493 10 10 ADCE Cc1ccc(/N=N/C(N)=S=O)cc1 307568831 UPEVPROZVXGKDP-ZHACJKMWSA-N 195.247 1.338 10 10 ADCE CCN1CC(CN(C)CCN=[N+]=[N-])C1 692663962 MLUWKHSYQQTQGK-UHFFFAOYSA-N 197.286 1.180 10 10 ADCE C[C@@H](N)CCc1ccc(O)c(O)c1O 1535836817 XTHWLHFRMZABIQ-ZCFIWIBFSA-N 197.234 1.083 10 10 ADCE CCOC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CCO1 1857784274 BKXFWKSXXKZOTP-BQBZGAKWSA-N 199.210 1.407 10 10 ADCE CO[C@@H]1C[C@@H]2[C@H]1CCN2CCN=[N+]=[N-] 1877977246 UTSUJIYNXBTRNE-IWSPIJDZSA-N 196.254 1.406 10 10 ADCE C[C@@H]1[C@@H](O)CC[C@H]1N=[N+]=[N-] 1880028293 PTCJQMIETUHCBT-JKUQZMGJSA-N 141.174 1.456 10 10 ADCE Nc1ccc(N=c2cns[nH]2)cc1 1882642856 QFUWVCIEUBZZBB-UHFFFAOYSA-N 192.247 1.286 10 10 ADCE C[C@@H](O)COCCc1ccc(N)cc1 1884367124 LSAFXIGHUDLQJM-SECBINFHSA-N 195.262 1.209 10 10 ADCE N[C@H](c1cnco1)c1ccccc1O 1885004475 XTOFABXMSHYJAL-JTQLQIEISA-N 190.202 1.428 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@@]2(CO)C1 1896245703 LANCEQAPGXGVMR-BDAKNGLRSA-N 196.254 1.001 10 10 ADCE COc1ccc(CN=[N+]=[N-])c(OC)n1 1951383701 QKLQWVCERWODLV-UHFFFAOYSA-N 194.194 1.909 10 10 ADCE C[C@@]1(c2ccc(O)c(O)c2)CCN1 1952211397 BVRJIMLBEUXVMI-JTQLQIEISA-N 179.219 1.306 10 10 ADCE CC[S@](=O)Cc1ccc(N)cc1 40965316 QNYXIKXUKSTYEY-GFCCVEGCSA-N 183.276 1.537 10 10 ADCE [N-]=[N+]=NCCSc1ncns1 87516047 LAIIKYNJPFKDKQ-UHFFFAOYSA-N 187.253 1.941 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)N[C@@H]1C1CCCCC1 136683065 AYBBHVYVBSYBPP-HTQZYQBOSA-N 194.238 1.744 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCCCN1 165899704 LTMAWELWFJPJTF-SSDOTTSWSA-N 154.217 1.829 10 10 ADCE C[C@@H]1C[C@H](N=[N+]=[N-])CN1 218531527 FJTNVTWDUCTUKQ-UHNVWZDZSA-N 126.163 1.047 10 10 ADCE CC(C)CNCc1cc(N)ccc1O 238135567 GPOARESCOOKPCX-UHFFFAOYSA-N 194.278 1.720 10 10 ADCE CCc1ccc([C@@H](N)CF)c(O)c1 238291618 CWMIDJZNKUTMGZ-VIFPVBQESA-N 183.226 1.924 10 10 ADCE COC[C@@H](N=[N+]=[N-])c1ncc(F)cn1 238383782 ISTYFSAGNCQAJX-ZCFIWIBFSA-N 197.173 1.614 10 10 ADCE CC1=C(C)CN(CCN=[N+]=[N-])C1 1881588486 NVEKQALVYXWWDP-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H](F)C1=O 1889042761 PSSTZCPJJPNAOZ-ZCFIWIBFSA-N 186.190 1.257 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C(=O)C2(F)CC2)C1 1905696205 PHUVXPACTSJHOZ-LURJTMIESA-N 198.201 1.400 10 10 ADCE C[C@@H]1CCNC[C@H]1N=[N+]=[N-] 1912155137 KARUBAIDYPPVHD-PHDIDXHHSA-N 140.190 1.295 10 10 ADCE [N-]=[N+]=NCCCN1CC(F)(F)C1 1912163682 MQBSMGHTDHKYSV-UHFFFAOYSA-N 176.170 1.638 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@H]1CO 1912189619 XLHKVAOERYJGMN-VIFPVBQESA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=NCCNC(=O)N[C@H]1C=CCC1 1966657251 BLSOSODERGKKRL-ZETCQYMHSA-N 195.226 1.315 10 10 ADCE COC(=O)[C@H](C)CN=[N+]=[N-] 6036568 AWKLAGQCWMZXOZ-SCSAIBSYSA-N 143.146 1.106 10 10 ADCE CCOC(=O)/N=N/C(=O)OC 39437718 YIGUQRNOYULHHV-VOTSOKGWSA-N 160.129 1.362 10 10 ADCE CC(C)[C@H](N)c1ccc(O)c(O)c1O 95673169 HERVDESQTMVCEG-QMMMGPOBSA-N 197.234 1.459 10 10 ADCE COC[C@H](N)c1cc(C)ccc1O 104663909 LZTNMXJDVQBJPK-VIFPVBQESA-N 181.235 1.347 10 10 ADCE Nc1ccc(OCC2OCCO2)cc1 139509541 SECFBHNTGCVMMC-UHFFFAOYSA-N 195.218 1.021 10 10 ADCE CCCN(CO)/N=N/c1cccnc1 196187027 XQUJTODRHSUBPX-VAWYXSNFSA-N 194.238 1.742 10 10 ADCE Oc1ccccc1[C@H]1C[C@H](F)CN1 219583306 SXEZDQFICWRUHB-IONNQARKSA-N 181.210 1.765 10 10 ADCE O=C1O[C@@H]2CCCC[C@H]2/C1=C\O 225908794 YTOLNTIVKNZDJG-MGRRSFKLSA-N 168.192 1.544 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CC[C@@H]2O[C@@H]21 238596726 LRWZXCJBWWNMLU-NGJCXOISSA-N 137.142 1.393 10 10 ADCE NC1(c2cc([N+](=O)[O-])ccc2O)CC1 257971002 CUFIGWGAQWQVNV-UHFFFAOYSA-N 194.190 1.248 10 10 ADCE Oc1ccc(C2(O)CC2)c(F)c1O 258061789 LKAKFSRQKNYZBT-UHFFFAOYSA-N 184.166 1.218 10 10 ADCE CC[C@@H](O)[C@H](N)c1cccc(C)c1O 306223198 RONXCTDFLZAWEV-NXEZZACHSA-N 195.262 1.471 10 10 ADCE CC(C)C[C@H](N)c1cc(O)nc(O)c1 713753515 MSKNYJLSRPAHID-QMMMGPOBSA-N 196.250 1.539 10 10 ADCE CC1(C(=O)NCCN=[N+]=[N-])CCC1 720785212 BLTXVCCISFXLOM-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE CC[C@]1(C)COC[C@H](CN=[N+]=[N-])O1 958692351 VTHLYUUHCPJCEG-JGVFFNPUSA-N 185.227 1.881 10 10 ADCE OCC1(c2cccc(O)c2O)CC1 1535736720 OIAZPBHCQHGVKM-UHFFFAOYSA-N 180.203 1.122 10 10 ADCE C[C@]1(CCO)CCN(CCN=[N+]=[N-])C1 1887604802 PXTVKMUIIIYMII-SECBINFHSA-N 198.270 1.391 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CCF)C1 1912191231 OUXPRKNPLOIFBB-ZCFIWIBFSA-N 158.180 1.341 10 10 ADCE COc1cccc(O)c1[C@]1(C)CCN1 1952226616 UDVTWXLEXVNOKP-NSHDSACASA-N 193.246 1.609 10 10 ADCE C[P@]1(=O)C[C@H](O)[C@@H](N=[N+]=[N-])C1 1953331937 AJGACWFULZRRKB-PIICZHFCSA-N 175.128 1.033 10 10 ADCE C[C@H](N)[C@@H](N=[N+]=[N-])c1ccccn1 1954081180 KFWBRRXXTWMLIN-POYBYMJQSA-N 177.211 1.780 10 10 ADCE CO[C@@H](C)CCN1CC[C@@H](N=[N+]=[N-])C1 1956341338 GQPNRXKSUVNOCY-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CCc1sc(O)c(O)c1N 2080397669 JRBVHUJCEITKOA-UHFFFAOYSA-N 159.210 1.304 10 10 ADCE S=C1CCCC1 34628853 WCOOTBDRCHTKSY-UHFFFAOYSA-N 100.186 1.930 10 10 ADCE CNCc1ccc2c(c1)CCCO2 34936257 OYZVOCNCDRSGDZ-UHFFFAOYSA-N 177.247 1.731 10 10 ADCE in-vitro [N-]=[N+]=N[C@@H]1c2ccccc2C[C@@H]1O 36420009 GGUSIXKVMSRGIH-DTWKUNHWSA-N 175.191 1.955 10 10 ADCE Oc1cccc(O)c1[C@@H]1CCCN1 72201508 NNNRSRBHMRNTCV-ZETCQYMHSA-N 179.219 1.522 10 10 ADCE CC[C@H](CO)NCc1ccc(N)cc1 83342155 GFQUPJFEBDIORM-LLVKDONJSA-N 194.278 1.129 10 10 ADCE CC[C@@H](N)c1cc(O)c(O)c(O)c1 95669344 SLBRSACGSNVBFN-ZCFIWIBFSA-N 183.207 1.213 10 10 ADCE N[C@H]1CCCc2cc(O)c(O)c(O)c21 95786731 UGTLXWZZDITDPW-LURJTMIESA-N 195.218 1.140 10 10 ADCE Cn1c(Cl)nc2cc(O)c(O)cc21 95922651 HFPIVJMZKQYETL-UHFFFAOYSA-N 198.609 1.638 10 10 ADCE CCOC(=O)C(C)(C)C(=O)CN=[N+]=[N-] 159664353 NKLWWCANXXIXFG-UHFFFAOYSA-N 199.210 1.455 10 10 ADCE CCc1cc([C@H](C)N)c(O)cc1OC 214814955 FSHAQRGURZHHPO-ZETCQYMHSA-N 195.262 1.983 10 10 ADCE CCOCc1ccc(O)c(O)c1 238294923 QKLTYJCFWAJSON-UHFFFAOYSA-N 168.192 1.634 10 10 ADCE CC[C@H](N)c1cc(CCN)ccc1O 238311833 VVEKPJBXHRJZIA-JTQLQIEISA-N 194.278 1.303 10 10 ADCE CC(=O)C(=O)[C@@H](C)[C@H](C)C(C)=O 238432493 XLHLJIDEHJSKET-WDSKDSINSA-N 170.208 1.006 10 10 ADCE [N-]=[N+]=N[C@]1(C(=O)O)CCCC[C@@H]1O 238681125 FQERWYZKODQVLG-CAHLUQPWSA-N 185.183 1.055 10 10 ADCE CSc1cccc(O)c1[C@@H](N)CO 258111027 LLMWAVRYJRJBKX-LURJTMIESA-N 199.275 1.106 10 10 ADCE CC(C)(N)c1cc(O)c(F)cc1O 258207553 ZBOPBLZBDZGYGW-UHFFFAOYSA-N 185.198 1.431 10 10 ADCE [N-]=[N+]=NCc1ncc(Cl)cn1 306334910 AAQRPONYXUTYBL-UHFFFAOYSA-N 169.575 1.940 10 10 ADCE N[C@H]1COc2c(F)cc(F)c(O)c21 713760796 HYHVGDMPXHICCG-YFKPBYRVSA-N 187.145 1.063 10 10 ADCE C[C@@H]1C[C@H]1CCC(=O)NCCN=[N+]=[N-] 1877423437 SCECLAZCUYVFCV-HTQZYQBOSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@@H]2CCO[C@H]12 1877973093 HVVJVBQUKIKTQK-HSNKUXOKSA-N 183.211 1.083 10 10 ADCE NCC=Cc1ccc(O)c(O)c1F 1911650368 HAZHSPBABMFDLS-UHFFFAOYSA-N 183.182 1.209 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@H]2COCC[C@@H]21 1912183126 LKVHUJPJDRQGBD-QYNIQEEDSA-N 153.185 1.579 10 10 ADCE COC[C@@](C)(N)c1ccccc1O 1928477329 SISFXJJFBWZQHD-SNVBAGLBSA-N 181.235 1.213 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCC2(CCC2)C1 1955740829 MQNHYUAHDVMCML-LLVKDONJSA-N 196.246 1.230 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@]2(CCO2)CC[C@H]1O 2209237314 FIXNAJGTSIQWOY-PRJMDXOYSA-N 183.211 1.369 10 10 ADCE CC[C@H]1[C@@H](O)CCN1CCCN=[N+]=[N-] 2242160685 VSJXNMXZNLGPJI-IUCAKERBSA-N 198.270 1.532 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H](C)O 4748469 SYJYCKNUUFGZBU-IUYQGCFVSA-N 115.136 1.066 10 10 ADCE CCc1cccc([C@@H](C)N)c1O 95717115 MKLOQNFUETZCKQ-SSDOTTSWSA-N 165.236 1.974 10 10 ADCE O=C1CCC(=O)c2c(O)cccc21 100078576 VYTBDSUNRJYVHL-UHFFFAOYSA-N 176.171 1.551 10 10 ADCE biogenic,in-vitro CNCc1c(O)ccc2c1CCC2 108291679 PIUWOCHRKWNNHU-UHFFFAOYSA-N 177.247 1.600 10 10 ADCE CNCc1cc(OC)cc(C)c1O 212929060 HBWQSSDLVPGYOA-UHFFFAOYSA-N 181.235 1.429 10 10 ADCE COC(=O)[C@@H](N=[N+]=[N-])[C@H](C)C1CC1 238373747 OOOJAKDLZDVZKE-VDTYLAMSSA-N 183.211 1.884 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H](N=[N+]=[N-])O1 238533990 MHTRYPCUXGBIFE-ZXZARUISSA-N 152.117 1.846 10 10 ADCE Nc1c(O)ccc2c(O)csc12 306598473 PSNZFZUTLSTBPF-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CO[C@@H](C)CN(C)CCN=[N+]=[N-] 308075034 CZQSWGZSXPEGJB-ZETCQYMHSA-N 172.232 1.263 10 10 ADCE CC[C@@H](NO)c1cccc(OC)c1O 379341791 YKPCFVAUJDBLTR-MRVPVSSYSA-N 197.234 1.831 10 10 ADCE C[C@H]1CCC(=O)N(CCN=[N+]=[N-])C1 689004056 YLGHJKMMYDWKLQ-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE Nc1ccc(OCc2ccon2)cc1 720368524 RUCVHBMFVFZONL-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE CC[C@]1(C)CCO[C@@H](CN=[N+]=[N-])N1 885456385 MITVCBCKQPAZIT-JGVFFNPUSA-N 184.243 1.801 10 10 ADCE C[C@@H]1C/C(=C\c2nccn2C)CN1 953007249 ZHCYBWSCGLHFFP-GTUWVTDSSA-N 177.251 1.185 10 10 ADCE CC1=N[C@H](c2ccccc2O)N(C)O1 38325167 IOLNTQUWYVYKDV-JTQLQIEISA-N 192.218 1.686 10 10 ADCE [N-]=[N+]=NCc1cnsn1 39648814 XHRMSSSZUSAQPO-UHFFFAOYSA-N 141.159 1.348 10 10 ADCE C[C@@H]1C[C@@H]1NCc1ccc(N)cc1 52294309 VPPVMWYLKYDDGJ-KCJUWKMLSA-N 176.263 1.767 10 10 ADCE C[C@H](N)c1cc2c(cc1O)COC2 108292284 DVHISPWGKKCJKO-LURJTMIESA-N 179.219 1.442 10 10 ADCE Cn1ccc2c(CC(N)=O)cccc21 118462669 XFWYMTDZDORNQU-UHFFFAOYSA-N 188.230 1.206 10 10 ADCE N[C@H]1CCCc2c(F)ccc(O)c21 211795265 AVDSKSURNPVGTO-QMMMGPOBSA-N 181.210 1.867 10 10 ADCE C[C@@H](C(=O)O)[C@H](N)c1ccccc1O 213835024 FTTHDBQAPJVMAW-MUWHJKNJSA-N 195.218 1.113 10 10 ADCE CCCC(=O)C(=O)c1ccc[nH]1 218704343 MPASYZDEKZLHHJ-UHFFFAOYSA-N 165.192 1.567 10 10 ADCE CC(=S)c1ccc(O)cc1O 238087213 XUUMVLIKNAIHBZ-UHFFFAOYSA-N 168.217 1.836 10 10 ADCE N[C@@]1(c2ccccc2O)CC[C@H](O)C1 259686398 JNDLEVYBMZDSSW-KWQFWETISA-N 193.246 1.091 10 10 ADCE COC(=O)/C(=C/O)Nc1ccccc1 306295567 JMKWMOLDGMZPNH-CLFYSBASSA-N 193.202 1.671 10 10 ADCE C[C@@H]1[C@H](O)CCCN1CCN=[N+]=[N-] 307737635 VGMWIDWFEUSDQH-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H](C)OC 383046403 XGTUOKGDCXDGTO-QMMMGPOBSA-N 186.259 1.654 10 10 ADCE CN[C@@H](C)C(=O)[C-]1C(C)=C=S=C1C 885870386 HJQNUKMFDJMWJY-ZETCQYMHSA-N 196.295 1.024 10 10 ADCE COc1ncc(CN=[N+]=[N-])s1 1535734149 XQXMQQNWGMBQSG-UHFFFAOYSA-N 170.197 1.962 10 10 ADCE COC[C@@H]1CC[C@H](N=[N+]=[N-])C[C@H]1O 1882579516 QUKOYZAVDQSFFR-BIIVOSGPSA-N 185.227 1.473 10 10 ADCE CC[C@]1(C)CC(=O)N1CCN=[N+]=[N-] 1883104611 HHWVLSUCFLZVDY-MRVPVSSYSA-N 182.227 1.698 10 10 ADCE Oc1c(F)cccc1CN[C@H]1C[C@H]1F 1887535939 GVUXZAIQGUQAIH-BDAKNGLRSA-N 199.200 1.731 10 10 ADCE CC[C@](O)(C(=O)C(C)=O)C1CCCC1 1929169330 DWPBLIJLIURIDF-LLVKDONJSA-N 198.262 1.476 10 10 ADCE C[C@H]1NCCC1=Cc1nccn1C 1932924738 UKVYTHVNUVPFNL-MRVPVSSYSA-N 177.251 1.185 10 10 ADCE CC[C@@H](O)CN(CCN=[N+]=[N-])C1CC1 1956057142 CSPTWKUVJHZUHR-SECBINFHSA-N 198.270 1.532 10 10 ADCE CC(=O)C(=O)C1CCCCC1 136738453 UHGKSOIQSKXPQA-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE O=C1C[C@H]2CCCC[C@@H]2C1=O 141744796 VYSBGFRPFIPZJT-RQJHMYQMSA-N 152.193 1.335 10 10 ADCE Oc1cccc2c1CNC[C@H]2F 219403209 TXWBLROKEXDCAD-MRVPVSSYSA-N 167.183 1.506 10 10 ADCE Nc1ccc(N2CC(F)C2)cc1 224836674 QHMULWFVRIANIJ-UHFFFAOYSA-N 166.199 1.427 10 10 ADCE CC1(C)O[C@H]2C=C(CN=[N+]=[N-])O[C@H]2O1 238190502 CVRWSZVZQIXGNY-BQBZGAKWSA-N 197.194 1.688 10 10 ADCE CC[C@H](O)N=[N+]=[N-] 238309310 SEOVUYCETFJOGT-VKHMYHEASA-N 101.109 1.025 10 10 ADCE N[C@H]1CCc2cc(F)cc(O)c21 238626564 UURWUBBNPUJKOK-ZETCQYMHSA-N 167.183 1.477 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H](O)[C@@H]1F 238695116 HBIYVRRIGCNLAI-MROZADKFSA-N 145.137 1.158 10 10 ADCE C/C=C\[C@@](C)(CO)N=[N+]=[N-] 394927172 GSBOAFWFMAZOFC-SYDCGGLASA-N 141.174 1.624 10 10 ADCE C[C@H](O)CCc1ccc(O)c(O)c1O 1535836548 WTDBQNWBGGFSJA-LURJTMIESA-N 198.218 1.117 10 10 ADCE CCCCCN1CCC(=O)C(=O)CC1 1615890914 IMICJUPOTFMNND-UHFFFAOYSA-N 197.278 1.411 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@@H]2COC[C@@H]2O1 1893382233 KVABSMOHVBQNMU-CSMHCCOUSA-N 183.211 1.491 10 10 ADCE CC(=N)NCCc1ccc(O)c(O)c1 1923888831 SQGRJMYKCAIWIY-UHFFFAOYSA-N 194.234 1.227 10 10 ADCE CO[C@@H](C)C[C@@H](N)c1ccccc1O 1928473089 XQMLBTUOPUQQDJ-WCBMZHEXSA-N 195.262 1.817 10 10 ADCE C[C@H](O)C[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1934011867 BKNVDWXHQLMCLN-VGMNWLOBSA-N 198.270 1.530 10 10 ADCE CO[C@@H]1CCCN(CCN=[N+]=[N-])[C@H]1C 1934292362 RCBQRLBCDLTOEI-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CC[C@H]2C1=O 1935424626 OORGXDVQGHIKEK-JGVFFNPUSA-N 194.238 1.555 10 10 ADCE CC(C)(CN)N=[N+]=[N-] 1953129364 FTXLHAOMJQONIE-UHFFFAOYSA-N 114.152 1.034 10 10 ADCE CCCNC[C@H](C)CN=[N+]=[N-] 1953294421 AMTYUQRMSCHINO-ZETCQYMHSA-N 156.233 1.932 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H](O)C1 42470448 FULYIMKOONQTQJ-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE C[C@@H]1C[C@@H]1NCc1ccc(O)cc1O 52271456 MLZJUBBKSAROSP-XCBNKYQSSA-N 193.246 1.596 10 10 ADCE C[C@@H]1C[C@@]1(CN)c1ccc(O)c(O)c1 75120857 AJXKSOMNWZVVIJ-HQJQHLMTSA-N 193.246 1.334 10 10 ADCE CCCc1cc(O)c(O)cc1O 139670751 GRHJHXYLBCLEGK-UHFFFAOYSA-N 168.192 1.756 10 10 ADCE CC(=O)C(=O)C(C)(C)Cl 146348864 QXEPSGKTHZVASJ-UHFFFAOYSA-N 148.589 1.162 10 10 ADCE C[C@@H](F)[C@H](N)c1ccccc1O 212380313 YDZJADWIPZQQMO-MUWHJKNJSA-N 169.199 1.750 10 10 ADCE CCCCC[C@@H](N=[N+]=[N-])[C@H](O)CO 220713685 CARUOWMYBHPAEK-HTQZYQBOSA-N 187.243 1.599 10 10 ADCE CCC[C@H](CO)N=[N+]=[N-] 238230070 PYCYATSNYNMIHK-RXMQYKEDSA-N 129.163 1.458 10 10 ADCE CCc1nn[nH]c1[C@@H](C)N=[N+]=[N-] 238289499 ZZKREQICAQXESX-SCSAIBSYSA-N 166.188 1.738 10 10 ADCE C[C@@H]1C[C@@H](c2cccc(O)c2O)CN1 238471413 VOLIBURRFVCJRE-HTQZYQBOSA-N 193.246 1.563 10 10 ADCE CO[C@@H]1C[C@H](N=[N+]=[N-])C[C@](C)(CO)C1 307180642 OPBXOJCMFZOFPE-YIZRAAEISA-N 199.254 1.863 10 10 ADCE Cc1ccc(N=NC(=S)NN)cc1 307987165 TXXWAAJZVKHXKR-UHFFFAOYSA-N 194.263 1.827 10 10 ADCE COc1ccccc1NC[C@@H](O)CF 386310554 WTODXOHTLQGWIK-QMMMGPOBSA-N 199.225 1.438 10 10 ADCE CN(C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403621700 BZCVKVVTAVZNIE-SSDOTTSWSA-N 197.242 1.443 10 10 ADCE COCC1(N(C)CCN=[N+]=[N-])CC1 707116532 JNKDUIBCKHJXLE-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE N[C@@H]1CC(=O)c2c(Cl)ccc(O)c21 713759069 CFMJFCOMYIOIEQ-RXMQYKEDSA-N 197.621 1.632 10 10 ADCE CC[C@H](C)OC(=O)N1CC(N=[N+]=[N-])C1 1912163178 GIJJGODDWYPWJT-LURJTMIESA-N 198.226 1.916 10 10 ADCE [N-]=[N+]=NC1CCN([C@@H]2CC[C@@H]2O)CC1 1912184202 XINHHNRHTQPRBZ-BDAKNGLRSA-N 196.254 1.284 10 10 ADCE C[C@H]1C[C@@](N)(c2ccccc2O)CO1 1928467980 RAGKKEGYDPSESW-KWQFWETISA-N 193.246 1.355 10 10 ADCE CC(=O)C(=O)c1ccc(O)cc1C 1951522619 XPOGGKKGGVFYME-UHFFFAOYSA-N 178.187 1.472 10 10 ADCE C[C@@]1(c2ccccc2O)CC(=O)N1 1951975632 SPFQSBQIRPFCJD-JTQLQIEISA-N 177.203 1.127 10 10 ADCE CC(=O)C(=O)[C@@H]1CCSC1(C)C 1952630432 JYGWRRHLJISHAE-ZETCQYMHSA-N 186.276 1.676 10 10 ADCE Oc1ccc([C@@H](O)C(F)F)cc1O 87687753 JTIKNJRZJCCKNA-SSDOTTSWSA-N 190.145 1.396 10 10 ADCE O=C1N[C@@H](c2ccc(F)cc2O)CO1 95689374 MXEPNFKEDGRRGO-SSDOTTSWSA-N 197.165 1.312 10 10 ADCE Nc1ccc(NCC2(CO)CC2)cc1 168801701 SVVURJYEEHAZSB-UHFFFAOYSA-N 192.262 1.453 10 10 ADCE c1ccc2c(c1)NCCOCCN2 196781558 XRXJXJVVDXVRHX-UHFFFAOYSA-N 178.235 1.541 10 10 ADCE Nc1ccc(Nc2cnccn2)nc1 211400446 FPLFTLPMZXPVHU-UHFFFAOYSA-N 187.206 1.197 10 10 ADCE C[C@@H](N)c1ccc2ncoc2c1O 214176798 UDUSGFXKQDHRMW-RXMQYKEDSA-N 178.191 1.553 10 10 ADCE COc1c(F)ccc(C2(N)CC2)c1O 214872721 XKMWADIRHDGYAU-UHFFFAOYSA-N 197.209 1.488 10 10 ADCE 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C[C@@H](O)c1cccc(O)c1O 116129628 NDDFBEOUDFSIHZ-RXMQYKEDSA-N 154.165 1.151 10 10 ADCE CC[C@@H](C)C(=O)CN=[N+]=[N-] 130740403 SMHGVASMVHGPLF-RXMQYKEDSA-N 141.174 1.912 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCOC1 133539239 QSWOAYPOKGBPAR-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE C[C@H]1OCC[C@H]1N(C)CCCN=[N+]=[N-] 134751509 CFVIHQMWHNIRCK-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE COc1cc(C)c(O)c(O)c1 148569147 YFMHMOQIRUEUHN-UHFFFAOYSA-N 154.165 1.415 10 10 ADCE C[C@@H]1CC[C@H](O)[C@@H](N=[N+]=[N-])C1 227241389 RJCPAJQFVLTSMK-VQVTYTSYSA-N 155.201 1.846 10 10 ADCE CC(C)C[C@@H](N=[N+]=[N-])[C@H](O)C(=O)O 238142198 XZVGNIUOOKCFDI-RITPCOANSA-N 187.199 1.157 10 10 ADCE [N-]=[N+]=NC[C@@H]1COc2cnccc21 238592191 CFENGZASFLIDGJ-ZCFIWIBFSA-N 176.179 1.868 10 10 ADCE N[C@H]1CCOc2cc(F)cc(O)c21 238603082 AFSFHCDELUDGNG-LURJTMIESA-N 183.182 1.314 10 10 ADCE CC(C)(N)Cc1cc(O)c(O)c(F)c1 258165636 PSOWMKMJQUQBFO-UHFFFAOYSA-N 199.225 1.517 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])[C@H]1CO 299915800 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ADCE C[C@@]1(c2cc(O)ccc2O)CCN1 1952211679 DJABKNYHHWAMPY-JTQLQIEISA-N 179.219 1.306 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC2(CC2)[C@@H]1O 1953329037 RYEIPWASSZKSCF-PHDIDXHHSA-N 153.185 1.600 10 10 ADCE CCn1ccnc1C=C1CC[C@@H]1CN 1957267306 PZVPOXWJZOZFHR-SNVBAGLBSA-N 191.278 1.655 10 10 ADCE C[C@H](CF)N(C)c1ccc(CO)cc1 2241705085 FCJWOOAMAVFOQH-SECBINFHSA-N 197.253 1.973 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)CCCC1=O 42416123 WJOVZBNZURVGRQ-UHFFFAOYSA-N 196.210 1.226 10 10 ADCE CC1(C)Cc2ccc(CN)c(O)c2O1 82636984 IIKLSRYRBWWPGJ-UHFFFAOYSA-N 193.246 1.564 10 10 ADCE COc1ccc([C@@H](C)N(C)O)c(O)c1 96866390 TWVZTMLQYHTADI-SSDOTTSWSA-N 197.234 1.783 10 10 ADCE CC(C)COC(=O)[C@@H](C)N=[N+]=[N-] 108412500 RMMXJTXGKHAJCJ-ZCFIWIBFSA-N 171.200 1.884 10 10 ADCE CC1(C)CCCC(=O)C1=O 129193402 KOXRDFRLVKJDKZ-UHFFFAOYSA-N 140.182 1.335 10 10 ADCE O=C1C[C@@H]2CCCC[C@H]2C1=O 141744996 VYSBGFRPFIPZJT-NKWVEPMBSA-N 152.193 1.335 10 10 ADCE C[C@H](O)C[C@H](C)Nc1ccc(N)cc1 164409782 NUOIJQLIHNYYCP-IUCAKERBSA-N 194.278 1.840 10 10 ADCE Cc1cc(N)c(O)c(C2(N)CCC2)c1 238471403 JXPJTOUTENMMFF-UHFFFAOYSA-N 192.262 1.621 10 10 ADCE NC1(Cc2ccc(O)c(O)c2F)CC1 258176671 WHYUUHNYASKTBH-UHFFFAOYSA-N 197.209 1.271 10 10 ADCE CC[C@@H]1C[C@H](N=[N+]=[N-])CN1 306363651 YVXFQBZLJNHTHS-RITPCOANSA-N 140.190 1.437 10 10 ADCE C[C@H]1CC[C@H](O)CN1CCN=[N+]=[N-] 306730665 FKGDYRZSLOUIIW-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE OCc1csc2cc(O)c(O)cc12 307427536 GYONNQVSWUHGKG-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CCON[C@@H]1CCc2cccc(O)c21 307717094 LYWPJDAMILSYRA-SECBINFHSA-N 193.246 1.921 10 10 ADCE CC(=O)CN=Nc1nccs1 382742197 QNAMMWBWYWNIDF-UHFFFAOYSA-N 169.209 1.816 10 10 ADCE C/C=C\C(=O)N(C)c1ccc(N)cc1 702066352 WHTJHJPINZGJHY-ARJAWSKDSA-N 190.246 1.808 10 10 ADCE Nc1ccc(N2C[C@@H](F)[C@H](F)C2)cc1 714706897 IOYZHALUBHHRTO-NXEZZACHSA-N 198.216 1.765 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@@]12CCC[C@@H]1OCC2 1615847207 HUBHCMDZZDYGSU-VGMNWLOBSA-N 197.238 1.617 10 10 ADCE C[C@H]1C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1883866233 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[N-]=[N+]=N[C@@H]1CCC[C@H]2CC(=O)N[C@H]21 306162020 HIGQHBSGPMSULE-SHYZEUOFSA-N 180.211 1.354 10 10 ADCE CC(=O)O[C@@H]1[C@H](O)CCC[C@H]1N=[N+]=[N-] 306209607 BPLLFKUKJPRMCU-PRJMDXOYSA-N 199.210 1.142 10 10 ADCE CC[C@H](O)[C@@H](N)c1ccccc1O 306765952 WGARFOZVSNDZSL-WPRPVWTQSA-N 181.235 1.163 10 10 ADCE C[C@@H](N)CCNCc1ccccc1O 841035680 LVUIANFTSAZRET-SECBINFHSA-N 194.278 1.219 10 10 ADCE CNC1(c2cc(F)cc(F)c2O)CC1 1535813364 HXTMZETYYNNEHI-UHFFFAOYSA-N 199.200 1.879 10 10 ADCE Cc1oncc1CCN=[N+]=[N-] 1535879739 PVNGXEZTOGXWLP-UHFFFAOYSA-N 152.157 1.836 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1C[C@@H]1OC 1887716793 CAZXAKQFZSCEMS-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE C[C@H]1C[C@@H](O)CN1CCCCN=[N+]=[N-] 1912176049 UHZDPJQWYFOXNO-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CC(=O)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 1951322631 PMLOKLUGTVTEKA-CIUDSAMLSA-N 166.220 1.581 10 10 ADCE CC[C@@H](C)NCc1ccc(O)cc1O 19881989 OKAYCZWERQYVGB-MRVPVSSYSA-N 195.262 1.986 10 10 ADCE O=Cc1c(F)cc(O)c(O)c1F 32220101 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ADCE Cc1cc(O)c(CN)c(Cl)c1 214015950 IJJUBLWLMHNJSM-UHFFFAOYSA-N 171.627 1.813 10 10 ADCE Cc1cc(O)c([C@@H](N)[C@@H](C)O)cc1C 238452588 CBEMYPFWWLODHL-KCJUWKMLSA-N 195.262 1.390 10 10 ADCE CCN[C@@H](CN)c1ccccc1O 257903793 PHVDUAWWPJOGML-VIFPVBQESA-N 180.251 1.002 10 10 ADCE NC1(c2cc(O)c(F)cc2O)CCC1 257970954 CTAAPYURIJWCCI-UHFFFAOYSA-N 197.209 1.575 10 10 ADCE CC1(O)CC(N)(c2ccccc2O)C1 259869490 XSDPLMWIARSBRO-UHFFFAOYSA-N 193.246 1.091 10 10 ADCE CC(C)[S@](=O)N=[N+]=[N-] 306753197 OSKALLMSHCBRAZ-QMMMGPOBSA-N 133.176 1.369 10 10 ADCE CC(=O)OC/C=C\CN=[N+]=[N-] 383686409 NMOVSFIKPPNFKR-IHWYPQMZSA-N 155.157 1.416 10 10 ADCE [N-]=[N+]=NCCc1cnoc1 718927865 HNYNCBJKCVAKET-UHFFFAOYSA-N 138.130 1.527 10 10 ADCE [N-]=[N+]=NC[C@H]1CCN(C(=O)C2CC2)C1 885684630 XXLJAFOPMHYEAR-SSDOTTSWSA-N 194.238 1.555 10 10 ADCE COc1cncc([C@@H](CO)N=[N+]=[N-])c1 1535712950 FELZLAPQMQLXPB-MRVPVSSYSA-N 194.194 1.434 10 10 ADCE [N-]=[N+]=NC[C@H]1COCCC1(F)F 1775955490 YJYVENPSGVEKDR-YFKPBYRVSA-N 177.154 1.969 10 10 ADCE 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178.235 1.180 10 10 ADCE Cn1cnc(Nc2ccc(N)cc2)c1 953079196 OVTZTVLZVCUCCF-UHFFFAOYSA-N 188.234 1.746 10 10 ADCE CC[C@@H](CN)CN=[N+]=[N-] 1912148042 OIKHPPJAXDZIAS-YFKPBYRVSA-N 128.179 1.282 10 10 ADCE CCOC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912160380 VGMZSGCLMUTABK-LURJTMIESA-N 184.199 1.528 10 10 ADCE CC(C)(CO)CN1CC[C@H](N=[N+]=[N-])C1 1912183051 KKSFVICCORBLJP-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE CC1(C)CCNC[C@@H]1CN=[N+]=[N-] 1912206698 UMMJTRHLISWXMD-SSDOTTSWSA-N 168.244 1.932 10 10 ADCE CC(=O)C(=O)[C@H]1CCCSC1 1952842781 KGJWBRHAWQIZFC-ZETCQYMHSA-N 172.249 1.288 10 10 ADCE CC(=O)NCC1(CN=[N+]=[N-])CC1 1953752934 IPLZRBCKMDFLGO-UHFFFAOYSA-N 168.200 1.213 10 10 ADCE CN(C)c1ccc([C@@H]2C=CCN2)cc1 1955943016 HMOMXUJDDUICHW-LBPRGKRZSA-N 188.274 1.953 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCC[C@H](N)C1 1957247958 YVRXGMKABBSBNL-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE CN(C)C[C@@H]1C=CCN1CCN=[N+]=[N-] 2210014735 UXCZIWSKYMBWCQ-VIFPVBQESA-N 195.270 1.099 10 10 ADCE Oc1ccc(Cl)c(O)c1O 3172380 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10 10 ADCE C[C@H](O)CN(CCN=[N+]=[N-])C1CCC1 2242075965 PKZJGZZLKRSWPR-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE O=C1CCC=CCCC1=O 137616132 BSVYUYLJHHQXHD-UHFFFAOYSA-N 138.166 1.255 10 10 ADCE CCOC(=O)/C(=C/O)C1CC1 138565406 BNWAIILRABFNGR-FNORWQNLSA-N 156.181 1.401 10 10 ADCE CCC[C@H](N)c1cc(CN)ccc1O 211727433 LAHVEDTUKUKMCG-JTQLQIEISA-N 194.278 1.651 10 10 ADCE CC(=O)OC(C)(C)CN=[N+]=[N-] 238131977 CJDQWYSBZLPYEH-UHFFFAOYSA-N 157.173 1.638 10 10 ADCE CC(=O)OC[C@@H]1OCC=C[C@H]1N=[N+]=[N-] 238159810 JZKSAACHSLYFQF-SFYZADRCSA-N 197.194 1.183 10 10 ADCE Cc1cc(O)c([C@H]2CCN2)cc1F 238490649 BBMJPNYJIPQXJE-SECBINFHSA-N 181.210 1.874 10 10 ADCE Cc1cc(C)c([C@@](C)(N)CO)c(O)c1 238546741 KCSPWYONKMOTFN-NSHDSACASA-N 195.262 1.175 10 10 ADCE CN1CC[C@@H](N)[C@H]1c1ccccc1O 250560161 CGNVQOHCXXCWSV-MWLCHTKSSA-N 192.262 1.096 10 10 ADCE COc1ccc(C(C)(C)N)c(O)c1C 258168034 VQCMTHFSBTUSRM-UHFFFAOYSA-N 195.262 1.903 10 10 ADCE CNC[C@H]1CN1c1ccc(OC)cc1 259141644 BDOHONSXFDRPIM-NKUHCKNESA-N 192.262 1.103 10 10 ADCE [N-]=[N+]=Cc1cc(=O)c2ccccc2o1 306836412 SYZYOLXARZHLME-UHFFFAOYSA-N 186.170 1.442 10 10 ADCE CC[C@H](Nc1ccc(N)cc1)[C@H](C)O 307587012 RRWIXMYKEGICCX-KWQFWETISA-N 194.278 1.840 10 10 ADCE OC/C=C/c1cccc(O)c1O 1535735597 OXPNMGJGEUNBPO-DUXPYHPUSA-N 166.176 1.103 10 10 ADCE C[C@@H](CO)Cc1ccc(O)c(O)c1 1882086862 FNHCOPUHPKHYIT-SSDOTTSWSA-N 182.219 1.269 10 10 ADCE CC(C)NCCC=Cc1nccn1C 1911553982 BTNGHDUYZJQPEO-UHFFFAOYSA-N 193.294 1.821 10 10 ADCE CCCCOCCN1CC(N=[N+]=[N-])C1 1912208558 VBFDVZYZOQZZBN-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H]1CN 1954206142 BOOMOZGVKCGOCZ-QMMMGPOBSA-N 183.259 1.110 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@@H](N)CC1 1957243122 CMSJCYQFTKPNPV-SECBINFHSA-N 197.286 1.500 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1CCCNC1 1957246563 CFIQHLRFRXTQNC-VIFPVBQESA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCCN1CCCCC[C@@H](N)C1 1957247834 XICOSUFSJRIEJW-SECBINFHSA-N 197.286 1.500 10 10 ADCE CC[C@H]1[C@H](O)CCN1CCN=[N+]=[N-] 2242160524 QLHDQSIZHJACGU-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE COC[C@@H](C)CNc1ccc(N)cc1 45685599 DHGSZFDZOFROTK-VIFPVBQESA-N 194.278 1.963 10 10 ADCE N[C@H](CO)c1cc2ccoc2cc1O 107356332 IACDZKBIKICSOR-MRVPVSSYSA-N 193.202 1.131 10 10 ADCE CN(C)C1CN(c2ccc(N)cc2)C1 113279419 GPMQKWXGPNVWPB-UHFFFAOYSA-N 191.278 1.019 10 10 ADCE CC(C)OCC[C@H](O)N=[N+]=[N-] 238194822 NZKYTAPHBAUPCI-LURJTMIESA-N 159.189 1.430 10 10 ADCE CCOC(=O)[C@@](CC)(N=[N+]=[N-])C(C)=O 238797477 PAICBYWKGMAIBV-QMMMGPOBSA-N 199.210 1.598 10 10 ADCE Nc1ccc(NC(=O)NCCF)cc1 307676395 HFMPGPOZFVNKCB-UHFFFAOYSA-N 197.213 1.360 10 10 ADCE CC[C@H](C)CSCC(=O)C(C)=O 308050115 RQYWLEKIJUZCMD-ZETCQYMHSA-N 188.292 1.924 10 10 ADCE CC[C@H]1CN(CCCN=[N+]=[N-])C[C@H]1O 399893329 ZBWJFRYBZXVTFJ-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE C[C@@H]1C[C@H](O)CN(CCCN=[N+]=[N-])C1 401699218 MDKJHRYRGJBQAF-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE COc1cc(C)c2c(c1)[C@@H](O)CN2C 527413375 YUNNCWZYALOWIW-JTQLQIEISA-N 193.246 1.487 10 10 ADCE CC(C)(C)[C@@H](C[N+](=O)[O-])N=[N+]=[N-] 687811509 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197.621 1.815 10 10 ADCE O=c1ccoc2c(O)c(O)ccc12 115807935 WWGFXSLWIRYIBP-UHFFFAOYSA-N 178.143 1.204 10 10 ADCE N#C[C@]12[C@H]3C=C[C@@H](N=[N+]=[N-])[C@@H]1[C@H]32 140057974 IQSQETZUOGFQGS-BZCSJUTBSA-N 158.164 1.621 10 10 ADCE Cc1c(C(=O)O)cc(O)c(O)c1C 142891007 WJMOWVLKUCSQFZ-UHFFFAOYSA-N 182.175 1.413 10 10 ADCE CC(C)[C@H]1CC[C@@H](C)C(=O)C1=O 196486687 DIDQHWMZIHCWQH-HTQZYQBOSA-N 168.236 1.827 10 10 ADCE CC(=O)C(=O)[C@H]1CCC=C[C@H]1C 238400759 CNPHXCHBGOBPDG-APPZFPTMSA-N 166.220 1.747 10 10 ADCE [N-]=[N+]=N[C@H]1C=CC[C@@H]2O[C@H]12 238534084 LRWZXCJBWWNMLU-HCWXCVPCSA-N 137.142 1.393 10 10 ADCE O=C1CC[C@H](c2cc(O)ccc2O)N1 238728185 RPELYSAATZHCNK-MRVPVSSYSA-N 193.202 1.049 10 10 ADCE CCN1c2ccc(CN)cc2C[C@@H]1C 258104508 OCZAZHXVKYQSSM-VIFPVBQESA-N 190.290 1.916 10 10 ADCE Nc1sc2c(O)cccc2c1O 307029051 NNTHDKYDPDTOGH-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CN(C)N=Nc1ccsc1C(N)=O 388286300 JEKTZIPLXIBRFH-UHFFFAOYSA-N 198.251 1.407 10 10 ADCE Cc1ccc(O)c2c1C(=O)C[C@@H]2N 713753677 OCSDWJLUMZXOND-LURJTMIESA-N 177.203 1.287 10 10 ADCE [N-]=[N+]=NC[C@H]1NC[C@@H](C2CCC2)O1 885408851 VXJJKWHIOUINBS-YUMQZZPRSA-N 182.227 1.411 10 10 ADCE COc1cc([C@@H](CO)N=[N+]=[N-])on1 1535655682 MJGRLUPIMMTUJK-SCSAIBSYSA-N 184.155 1.027 10 10 ADCE CCN(CCCOC)CCN=[N+]=[N-] 1887717465 KUQAIHGWQPWQKW-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE CSC1CN(CCN=[N+]=[N-])C1 1912187487 HRAXDZNAKYWLDA-UHFFFAOYSA-N 172.257 1.344 10 10 ADCE Nc1ccc(CNc2ncco2)cc1 1930521955 IYQADRRTEVBFLG-UHFFFAOYSA-N 189.218 1.869 10 10 ADCE CC(=O)C(=O)c1ccn(CC(C)C)n1 1952206794 PGKUEXLCBGKLCH-UHFFFAOYSA-N 194.234 1.311 10 10 ADCE CNC1([C@@H](N)c2ccccc2O)CC1 1956189799 QXVUVMPRSQDLHV-JTQLQIEISA-N 192.262 1.144 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H](CCN)C1 1957242506 AZHQHBLRPFNNJL-SECBINFHSA-N 197.286 1.358 10 10 ADCE CC(C)(CN=[N+]=[N-])C(=O)N1CCCC1 2296600489 UUVTZQNBUFCFRZ-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE Oc1cc2cccc(O)c2cc1O 62718775 GBMMWPJEWMJGCK-UHFFFAOYSA-N 176.171 1.957 10 10 ADCE N#COc1ccc(N)cc1 80497312 HEWYCTJMQAFJCL-UHFFFAOYSA-N 134.138 1.129 10 10 ADCE NC1(c2cccc(F)c2O)CCC1 82873607 OXOIDVSQESEPGC-UHFFFAOYSA-N 181.210 1.869 10 10 ADCE CC[C@H](CN)c1ccc(O)c(O)c1 84336173 YMLUMBUQJMSFTM-SSDOTTSWSA-N 181.235 1.550 10 10 ADCE C[C@H]1CC(=S)C[C@@H](C)N1 211337035 NGVONNSGWJBWPU-OLQVQODUSA-N 143.255 1.517 10 10 ADCE COc1cccc2c1C(=O)C(=O)C2 223067268 TUAXLSBAXTYJOG-UHFFFAOYSA-N 176.171 1.003 10 10 ADCE C[C@H]1C[C@@H]1C(=O)NCCCCN=[N+]=[N-] 231733072 GNXNYXNTOQNZHO-YUMQZZPRSA-N 196.254 1.849 10 10 ADCE CC(=O)C(=O)[C@H]1CCC=C[C@@H]1C 238443586 CNPHXCHBGOBPDG-CBAPKCEASA-N 166.220 1.747 10 10 ADCE CO[C@H]1O[C@H]2CS[C@H]1[C@H]2N=[N+]=[N-] 306389286 QPMKBOUTQHGRKX-BXKVDMCESA-N 187.224 1.152 10 10 ADCE OCc1cc(O)c2scc(O)c2c1 307426381 FYWULUQCQGCSIQ-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE COC(C)(C)CN=[N+]=[N-] 307732299 LELBOSAJVXMXKW-UHFFFAOYSA-N 129.163 1.722 10 10 ADCE C[C@@H](CF)NCc1ccc(O)c(O)c1 308652585 LRHHJNSCMMBHMB-ZETCQYMHSA-N 199.225 1.545 10 10 ADCE N=CN=Nc1cc[nH]c1 382769592 GPBDSXIJDKXIHC-UHFFFAOYSA-N 122.131 1.705 10 10 ADCE N=c1ccccn1Cc1ccc(N)cc1 585846536 VXNCEXXBCNSIKR-UHFFFAOYSA-N 199.257 1.598 10 10 ADCE C[S@@](=O)N1CCC[C@@H]1CN=[N+]=[N-] 692825231 AVYBVVWDGYVWSF-SREIQFSDSA-N 188.256 1.055 10 10 ADCE CCC(=O)N1CCC[C@H](CN=[N+]=[N-])C1 885818628 HHBYRJDXPPBOHU-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE C[C@@H]1CNCCCN1CCCN=[N+]=[N-] 1905971885 GJVPOGUIJQNMML-SECBINFHSA-N 197.286 1.371 10 10 ADCE COc1ccc(N2CC(F)C2)c(N)c1 1916511881 YHLGSHZGEMUTDB-UHFFFAOYSA-N 196.225 1.436 10 10 ADCE C[C@@H](O)c1ccc(N2CC(F)C2)cc1 1916989030 YXARZARMEWXPNG-MRVPVSSYSA-N 195.237 1.898 10 10 ADCE CON(C)c1ccc([C@@H](C)N)c(O)c1 1928675286 MRXAGLCCTRQWJG-SSDOTTSWSA-N 196.250 1.410 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CC[C@@H]2C1=O 1935424627 OORGXDVQGHIKEK-SFYZADRCSA-N 194.238 1.555 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])[C@H](CN)C1 1957243853 INWIWTFXDOQCIX-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE NN[C@@H](c1c(O)cccc1F)C1CC1 2080480068 LRBKBBNYTRJUIF-SNVBAGLBSA-N 196.225 1.446 10 10 ADCE CCN(C)c1ccc(OC)cc1C=O 2209738483 ZLKHMWZOVXZVLN-UHFFFAOYSA-N 193.246 1.964 10 10 ADCE C[C@@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 42012158 JWAPXWKCKZJZEQ-PHDIDXHHSA-N 168.200 1.069 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])CCO1 42415758 NBKCHGOVAKVRAE-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE Cn1cncc1CN=[N+]=[N-] 85191620 VNRWKKXADBAATG-UHFFFAOYSA-N 137.146 1.230 10 10 ADCE CC(=O)[C@H](N)c1cc(C)ccc1O 104672635 ZFMFIKJEXLOYEG-JTQLQIEISA-N 179.219 1.289 10 10 ADCE N[C@@H]1CCc2cc(O)c(O)cc21 104674597 ILRFJKUKVNAEFA-SSDOTTSWSA-N 165.192 1.044 10 10 ADCE COC(=O)[C@H](C)c1cccc(O)c1O 144428879 JULWATUNPJIRCP-ZCFIWIBFSA-N 196.202 1.374 10 10 ADCE C/C=C\C(=O)Nc1ccc(N)cc1 213986851 CYOPGRYXWQHJKJ-IHWYPQMZSA-N 176.219 1.783 10 10 ADCE CC(C)C[C@H](N=[N+]=[N-])[C@H](O)C(=O)O 238194940 XZVGNIUOOKCFDI-WDSKDSINSA-N 187.199 1.157 10 10 ADCE CCN1C(=O)CC[C@H]1CN=[N+]=[N-] 238252042 RRGCLDNDSJGXBQ-LURJTMIESA-N 168.200 1.308 10 10 ADCE COc1ccc(N(C)CO)cc1 238361412 UEZZAXBOCZHGNI-UHFFFAOYSA-N 167.208 1.081 10 10 ADCE COc1ccc(N(C)[C@@H](C)CO)cc1 238361572 KIIDGPBKOFJHAI-VIFPVBQESA-N 195.262 1.512 10 10 ADCE Oc1cccc(O)c1[C@H]1CCCCN1 238725261 ANEOZOTWBSKWPZ-MRVPVSSYSA-N 193.246 1.912 10 10 ADCE O=C1CC[C@@H](c2ccc(O)c(O)c2)C1 238728525 PHDYLLUEQNILGO-SSDOTTSWSA-N 192.214 1.934 10 10 ADCE Cc1ccc(CCCCN)c(O)c1O 258095998 OGZKTQATLDUDHV-UHFFFAOYSA-N 195.262 1.688 10 10 ADCE Nc1ccc2sc(CO)c(O)c2c1 307007267 GMMMDCPDPHMBFK-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE [N-]=[N+]=NCCCO[C@H]1CCOC1 699906022 ZQQREDUXFDWWBA-ZETCQYMHSA-N 171.200 1.492 10 10 ADCE [N-]=[N+]=NCCCc1ncno1 700419402 MIDVEJHYERJAEF-UHFFFAOYSA-N 153.145 1.313 10 10 ADCE CC1(C)[C@@H](O)CN1CCCN=[N+]=[N-] 1883988459 YMNQHASPGLAEAT-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE C[C@@H]1CNC[C@@H]1Nc1ccccc1N 1888905055 JMWMLPBICRDPGI-KCJUWKMLSA-N 191.278 1.289 10 10 ADCE C[C@H](O)CN1CCC[C@H](N=[N+]=[N-])C1 1912143929 MELCQQIGBGZKJD-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE CC1(C)C[C@H](CO)N(CCN=[N+]=[N-])C1 1912147521 JZHABWQSIZZLMU-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE N[C@H]1CCc2cc(N3CCC3)ccc21 1951325193 ZWQCXLNGKXICBZ-LBPRGKRZSA-N 188.274 1.843 10 10 ADCE CN[C@H](c1ccccc1O)C1(N)CC1 1956178063 QMWWLCCRRLBQNW-SNVBAGLBSA-N 192.262 1.144 10 10 ADCE [N-]=[N+]=NCCCn1cc(N)ccc1=O 1956947520 UMXZFQAIFCKDDU-UHFFFAOYSA-N 193.210 1.131 10 10 ADCE CN(C#N)Cc1ccc(N(C)C)cc1 1957286209 ZESGHQQDPRAHHB-UHFFFAOYSA-N 189.262 1.665 10 10 ADCE CSc1cc(O)c(O)c(F)c1 2060126187 WAULWXQIULJCGD-UHFFFAOYSA-N 174.196 1.959 10 10 ADCE O=C1c2ccccc2C(=O)c2[nH]ccc21 39240492 HVLSGKFECFPHFW-UHFFFAOYSA-N 197.193 1.790 10 10 ADCE Cc1ccc(C(=O)C=[N+]=[N-])o1 84426552 IJZASIOHILQXNB-UHFFFAOYSA-N 150.137 1.071 10 10 ADCE C[C@H](Cc1ccc(O)c(O)c1)[N+](=O)[O-] 104375853 BGGUEQUJLQACGS-ZCFIWIBFSA-N 197.190 1.306 10 10 ADCE Oc1cccc(F)c1[C@@H]1CCN1 104526278 KVMKRDVQZWJCOQ-ZETCQYMHSA-N 167.183 1.566 10 10 ADCE Cc1nc(CSCCN)c(C)[nH]1 147295592 NHHVQVGXYLVKMF-UHFFFAOYSA-N 185.296 1.218 10 10 ADCE O=c1ccoc2ccc(O)c(O)c12 149323832 GLKJZRLLXBQWJY-UHFFFAOYSA-N 178.143 1.204 10 10 ADCE C[C@@H](O)Cc1cccc(O)c1O 149622440 XHFTUEUYCQGDGX-ZCFIWIBFSA-N 168.192 1.021 10 10 ADCE N=NC(=O)c1nccs1 224823928 OBCIYIODGTUHQF-UHFFFAOYSA-N 141.155 1.314 10 10 ADCE COc1cc(CNO)c(O)cc1C 258018999 HYEUSMAQQFUVFD-UHFFFAOYSA-N 183.207 1.188 10 10 ADCE CO[C@@]1(C)CCN(CCN=[N+]=[N-])C1 379345356 CGFHPZPIFOVCEU-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE CC(C)(C)C(=O)OCNN=N 397088023 ITMMDJKGHIFKQX-UHFFFAOYSA-N 159.189 1.069 10 10 ADCE C[C@H](C(=O)NCCN=[N+]=[N-])C1CCC1 692736443 ONUJBQHMOYBUTH-ZETCQYMHSA-N 196.254 1.849 10 10 ADCE COCC12CC(CN=[N+]=[N-])(CO1)C2 1884195057 CWTBSKHECPZMPY-UHFFFAOYSA-N 183.211 1.492 10 10 ADCE CC1(COc2ccc(N)cc2)CNC1 1896267992 AANLQPGGHLCGQU-UHFFFAOYSA-N 192.262 1.257 10 10 ADCE COC[C@@]1(C)CCCN1CCN=[N+]=[N-] 1904225851 WWVWUEHACFBGRY-SECBINFHSA-N 198.270 1.798 10 10 ADCE CNc1ccnc(CN=[N+]=[N-])c1 1953643159 ACFDSHHXVWPESC-UHFFFAOYSA-N 163.184 1.934 10 10 ADCE CC(=O)NCCCc1ccc(N)cc1 3199149 SVMSVVCKKSKZQV-UHFFFAOYSA-N 192.262 1.338 10 10 ADCE CCOc1cc(O)c(O)cc1C(=O)O 14775667 YPZCRKPXYSWLJF-UHFFFAOYSA-N 198.174 1.195 10 10 ADCE C[C@@H](N)c1ccc(N(C)C)cc1F 75845026 AGUNSZSJXBHPTA-SSDOTTSWSA-N 182.242 1.911 10 10 ADCE N[C@@H](c1cccc(F)c1O)C1CC1 95663289 BQGWPJWJCNBMMD-SECBINFHSA-N 181.210 1.941 10 10 ADCE CCONCc1ccc(OC)cc1O 134244430 WZRBZSCNEDTDPM-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE CN(C)Cc1ccc(N)cc1O 139799860 DHAMCTOWKNKRRU-UHFFFAOYSA-N 166.224 1.036 10 10 ADCE CC(C)NCC/C=C\c1nccn1C 211471041 BTNGHDUYZJQPEO-XQRVVYSFSA-N 193.294 1.821 10 10 ADCE C[C@H]1NCc2c(O)cccc21 219202136 XVJUZMYOMXKTOK-ZCFIWIBFSA-N 149.193 1.556 10 10 ADCE C[C@@]1(F)CNCc2c(O)cccc21 219586605 OYXBGXCWMHDJMK-SNVBAGLBSA-N 181.210 1.680 10 10 ADCE Cc1ccc(CNC(=O)CN=[N+]=[N-])o1 229005519 ATAIOSHLCJREFU-UHFFFAOYSA-N 194.194 1.515 10 10 ADCE CC(=O)N1CCCC[C@@H]1N=[N+]=[N-] 238044141 SCCKUJXTZRQJOS-SSDOTTSWSA-N 168.200 1.655 10 10 ADCE Cc1cc(O)c([C@H](N)[C@H](C)O)cc1C 238461137 CBEMYPFWWLODHL-GZMMTYOYSA-N 195.262 1.390 10 10 ADCE Nc1nc(-c2ccc(O)c(O)c2)co1 259696237 KAIZCNXQWXRRMN-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE C[C@@]12CC[C@@H](C(=O)C1=O)[C@]2(C)CF 306863628 KHUFCPKPXLUBDJ-QUNWWBBNSA-N 184.210 1.530 10 10 ADCE C[C@@H]1O[C@@H](CN=[N+]=[N-])[C@@H](CN=[N+]=[N-])O1 388971500 XYDTVQSGPGPPSI-FPFOFBBKSA-N 198.186 1.737 10 10 ADCE CC1=C=C([C@H](O)CNN=N)C#S1 642829872 ZXJGANKPTQBGRN-SSDOTTSWSA-N 183.236 1.018 10 10 ADCE C[C@@H](O)/C=C\CN=[N+]=[N-] 687756410 WNFLKTLHFZBXAS-RLUJCOFPSA-N 127.147 1.234 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C[C@@H](C)O1 694895571 ZSDFFXOLOXZOLF-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE Nc1ccc(C[C@@H](O)CC2CC2)cc1 696526831 MCYYKLQLQYYRLA-LBPRGKRZSA-N 191.274 1.972 10 10 ADCE Nc1ccccc1N[C@@H]1[C@H]2CCO[C@H]21 1884451631 KAJDNFHIRSUXDZ-AVPPRXQKSA-N 190.246 1.468 10 10 ADCE C[C@@H]1[C@@H](O)CCN(CCN=[N+]=[N-])[C@@H]1C 1892778053 VWOACQHAJZRLTJ-YIZRAAEISA-N 198.270 1.388 10 10 ADCE Cc1cnn(C)c1[C@H](O)CN=[N+]=[N-] 1912195308 DYXGQCYWGIJENR-ZCFIWIBFSA-N 181.199 1.072 10 10 ADCE COC[C@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912205588 PODIXDXLPCAKSP-JGVFFNPUSA-N 184.243 1.406 10 10 ADCE O=C1C[C@@H]2CCCCC[C@H]2C1=O 1932856114 XTRZRGFWPBPFQC-JGVFFNPUSA-N 166.220 1.725 10 10 ADCE O=C(S)c1ccc(O)c(O)c1 1951473936 SXHRBVBKZZCTNT-UHFFFAOYSA-N 170.189 1.168 10 10 ADCE COc1cccc([C@@]2(N)C[C@@H]2C)c1O 1951733805 PYHLVFKZVWCOGQ-WRWORJQWSA-N 193.246 1.595 10 10 ADCE CN[C@@H](COC)c1cc(F)ccc1O 1951867950 LTYMQBSFYXGCQD-VIFPVBQESA-N 199.225 1.438 10 10 ADCE Cc1cccc([C@@H](N)C2(O)CC2)c1O 1952421514 NXDZNPIFELWSMC-SNVBAGLBSA-N 193.246 1.225 10 10 ADCE Oc1ccc([C@@H]2C[C@H](F)CN2)c(O)c1 1952879527 VZRAILAZOFTQNG-RCOVLWMOSA-N 197.209 1.470 10 10 ADCE CCN(CC)Cc1cccc(O)c1O 34484730 FXKXSAPHBPPPBZ-UHFFFAOYSA-N 195.262 1.940 10 10 ADCE CC(C)[C@H](N)c1cc(O)c(O)c(O)c1 95685127 FJNKYLLVNNWEKO-VIFPVBQESA-N 197.234 1.459 10 10 ADCE C[C@@](N)(CCO)c1cc(F)ccc1O 95747749 TZVFQTJTKSGGFW-SNVBAGLBSA-N 199.225 1.088 10 10 ADCE C[C@@H](N)c1cccc(C(=O)O)c1O 104452646 JFSHBFZZORKPMV-RXMQYKEDSA-N 181.191 1.110 10 10 ADCE [N-]=[N+]=NCC(=O)[C@@H](O)c1ccccc1 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[N-]=[N+]=N[C@H]1C(=O)N[C@@H]1c1ccccc1 136554366 INUNOMSWEWVFHI-HTQZYQBOSA-N 188.190 1.536 10 10 ADCE CC(=O)c1cc(C)cc(O)c1O 145114617 IXNYSWBGJBJMRB-UHFFFAOYSA-N 166.176 1.609 10 10 ADCE CC(=S)COCNC/C=C/F 164331550 BQYVEELITDYCKH-NSCUHMNNSA-N 177.244 1.423 10 10 ADCE Cc1cccc(CN=O)c1O 199339387 FJCIIPBYPIIYGR-UHFFFAOYSA-N 151.165 1.967 10 10 ADCE CCC[C@H](N)c1c(F)ccc(N)c1O 211732949 UNQSMMLSPFCJSQ-ZETCQYMHSA-N 198.241 1.913 10 10 ADCE CC(=O)O[C@@H]1C=C[C@H](N=[N+]=[N-])CC1 238096235 NYEKKGWNQMUDIP-JGVFFNPUSA-N 181.195 1.947 10 10 ADCE CN[C@@H](C)c1ccc(F)c(F)c1O 238330205 QHEFLFUXRWRAAM-YFKPBYRVSA-N 187.189 1.951 10 10 ADCE Cc1cc(O)c(C)c([C@@H](C)N)c1O 238412826 PQHKLQZEKNPGFD-SSDOTTSWSA-N 181.235 1.734 10 10 ADCE C[C@H](N)c1cc(Cl)cc(O)c1O 238418300 JRPNSBJRDVOUME-BYPYZUCNSA-N 187.626 1.771 10 10 ADCE C[C@]12CCCC[C@@H]1CC(=O)C2=O 238509028 WJIRHNVURXUYTR-XCBNKYQSSA-N 166.220 1.725 10 10 ADCE Cc1cccc([C@@H](N)CCN)c1O 306880100 FTBKGRXIRATNKH-VIFPVBQESA-N 180.251 1.049 10 10 ADCE 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CN[C@H]1CCN(C(C)C)[C@@H]1CN=[N+]=[N-] 712089889 PKXDDQGRGNVTDK-DTWKUNHWSA-N 197.286 1.367 10 10 ADCE Oc1ccccc1CNC[C@H]1C[C@H]1F 1887445270 TYIFNJVDWYMXRD-NXEZZACHSA-N 195.237 1.840 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CC(C)(C)O1 1888013881 KYOOBRWHQCFCKQ-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE Nc1ccc(CC[C@@H]2CCO2)cc1 1888429630 SKTQSIHONZDNCU-LLVKDONJSA-N 177.247 1.990 10 10 ADCE [N-]=[N+]=NCc1ncnc2c1OCCO2 1891622591 ANHZDUMSPPCYLY-UHFFFAOYSA-N 193.166 1.058 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2COCC[C@H]2O1 1912148777 XMABTBACZWTPAH-BIIVOSGPSA-N 183.211 1.491 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@@H](C(F)(F)F)CO1 1912189685 XWEUWDIKOLOTFU-QWWZWVQMSA-N 196.132 1.174 10 10 ADCE COc1cccc([C@@]2(N)C[C@H]2C)c1O 1951733804 PYHLVFKZVWCOGQ-RDDDGLTNSA-N 193.246 1.595 10 10 ADCE C[C@H]1CN[C@H](C)CN1CCCN=[N+]=[N-] 1957248556 CUTCLBFTOSDJQH-BDAKNGLRSA-N 197.286 1.369 10 10 ADCE C[C@H]1C[C@@H](N)CCN1CCCN=[N+]=[N-] 1957251076 XCKKFVNEDXWFAL-IUCAKERBSA-N 197.286 1.498 10 10 ADCE NCc1sc(C2CCC2)c(N)c1O 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258073232 MLZYGJJDFLUWTA-UHFFFAOYSA-N 188.274 1.988 10 10 ADCE COC(=O)/C(=C\O)c1ccncc1 308153979 LGNBYDPTKMVAOE-VURMDHGXSA-N 179.175 1.154 10 10 ADCE CCN(CCN=[N+]=[N-])C(C)(C)CO 691074848 QAWXNHISGJDCPN-UHFFFAOYSA-N 186.259 1.390 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCCN(C=O)C1 885408672 RHMHISAKDJVSPC-MRVPVSSYSA-N 182.227 1.555 10 10 ADCE Cc1nn(C)cc1[C@@H](CO)N=[N+]=[N-] 1535736367 HCCBRXQGTZGEGV-SSDOTTSWSA-N 181.199 1.072 10 10 ADCE CC[C@H](C)[C@@H]1CO[C@H](CN=[N+]=[N-])N1 1883970292 SLQXYTPAZHLCDQ-BIIVOSGPSA-N 184.243 1.657 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CCCCO)C1 1912163587 LJNFZNVBRYNLIN-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE CCCOc1ccc(O)c(CN)c1 71455146 JVFNGSVECIEPAK-UHFFFAOYSA-N 181.235 1.640 10 10 ADCE [N-]=[N+]=NCCSc1ccncn1 82535851 DAXNRVKJIZUBMZ-UHFFFAOYSA-N 181.224 1.879 10 10 ADCE Oc1ccccc1[C@@H]1NC[C@H]2C[C@@H]21 106083341 YGQWFVFDWYJKND-HDBBIHSSSA-N 175.231 1.673 10 10 ADCE CON[C@H](C)c1ccc(F)cc1O 134240191 QEXYLDOUXXGPCW-ZCFIWIBFSA-N 185.198 1.743 10 10 ADCE [N-]=[N+]=N/C=C/C=C/C(=O)O 205969742 CWXNFVAOUPNEPQ-ZPUQHVIOSA-N 139.114 1.451 10 10 ADCE NC1(c2cc(F)cc(F)c2O)CC1 214397734 INVSYTNARSIKJC-UHFFFAOYSA-N 185.173 1.618 10 10 ADCE [N-]=[N+]=N[C@H]1C=CC[C@@H]1C[N+](=O)[O-] 221887402 PCQGEFFATVLXPE-RITPCOANSA-N 168.156 1.518 10 10 ADCE CN(C)C(=S)N=[N+]=[N-] 238318237 OSHPILXATQSENI-UHFFFAOYSA-N 130.176 1.143 10 10 ADCE CN[C@@H](C)c1ccc([N+](=O)[O-])cc1O 238330833 GKLJHLIZRYKOBM-LURJTMIESA-N 196.206 1.581 10 10 ADCE COC[C@H]1OC=C[C@H](N=[N+]=[N-])[C@@H]1OC 238386352 MHXMETAYZIPXQC-RNJXMRFFSA-N 199.210 1.239 10 10 ADCE N[C@@H](c1ccc(O)c(O)c1)C(F)F 238641880 JEVKLZTZHVIUSR-ZETCQYMHSA-N 189.161 1.363 10 10 ADCE CCN[C@H]1CCOc2cccc(O)c21 257851172 OXMQYCXTWZTIRN-QMMMGPOBSA-N 193.246 1.825 10 10 ADCE Cc1ccc(N)c(O)c1[C@H](N)CF 306955974 QVXNYEKMDLATLS-SSDOTTSWSA-N 184.214 1.252 10 10 ADCE CN(CCN=[N+]=[N-])Cc1cnccn1 700041955 MIRDPFGNKQZWLH-UHFFFAOYSA-N 192.226 1.219 10 10 ADCE NCc1ccc(N2CC[C@H]3C[C@@H]32)cc1 707075634 RATKDNXNPMVZDZ-JQWIXIFHSA-N 188.274 1.744 10 10 ADCE CC[C@@H]1CN[C@H](CN=[N+]=[N-])O1 885255086 ASDZIAISPHWNMF-RITPCOANSA-N 156.189 1.021 10 10 ADCE CC(C)(C)c1nc#cc(NN=N)n1 885354743 XHLHAFZIKXSNPL-UHFFFAOYSA-N 177.211 1.732 10 10 ADCE Nc1ccc(OC[C@H]2C[C@H](O)C2)cc1 1218424582 OTRXGUPFJLYXSN-CZMCAQCFSA-N 193.246 1.419 10 10 ADCE CCn1ncnc1CCN=[N+]=[N-] 1535766163 LTLZVUIDNSOADY-UHFFFAOYSA-N 166.188 1.151 10 10 ADCE CO[C@H](C)CN1CCC[C@@H]1CN=[N+]=[N-] 1885286195 IRXTZAMZSYIINM-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CC1(C(=O)N2CC(N=[N+]=[N-])C2)CC1 1912178475 NGWKWRIISZUTFL-UHFFFAOYSA-N 180.211 1.308 10 10 ADCE CC[C@H]1CN[C@@H](CN=[N+]=[N-])OC1 1933534340 XQXNSUSZUSXSRU-NKWVEPMBSA-N 170.216 1.269 10 10 ADCE CC(=O)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 1951322632 PMLOKLUGTVTEKA-XHNCKOQMSA-N 166.220 1.581 10 10 ADCE Cc1nocc1CCN=[N+]=[N-] 1951475729 WDFTWQPFYNAOQT-UHFFFAOYSA-N 152.157 1.836 10 10 ADCE O=C1CCN[C@H]1c1c(O)cccc1F 1951846744 ZPDBFDBQDXYHJU-SNVBAGLBSA-N 195.193 1.135 10 10 ADCE O=[N+]([O-])c1cccc(O)c1[C@H]1CCN1 1952750812 FGTZTEJCLZBUPZ-ZCFIWIBFSA-N 194.190 1.335 10 10 ADCE CCNCCC=Cc1nc(C)cn1C 1954992190 DDXQUBIMPGLZAO-UHFFFAOYSA-N 193.294 1.741 10 10 ADCE COC[C@]1(C)C[C@@H]1CN=[N+]=[N-] 2241616207 RHPSHTXXNRHANV-RQJHMYQMSA-N 155.201 1.969 10 10 ADCE COCOCCc1ccc(N)cc1 34479700 ZMBPPBOEVSWNMK-UHFFFAOYSA-N 181.235 1.432 10 10 ADCE CCCCCC(=O)NCCN=[N+]=[N-] 42012620 WGOBYDURGSEGFO-UHFFFAOYSA-N 184.243 1.993 10 10 ADCE C/C=C/C(=O)NCCCN=[N+]=[N-] 42013024 TZJSGDYLLYYZGI-DUXPYHPUSA-N 168.200 1.379 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCOCO1 42391072 WEXPKWNOQUCUAO-YFKPBYRVSA-N 143.146 1.060 10 10 ADCE [N-]=[N+]=NC[C@H]1CCOCO1 42391076 WEXPKWNOQUCUAO-RXMQYKEDSA-N 143.146 1.060 10 10 ADCE N[C@H](CC1CC1)c1cccc(O)c1O 95660658 DKADOWPDJBMSSI-SECBINFHSA-N 193.246 1.898 10 10 ADCE CN(C)c1ccc2c(c1)C(=O)CO2 149659358 OECMAQVGQXRBHY-UHFFFAOYSA-N 177.203 1.328 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2C[C@H]1O 196356941 OUHZFBNDUIDHPG-NXEZZACHSA-N 189.218 1.825 10 10 ADCE CCOCN=[N+]=[N-] 221589379 VLDNREABYXJIMR-UHFFFAOYSA-N 101.109 1.291 10 10 ADCE CCCCNC(=O)OCCN=[N+]=[N-] 238230897 RUAJGOIXWJOXBS-UHFFFAOYSA-N 186.215 1.823 10 10 ADCE [N-]=[N+]=N[C@@H](CN)c1ccccc1 238805990 DRVYNJWZMULVCN-QMMMGPOBSA-N 162.196 1.997 10 10 ADCE O=C1O[C@@H]2CCCC[C@@H]2/C1=C\O 307945380 YTOLNTIVKNZDJG-BNJXCVJPSA-N 168.192 1.544 10 10 ADCE C[C@H]1[C@H](CO)CCN1CCCN=[N+]=[N-] 385707851 QOCALSUOJJGSQZ-IUCAKERBSA-N 198.270 1.390 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C(=O)O1 688531460 XFXZJWWZUDHVCM-YFKPBYRVSA-N 170.172 1.137 10 10 ADCE [N-]=[N+]=NCCOC[C@H]1CCCO1 693122598 PRHVMMUZPUFAHM-SSDOTTSWSA-N 171.200 1.492 10 10 ADCE CC(C)(O)[C@H]1CCCN1CCN=[N+]=[N-] 707546251 LHIXNRAZZOJWIW-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE COc1ncccc1[C@H](CO)N=[N+]=[N-] 1535869830 WQIPRNCAGBENSZ-ZETCQYMHSA-N 194.194 1.434 10 10 ADCE CC1(C)C[C@@H](N=[N+]=[N-])CN1 1880024714 VPRHCUROOGKSIE-RXMQYKEDSA-N 140.190 1.437 10 10 ADCE Oc1ccccc1CN[C@@H]1C[C@@H]1F 1882873570 BBKROBKDZGAAJC-DTWKUNHWSA-N 181.210 1.592 10 10 ADCE Nc1ccccc1N[C@H]1CC[C@@H]1N 1883133464 DXUZWNNAECEBRA-WPRPVWTQSA-N 177.251 1.170 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)CC(F)F 1883826870 RLNVQDIURIJRSE-UHFFFAOYSA-N 192.169 1.410 10 10 ADCE Nc1ccc(NCC2(N)CCC2)cc1 1888905658 RQSXRNNLGDESEF-UHFFFAOYSA-N 191.278 1.562 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC[C@H]2C[C@H]21 1891408399 VFQBGURFIJKOAI-NGZCFLSTSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=N[C@H]1CCN([C@@H]2CCSC2)C1 1912166527 YNQFCNKQDBIGEP-JGVFFNPUSA-N 198.295 1.877 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@@H](C)CC[C@@H]1C 1929138225 ZJIBXSNJJWYDLL-LAEOZQHASA-N 198.262 1.332 10 10 ADCE COCC[C@@H](N)c1ccc(O)cc1O 1951596355 HMOSEXSDYFRFSB-SECBINFHSA-N 197.234 1.134 10 10 ADCE [N-]=[N+]=NCCCN1CCCC[C@@H](N)C1 1957245550 YLEWNVDVWWPNGV-SECBINFHSA-N 197.286 1.500 10 10 ADCE OC1CN(c2ccc(OCF)cc2)C1 2242513160 JNTJZHVJLWGBMX-UHFFFAOYSA-N 197.209 1.173 10 10 ADCE CC1(C)OCCc2cc(O)c(O)cc21 13459394 OJBLPQSINZETOY-UHFFFAOYSA-N 194.230 1.906 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCC(=O)O1 39038251 GOCLKZIRKPPILW-RXMQYKEDSA-N 155.157 1.392 10 10 ADCE c1cc(-c2ccc3n2CCNC3)ccn1 82383703 OOLWALZBFOMSOA-UHFFFAOYSA-N 199.257 1.653 10 10 ADCE C[C@H](CO)NCc1cccc(F)c1O 135095449 ZMQJAVXGQFIHJQ-SSDOTTSWSA-N 199.225 1.002 10 10 ADCE C=C=C(CN)Cc1ccc(O)c(O)c1 139110280 MIUZBLDWIZMQBG-UHFFFAOYSA-N 191.230 1.310 10 10 ADCE N#Cc1ccc(C=[N+]=[N-])cc1 140178334 IRCZONILFAZELT-UHFFFAOYSA-N 143.149 1.207 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN(C=O)C1 147535986 SZKIEBFYOUZWKA-ZETCQYMHSA-N 168.200 1.165 10 10 ADCE CSc1ncc([C@H](C)O)s1 212640063 VTHOHPUVHKSIJL-BYPYZUCNSA-N 175.278 1.918 10 10 ADCE Nc1ccc(N2C[C@H]3C[C@H]3C2=O)cc1 213343336 PYPDORSLKLMUJR-GMSGAONNSA-N 188.230 1.252 10 10 ADCE CC[C@@H](N)c1c(O)cccc1CO 238269257 XERCHKZGKJVBQC-MRVPVSSYSA-N 181.235 1.294 10 10 ADCE COc1ccc(N=NC(N)=O)cc1 308015398 KURYWSCVMUYPFG-UHFFFAOYSA-N 179.179 1.858 10 10 ADCE Cc1c([C@@H](CO)N=[N+]=[N-])cnn1C 1535834029 VKKOKEJKLXCHMA-SSDOTTSWSA-N 181.199 1.072 10 10 ADCE [N-]=[N+]=NCCCOCCCO 1857780334 OVMNOKXWAMDXHB-UHFFFAOYSA-N 159.189 1.086 10 10 ADCE CO[C@H]1C[C@@H]1COc1ccc(N)cc1 1887303311 PKLYUYVGRZJSHH-KCJUWKMLSA-N 193.246 1.683 10 10 ADCE COCCC1CN(CCCN=[N+]=[N-])C1 1912145882 MJANZNBJFVYBDT-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE [N-]=[N+]=NC[C@H](O)C1(N)CCCCC1 1912159479 IHZZSIHUCIQOSG-ZETCQYMHSA-N 184.243 1.319 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN([C@@H]2CC[C@H]2O)C1 1912206508 GVFLFMMJLVPKIX-DJLDLDEBSA-N 196.254 1.284 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@@H]1CCC[C@@H](C)C1 1929221943 UIRPQVUCUOVRDM-BCMRRPTOSA-N 198.262 1.332 10 10 ADCE C[C@@]1(N)CCCN(CCN=[N+]=[N-])C1 1954207735 BBSJFVFIHBJVGB-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE Cc1cccc(N)c1N[C@H]1C[C@H]1CO 1955092242 VEUGIOQXOJYSJJ-WPRPVWTQSA-N 192.262 1.370 10 10 ADCE CCN(CCCCN=[N+]=[N-])C[C@@H](C)N 1957244488 PXBQOHYQFVFQPM-SECBINFHSA-N 199.302 1.746 10 10 ADCE [N-]=[N+]=NCCCCN1CCC12CNC2 1957247397 PTMLQPDLUABBPB-UHFFFAOYSA-N 195.270 1.125 10 10 ADCE NCc1sc(Cl)cc1O 2242102087 SRYLNCMXDBCDCB-UHFFFAOYSA-N 163.629 1.566 10 10 ADCE N[C@@H](c1ccccc1O)[C@@H]1C[C@@H]1CF 2297256842 RRPLEWXLVTXNQZ-ZOFUNIGCSA-N 195.237 1.998 10 10 ADCE CN(CC(F)F)c1ccc(N)cc1 37756113 ISPJIHZSTHNTST-UHFFFAOYSA-N 186.205 1.970 10 10 ADCE N#C/N=[N+](\[O-])c1ccccc1[N+](=O)[O-] 105359379 JBRFYKBZOOUUJZ-KTKRTIGZSA-N 192.134 1.670 10 10 ADCE C[Si]1(C)C[C@@H](N=[N+]=[N-])[C@@H](N)C1 196394479 SYRWRMVSYBWWMF-NTSWFWBYSA-N 170.292 1.715 10 10 ADCE [N-]=[N+]=N[C@H](c1cccs1)[C@@H](O)CO 218644686 JTDMMWFDLRADBF-FSPLSTOPSA-N 199.235 1.453 10 10 ADCE N[C@H]1CCc2cc(Cl)cc(O)c21 238626061 NFBRKFJDYVOKNS-ZETCQYMHSA-N 183.638 1.992 10 10 ADCE COc1c(F)ccc(C(C)(C)N)c1O 258099924 KIPPLDHDVYIFMO-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE COc1ccc(CNCO)cc1C 258881297 IBAABVBJPIOBPK-UHFFFAOYSA-N 181.235 1.043 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@@H]2CC(=O)N[C@H]21 306162017 HIGQHBSGPMSULE-ATRFCDNQSA-N 180.211 1.354 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2OCC[C@H]2C1 724814952 XGZQHIHBCYZCHR-IUCAKERBSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NC[C@@]12CC[C@H]1CNC2 1880494219 NDBXFXPKBURZOW-BQBZGAKWSA-N 152.201 1.296 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H]1C1CCC1 1889013251 MQPRXXAWVIARMI-KOLCDFICSA-N 196.246 1.086 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2COCC[C@H]21 1890172007 VUTJJUZBCSDXSC-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE CC(C)C[C@@H](N)[C@H](O)CN=[N+]=[N-] 1912159642 KNZLTWLIDFJWCC-RNFRBKRXSA-N 172.232 1.031 10 10 ADCE [N-]=[N+]=NC1CCN([C@@H]2CCOC2)CC1 1912171581 MRIWNKURBAAAIL-SECBINFHSA-N 196.254 1.550 10 10 ADCE C[C@@H]1CCN[C@H](CN=[N+]=[N-])O1 1912189501 WPFKMANWQJVTOW-RITPCOANSA-N 156.189 1.021 10 10 ADCE CC1(F)CN(c2ccc(CN)cc2)C1 1930299289 LGYAAWASUQHTNK-UHFFFAOYSA-N 194.253 1.694 10 10 ADCE COCC(C)(CCN=[N+]=[N-])COC 1951350229 INIHGZHJPYFTHG-UHFFFAOYSA-N 187.243 1.986 10 10 ADCE NNCc1ccc2ccccc2c1O 1951381581 NYSXVYCKZRIZMR-UHFFFAOYSA-N 188.230 1.509 10 10 ADCE OC[C@]1(F)C[C@H]1c1cccc(O)c1O 1952374757 KSHJFNCMDCOBKS-OIBJUYFYSA-N 198.193 1.286 10 10 ADCE CN(CCN=[N+]=[N-])CC1=CCSC1 1954827919 DNWPIYCVYRZMSM-UHFFFAOYSA-N 198.295 1.902 10 10 ADCE CC(C)(N)C[C@H](N)c1ccccc1O 1956150942 MBKFVRBJBNXAFC-VIFPVBQESA-N 194.278 1.519 10 10 ADCE CCc1sc(CO)c(O)c1N 2080417770 CWYQZGXFRMFBRW-UHFFFAOYSA-N 173.237 1.091 10 10 ADCE [N-]=[N+]=N[C@H]1CCCCC[C@H]1O 36379423 DXFAAMPAKSPSPV-NKWVEPMBSA-N 155.201 1.990 10 10 ADCE COc1ccc(C(=O)C=[N+]=[N-])cc1 37625987 UEHXIAGUEPEVPK-UHFFFAOYSA-N 176.175 1.179 10 10 ADCE C[C@H]1C[C@@H]1NCc1ccc(N)cc1 52294312 VPPVMWYLKYDDGJ-KWQFWETISA-N 176.263 1.767 10 10 ADCE COc1cc(N)c2c(c1)C=CCN2C 75579842 WRWGMOKIAYAATH-UHFFFAOYSA-N 190.246 1.740 10 10 ADCE C[C@@H](N)c1cc2c(cc1O)CCC2 108291662 QABOLNFSGSPIFN-SSDOTTSWSA-N 177.247 1.901 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@@H](O)C1CCCCC1 196531676 OHRKMURBUMLCSG-BDAKNGLRSA-N 199.254 1.599 10 10 ADCE CO[C@H](N=[N+]=[N-])C(C)(C)CO 207476457 URYLFEGZDAOWSO-YFKPBYRVSA-N 159.189 1.288 10 10 ADCE C=Cc1ccc(O)c([C@H](CO)NC)c1 238359142 IJPZGJIVAKRVCL-JTQLQIEISA-N 193.246 1.288 10 10 ADCE C[C@@H](N)Cc1cc(O)c(O)c(F)c1 258103741 PAOWUZJXVRBSTQ-RXMQYKEDSA-N 185.198 1.127 10 10 ADCE Nc1sc2c(N)cccc2c1O 306695063 VPMXUFHLZNIMPY-UHFFFAOYSA-N 180.232 1.771 10 10 ADCE N=C/N=N/c1cc[nH]c1 307119685 GPBDSXIJDKXIHC-CHPNIIKKSA-N 122.131 1.705 10 10 ADCE CCOC(=O)/C(=C\O)c1ccco1 308125584 ZPEIXDIUUGIZMO-SREVYHEPSA-N 182.175 1.742 10 10 ADCE NC(=O)N=Nc1ccc(F)cc1 334139261 AULQIDYYPIBIAY-UHFFFAOYSA-N 167.143 1.988 10 10 ADCE CCCc1cc(O)c(O)cc1[N+](=O)[O-] 687752116 RJVAWSAFXZRMSV-UHFFFAOYSA-N 197.190 1.959 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2[C@@H](C1)C2(F)F 715374276 DQPCEPJIFJBSQO-PHDIDXHHSA-N 188.181 1.494 10 10 ADCE CCN=c1cc[nH]cc1CN=[N+]=[N-] 1881855548 TZBHLYYKVLHJAI-UHFFFAOYSA-N 177.211 1.746 10 10 ADCE C[C@@H]1C[C@H](Oc2ccc(N)cc2)CN1 1896321690 PJMALIZCQPVNEZ-KCJUWKMLSA-N 192.262 1.398 10 10 ADCE [N-]=[N+]=NCCCCn1ccc(=O)cc1 1912143180 BOGVUECXBDNOLD-UHFFFAOYSA-N 192.222 1.939 10 10 ADCE O=C(O)C=Cc1cccc(O)c1O 2053571179 SIUKXCMDYPYCLH-UHFFFAOYSA-N 180.159 1.196 10 10 ADCE Nc1ccc(OCC(=O)OCF)cc1 2242487395 AWCHGSRKKXRFPT-UHFFFAOYSA-N 199.181 1.118 10 10 ADCE C[C@H](O)[C@H](C)N=[N+]=[N-] 4748471 SYJYCKNUUFGZBU-IMJSIDKUSA-N 115.136 1.066 10 10 ADCE COc1ccc(N(C)[C@@H](C)CN)cc1 20260854 GVTFMMJXUZUSIO-VIFPVBQESA-N 194.278 1.479 10 10 ADCE Oc1ccc(CNC2CCC2)c(O)c1 52207332 DRAIIRWBEULDKY-UHFFFAOYSA-N 193.246 1.740 10 10 ADCE CCCN(C(N)=O)c1ccc(N)cc1 63115553 LJWMPXMZUSNZJE-UHFFFAOYSA-N 193.250 1.564 10 10 ADCE C[C@H](N)c1cc(F)cc(C(=O)O)c1O 95713608 FFUBWAZXRQDHIJ-BYPYZUCNSA-N 199.181 1.249 10 10 ADCE C[C@@H](N)c1cc(S)ccc1O 104505961 NHWUUYVRGUVMRN-RXMQYKEDSA-N 169.249 1.701 10 10 ADCE CC/C(=C/O)C(=O)OC 114089773 YMJZVGBJAPAZLN-PLNGDYQASA-N 130.143 1.011 10 10 ADCE CCCCN1C[C@@H](N=[N+]=[N-])C[C@H]1CO 139904750 IRRGTDHBMFALJE-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CNCc1c(O)ccc(OC)c1F 214402254 GCNWOLVVZRVYCN-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE CCc1cc([C@@H](C)N)c(O)cc1OC 214814912 FSHAQRGURZHHPO-SSDOTTSWSA-N 195.262 1.983 10 10 ADCE Cc1cc(N)cc([C@@H](N)C(C)C)c1O 238173478 OZBIJOQHMQUZMI-JTQLQIEISA-N 194.278 1.939 10 10 ADCE [N-]=[N+]=N[C@]1(CF)CC[C@@H]2OC[C@H]1O2 306761036 WUDUYITVWLXJPL-QYNIQEEDSA-N 187.174 1.540 10 10 ADCE C[C@]1(N=[N+]=[N-])CCC[C@@]1(C)O 307146930 OCEHOMXEYLHWMC-NKWVEPMBSA-N 155.201 1.990 10 10 ADCE C[C@@H]1C[C@@H](N(C)CCN=[N+]=[N-])CO1 401441996 CBUMOJDYIGJNFB-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE C[C@@H]([C@@H](C)O)N1CCC[C@@H]1CN=[N+]=[N-] 1885284399 AUBPYAVMBIPTGC-DJLDLDEBSA-N 198.270 1.530 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@@H]2CCC[C@H]2O)C1 1912181904 UPQVDBBYTKCMPQ-IWSPIJDZSA-N 196.254 1.284 10 10 ADCE [N-]=[N+]=NC1CN(Cc2ccno2)C1 1912208427 UFENFKFZIRXUAC-UHFFFAOYSA-N 179.183 1.169 10 10 ADCE CO[C@H](CCN)c1cccc(O)c1O 1951520985 ABUIPKNZGCGSTG-SECBINFHSA-N 197.234 1.134 10 10 ADCE COc1cc(CN=[N+]=[N-])c(OC)nn1 1951582836 AOSRVFZGEQMRLM-UHFFFAOYSA-N 195.182 1.304 10 10 ADCE Cc1ccc([C@]2(N)C[C@@H]2C)c(O)c1 1951732606 IMFHPCOHYOWWIJ-KWQFWETISA-N 177.247 1.894 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1[C@H]2C[C@H]2[C@H]2C[C@H]21 1955005084 NBHWXBFPMUCHGL-ZLYVCXLSSA-N 192.266 1.883 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])CC[C@@H]1CO 1956314588 JEUHZYNJHSDVHG-DTWKUNHWSA-N 198.270 1.247 10 10 ADCE C[C@@H]1C[C@H](Oc2ccc(N)cc2)CO1 1956932432 UCYPHLXFBXKBLR-KCJUWKMLSA-N 193.246 1.825 10 10 ADCE CN(C)c1ccc2c(c1)OCCN2C 1957395592 JXNSMEYACDFGFI-UHFFFAOYSA-N 192.262 1.581 10 10 ADCE NCCn1ccc2cc(N)ccc21 82634187 HCGRGRWQYBXTAZ-UHFFFAOYSA-N 175.235 1.182 10 10 ADCE NCc1sc2ccc(O)cc2c1O 108305096 IEUJUYRNDLGYRK-UHFFFAOYSA-N 195.243 1.771 10 10 ADCE C=CC(=O)NCc1ccccc1O 113769741 AJUYXNKDRPEUKI-UHFFFAOYSA-N 177.203 1.194 10 10 ADCE O=C1N[C@H](C2CC2)c2c(O)cccc21 221377307 RTGKQYVXDYQWPZ-SNVBAGLBSA-N 189.214 1.587 10 10 ADCE CNCc1ccc(N2CC(C)C2)cc1 234423606 PAEKJPQGOQILLC-UHFFFAOYSA-N 190.290 1.862 10 10 ADCE CC(C)[C@@H](N)c1cc(N)c(O)c(O)c1 238791581 QYZCNYGPABANRK-SECBINFHSA-N 196.250 1.336 10 10 ADCE Cc1cc2c(c([C@@H](C)N)c1O)CCO2 258209642 ZDOIHRMRXVYQIM-SSDOTTSWSA-N 193.246 1.655 10 10 ADCE COC(=O)Cc1ccc(C)c(O)c1O 259796741 ABDLUQSBYBCPPJ-UHFFFAOYSA-N 196.202 1.122 10 10 ADCE C[C@H]1[C@H]2C[C@@H](C(=O)C2=O)[C@@H]1C 306470911 YHQIWHRUJLJSAT-DBRKOABJSA-N 152.193 1.047 10 10 ADCE CCN(CCCN=[N+]=[N-])C[C@@H](C)O 692154028 AFDKKBPWZYMGQL-MRVPVSSYSA-N 186.259 1.390 10 10 ADCE C[C@H](O)CN(CCN=[N+]=[N-])C1CC1 692159642 OINFLENXPVOFJS-ZETCQYMHSA-N 184.243 1.142 10 10 ADCE CC1([C@@H](CO)N=[N+]=[N-])CC1 1535822115 AXHJKYJCVWBJIX-RXMQYKEDSA-N 141.174 1.458 10 10 ADCE CN(C)CCN=NNc1cccnc1 1860494286 ZQJSDSXBATULMD-UHFFFAOYSA-N 193.254 1.422 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]1F 1879941694 BTUFRWDRRYOZLT-IUYQGCFVSA-N 115.111 1.655 10 10 ADCE CNCCC=Cc1ncc2n1CCC2 1887952669 CQTMQVZSQADPDI-UHFFFAOYSA-N 191.278 1.452 10 10 ADCE CC(=O)C(=O)C1(O)CCC2(CC2)CC1 1929186539 ZWMWYWIHUNAUOJ-UHFFFAOYSA-N 196.246 1.230 10 10 ADCE Oc1ccc(O)c([C@@H]2C[C@H](F)CN2)c1 1952879387 SVQLIYQBIXLDPG-RCOVLWMOSA-N 197.209 1.470 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1CC[C@H]2C[C@@H]21 1955196258 FSAHMLJYGUDVGR-RNJXMRFFSA-N 194.238 1.459 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1N 1957244487 PVLJYTKVJVCBBC-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE CC[C@@H](NN)c1ccc(OC)cc1O 2080459130 UBRIUQWDTCELMV-SECBINFHSA-N 196.250 1.315 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2C[C@@H]2C1=O 2209901659 BIGKMQBFQISKOV-YUMQZZPRSA-N 194.238 1.555 10 10 ADCE Nc1ccc(NO)cc1 34407676 HVYJFTRWLWDIKG-UHFFFAOYSA-N 124.143 1.070 10 10 ADCE CN(C)[C@@H]1CCN(CCCN=[N+]=[N-])C1 62967754 SSBILCKRKHIBRR-SECBINFHSA-N 197.286 1.323 10 10 ADCE CSc1cccc([C@H](N)CO)c1O 72197868 LRNQSLUKACQKRN-SSDOTTSWSA-N 199.275 1.106 10 10 ADCE C[C@H](CC(=O)O)c1ccc(O)c(O)c1 82908536 BGVLDIADPLHZNB-ZCFIWIBFSA-N 196.202 1.676 10 10 ADCE CC(=S)[C@H]1CCCC1=O 196686374 ODXDCIBHYBTZOP-ZCFIWIBFSA-N 142.223 1.745 10 10 ADCE COc1ccc([C@H](C)N)c(O)c1C 212028787 JNVJBZWSZGHUJE-ZETCQYMHSA-N 181.235 1.729 10 10 ADCE Cc1nccnc1[C@H](O)CN=[N+]=[N-] 235827743 PCXGDKALQCAQLD-ZCFIWIBFSA-N 179.183 1.129 10 10 ADCE COC[C@@H](N)c1c(C)cccc1O 238375128 FKFDZBMIYZTXCA-MRVPVSSYSA-N 181.235 1.347 10 10 ADCE CC1=C[C@H](C)SC(=S)N1 238425186 XRUUODPJUUGRCM-YFKPBYRVSA-N 159.279 1.900 10 10 ADCE Cc1cc(O)c2c(c1N)CCC[C@H]2N 238492848 RVKKMQSPXNJAFM-MRVPVSSYSA-N 192.262 1.619 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])[C@@H](C)N=[N+]=[N-] 238801170 VZXFWYAQAAHRPN-QWWZWVQMSA-N 184.159 1.537 10 10 ADCE NCc1ccc2c(c1O)CCC2 258120136 ZVKUQSYQJDGVFH-UHFFFAOYSA-N 163.220 1.340 10 10 ADCE C[C@H]1CO[C@@H](CN=[N+]=[N-])C1 536958195 MHWXROIZFXYGKM-PHDIDXHHSA-N 141.174 1.722 10 10 ADCE C[C@@H]1N(CCN=[N+]=[N-])CCOC1(C)C 687912825 JBBZKAZVONEJCP-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE CN(C[C@@H](O)CF)c1ccc(N)cc1 702124196 DRLYAGZHKPCDDN-JTQLQIEISA-N 198.241 1.035 10 10 ADCE C[C@H]1C[C@H](N(C)CCN=[N+]=[N-])CCO1 721464833 LVQLROWROHIJCV-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CC(C)C1(CN=[N+]=[N-])COC1 1880470922 YWJIRVGCDSPEAI-UHFFFAOYSA-N 155.201 1.969 10 10 ADCE [N-]=[N+]=NC[C@]12CC[C@@H]1CNC2 1880494220 NDBXFXPKBURZOW-RNFRBKRXSA-N 152.201 1.296 10 10 ADCE COCC(CCN=[N+]=[N-])COC 1881032470 ZFFVCMCSVUQXCH-UHFFFAOYSA-N 173.216 1.596 10 10 ADCE CCC(C)(C)[C@@](C)(O)C(=O)C(C)=O 1883237437 QFTNKBIACFXHTG-JTQLQIEISA-N 186.251 1.332 10 10 ADCE CC1(CN2CC(N=[N+]=[N-])C2)COC1 1883755770 LHLOHQDMHYWRMF-UHFFFAOYSA-N 182.227 1.017 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](O)[C@@H]1C1CC1 1887032412 NCPRWOFMAWKDPA-IUCAKERBSA-N 196.254 1.142 10 10 ADCE CC1(NC(=O)NCCN=[N+]=[N-])CCC1 1888041633 WKNVLSXIHOLOKV-UHFFFAOYSA-N 197.242 1.539 10 10 ADCE Nc1ccc(N2CCOCCO2)cc1 1895793715 LUCHAJNIZYTANP-UHFFFAOYSA-N 194.234 1.037 10 10 ADCE C[C@H](N)CCCOc1ccc(N)cc1 1896302861 LQTXQFVRINAKCC-VIFPVBQESA-N 194.278 1.775 10 10 ADCE NN[C@@H](c1ccccc1O)C1(F)CC1 1905731479 HAUUBRLXNKONNC-VIFPVBQESA-N 196.225 1.399 10 10 ADCE [N-]=[N+]=NCCN=S1(=O)CCC1 1912164419 AUHGQNDCOJGFGY-UHFFFAOYSA-N 174.229 1.168 10 10 ADCE CCO[C@@H](C)[C@@H](N)c1ccccc1O 1928472070 NBWLIVSJQLOPGQ-GZMMTYOYSA-N 195.262 1.817 10 10 ADCE CC(=O)C(=O)C1(O)C[C@@H](C)C[C@H](C)C1 1929141761 SCDTWPNDYKUGKV-YUMQZZPRSA-N 198.262 1.332 10 10 ADCE CCNCc1cc(O)cs1 1934712377 ILOFOJPYDVSQHI-UHFFFAOYSA-N 157.238 1.563 10 10 ADCE N[C@H]1C[C@H](c2cc(O)c(O)c(O)c2)C1 1952825081 GPYKZDRXSCRIFR-KBTIHESUSA-N 195.218 1.008 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)[C@H]2C=C[C@H]1C2 1955529284 UHMFYQDVPVJMCX-YUMQZZPRSA-N 192.222 1.474 10 10 ADCE CCC[S@@](=O)Cc1ccc(N)cc1 41043767 LFEQLWBQNZKBBO-ZDUSSCGKSA-N 197.303 1.928 10 10 ADCE CC[C@@H](N)Cc1ccc(N)cc1 44409717 LVNBTYZEQHVUTM-SECBINFHSA-N 164.252 1.549 10 10 ADCE CNCCOc1ccc(N(C)C)cc1 59470745 XDDXIGQFFPGLQU-UHFFFAOYSA-N 194.278 1.351 10 10 ADCE Cc1c(F)ccc(O)c1[C@@](C)(N)CO 104487773 GDWPQFAQGNNNKS-JTQLQIEISA-N 199.225 1.006 10 10 ADCE C[C@@H](O)CCOCc1ccc(N)cc1 133426266 VQABKPIWWJJMOY-SECBINFHSA-N 195.262 1.556 10 10 ADCE [N-]=[N+]=N[C@@H]1C=CCC[C@@H]1O 197090567 ZHXMGQUMFCWLHF-RITPCOANSA-N 139.158 1.376 10 10 ADCE CNCc1c(O)cccc1OC(C)C 213867333 ALNDXTZNOUYHGQ-UHFFFAOYSA-N 195.262 1.899 10 10 ADCE Cc1cc(O)c(C2(N)CCC2)c(O)c1 238487632 ASZXJESRYUVESV-UHFFFAOYSA-N 193.246 1.744 10 10 ADCE Cc1ccc([C@H](N)CF)c(O)c1C 238488784 ANTJQJDFPVCAGP-SECBINFHSA-N 183.226 1.978 10 10 ADCE COCc1cccc(C(C)(C)N)c1O 258181903 WQUGKYRHASHKER-UHFFFAOYSA-N 195.262 1.732 10 10 ADCE CC1(C)O[C@@H]2C=C[C@H](N=[N+]=[N-])[C@H]2O1 306256022 NNADTQCNGPJSSH-RRKCRQDMSA-N 181.195 1.755 10 10 ADCE CC(C)N(C)CC[C@H](CO)N=[N+]=[N-] 1535746195 GFBBJPMXGZBOGI-MRVPVSSYSA-N 186.259 1.388 10 10 ADCE [N-]=[N+]=N[C@H](CO)C1=COCCC1 1535763067 FPMRWNHEJQGJEC-SSDOTTSWSA-N 169.184 1.352 10 10 ADCE Cc1cnc([C@@H](CO)N=[N+]=[N-])cn1 1535854286 GKRNPRLRBNHJQK-SSDOTTSWSA-N 179.183 1.129 10 10 ADCE Oc1ccc(F)cc1CN[C@@H]1C[C@H]1F 1887538685 WSABVOOYYZJDTR-RKDXNWHRSA-N 199.200 1.731 10 10 ADCE CC(C)C1CN(CCN=[N+]=[N-])C1 1912145188 DGEOQRKLOSABLB-UHFFFAOYSA-N 168.244 1.885 10 10 ADCE [N-]=[N+]=NC1CN(C[C@@H]2CCCCO2)C1 1912163826 OKFDAHYEQDNJAC-VIFPVBQESA-N 196.254 1.550 10 10 ADCE O=C1CCc2ccsc2C1=O 1931607579 QTLQLMKIEMBDFJ-UHFFFAOYSA-N 166.201 1.446 10 10 ADCE O=C1CN[C@@H](c2c(O)cccc2F)C1 1951954539 KEURZXADIFRLRT-MRVPVSSYSA-N 195.193 1.135 10 10 ADCE C[C@H]1[C@@H](N)CCN1CCCCN=[N+]=[N-] 1957248004 ZMTZVCKRZJASDD-IUCAKERBSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=NCCCN[C@@H](C(=O)O)C1CC1 85225057 GPGDNMCFIYQXNE-SSDOTTSWSA-N 198.226 1.140 10 10 ADCE COc1cc(F)cc([C@H]2CCN2)c1O 95784526 REVJGXFBDFTDNE-MRVPVSSYSA-N 197.209 1.574 10 10 ADCE CC(C)(N)c1cccc(F)c1O 96862638 ILKCTBHBJUBACC-UHFFFAOYSA-N 169.199 1.725 10 10 ADCE Cc1cc(O)c([C@@H](O)CCN)s1 108299560 WQERRBCPIYYSMY-LURJTMIESA-N 187.264 1.144 10 10 ADCE CC[C@@H](N)CN=[N+]=[N-] 144949161 XQACSOXAAUOOAJ-SCSAIBSYSA-N 114.152 1.034 10 10 ADCE NC/C=C\c1ccc(O)c(O)c1 212028179 JEQQGLLTHHAKNM-UPHRSURJSA-N 165.192 1.070 10 10 ADCE C[C@@H](N)c1c(O)ccc(O)c1F 213986722 LHFBFQRDTDEHDZ-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE CC[C@H](N)c1cc(OC)c(O)cc1O 238314160 JXYSVZCNTNDCCM-ZETCQYMHSA-N 197.234 1.516 10 10 ADCE CC[S@](=O)Nc1ccc(N)cc1 306739735 BCSMOJLRJGFQLN-LBPRGKRZSA-N 184.264 1.364 10 10 ADCE C[C@@H]1[C@@H](O)CCCN1CCN=[N+]=[N-] 307737637 VGMWIDWFEUSDQH-SFYZADRCSA-N 184.243 1.142 10 10 ADCE C[C@H]1C[C@H](O)CCN1CCN=[N+]=[N-] 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[N-]=[N+]=N[C@@H]1COCC[C@H]1N=[N+]=[N-] 213947062 IVNKXZGNWDWYDV-RFZPGFLSSA-N 168.160 1.765 10 10 ADCE CC(C)(C)[C@@H]1NC(=O)[C@H]1N=[N+]=[N-] 222082042 AKNJCQOWNQEHRM-CRCLSJGQSA-N 168.200 1.210 10 10 ADCE COC1CC(Nc2ccc(N)cc2)C1 234765578 VHCKRKKZFRTJSA-UHFFFAOYSA-N 192.262 1.858 10 10 ADCE CC(=O)c1c(C)ccc(O)c1O 238119472 AOHZGACUBCVZHN-UHFFFAOYSA-N 166.176 1.609 10 10 ADCE COc1cc(O)c2c(c1)OCC[C@@H]2N 238372577 MAGVJGXOZZQPNJ-ZETCQYMHSA-N 195.218 1.183 10 10 ADCE C[C@@](N)(CCO)c1cccc(F)c1O 238433360 RASABGPUYBAIQJ-SNVBAGLBSA-N 199.225 1.088 10 10 ADCE CN(C)C(C)(C)CN=[N+]=[N-] 253568063 KULUZLVFAPTISI-UHFFFAOYSA-N 142.206 1.637 10 10 ADCE NCC1(c2cc(O)c(O)c(F)c2)CC1 258096163 OILIGNFSLXXDLE-UHFFFAOYSA-N 197.209 1.227 10 10 ADCE Oc1ccccc1[C@@H]1CCC[C@@H](O)N1 258484425 FITIOHLTHDWZSF-GXSJLCMTSA-N 193.246 1.525 10 10 ADCE [N-]=[N+]=NC[C@@]12CCCN(CC1)C2 575467114 YNVKTUOLTUBVEH-MRVPVSSYSA-N 166.228 1.783 10 10 ADCE C[C@H]1CN[C@@H](c2ccc(O)c(O)c2)O1 953005009 PBRCYBWWPZRSCK-QUBYGPBYSA-N 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179.267 1.418 10 10 ADCE CCOCOCCc1ccc(N)cc1 1884365540 CGDLHFPMIUXVQR-UHFFFAOYSA-N 195.262 1.822 10 10 ADCE C[C@@H](O)[C@@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 1885284402 AUBPYAVMBIPTGC-IWSPIJDZSA-N 198.270 1.530 10 10 ADCE NN[C@H](c1ccccc1O)C(F)F 1928481583 XQWRQUCHOSLAJW-SSDOTTSWSA-N 188.177 1.162 10 10 ADCE CC(=O)C(=O)[C@H](O)C1CCCCC1 1929123994 IMVLGFFLFCXHOL-SNVBAGLBSA-N 184.235 1.086 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCCC(C)(C)C1 1929141963 SWFVTXCVSSOMHE-NSHDSACASA-N 198.262 1.476 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H](N)CC1 1954207868 DDRPKBGUKAFANX-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE CCOCCNc1ccc(N)cc1 34498240 AZTIXJZQJUAAGH-UHFFFAOYSA-N 180.251 1.717 10 10 ADCE Oc1ccc(F)cc1[C@H]1COCCN1 82909977 NOXMAJPFTBGZJO-SECBINFHSA-N 197.209 1.192 10 10 ADCE CCNCc1cccc(F)c1O 83339956 XMJZXCJUMIQKOQ-UHFFFAOYSA-N 169.199 1.641 10 10 ADCE CCNCCCc1ccc(N)cc1 167641944 SLFOYHCVAHNARS-UHFFFAOYSA-N 178.279 1.811 10 10 ADCE Nc1ccc(Oc2cn[nH]c2)cc1 211507753 IJBNLLYEHJLVOT-UHFFFAOYSA-N 175.191 1.784 10 10 ADCE CCn1ccnc1/C(C)=C\CCNC 211891112 PNOANCIZSZRMDN-POHAHGRESA-N 193.294 1.916 10 10 ADCE Cn1ccc2ccc(CN)c(O)c21 215597166 QTCFEPQRBDFMLF-UHFFFAOYSA-N 176.219 1.343 10 10 ADCE CN(C)CCC[C@@H](N=[N+]=[N-])C(=O)O 238302570 RYFDFUDFESRWFO-ZCFIWIBFSA-N 186.215 1.092 10 10 ADCE Oc1cccc(C2CCOCC2)c1O 259575924 YIVPUPDIGQIBJW-UHFFFAOYSA-N 194.230 1.992 10 10 ADCE CN(C)N=Nc1cscc1C(N)=O 379339302 LFITZROYUAUXCO-UHFFFAOYSA-N 198.251 1.407 10 10 ADCE C/C=C\C(=O)N1CCC[C@H](N=[N+]=[N-])C1 403606154 GLXRNPLJYIVHAK-LTMVXPGCSA-N 194.238 1.864 10 10 ADCE CN(CCCF)CCCN=[N+]=[N-] 716659979 ORILFXCVQBKIET-UHFFFAOYSA-N 174.223 1.978 10 10 ADCE Oc1ccccc1CN[C@H]1C[C@@H]1F 1882873571 BBKROBKDZGAAJC-IUCAKERBSA-N 181.210 1.592 10 10 ADCE C[C@@H]1CCO[C@H]1CN1CC(N=[N+]=[N-])C1 1912149567 IEZNWFXCOVQJPN-APPZFPTMSA-N 196.254 1.406 10 10 ADCE Cc1cc(CN=[N+]=[N-])cc(O)n1 1951397707 BIZOHLNNPSFUTO-UHFFFAOYSA-N 164.168 1.906 10 10 ADCE C[C@H]1[C@@H](C)[C@@H]1C(=O)NCCCN=[N+]=[N-] 1955679040 CBQMQKYSKLTBTB-JIGDXULJSA-N 196.254 1.705 10 10 ADCE Cc1ccc(O)c([C@@H](NN)C(C)C)c1 2080473468 GRLDYADBTVUPTL-NSHDSACASA-N 194.278 1.861 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCN(C)C1 70822980 ZSFZDPYXXHXDIB-VIFPVBQESA-N 197.286 1.180 10 10 ADCE Cc1cc(N)c(O)c([C@@H]2CCCN2)c1 72201641 ATWDLRYULAUXNT-JTQLQIEISA-N 192.262 1.707 10 10 ADCE COc1ccc(O)c([C@@H](N)C2CC2)c1 95672830 BMZDQUIJGMIUBR-NSHDSACASA-N 193.246 1.811 10 10 ADCE NCc1ccc(CC2CC2)cc1O 95719505 BAKRFHADCNSAFJ-UHFFFAOYSA-N 177.247 1.803 10 10 ADCE CCCC(=O)C(=O)c1ccccn1 218937002 AKMDVGNTCFAOQV-UHFFFAOYSA-N 177.203 1.634 10 10 ADCE CC[C@H](N)c1cc(N)c(O)c(O)c1 238313415 KITYTHKYANNFOX-LURJTMIESA-N 182.223 1.090 10 10 ADCE CC/C=C(\N=[N+]=[N-])C(=O)OC 307662881 WOPQJERNRFXRLU-PLNGDYQASA-N 155.157 1.764 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2C[C@H]2C1 380347733 VJEQPBBOYLDTNV-OCAPTIKFSA-N 166.228 1.639 10 10 ADCE O=C1O[C@H]2CCC[C@@H]2C/C1=C\O 383843990 PBKBTTQHVSACPU-AFEINUPNSA-N 168.192 1.544 10 10 ADCE C[C@@H](N(C)CCN=[N+]=[N-])C(C)(C)O 394839399 DUWHXWQLYWSCGH-SSDOTTSWSA-N 186.259 1.388 10 10 ADCE Nc1ccc(N[C@H]2C[C@@H](CO)C2)cc1 606265635 LZTKAWQWCUJURV-DKTWLAJQSA-N 192.262 1.452 10 10 ADCE CC/C(C)=C\C(=O)OCC(=O)C(C)=O 838044608 PLRPNMTVMMSRDU-ALCCZGGFSA-N 198.218 1.044 10 10 ADCE [N-]=[N+]=NCc1cnc2[nH]nnc2c1 1535660414 RUDJEXDXMPGOEE-UHFFFAOYSA-N 175.155 1.163 10 10 ADCE Cc1cc([C@@H](CO)N=[N+]=[N-])ccn1 1535671129 QUBNJRCCSOOLSS-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE CC1([C@@H](CO)N=[N+]=[N-])CCOCC1 1535766261 KGINRAZCFQIBKL-SSDOTTSWSA-N 185.227 1.474 10 10 ADCE NCC=CCSc1nccs1 1911547885 OGFOKZVPTKFJPO-UHFFFAOYSA-N 186.305 1.750 10 10 ADCE Cc1ccc([C@H](NN)C(C)C)c(O)c1 2080449221 DWDCRLBAEMHNEI-LLVKDONJSA-N 194.278 1.861 10 10 ADCE CC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2209005649 VFEGOOLLUYKWGN-RNFRBKRXSA-N 168.200 1.354 10 10 ADCE C[C@H]1CC[C@@H]1C(=O)N(C)CCN=[N+]=[N-] 2209766075 CBLRXVBLTXERQU-YUMQZZPRSA-N 196.254 1.801 10 10 ADCE COCCc1ccc(O)c([C@@H](C)N)c1 104451869 JILBLBGRPPHDIY-MRVPVSSYSA-N 195.262 1.601 10 10 ADCE C[C@@](N)(c1ccc(O)c(O)c1)C1CC1 107180996 HLUNHDKIIRZUOL-NSHDSACASA-N 193.246 1.682 10 10 ADCE Cc1ccc2c(c1)CC(=O)C2=O 147848201 BMFXEWWHTFKFET-UHFFFAOYSA-N 160.172 1.303 10 10 ADCE C[C@H](N=[N+]=[N-])C(C)(C)O 197579449 KPZLLYYLCNDBRM-BYPYZUCNSA-N 129.163 1.456 10 10 ADCE Oc1cccc([C@@H]2CO2)c1O 201843277 KQSOTJHIJCIIJR-ZETCQYMHSA-N 152.149 1.169 10 10 ADCE COc1ccc(C(C)(C)N)c(O)c1F 214976713 IWJFHDGSNKLJHP-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE CC1(C)O[C@H]2[C@@H](N=[N+]=[N-])C=C[C@H]2O1 238187484 NNADTQCNGPJSSH-XVMARJQXSA-N 181.195 1.755 10 10 ADCE CCO[C@H](CC(C)(C)O)N=[N+]=[N-] 238286361 DEUJXCFPZMMDKJ-ZCFIWIBFSA-N 173.216 1.820 10 10 ADCE CC(=O)Cc1cc(C)c(O)c(O)c1F 258006187 GZAYXTNSUBJQQG-UHFFFAOYSA-N 198.193 1.677 10 10 ADCE COc1ccc(C)c(CNO)c1O 258201154 YLYUTNXTDHZNEY-UHFFFAOYSA-N 183.207 1.188 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2C[C@H]2[C@@H]1CCO 307529106 LGCLEZGAQFGFIB-RULNZFCNSA-N 167.212 1.704 10 10 ADCE CC(=O)N/C(C)=C/C(C)=S 307636966 VPNWGQBFGIIZPO-SNAWJCMRSA-N 157.238 1.416 10 10 ADCE [N-]=[N+]=N[C@@H](O)c1ccccc1[N+](=O)[O-] 687748458 AQUDMVQWCNUGQT-ZETCQYMHSA-N 194.150 1.896 10 10 ADCE [N-]=[N+]=NC[C@@H]1NC2(CCCC2)CO1 885408626 PRJQXXPPAPCFAH-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cc[nH]c1 1535792888 QUWJNKBBMZRWAM-ZCFIWIBFSA-N 152.157 1.358 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H](C)C(=O)O 1887717436 KOJRUTGBIPYOCZ-ZCFIWIBFSA-N 186.215 1.092 10 10 ADCE C[C@]1(N)CCN(CCCN=[N+]=[N-])C1 1893450882 AQMWYYTXZJQHJT-QMMMGPOBSA-N 183.259 1.110 10 10 ADCE NC[C@@H]1CC[C@@H]1Oc1ccc(N)cc1 1904948992 YAEVOYPDUOOQNN-KWQFWETISA-N 192.262 1.385 10 10 ADCE CC[C@@H](C)CNC(=O)NCCN=[N+]=[N-] 1912192104 AXASMDNYSXIENC-SSDOTTSWSA-N 199.258 1.642 10 10 ADCE COCC[C@H](N)c1ccc(O)cc1O 1951596356 HMOSEXSDYFRFSB-VIFPVBQESA-N 197.234 1.134 10 10 ADCE C[C@@H]1CNC[C@@H](CN=[N+]=[N-])C1 1953339748 SDOHJHZDPYFFFQ-BQBZGAKWSA-N 154.217 1.542 10 10 ADCE C[C@H](N)[C@@H](N=[N+]=[N-])c1ccco1 1953712153 BPCRCFINUHDMDI-CAHLUQPWSA-N 166.184 1.978 10 10 ADCE COC(=O)[C@H]1CC[C@@H]1CN=[N+]=[N-] 2209070820 CTARHBIQDKCTAH-RITPCOANSA-N 169.184 1.496 10 10 ADCE Cc1cn(C)c(/C=C/CCN)n1 2209082654 CFMDGTYKQMLPDQ-HWKANZROSA-N 165.240 1.091 10 10 ADCE Oc1ccc(C2CCNCC2)cc1O 26936857 WTVAFIJPKJHBBC-UHFFFAOYSA-N 193.246 1.565 10 10 ADCE [N-]=[N+]=NCCN1CCSCC1 42415844 ZWKLMQKGVVAMGE-UHFFFAOYSA-N 172.257 1.346 10 10 ADCE CN(C)c1cc(F)c(CN)cc1F 75844823 AJHQSMMSHMQIRC-UHFFFAOYSA-N 186.205 1.490 10 10 ADCE Oc1ccccc1CNc1ccon1 83341519 URGFPOTVNIDRHS-UHFFFAOYSA-N 190.202 1.992 10 10 ADCE CC[C@@H]1CCN[C@H](CC(=O)C(C)=O)C1 167562906 MFJIZVFWDKVMOL-ZJUUUORDSA-N 197.278 1.313 10 10 ADCE O=C(O)c1c(Cl)ccc(O)c1O 204269224 LVQUVHLECCBAEO-UHFFFAOYSA-N 188.566 1.449 10 10 ADCE CC1(C)C(=O)C(=O)[C@@]2(C)CC[C@@H]12 238217074 ICEFTXJVQKAIMN-WKEGUHRASA-N 166.220 1.581 10 10 ADCE C[C@H](N)c1cc(Cl)cc(N)c1O 238418280 XAHZLSYMDNMBHX-BYPYZUCNSA-N 186.642 1.648 10 10 ADCE NC1=NC(=O)C(=C2CCCCC2)S1 238587398 YPGGHYWRENXTBC-UHFFFAOYSA-N 196.275 1.793 10 10 ADCE Cc1cc(F)cc([C@@H](N)CCN)c1O 575437882 BANNNUAUXQTJOW-VIFPVBQESA-N 198.241 1.188 10 10 ADCE COC(=O)N1CCC[C@H]1CN=[N+]=[N-] 703091850 ZBOYUBYAEAIZLE-LURJTMIESA-N 184.199 1.528 10 10 ADCE COC1CC(CN(C)CCN=[N+]=[N-])C1 703351820 XQJQTYAOPDUTAP-UHFFFAOYSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCc1cnc2cnccn12 1535650277 IDUIYLUBDJCRAM-UHFFFAOYSA-N 174.167 1.540 10 10 ADCE Cn1ccc2ccc([C@@H]3C[C@H]3N)cc21 1535841822 RIZHBIUXRVYESN-WDEREUQCSA-N 186.258 1.993 10 10 ADCE Cc1ccccc1NN=NCC(=O)O 1860491952 XUYGLBZMWIQRSD-UHFFFAOYSA-N 193.206 1.859 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2COCC[C@@H]21 1883243017 HFTDTEMBHGKDAC-YUMQZZPRSA-N 182.227 1.017 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC(F)(F)[C@@H]1O 1912170462 XFLPGDAFBZLLJX-QWWZWVQMSA-N 163.127 1.455 10 10 ADCE Oc1ccccc1[C@H]1C=CCN1 1928472500 QGJGUTPZDIZFHV-SECBINFHSA-N 161.204 1.593 10 10 ADCE [N-]=[N+]=NC[C@@H]1CNCC2(CCC2)O1 1954859183 OFGABKSSCOVWOM-ZETCQYMHSA-N 182.227 1.208 10 10 ADCE CCOCC1CN(CCN=[N+]=[N-])C1 1954861670 DEHDRHHKMYCWKT-UHFFFAOYSA-N 184.243 1.265 10 10 ADCE CCN1CCN(CCN=[N+]=[N-])[C@H](C)C1 1955652991 CVKDKWYCKPRPHM-SECBINFHSA-N 197.286 1.323 10 10 ADCE O=C1OC[C@@H](c2ccccc2)C1=CO 2293641084 OESUMQMCVLDSHF-JTQLQIEISA-N 190.198 1.769 10 10 ADCE O=C(O)C(=S)Cc1ccsc1 82113761 UEPSVNIUWCGCET-UHFFFAOYSA-N 186.257 1.745 10 10 ADCE C[C@@H](CCN)Cc1ccc(N)cc1 107534661 FQNXSNLNHGHMSV-VIFPVBQESA-N 178.279 1.796 10 10 ADCE Oc1ccc2c(O)cccc2c1O 139986170 QKCAWPZWWHAZBB-UHFFFAOYSA-N 176.171 1.957 10 10 ADCE Oc1ccc(O)c([C@H]2CCCCN2)c1 211794890 SQROQCQCYPBDBQ-SNVBAGLBSA-N 193.246 1.912 10 10 ADCE [N-]=[N+]=NCc1cc(O)c(O)c(O)c1 223169389 DDACSCLUGLWTQA-UHFFFAOYSA-N 181.151 1.614 10 10 ADCE COc1cc(N=N)ccc1N 238385161 QRAWRFWZWMPBGW-UHFFFAOYSA-N 151.169 1.940 10 10 ADCE [N-]=[N+]=NC/C=C/[C@H]1C[C@H]1C(=O)O 238668398 HGEIQQBQAMBDGB-AUGZYCGMSA-N 167.168 1.574 10 10 ADCE CN(C)c1ccc(O)c(C2(N)CC2)c1 258045206 KDLXTNHDEMKSEW-UHFFFAOYSA-N 192.262 1.406 10 10 ADCE [N-]=[N+]=NCc1oncc1C(=O)O 306519346 CJRHLPKALIPYJA-UHFFFAOYSA-N 168.112 1.183 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H]2CCNC[C@H]2C1 307120565 HXDIETFTJPAGHW-XLPZGREQSA-N 166.228 1.685 10 10 ADCE Cc1c[nH]c(C)c1[C@H](CO)N=[N+]=[N-] 1535795084 WBHGGZYLPXCVQP-ZETCQYMHSA-N 180.211 1.975 10 10 ADCE COc1ccc([C@H](CO)N=[N+]=[N-])nc1 1535846117 KHPCTRUXCZPNCL-QMMMGPOBSA-N 194.194 1.434 10 10 ADCE Nc1ccc(NC[C@@H]2C=CCN2)cc1 1896461618 XPWMGRVIBOIMHN-NSHDSACASA-N 189.262 1.209 10 10 ADCE [N-]=[N+]=NC1CN(Cc2ccco2)C1 1912190795 JRZSTYBIMVIJTO-UHFFFAOYSA-N 178.195 1.774 10 10 ADCE CC(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1934382074 XLQFYNUQPOCLEG-QMMMGPOBSA-N 182.227 1.698 10 10 ADCE Nc1cc(OC(F)F)cc(O)c1O 2055196367 PLYWORHVCXWZOK-UHFFFAOYSA-N 191.133 1.281 10 10 ADCE CC1(C)C(=O)C(C)(C)C1=S=O 34599285 QMKHLNYJZNVCAT-UHFFFAOYSA-N 172.249 1.007 10 10 ADCE CC(C)C(=O)C(=O)c1cc[nH]c1 84427934 CQTRQWJLIZQQQI-UHFFFAOYSA-N 165.192 1.423 10 10 ADCE COc1cc(C)c(O)c([C@@H]2CCN2)c1 104460994 GYGCULJQAIFMKL-JTQLQIEISA-N 193.246 1.744 10 10 ADCE NC(=S)CCCc1ccc(N)cc1 107534578 ABUMKXREWQMWTQ-UHFFFAOYSA-N 194.303 1.878 10 10 ADCE CC(=O)C(=O)c1ccc(N(C)C)cc1 138373157 BJSAGDSFWUJAOI-UHFFFAOYSA-N 191.230 1.524 10 10 ADCE Oc1cc(F)c(Cl)cc1O 198572119 ACALZIHWTPRZAA-UHFFFAOYSA-N 162.547 1.890 10 10 ADCE CN[C@@H](C)c1cc(C(=O)O)ccc1O 211766509 ZGLTZOXPRIYLIM-LURJTMIESA-N 195.218 1.371 10 10 ADCE COc1c(C)cc(CN)c(O)c1C 214269932 QFWKSKCJJVKINZ-UHFFFAOYSA-N 181.235 1.476 10 10 ADCE NC1(c2ccc(F)c(F)c2O)CC1 214397895 PLBGPCFWYFVTKS-UHFFFAOYSA-N 185.173 1.618 10 10 ADCE Cn1nccc1CCN=[N+]=[N-] 230771183 UXVURQILYTYRNZ-UHFFFAOYSA-N 151.173 1.273 10 10 ADCE COc1cccc(O)c1C(C)(C)N 238381409 RFKOTHBUCRSZAX-UHFFFAOYSA-N 181.235 1.595 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 238606432 NWGYSIYHBPMJSM-SRQIZXRXSA-N 151.169 1.664 10 10 ADCE C[C@H](N)c1c(N)ccc(F)c1O 238804805 OFHHISBZVZSLJD-BYPYZUCNSA-N 170.187 1.133 10 10 ADCE Cc1cc(O)c(C(C)(C)N)cc1O 258109598 YUNKWGBDXIKFRC-UHFFFAOYSA-N 181.235 1.600 10 10 ADCE COc1ccc(N(C)C)c([C@H](C)N)c1 258128650 RGGVTOBGDPERCA-QMMMGPOBSA-N 194.278 1.781 10 10 ADCE [N-]=[N+]=NCC/C=C/CO 307182371 UTEBUAJPTQWZPX-HNQUOIGGSA-N 127.147 1.235 10 10 ADCE CC[C@H](Nc1ccc(N)cc1)[C@@H](C)O 307587011 RRWIXMYKEGICCX-KCJUWKMLSA-N 194.278 1.840 10 10 ADCE CCN(CC)N=Nc1[nH]cnc1C#N 388526965 FTROCPJGRRGYPJ-UHFFFAOYSA-N 192.226 1.622 10 10 ADCE CCN(CCN=[N+]=[N-])[C@@H]1CCCOC1 402680265 HKROODIGIIZYLZ-SECBINFHSA-N 198.270 1.798 10 10 ADCE CCN1C[C@H](CN=[N+]=[N-])OC1=O 687828128 MWTQNYPUOJHWEY-YFKPBYRVSA-N 170.172 1.137 10 10 ADCE CN(C)c1ccc([C@H](O)CF)cc1 1535880573 MGXGSZWPKIMCFO-SNVBAGLBSA-N 183.226 1.756 10 10 ADCE C[C@@H](N)CC=Cc1nccn1C 1886512911 NWACCUHLTATXMK-MRVPVSSYSA-N 165.240 1.171 10 10 ADCE Cn1ccnc1C1=CCC(C)(C)NC1 1887512677 KMPVIHGMEZFELO-UHFFFAOYSA-N 191.278 1.575 10 10 ADCE [N-]=[N+]=NCCCCN1CC([N+](=O)[O-])C1 1888891135 ALNWDJQWYYGSNQ-UHFFFAOYSA-N 199.214 1.038 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H](N)c1ccccc1 1912151670 KAFMYHHOPZPXSY-IUCAKERBSA-N 192.222 1.358 10 10 ADCE [N-]=[N+]=NC1CN(C[C@@H]2CCCOC2)C1 1912178550 NLSPDKSYNPWFGF-QMMMGPOBSA-N 196.254 1.408 10 10 ADCE C[C@H]1CO[C@@H](CN2CC(N=[N+]=[N-])C2)C1 1954968767 PDRFNENLSXZNCE-VXNVDRBHSA-N 196.254 1.406 10 10 ADCE [N-]=[N+]=NCC[S@](=O)[C@@H]1C[C@@H]2C[C@@H]2C1 2241690494 RWWQGQBAHGQNJK-PSWSROFUSA-N 199.279 1.844 10 10 ADCE Nc1ccc(Nc2cccnc2)nc1 8419455 MRPSCVYKOWILOQ-UHFFFAOYSA-N 186.218 1.802 10 10 ADCE CN[C@H](C)c1ccc(O)c(O)c1 84331142 JQJOQJPIUSJVTL-ZCFIWIBFSA-N 167.208 1.378 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H](O)C1 125584657 KRIUAUUUXDACLZ-RFZPGFLSSA-N 127.147 1.210 10 10 ADCE CCC[C@@H](C)C(=O)C(C)=O 166198878 QAWWOCIHMMAAHN-ZCFIWIBFSA-N 142.198 1.581 10 10 ADCE CC[C@@H](N)c1cc(OC)c(O)cc1O 238276665 JXYSVZCNTNDCCM-SSDOTTSWSA-N 197.234 1.516 10 10 ADCE NC(=O)/N=N/c1cccc(C(=O)O)c1 238575352 RLVCSBPWDRTHJA-ZHACJKMWSA-N 193.162 1.547 10 10 ADCE [N-]=[N+]=NCC[C@@H]1C=CCO1 238591378 AEBQRWXNUZMTNX-LURJTMIESA-N 139.158 1.642 10 10 ADCE [N-]=[N+]=NCCCC[C@@H]1CC(=O)CO1 238608294 OCIIFGMRNIYLQA-MRVPVSSYSA-N 183.211 1.825 10 10 ADCE CC[C@@H]1C[C@@H]1C(=O)NCCCN=[N+]=[N-] 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176.263 1.916 10 10 ADCE c1csc(SCC2COC2)n1 306481217 FVKJWOHRGPZUEE-UHFFFAOYSA-N 187.289 1.882 10 10 ADCE Nc1c(CO)ccc2c(O)csc12 306666350 ZJOPCMXXEPHUFG-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE CC[C@H](O)[C@@H](N)c1cc(F)ccc1O 307660580 CJOSHNZBXQHVOR-WPRPVWTQSA-N 199.225 1.302 10 10 ADCE CN(c1ccc(N)cc1)[C@@H]1CC[C@H]1O 702087230 QXVZMGNHTOEVAU-GHMZBOCLSA-N 192.262 1.228 10 10 ADCE C[C@@H]1C[C@@]1(C)C(=O)NCCN=[N+]=[N-] 704353569 BCGYWBIVWBKLIU-HTRCEHHLSA-N 182.227 1.459 10 10 ADCE CCn1cc([C@H](CO)N=[N+]=[N-])cn1 1535842896 YDWQGHWEGZXPMS-ZETCQYMHSA-N 181.199 1.247 10 10 ADCE CN(CCN=[N+]=[N-])C(CF)CF 1881011833 DSHADFNCKZZTQY-UHFFFAOYSA-N 178.186 1.536 10 10 ADCE CC=CC(=O)N1CCC[C@H](N=[N+]=[N-])C1 1884647086 GLXRNPLJYIVHAK-QMMMGPOBSA-N 194.238 1.864 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H](O)C12CCC2 1900889173 TXHIBGDLGSPYKP-QMMMGPOBSA-N 196.254 1.286 10 10 ADCE [N-]=[N+]=NCCN1CCC2(CCO2)CC1 1935276816 SHIDOGWQYPAEHV-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE C[C@@H](CN)Cc1ccc(O)c(O)c1 1951572674 CTSNOJCAYQHYDC-SSDOTTSWSA-N 181.235 1.235 10 10 ADCE [N-]=[N+]=NCCN1CC=CCC1 1953297413 VNRYWWHQZMZAIW-UHFFFAOYSA-N 152.201 1.559 10 10 ADCE CCONCc1c(O)cccc1F 1954507248 QCGDZYGBXJZISW-UHFFFAOYSA-N 185.198 1.572 10 10 ADCE C[N+](C)(C)Cc1c(O)ccc(O)c1O 6068160 LOWSAKFPXDAIRC-UHFFFAOYSA-O 198.242 1.010 10 10 ADCE CN[C@H](C)c1cccc([N+](=O)[O-])c1O 104526037 PHPUBXXKYFOPBH-ZCFIWIBFSA-N 196.206 1.581 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)N=[N+]=[N-] 137897690 IPCAYCOPJDQMJA-GSVOUGTGSA-N 142.122 1.316 10 10 ADCE CC1(C)O[C@@H]2C[C@@H](CN=[N+]=[N-])O[C@@H]2O1 210081462 JRZGNHWZINXDPH-RRKCRQDMSA-N 199.210 1.563 10 10 ADCE CNCc1cc(C)c(C)c(OC)c1O 212151287 RCYDNMGYFGAZMB-UHFFFAOYSA-N 195.262 1.737 10 10 ADCE CC(C)(N)c1ccc(F)c(F)c1O 214473157 IAKCLROYWGAYEM-UHFFFAOYSA-N 187.189 1.864 10 10 ADCE COC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1N=[N+]=[N-] 238374654 INUVUHHFCYWXKY-GBNDHIKLSA-N 197.194 1.016 10 10 ADCE Cc1cc(O)c([C@@H](N)[C@H](C)O)cc1C 238487136 CBEMYPFWWLODHL-KWQFWETISA-N 195.262 1.390 10 10 ADCE Nc1ccc(C[C@@H]2CCC(=O)O2)cc1 238640504 VDNOFIUEHKBXKF-JTQLQIEISA-N 191.230 1.517 10 10 ADCE Oc1cc2c(cc1O)[C@@H](O)CCC=C2 238664199 XUHGBWAAUGHLGG-VIFPVBQESA-N 192.214 1.938 10 10 ADCE [N-]=[N+]=N[C@@H](O)c1cccnc1 238714581 XKPIUODLNNRIAI-LURJTMIESA-N 150.141 1.383 10 10 ADCE Oc1ccccc1[C@@H]1NCCCO1 258604186 QUBIAVOBBVPDFO-SNVBAGLBSA-N 179.219 1.401 10 10 ADCE CC(C)CC(=O)C(=O)C1CC1 307739385 KZMITRGFNKQJCY-UHFFFAOYSA-N 154.209 1.581 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@@H](O)CC1 393216406 MBXMONXDLXBPMG-SECBINFHSA-N 198.270 1.534 10 10 ADCE CCO[C@H]1CCN(CCCN=[N+]=[N-])C1 701664653 YUQLTQZTTKVXBY-VIFPVBQESA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC2(CNC2)CO1 1883746134 JQQVOKNSHVEORT-SSDOTTSWSA-N 182.227 1.065 10 10 ADCE CC[C@@H](CN)Nc1c(N)cccc1F 1888905025 JCVXQNOBHGRBST-ZETCQYMHSA-N 197.257 1.557 10 10 ADCE CCn1ccnc1C=C(C)CCN 1928443121 CSRUJECDVILMNN-UHFFFAOYSA-N 179.267 1.655 10 10 ADCE [N-]=[N+]=NCCc1cncc(Cl)n1 1951386063 KBIBHZGIHWSNEO-UHFFFAOYSA-N 183.602 1.983 10 10 ADCE Cc1cc(CN2CC(N=[N+]=[N-])C2)n[nH]1 1956716004 JARCWDVVONLTIW-UHFFFAOYSA-N 192.226 1.213 10 10 ADCE CC(C)[C@H]1CNCCN1CCN=[N+]=[N-] 1957243708 HAJZYLJMVQOTDM-SECBINFHSA-N 197.286 1.227 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H]1[C@@H](CN)C2 1957248817 GILOTJIEFDKTDH-HRDYMLBCSA-N 195.270 1.108 10 10 ADCE CN(C)c1ccc(C=C[N+](=O)[O-])cc1 2053471986 RIXCESCQOUSSJX-UHFFFAOYSA-N 192.218 2.000 10 10 ADCE CCN[C@H](CNC)c1ccccc1O 2241967565 XONUQNHCFWFVNV-SNVBAGLBSA-N 194.278 1.262 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@@H]1C2 49716597 WIJMSJILHDJRPG-JGVFFNPUSA-N 166.228 1.781 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])CCCO1 61932335 DYPQHVDVCRQGDP-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE CN(C)CCCN(C)CCCN=[N+]=[N-] 82545959 FTCNBFYMLQJMEV-UHFFFAOYSA-N 199.302 1.570 10 10 ADCE CCC(=O)Nc1ccc(O)c(CN)c1 82637178 VSTUXQZEUDBGFF-UHFFFAOYSA-N 194.234 1.199 10 10 ADCE CC(C)[C@@H](N)c1cc(O)ccc1O 95659850 DISYUQFEOPSYAN-SNVBAGLBSA-N 181.235 1.754 10 10 ADCE Cc1cc(C)c([C@H](N)[C@H](C)O)c(O)c1 95783009 DAGDHUUQRRPKGT-GZMMTYOYSA-N 195.262 1.390 10 10 ADCE Oc1cccc([C@@H]2CCCNC2)c1O 95828424 OCUAQAGLCCUVAF-MRVPVSSYSA-N 193.246 1.565 10 10 ADCE Oc1cc(F)c(F)c(F)c1O 142646995 LCQVAWASRWUKQW-UHFFFAOYSA-N 164.082 1.515 10 10 ADCE CC(C)[C@H](N)c1cc(N)c(F)cc1O 211740767 FWLWVLUSKSDVRP-JTQLQIEISA-N 198.241 1.769 10 10 ADCE CN(O)Cc1c(O)cc(F)cc1F 214539382 MNDDNODBEMKDNH-UHFFFAOYSA-N 189.161 1.491 10 10 ADCE CCOC(=O)CCC(=O)CN=[N+]=[N-] 222307918 CPKGHLLJIWTUHN-UHFFFAOYSA-N 185.183 1.209 10 10 ADCE CCCCC(=O)C(=O)CCC(=O)O 238222364 FOQWFMRQJMLCFZ-UHFFFAOYSA-N 186.207 1.180 10 10 ADCE Cc1cc([C@@H](N)CO)ccc1N(C)C 238314390 XLIIUTPOTZMKPK-JTQLQIEISA-N 194.278 1.053 10 10 ADCE COC(CN=[N+]=[N-])CN=[N+]=[N-] 238336808 DHHHISLCWDZVQU-UHFFFAOYSA-N 156.149 1.622 10 10 ADCE C[C@@]1(O)CCCC[C@@H]1N=[N+]=[N-] 238500345 MSMMICIVQPJJTC-NKWVEPMBSA-N 155.201 1.990 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H]1N=[N+]=[N-] 238595026 GTJFLJZZGQKSJU-QWWZWVQMSA-N 136.118 1.914 10 10 ADCE [N-]=[N+]=N[C@@H](CN)Cc1ccccc1 238601834 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CCON(C)CCCCN=[N+]=[N-] 1912171386 JVUUVAGXDDDXHP-UHFFFAOYSA-N 172.232 1.960 10 10 ADCE CCCN(CCN)CCCN=[N+]=[N-] 1954208535 OQJBHXZCGDJAOF-UHFFFAOYSA-N 185.275 1.358 10 10 ADCE C[C@@H]1CC[C@@H](N)CN1CCN=[N+]=[N-] 1954209007 XKRJYGBLNDCKBO-HTQZYQBOSA-N 183.259 1.108 10 10 ADCE Nc1cccc(F)c1N[C@@H]1CC[C@H]1O 1955650416 PWYIPOQOVISAEX-RKDXNWHRSA-N 196.225 1.343 10 10 ADCE N[C@H]1C[C@H]2C[C@@H]1c1c2ccc(O)c1O 27185053 HMWASRAMRZXLCY-DTLFHODZSA-N 191.230 1.400 10 10 ADCE CCC1(N=[N+]=[N-])CN(N=O)C1 34115322 DJQQCDJCECOQCN-UHFFFAOYSA-N 155.161 1.443 10 10 ADCE CC(=S)c1ccc[nH]1 39095414 LMEKKAKIVDDBED-UHFFFAOYSA-N 125.196 1.753 10 10 ADCE CN(C)c1ccc([C@@H]2NCCO2)cc1 58492010 WCOYQVTWQGYNBO-LLVKDONJSA-N 192.262 1.371 10 10 ADCE COc1cccc([C@@H](C)N)c1O 83591536 WDDKVEAKUIBZEB-ZCFIWIBFSA-N 167.208 1.421 10 10 ADCE Nc1sccc1C=S 104592720 ZDPCOPJNGSNTKE-UHFFFAOYSA-N 143.236 1.678 10 10 ADCE COc1cc(C)c(O)c([C@H]2CCN2)c1 211649750 GYGCULJQAIFMKL-SNVBAGLBSA-N 193.246 1.744 10 10 ADCE CN1CCc2cc(/C=C\CO)ccc21 211976904 GPNYLMLRBOSQQR-IHWYPQMZSA-N 189.258 1.684 10 10 ADCE [N-]=[N+]=NCc1cnc[nH]1 216455715 CBGOTHFNDMZDGH-UHFFFAOYSA-N 123.119 1.220 10 10 ADCE CC(C)(C)[C@H](O)N=[N+]=[N-] 238180189 HXAWWFJOPMLMIO-BYPYZUCNSA-N 129.163 1.661 10 10 ADCE COc1ccc(C(=O)C(C)=O)c(O)c1 238344624 SIJNLTJOJMVTIY-UHFFFAOYSA-N 194.186 1.173 10 10 ADCE C[C@H]1CCN(CCCN=[N+]=[N-])C1=O 399697516 VGQOAKOLZGKMPO-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE CO[C@@H]1CC[C@@H](N(C)CCN=[N+]=[N-])C1 1878624342 RAXIBSRHOGKIIH-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CO[C@H]1C[C@@H](N=[N+]=[N-])C[C@H]1OC 1881037969 LEVCAYFMBVCCQI-KVSKUHBBSA-N 171.200 1.489 10 10 ADCE Cn1ccnc1C=C[C@@]1(C)CCNC1 1897332819 ADSSYNVBFBELKG-NSHDSACASA-N 191.278 1.433 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@H]1F 1912169576 MLXKQUIIUPGXJZ-NKWVEPMBSA-N 172.207 1.587 10 10 ADCE [N-]=[N+]=NC1CN(CC23CC(CO2)C3)C1 1912183478 PSWGFAVUXSFISM-UHFFFAOYSA-N 194.238 1.160 10 10 ADCE CCn1ccnc1C=C1CNC[C@H]1C 1926533003 WWGNHEUHYDASQX-SECBINFHSA-N 191.278 1.526 10 10 ADCE C[C@@H](N)CN(C)CCCCN=[N+]=[N-] 1954206525 HRQBGZZPNOKZHC-MRVPVSSYSA-N 185.275 1.356 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@H]1CC12CCC2 2241552606 RBQVKRCWBDSROD-RNFRBKRXSA-N 167.212 1.848 10 10 ADCE CC(=O)C(=O)c1cc(O)ccc1C 14491218 JGBKUPPZCCZOMT-UHFFFAOYSA-N 178.187 1.472 10 10 ADCE NCCSc1ccc(O)c(O)c1 34334115 WNZCIPHBGUISFQ-UHFFFAOYSA-N 185.248 1.149 10 10 ADCE NCc1cc(-c2ccon2)ccc1O 84250383 LKACEHCMSMFLTO-UHFFFAOYSA-N 190.202 1.506 10 10 ADCE N=[N+]=CC(=O)Cc1ccccc1 96297828 ASYKOJLVUNAANS-UHFFFAOYSA-N 161.184 1.108 10 10 ADCE CC[C@H](NOC)c1ccccc1O 134240958 YVOSWCYBMBVAAN-VIFPVBQESA-N 181.235 1.994 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H]1CC[C@@H](O)O1 135694177 IBPFIMZTGGBNDA-ZLUOBGJFSA-N 157.173 1.183 10 10 ADCE C[C@H](N)CCc1cccc(O)c1O 139531861 TYTFWLVYIPQTMZ-ZETCQYMHSA-N 181.235 1.378 10 10 ADCE C[C@H](N)c1c(O)cccc1O 211501567 SJFOUJQHRLSONM-YFKPBYRVSA-N 153.181 1.118 10 10 ADCE COc1cc(Cl)c(O)c(CN)c1 213311298 HKPVYYMPJWBCRM-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE ONCc1c(O)c(F)cc(F)c1F 257989250 FHXLJSDQVGLURR-UHFFFAOYSA-N 193.124 1.288 10 10 ADCE CC(=O)C(=O)CSCC(C)(C)C 307958031 HRPGINKFUZYIIN-UHFFFAOYSA-N 188.292 1.924 10 10 ADCE Nc1ccc(O[C@H]2C[C@H](N)C2)cc1 1883786109 JDRBDEJRRVGHCO-CZMCAQCFSA-N 178.235 1.137 10 10 ADCE CC1(O)CC2(CN(CCN=[N+]=[N-])C2)C1 1886136403 AYXZVRRIDFTLDP-UHFFFAOYSA-N 196.254 1.144 10 10 ADCE CC[C@@H]1C[C@H]1C(=O)N(C)CCN=[N+]=[N-] 1897761446 SYDUIQYASUQXAJ-HTQZYQBOSA-N 196.254 1.801 10 10 ADCE Cc1ccc([C@H]2NCCC2=O)c(O)c1 1951859619 ZZHYZMGWSUSJPC-LLVKDONJSA-N 191.230 1.304 10 10 ADCE C[C@@H]1C[C@@H]1N(C)c1ccc(CN)cc1 1957004632 DMMYZVUAIMUHPE-SKDRFNHKSA-N 190.290 1.990 10 10 ADCE C/C=C(\N=[N+]=[N-])C1=NC1 34184581 OSCVWQCBZYSYJP-RQOWECAXSA-N 122.131 1.655 10 10 ADCE Nc1sccc1C(=O)c1cc[nH]n1 75491532 BYKVIEYFAFEFKJ-UHFFFAOYSA-N 193.231 1.284 10 10 ADCE Cc1ccc(F)c([C@H]2CCN2)c1O 95784516 VVRLYUUXQZYPCP-MRVPVSSYSA-N 181.210 1.874 10 10 ADCE Nc1ccccc1[C@@H](C=S)C(=O)O 142002907 NSJCQMQIAHPXBL-SSDOTTSWSA-N 195.243 1.437 10 10 ADCE Cc1cccc(CNCCCN)c1O 159151684 WZCBAYMXPCSKOF-UHFFFAOYSA-N 194.278 1.139 10 10 ADCE [N-]=[N+]=NCC[C@H](O)c1ncco1 165895159 GBSWRIGNSGNIPQ-YFKPBYRVSA-N 168.156 1.408 10 10 ADCE CN[C@@H](C)c1cc(F)cc(OC)c1O 238326424 AMYMNAUXQCDKRA-LURJTMIESA-N 199.225 1.820 10 10 ADCE CC(=O)O[C@H]1C=C[C@@H](N=[N+]=[N-])O[C@@H]1C 238507999 ZPBAIEHVGAIZDZ-DTLFHODZSA-N 197.194 1.529 10 10 ADCE NCc1c(O)nc(O)c2ccccc12 686086039 BHKPEBZUSYCQJF-UHFFFAOYSA-N 190.202 1.105 10 10 ADCE C[C@H]1COC[C@H]1N(C)CCN=[N+]=[N-] 688219598 XDMIBHOWODLENW-JGVFFNPUSA-N 184.243 1.263 10 10 ADCE CN(C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692882744 AVLBPFFKWZSVIG-SSDOTTSWSA-N 197.242 1.443 10 10 ADCE [N-]=[N+]=NC[C@H]1C(=O)CCN1C1CCC1 712343875 SREWFZGPJIHIKD-QMMMGPOBSA-N 194.238 1.493 10 10 ADCE [N-]=[N+]=NCCc1c(O)cc(O)cc1O 1535670733 IAJSGRWYNWFMLF-UHFFFAOYSA-N 195.178 1.656 10 10 ADCE Cc1cccc(N)c1N[C@H]1CCNC1 1888898311 HBWZZCUXERSTBI-VIFPVBQESA-N 191.278 1.351 10 10 ADCE CO[C@@H]1CCN(CCCN=[N+]=[N-])[C@@H]1C 1912146041 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C[C@H]1COCC[C@@H]1N=[N+]=[N-] 219003520 TWKUXPKDLCGUNX-WDSKDSINSA-N 141.174 1.722 10 10 ADCE NC[C@@H]1CCN(c2ccc(N)cc2)C1 219492136 LIEDQSOZNJLHQJ-VIFPVBQESA-N 191.278 1.054 10 10 ADCE O=C1CC[C@@H](c2c(O)cccc2O)N1 238725147 OSZQGQADYFGIIA-LURJTMIESA-N 193.202 1.049 10 10 ADCE O=C(O)Cc1cc(O)cs1 307356450 YOZDDPCPIPOTKG-UHFFFAOYSA-N 158.178 1.081 10 10 ADCE [N-]=[N+]=NCC[C@H]1COCCC1=O 698558935 LOOANNCWFWOCJP-LURJTMIESA-N 169.184 1.292 10 10 ADCE NC[C@@H]1C[C@H]1c1ccc(O)c(O)c1 1535868475 PYVPHZIOBRHSFN-YUMQZZPRSA-N 179.219 1.160 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC=C[C@H]1C2 1881834198 TWPUIMSYYGQPKF-IUCAKERBSA-N 178.239 1.947 10 10 ADCE NC[C@H]1CC[C@@H]1Nc1ccc(N)cc1 1888933321 KYIFTFNLKLKVET-KCJUWKMLSA-N 191.278 1.418 10 10 ADCE [N-]=[N+]=NCCCCN1CC(F)C1 1912177650 KLERZQARBXVFOA-UHFFFAOYSA-N 172.207 1.731 10 10 ADCE Oc1cccc([C@@H](O)C2CC2)c1O 1951376015 JLAUFZCNGNWCNC-VIFPVBQESA-N 180.203 1.541 10 10 ADCE CSCC(=O)Nc1ccc(N)cc1 38063554 GKKASYFNGOWISD-UHFFFAOYSA-N 196.275 1.570 10 10 ADCE CC(C)OC[C@@H](O)CN=[N+]=[N-] 38363004 ZGESFQWNGRLQLH-LURJTMIESA-N 159.189 1.083 10 10 ADCE Cc1noc(C)c1/N=N/N(C)C 39113302 HUXXDVJQGLIAOG-CSKARUKUSA-N 168.200 1.852 10 10 ADCE CN[C@H](CO)c1ccc(N(C)C)cc1 41206836 YQSFTLGXYUSGQF-LLVKDONJSA-N 194.278 1.005 10 10 ADCE C[C@H](O)[C@@H](N)c1ccc(N(C)C)cc1 41206839 FETDJDVRCQKPFT-GZMMTYOYSA-N 194.278 1.133 10 10 ADCE Cc1nnc(SCCN=[N+]=[N-])o1 51038608 XXRNEPVOJUAMNI-UHFFFAOYSA-N 185.212 1.780 10 10 ADCE Cc1cnc(=O)n(CCCN=[N+]=[N-])c1 63050283 JEPZVYVPDALHTD-UHFFFAOYSA-N 193.210 1.252 10 10 ADCE CCc1cc(O)c(O)c(O)c1C 75555840 SXQZRYBURBSQNP-UHFFFAOYSA-N 168.192 1.674 10 10 ADCE Nc1ccc(Cc2cc(=O)[nH]o2)cc1 82390565 ARBVNRXEGJIKDH-UHFFFAOYSA-N 190.202 1.141 10 10 ADCE Nc1ccc(COCCF)cc1 87774124 IRAJQGQHMOXGME-UHFFFAOYSA-N 169.199 1.755 10 10 ADCE O=C1Oc2ccoc2/C1=C\O 100210132 RDHNPRNZORQTTK-ONEGZZNKSA-N 152.105 1.098 10 10 ADCE CC(=O)O[C@@H]1[C@H](C)OC=C[C@H]1N=[N+]=[N-] 196733184 QBTMAHFTNMULDZ-UIISKDMLSA-N 197.194 1.529 10 10 ADCE CCOC(=O)/C=C\[C@H](N=[N+]=[N-])[C@@H](C)O 214302586 UUJGMQPHJPNTLV-OMGMQQTBSA-N 199.210 1.165 10 10 ADCE CC(=O)[C@H](C)/N=N/c1ccn[nH]1 306765743 ADSOPOXLAMDDCU-AKOXGQBHSA-N 166.184 1.471 10 10 ADCE C[C@@H]1OC(=O)N[C@H]1c1ccccc1O 306796468 JLROTEYXFLEWLY-IMTBSYHQSA-N 193.202 1.562 10 10 ADCE Cc1ccc([C@H](N)CCCN)c(O)c1 575437990 AXONYVMBKSOIKU-SNVBAGLBSA-N 194.278 1.439 10 10 ADCE C=Cn1cc([C@@H](CO)N=[N+]=[N-])cn1 1535656537 WNUREPTYYAKZSC-SSDOTTSWSA-N 179.183 1.327 10 10 ADCE CN[C@@H](CF)c1cc(OC)ccc1O 1952557725 BJDAXHDRJJJXEI-VIFPVBQESA-N 199.225 1.631 10 10 ADCE CN[C@@H](CF)c1cccc(F)c1O 1952585715 FATSSKIWCCFOSX-QMMMGPOBSA-N 187.189 1.761 10 10 ADCE [N-]=[N+]=NCCCN1CCCCN1 1953750650 BEJANKRNKMVERR-UHFFFAOYSA-N 169.232 1.287 10 10 ADCE CC(C)(N)C[C@@H](N)c1ccccc1O 1956150941 MBKFVRBJBNXAFC-SECBINFHSA-N 194.278 1.519 10 10 ADCE N=Nc1ccc(NCCO)cc1 2572137 WSODWCIKOQLCBG-UHFFFAOYSA-N 165.196 1.753 10 10 ADCE C[C@H](O)/C=C\c1ccc(O)c(O)c1 13339808 IETUJSYZCNZPKR-XDVGHUOJSA-N 180.203 1.492 10 10 ADCE CCc1cc(O)c(O)c(C(=O)O)c1 34101778 DNIUGLPAZRMKLG-UHFFFAOYSA-N 182.175 1.358 10 10 ADCE [N-]=[N+]=N[C@@H]1CCn2nccc2C1 38218592 XFAXHDBWTMLYAW-ZCFIWIBFSA-N 163.184 1.508 10 10 ADCE CCC(O)(CN=[N+]=[N-])CN=[N+]=[N-] 39017522 VXTGQSLZVISXOS-UHFFFAOYSA-N 170.176 1.748 10 10 ADCE C[C@H]1C[C@@H]1C(=O)NCCCN=[N+]=[N-] 42012882 ZWMRBTPJJZVWNK-BQBZGAKWSA-N 182.227 1.459 10 10 ADCE Cc1cc2c(cc1F)C(=O)CC2=O 141667917 JUAFJCZNLKXHOB-UHFFFAOYSA-N 178.162 1.903 10 10 ADCE C#CCO[C@H]1CC[C@H](N=[N+]=[N-])[C@H](C)O1 146231581 NYXOQMYFKIXXLC-XHNCKOQMSA-N 195.222 1.840 10 10 ADCE Cc1ccc(Cl)c(O)c1CNO 214505835 ULBBLQLMPOVEBB-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE CCOC(=O)/C(=C/O)C(C)C 238287754 ZFNSUUHEXZZZFK-FNORWQNLSA-N 158.197 1.647 10 10 ADCE COc1ccc([C@H](O)N=[N+]=[N-])cc1 238352492 DRCMEXRXICVBME-QMMMGPOBSA-N 179.179 1.996 10 10 ADCE [N-]=[N+]=NCCC[C@H]1CO1 238590464 JZRDZKUTODRVMO-YFKPBYRVSA-N 127.147 1.476 10 10 ADCE CN(C#N)c1ccc(N)cc1 575559993 ZTJWISNEELEMRM-UHFFFAOYSA-N 147.181 1.186 10 10 ADCE CC(C)(C)OC1CN(CCN=[N+]=[N-])C1 707600447 IBLRQQUMTSCDOW-UHFFFAOYSA-N 198.270 1.796 10 10 ADCE Nc1ccc(NC[C@H]2C[C@@H]2N)cc1 1883132903 JMPSSCMMGSEZOH-XCBNKYQSSA-N 177.251 1.028 10 10 ADCE Cc1c[nH]nc1CN1CC(N=[N+]=[N-])C1 1912154726 ILPJRKOTBQPBIT-UHFFFAOYSA-N 192.226 1.213 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(Cc2cn[nH]c2)C1 1912202157 COBMUVKTBKKTJM-MRVPVSSYSA-N 192.226 1.294 10 10 ADCE O=C1C[C@H]2CCCCC[C@H]2C1=O 1932856113 XTRZRGFWPBPFQC-HTQZYQBOSA-N 166.220 1.725 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](O)CC12CC2 1956753027 XZYORTIRRUDIQY-MRVPVSSYSA-N 196.254 1.286 10 10 ADCE C[C@@H](O)[C@@H]1CNc2ccccc2N1 2209208087 UVUGJGNXPADZDQ-XCBNKYQSSA-N 178.235 1.273 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@@H]2CCOC[C@@H]21 2297122726 LKVHUJPJDRQGBD-ACZMJKKPSA-N 153.185 1.579 10 10 ADCE C[C@H](N)CCc1ccc(O)c(O)c1 59957716 BKSXKHLJABSJGW-ZETCQYMHSA-N 181.235 1.378 10 10 ADCE N[C@H]1CCOc2sc(C=O)c(O)c21 82911787 KXUIAGNLGGLCHK-BYPYZUCNSA-N 199.231 1.049 10 10 ADCE CC1(O)CCN(CCCN=[N+]=[N-])CC1 88023006 QTIOOCWBXNBRBE-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE N[C@H](CC1CC1)c1cc(O)ccc1O 95659860 OEQHDZQIEUWOPV-SNVBAGLBSA-N 193.246 1.898 10 10 ADCE CC(C)CNC(=O)[C@H](C)N=[N+]=[N-] 104701574 IFJZMAPQDLLJCV-LURJTMIESA-N 170.216 1.457 10 10 ADCE COc1cccc(C(C)(C)N)c1O 107169259 KRGPTZXZNPPHIS-UHFFFAOYSA-N 181.235 1.595 10 10 ADCE CC(C)Oc1cccc(O)c1O 115121137 RDTDDIFNDUYDKQ-UHFFFAOYSA-N 168.192 1.885 10 10 ADCE COC(=O)CC(=O)[C@@H](C)CCN=[N+]=[N-] 137548755 HKWACOOGFVACBV-LURJTMIESA-N 199.210 1.455 10 10 ADCE [N-]=[N+]=NCCNC1CC1 164619950 OLGVEXRWZSTYTF-UHFFFAOYSA-N 126.163 1.049 10 10 ADCE NCC(=S)/C=C(\N)c1ccccc1 207180769 VYLAWYNOXHBRHV-POHAHGRESA-N 192.287 1.315 10 10 ADCE NC1(c2ccc(F)c(O)c2O)CC1 214323128 NIXXGIMKLAAZPG-UHFFFAOYSA-N 183.182 1.185 10 10 ADCE CN[C@@H](C)CCCNCCCN=[N+]=[N-] 216556905 DMFWZKJLTDZFOI-VIFPVBQESA-N 199.302 1.665 10 10 ADCE CC(C)=C[C@H](CO)N=[N+]=[N-] 220138165 HYAXDSJDOLHBNY-ZCFIWIBFSA-N 141.174 1.624 10 10 ADCE CNCc1c(O)cccc1F 221160791 LYBXXBNUQGRWGX-UHFFFAOYSA-N 155.172 1.251 10 10 ADCE COC(=N)c1ccc(O)c(O)c1 234496353 BWWNQZRLIFKZEB-UHFFFAOYSA-N 167.164 1.070 10 10 ADCE CCCCC[C@H](O)[C@H](O)CN=[N+]=[N-] 238239237 CIKCIXHRMZGUFK-JGVFFNPUSA-N 187.243 1.599 10 10 ADCE CC(=O)N(C)Cc1cc(C)ccc1O 238288433 PVCSRCVRLHZWDU-UHFFFAOYSA-N 193.246 1.679 10 10 ADCE C[C@H](N)c1cc2cccnc2cc1O 238440600 JPBPEKOKJGIJBO-ZETCQYMHSA-N 188.230 1.960 10 10 ADCE Cc1c(O)c(O)cc2c1CCC2 238535809 LRSHIOQIGISSCS-UHFFFAOYSA-N 164.204 1.895 10 10 ADCE CO[C@H]1CCN(CCN=[N+]=[N-])[C@@H](C)C1 300782971 VOIUHGBWRMMPAO-IUCAKERBSA-N 198.270 1.796 10 10 ADCE C[C@H]1OC(=O)/C(=C\O)[C@H]1C 307450047 NUSZIUPLMHUMPN-VUACRMHRSA-N 142.154 1.010 10 10 ADCE C[C@]1(C(=O)NCCN=[N+]=[N-])C[C@H]1F 399345951 KEIGHIBRILBFKM-VDTYLAMSSA-N 186.190 1.161 10 10 ADCE NC/C=C\c1ccc(Cl)c(O)c1O 687682407 IMYDHSWEYHBWGG-UPHRSURJSA-N 199.637 1.723 10 10 ADCE CC(=O)C(=O)[C@H](O)CCC[C@H]1C[C@@H]1C 1890516106 HKKTTYPYVWPFEW-UJNFCWOMSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CC2CC(O)C2)C1 1904760437 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[N-]=[N+]=N[C@@H](CO)c1nccs1 1535815918 MBOOEFCFUQMYEM-BYPYZUCNSA-N 170.197 1.487 10 10 ADCE NN[C@H](c1ccccc1O)[C@H]1C[C@H]1F 1884715557 PWHKAKZRODFWFS-QXFUBDJGSA-N 196.225 1.255 10 10 ADCE CNC[C@H](C)N(C)c1ccc(N)cc1 1888922531 GQABGYYFINHXNH-VIFPVBQESA-N 193.294 1.313 10 10 ADCE CC1(C)C[C@@H](N=[N+]=[N-])CO1 1893776351 PJNQEZMHTHMXRC-RXMQYKEDSA-N 141.174 1.864 10 10 ADCE [N-]=[N+]=NC1CN(CCCCCCO)C1 1912182783 GUGVBTUCOMKZHD-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE C[C@@H](N)c1ccc(N2CC(F)C2)cc1 1916501352 YOOQNUOAUXYRLU-MRVPVSSYSA-N 194.253 1.864 10 10 ADCE CN[C@@H](c1ccccc1O)[C@H](C)O 1929438277 KMCQNAXTKJMNLZ-OIBJUYFYSA-N 181.235 1.034 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@]12CC[C@@H]1C2 1935493016 GXXHIBNGZAYMIA-HTRCEHHLSA-N 180.211 1.213 10 10 ADCE C[S@@](=N)(=O)Cc1ccc(N)cc1 1953079990 KEIFBULMMPPUPG-GFCCVEGCSA-N 184.264 1.445 10 10 ADCE C[C@H]1C[C@@H](N)CN(CCCN=[N+]=[N-])C1 1957249198 ISOLYFBQVZNSIN-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE Oc1ccc(C2=CCCNC2)cc1O 33885192 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IOMJOQVVAMIOLN-SNVBAGLBSA-N 194.278 1.521 10 10 ADCE CCCN1CC[C@@H](N)[C@@H]1CN=[N+]=[N-] 711998317 FMLGQVYJWDCTDN-SFYZADRCSA-N 183.259 1.108 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1C[C@@H]1CCO1 1885289117 ZZOQWNHCILZRIF-BDAKNGLRSA-N 196.254 1.550 10 10 ADCE COCCCN1CCC[C@@H](N=[N+]=[N-])C1 1912207082 JENPVULIXCNBMI-SECBINFHSA-N 198.270 1.798 10 10 ADCE C[C@@]1(F)CCC(=O)C(=O)C1 1953173299 KRZDGHHEVKXZEO-SSDOTTSWSA-N 144.145 1.037 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@@H]2CC[C@@H]21 1956952079 DERWYKTXOYMNMU-YWVKMMECSA-N 196.246 1.086 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])C[C@H](C)N1 1957246526 BRVIUHPZPWCHTE-IUCAKERBSA-N 197.286 1.369 10 10 ADCE Cc1ccc(O)c([C@@H](NN)C2CC2)c1 2080473739 NBZBDKALRBJFLJ-NSHDSACASA-N 192.262 1.615 10 10 ADCE C[C@H](CO)CC1CN(CCN=[N+]=[N-])C1 2210011733 IXCFITCKKWWIJZ-QMMMGPOBSA-N 198.270 1.247 10 10 ADCE C[C@@H](O)c1ccc(O)c(O)c1 13340450 LOXKYYNKSCBYLB-RXMQYKEDSA-N 154.165 1.151 10 10 ADCE C[C@@H](N)c1ccc(N(C)CCO)cc1 37899409 VLLQELCHNHIHQL-SECBINFHSA-N 194.278 1.135 10 10 ADCE CCC(=O)C=S(C)C 238193771 KHCHLJJXAJGKLF-UHFFFAOYSA-N 132.228 1.296 10 10 ADCE CSc1ccc(CN)c(O)c1 238414600 ONIPRAIQVGNLKN-UHFFFAOYSA-N 169.249 1.573 10 10 ADCE COC(=O)Cc1cc(O)c(O)cc1C 259836301 PCINLFOKXGZFPT-UHFFFAOYSA-N 196.202 1.122 10 10 ADCE Nc1ccc(CC(=O)N2CCC2)cc1 306679094 BCXQCSRIGQSBAG-UHFFFAOYSA-N 190.246 1.044 10 10 ADCE Nc1sc2ccc(CO)cc2c1O 307121058 IRMLLYKYQVHHGL-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE CCOC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403794420 WISKRMCQUGQNLT-SSDOTTSWSA-N 198.226 1.918 10 10 ADCE Oc1ccccc1CNOCC1CC1 711222394 KDUPMPRJEYIBGA-UHFFFAOYSA-N 193.246 1.823 10 10 ADCE N#CN1CC[C@@H](CN=[N+]=[N-])C1 885239540 SJJBBFHQGFABSY-LURJTMIESA-N 151.173 1.100 10 10 ADCE [N-]=[N+]=NC[C@@H]1NC[C@@H](C2CCC2)O1 885408849 VXJJKWHIOUINBS-JGVFFNPUSA-N 182.227 1.411 10 10 ADCE Cn1cnc(Cl)c1CCN=[N+]=[N-] 1536197116 OWZMGNIYCJZDHZ-UHFFFAOYSA-N 185.618 1.926 10 10 ADCE C[C@H](N)CC=Cc1nccn1C 1886515470 NWACCUHLTATXMK-QMMMGPOBSA-N 165.240 1.171 10 10 ADCE CO[C@@H]1C[C@H]1NCc1ccc(N)cc1 1887340177 SGRLCRVEJQYEFA-GHMZBOCLSA-N 192.262 1.146 10 10 ADCE NC[C@@H](Nc1ccccc1N)C1CC1 1888904564 CAJJLPAEMYFUEL-LLVKDONJSA-N 191.278 1.418 10 10 ADCE [N-]=[N+]=NC1CN(CC2=CCCOC2)C1 1893800516 RMQUGEWQMOQRAZ-UHFFFAOYSA-N 194.238 1.328 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN(CCF)C1 1912164719 YCPUEPBWDUVVBT-SSDOTTSWSA-N 172.207 1.731 10 10 ADCE Cc1nocc1CN1CC(N=[N+]=[N-])C1 1912176556 AQBHWTMMTICLJO-UHFFFAOYSA-N 193.210 1.478 10 10 ADCE [N-]=[N+]=NC1CCN(C(=O)C2CC2)CC1 1912193292 NBFFOENQBYOIEU-UHFFFAOYSA-N 194.238 1.698 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@]12CC[C@@H]1C2 1935499111 DSNWNNAOUJLEAC-APPZFPTMSA-N 194.238 1.555 10 10 ADCE OCCC=Cc1ccc(O)c(O)c1O 1951648381 MMERDMUGQFYLCF-UHFFFAOYSA-N 196.202 1.199 10 10 ADCE O=C1OCC[C@H]1c1ccc(O)c(O)c1 1951736937 SIZIDKSNWYHNJM-ZETCQYMHSA-N 194.186 1.128 10 10 ADCE CCOc1ccc([C@H](C)N)c(O)c1 24863169 SNYAMCFIHYDFNU-ZETCQYMHSA-N 181.235 1.811 10 10 ADCE CCN(CC)/N=N/N(C)C 33840551 ACWGYOPNCRGEKM-BQYQJAHWSA-N 144.222 1.172 10 10 ADCE COc1ccc(O)c(CN(C)C)c1 39246843 DALDKLLZFGAGLB-UHFFFAOYSA-N 181.235 1.462 10 10 ADCE COCCN(C)CCCN=[N+]=[N-] 42460089 QJNFYLPVKXBXSP-UHFFFAOYSA-N 172.232 1.265 10 10 ADCE CCc1cccc([C@H](N)CCO)c1O 95717100 FEBLXRQMAMXPCH-SNVBAGLBSA-N 195.262 1.337 10 10 ADCE CC(=O)O[C@H]1[C@H](N=[N+]=[N-])C=CO[C@@H]1C 196733176 QBTMAHFTNMULDZ-LPBLVHEISA-N 197.194 1.529 10 10 ADCE COc1cc(O)c(O)cc1[N+](=O)[O-] 215964351 UZVBZFJJWNUIIE-UHFFFAOYSA-N 185.135 1.015 10 10 ADCE CC(=O)N[C@H](C)c1ccc(F)cc1O 238373024 IKYHAUHIDVPLED-ZCFIWIBFSA-N 197.209 1.728 10 10 ADCE C[C@@H](CF)NCc1ccc(O)cc1O 381628677 KJLQNAXCXXDIBX-ZETCQYMHSA-N 199.225 1.545 10 10 ADCE C[C@@H]1c2c(O)cccc2[C@@H](O)CN1C 504373315 QHBRAZPZFNVIKN-XCBNKYQSSA-N 193.246 1.432 10 10 ADCE in-vitro NN=NC/C=C\Br 686246780 DROLUZNVSIXBAW-UPHRSURJSA-N 164.006 1.221 10 10 ADCE C[C@@H]1COC[C@@H]1Oc1ccc(N)cc1 703614360 PMAFWRGQPWSVOV-KCJUWKMLSA-N 193.246 1.683 10 10 ADCE CC1(C)[C@H](N)[C@@H]1c1ccc(O)c(O)c1 1535866879 APBWBWSMPFSTNP-VHSXEESVSA-N 193.246 1.549 10 10 ADCE Nc1ccc(N[C@H]2COC[C@H]2F)cc1 1884649366 AVJRLUOZJAMILS-ZJUUUORDSA-N 196.225 1.418 10 10 ADCE N#CN1CCC[C@H](N=[N+]=[N-])CC1 1934375975 GPPSZRKEIZJIBF-ZETCQYMHSA-N 165.200 1.632 10 10 ADCE [N-]=[N+]=NC[C@H]1CNC2(CCC2)CO1 1935392034 JJCXHDYOGXFTMM-SSDOTTSWSA-N 182.227 1.208 10 10 ADCE CC(=O)C(=O)[C@H](O)c1cc(C)cs1 1954370217 FNUMRPPKXZTMOA-SECBINFHSA-N 198.243 1.248 10 10 ADCE [N-]=[N+]=NCCCCN1CCC[C@@H]1CN 1957250062 NMRLTQAZJHBUEN-SECBINFHSA-N 197.286 1.500 10 10 ADCE OCCCc1ccc(O)c(O)c1 13108132 DPTPQXXDBLPEOP-UHFFFAOYSA-N 168.192 1.023 10 10 ADCE CCO[P@](=O)(O)[C@H](C)N=[N+]=[N-] 90469815 PRVZAUHRSXQTPF-SCSAIBSYSA-N 179.116 1.865 10 10 ADCE CC1([C@H](N=[N+]=[N-])C(=O)O)CC1 202566315 UVOFLGDPXJDRFU-SCSAIBSYSA-N 155.157 1.550 10 10 ADCE C/C=C(\C(=O)O)[C@H](C)N=[N+]=[N-] 220866073 TXHSQPZMCJELRA-BNWFAOCJSA-N 155.157 1.716 10 10 ADCE CC(C)(N)c1cc(CN)ccc1O 238148230 ICJROMUGOZSXDA-UHFFFAOYSA-N 180.251 1.045 10 10 ADCE CCN(CCNC)c1ccc(N)cc1 238250697 XNMIDCHOVSFXFM-UHFFFAOYSA-N 193.294 1.315 10 10 ADCE C[C@H]1CN[C@@](C)(c2ccccc2O)O1 238443788 PQYCAMIXFUDNRW-GZMMTYOYSA-N 193.246 1.573 10 10 ADCE Nc1cc(F)c(O)c([C@H]2CCN2)c1 238599351 ZHHPCCRCCWPUMT-MRVPVSSYSA-N 182.198 1.148 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@@H](C(=O)O)C1 238627338 ANXTZBKYJPLOTP-RFZPGFLSSA-N 153.141 1.326 10 10 ADCE CN1CC(CNc2ccc(N)cc2)C1 306833844 QIGPWGRRUQKSRV-UHFFFAOYSA-N 191.278 1.242 10 10 ADCE [N-]=[N+]=NCCNC(=O)NCC1CC1 700988350 UBYYNCPSVNFABA-UHFFFAOYSA-N 183.215 1.006 10 10 ADCE C[C@@H]1C[C@@H](O)CCN1CCN=[N+]=[N-] 706114310 JONBOHCFGRHLQG-SFYZADRCSA-N 184.243 1.142 10 10 ADCE OCc1ccc(N2CC[C@H]3C[C@@H]32)cc1 706969306 AWOUUFFQYYAUJJ-JQWIXIFHSA-N 189.258 1.778 10 10 ADCE CNC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 885854037 LNUFQNKWXYGLMV-ZETCQYMHSA-N 197.242 1.348 10 10 ADCE [N-]=[N+]=N[C@@H](CO)CC(F)(F)F 1536061167 AGRMEGVIPYJXPH-GSVOUGTGSA-N 169.106 1.610 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1CCF 1880797926 VXZRWIOXNCPGPL-SSDOTTSWSA-N 172.207 1.731 10 10 ADCE [N-]=[N+]=NCCCCN1CC[C@@H]1CO 1912177757 HOVFJLDDMTYSNJ-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE Cc1ccc(O)c([C@H](N)C2(O)CC2)c1 1952430096 QWMACGCYELSCHS-JTQLQIEISA-N 193.246 1.225 10 10 ADCE Oc1ccc(F)cc1[C@H]1C[C@H](F)CN1 1952883582 NJDMRILJIDHAPG-IONNQARKSA-N 199.200 1.904 10 10 ADCE [N-]=[N+]=N[C@@H]1CC2(CC[C@@H]1O)CC2 1953690256 NQZHHBUNDJRKEV-RQJHMYQMSA-N 167.212 1.990 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1[C@@H](CN)C2 1957248818 GILOTJIEFDKTDH-VGMNWLOBSA-N 195.270 1.108 10 10 ADCE C[C@H]1[C@H](O)C[C@@H](C)CN1CCN=[N+]=[N-] 2209756199 BOQMLDLJCUSIHH-HRDYMLBCSA-N 198.270 1.388 10 10 ADCE CCn1c(/C=C/CCN)nc(C)c1C 2209984923 DSCAKGOPTJVEOL-FNORWQNLSA-N 193.294 1.882 10 10 ADCE Cc1ccc(O)c2c1CC[C@H]2N 26162449 UGWOTOVUNUJRNY-MRVPVSSYSA-N 163.220 1.647 10 10 ADCE C[C@H]1C(=O)C(=O)c2ccccc21 34528706 LBFDBMPNXSTBNJ-ZCFIWIBFSA-N 160.172 1.556 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])CCN1C 82484375 VQZFHFIMJATPNH-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CCC[C@@H](C)/C=C1/C(=O)NN=C1C 90416240 HLNVWNDOYZNXIC-TUOMEMKJSA-N 180.251 1.855 10 10 ADCE CN[C@@H](C)c1cccc(OC)c1O 107169267 UDIIVLAITWMLSN-ZETCQYMHSA-N 181.235 1.681 10 10 ADCE C[C@H](N)C[C@H](C)c1ccc(O)c(O)c1 107429807 ODPRRIIAKGRNAL-YUMQZZPRSA-N 195.262 1.939 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)N[C@H]1c1ccccc1 136554406 INUNOMSWEWVFHI-JGVFFNPUSA-N 188.190 1.536 10 10 ADCE CCCC[C@H](N=[N+]=[N-])C(N)=O 138767660 ZTLODIYMRRKORX-YFKPBYRVSA-N 156.189 1.341 10 10 ADCE NCc1ccc(N2CCCC2)cc1F 168965717 GLUGRRZROXAPAN-UHFFFAOYSA-N 194.253 1.885 10 10 ADCE CC[C@H](N)c1cc(C)cc(C=O)c1O 211709885 WCIXZFKZSUNPGE-JTQLQIEISA-N 193.246 1.923 10 10 ADCE C[C@@H]1CC(=O)C(=O)C[C@H]1C 223707595 NYGUAIUIFILRLS-PHDIDXHHSA-N 140.182 1.191 10 10 ADCE COc1cccc(/N=N/C(N)=O)c1 238358412 VZBWKRFWDOVWMS-ZHACJKMWSA-N 179.179 1.858 10 10 ADCE C[C@@]1(CCN=[N+]=[N-])CO1 238490293 LNEAVZKVSQPDTH-RXMQYKEDSA-N 127.147 1.476 10 10 ADCE OC[C@@H]1CCN[C@@H]1c1ccccc1O 257847199 NWKCKYBDZJZXTQ-KWQFWETISA-N 193.246 1.035 10 10 ADCE CC1=CNC=C/C1=C(/O)N=N 306251451 QSNXGZSPMQKYJN-YFWNPAQZSA-N 151.169 1.808 10 10 ADCE CNC(=O)CC[C@@H](C)N=[N+]=[N-] 307683302 GWJJVQOLUVSBPA-RXMQYKEDSA-N 156.189 1.211 10 10 ADCE Nc1ccc(COC2CC2)cc1 713287364 VZNDRZYNXQVRTC-UHFFFAOYSA-N 163.220 1.948 10 10 ADCE Cn1ccc2c([C@H](O)CN)cccc21 1535795607 CEQTUFPDDHINRQ-LLVKDONJSA-N 190.246 1.170 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1C[C@@H]1F 1887712456 LUQJMAHMUFBRSF-YUMQZZPRSA-N 186.234 1.977 10 10 ADCE C[C@H]1C[C@H](O)[C@H](C)CN1CCN=[N+]=[N-] 1912161558 KTEFSNHNJPFYGN-VGMNWLOBSA-N 198.270 1.388 10 10 ADCE Oc1cccc([C@@H]2NCC[C@H]2F)c1O 1952823548 MBYOAPNZSZAJPH-APPZFPTMSA-N 197.209 1.470 10 10 ADCE CC[C@@H](C)C(=O)[C@H]1CCCC(=O)C1=O 1956239103 ALGZOYDHEFLKRU-HTQZYQBOSA-N 196.246 1.540 10 10 ADCE CCCN(CCN=[N+]=[N-])C[C@H](C)O 2242075649 NFMXKBMHTOGXRF-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE COC[C@H](C)NCc1ccc(N)cc1 83342158 KIOGFGGAVKYMAR-VIFPVBQESA-N 194.278 1.393 10 10 ADCE CN(C)Cc1ccc(N(C)C)c(N)c1 140223453 DGWXGZPUYHIYMQ-UHFFFAOYSA-N 193.294 1.396 10 10 ADCE C[C@@H](CO)COCc1ccc(N)cc1 161781229 VJYXMDSSDKZEFU-VIFPVBQESA-N 195.262 1.414 10 10 ADCE COC(=O)[C@@H](CCN=[N+]=[N-])N=[N+]=[N-] 238349257 CXHWOUOQXGCEKX-SCSAIBSYSA-N 184.159 1.539 10 10 ADCE Oc1ccc([C@@H]2CO2)c(Cl)c1O 238728990 ZHRNRMMQJRWMHI-LURJTMIESA-N 186.594 1.823 10 10 ADCE Nc1cc(-c2cccc(O)c2O)no1 257947819 AQJGANVPRUEYLO-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE CC(C)N1CCc2cc(CN)ccc21 258005476 GHQKATYMECVHDF-UHFFFAOYSA-N 190.290 1.916 10 10 ADCE [N-]=[N+]=NC[C@@H](O)CN1CCCCCC1 389237058 WPFLQWGHUYMYMR-SECBINFHSA-N 198.270 1.534 10 10 ADCE C[C@H](CF)NCCc1ccc(N)cc1 702609154 WGGAWLGUHNCETD-SECBINFHSA-N 196.269 1.759 10 10 ADCE CNCCSc1ncc(N)s1 1880402696 IPNDVGGLHXKDIC-UHFFFAOYSA-N 189.309 1.037 10 10 ADCE CN(c1ccc(N)cc1)[C@H]1C[C@H](O)C1 1885255802 FDAMKAZLPPFLNI-XYPYZODXSA-N 192.262 1.228 10 10 ADCE Cc1cccc(CN[C@@H]2C[C@H]2F)c1O 1887536254 IPRDLBZBXZKQLF-NXEZZACHSA-N 195.237 1.901 10 10 ADCE Oc1cccc(O)c1[C@@H]1NCC[C@H]1F 1952824908 FREQNVSOHACPPD-LHLIQPBNSA-N 197.209 1.470 10 10 ADCE Oc1ccccc1CNC[C@@H]1CCO1 1955411892 UIMWPYMHVVTUNT-JTQLQIEISA-N 193.246 1.271 10 10 ADCE Oc1ccc(CNCC2CC2)cc1O 19884711 GUBSJVHKDVDFGM-UHFFFAOYSA-N 193.246 1.597 10 10 ADCE Cc1cc(CN)c(O)c2c1CCC2=O 34102709 NDPGJINNPPRNKX-UHFFFAOYSA-N 191.230 1.288 10 10 ADCE CCCn1ncnc1CN=[N+]=[N-] 83980015 KTODFDBLEOVAIS-UHFFFAOYSA-N 166.188 1.498 10 10 ADCE COC(=O)c1csc(Cl)c1O 84226313 PHUWIJRYNXOQQZ-UHFFFAOYSA-N 192.623 1.894 10 10 ADCE COc1ccc([C@@H](C)N)c(O)c1C 212028720 JNVJBZWSZGHUJE-SSDOTTSWSA-N 181.235 1.729 10 10 ADCE CCCC(=O)OC[C@H](CO)N=[N+]=[N-] 213750882 ZUFRFHVOXUCCCV-LURJTMIESA-N 187.199 1.001 10 10 ADCE CC[C@@H](N)c1cc(OC)cc(O)c1O 238276763 JDJYMFCBMMSGAA-MRVPVSSYSA-N 197.234 1.516 10 10 ADCE CC[C@@H]1CN(CCCN=[N+]=[N-])C[C@@H]1O 399893326 ZBWJFRYBZXVTFJ-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE COC[C@@H]1CCCN1CCCN=[N+]=[N-] 696537744 WHBSYNZWUGSHFD-VIFPVBQESA-N 198.270 1.798 10 10 ADCE Cc1nn(C)c(C)c1CN=[N+]=[N-] 1535780156 PIIZWRDHHBLBTI-UHFFFAOYSA-N 165.200 1.847 10 10 ADCE CC[C@]1(C)[C@H](O)CCN1CCN=[N+]=[N-] 1887280927 JPOVEMQASZGSSF-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE COC[C@@H]1CC[C@H]1N(C)CCN=[N+]=[N-] 1906875402 DQHZZSMJEWYLKX-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE CCC[C@]1(O)CCN(CCN=[N+]=[N-])C1 1912157940 UGOIDGGUBHGCSL-VIFPVBQESA-N 198.270 1.534 10 10 ADCE CC[C@](O)(C(=O)C(C)=O)c1ccco1 1918505113 OWNLHRYWHHKOPT-SNVBAGLBSA-N 196.202 1.035 10 10 ADCE CC[C@@H](N)Cc1cccc(O)c1O 44399491 SSLZYHLJZCSOJY-MRVPVSSYSA-N 181.235 1.378 10 10 ADCE Cc1scc(C=O)c1O 84230344 KMUSHCPMCDFPRN-UHFFFAOYSA-N 142.179 1.575 10 10 ADCE CC(C)OC[C@H](CO)N=[N+]=[N-] 138542168 ZZRATGGUCCHLQZ-LURJTMIESA-N 159.189 1.083 10 10 ADCE COc1ccc(CN(C)C)c(O)c1 142220486 ATRAEXFNXQWTME-UHFFFAOYSA-N 181.235 1.462 10 10 ADCE C[C@]12CCC[C@](C)(C1)C(=O)C2=O 142244209 KNXKMUBJLQLYQE-AOOOYVTPSA-N 166.220 1.725 10 10 ADCE CCCCCCC(=O)C=[N+]=[N-] 149441082 CKAGCCYVUFSOSO-UHFFFAOYSA-N 154.213 1.827 10 10 ADCE CC1(C)C(=O)c2ccc(N)cc2C1=O 238195349 YNVMSZBGQRJQDQ-UHFFFAOYSA-N 189.214 1.674 10 10 ADCE CS[C@@H](CN=[N+]=[N-])COC(C)=O 238393756 RMZBIVHYKIZFIW-LURJTMIESA-N 189.240 1.591 10 10 ADCE c1c[nH]c(N=Nc2ncc[nH]2)n1 382570711 MJKDQDZHUIFGLN-UHFFFAOYSA-N 162.156 1.548 10 10 ADCE Cn1ccnc1/C=C1/CC[C@H](N)C1 575560735 MUBJHCIXQMNEOJ-FUOZMLNRSA-N 177.251 1.315 10 10 ADCE [N-]=[N+]=N[C@@H](O)c1ccc([N+](=O)[O-])cc1 687749841 KUMGOHDHVQVJKI-ZETCQYMHSA-N 194.150 1.896 10 10 ADCE CCCC1CC(O)(C(=O)C(C)=O)C1 1882248546 AWBHMBFRUDFNEU-UHFFFAOYSA-N 184.235 1.086 10 10 ADCE CN(CCCCN=[N+]=[N-])CC1(N)CC1 1885056320 RBKFYOVJDCGQNS-UHFFFAOYSA-N 197.286 1.500 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H]1CCC(C)(C)C1 1890582651 HQOFLPJLDUADSD-WCBMZHEXSA-N 198.262 1.332 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]2C[C@@H]21 1912157988 ZXADETPTGWMBAL-SFYZADRCSA-N 166.228 1.781 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1cncs1 1934623546 ZDUHGIDGEQLGHF-SCSAIBSYSA-N 170.197 1.487 10 10 ADCE CN[C@@H](COC)c1cc(O)ccc1O 1951844695 RYAKRQWGTOQUPA-VIFPVBQESA-N 197.234 1.005 10 10 ADCE CCc1cc(O)c(CO)s1 2080412253 AGDNRRAGGYSAQJ-UHFFFAOYSA-N 158.222 1.508 10 10 ADCE Cc1sc(CN)c(O)c1C 2208926776 ZTTGVEGIZVMDCI-UHFFFAOYSA-N 157.238 1.529 10 10 ADCE CC[C@H]1[C@H](O)CCN1CCCN=[N+]=[N-] 2242160684 VSJXNMXZNLGPJI-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1ccc(N)cc1 38363562 ACKFHCBVNGTLOT-UHFFFAOYSA-N 198.207 1.268 10 10 ADCE C[C@@H](N)c1cc(CC(=O)O)ccc1O 104451443 DULCIQVPGZZSNN-ZCFIWIBFSA-N 195.218 1.039 10 10 ADCE CO[C@@H](CN=[N+]=[N-])OCCCCO 135711226 HORRQGMWBYSXPB-SSDOTTSWSA-N 189.215 1.058 10 10 ADCE C[C@H](N)c1cc(Cl)c(N)cc1O 238417917 BPBYOWJEOXIABF-BYPYZUCNSA-N 186.642 1.648 10 10 ADCE C[C@@H](N)c1cc(Cl)c(O)cc1O 238420013 VYGJLVASTCVAMH-SCSAIBSYSA-N 187.626 1.771 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H](c2ccco2)OC1=O 238595445 BTUAIPMRNZQADF-VDTYLAMSSA-N 193.162 1.947 10 10 ADCE Nc1c(F)cc2c(c1O)[C@@H](N)CC2 238626343 NCOSKLYFIFENJR-LURJTMIESA-N 182.198 1.060 10 10 ADCE CN1C(=O)CCc2cc(O)c(O)cc21 257874670 FXDHSYCOKNXFHI-UHFFFAOYSA-N 193.202 1.007 10 10 ADCE Cc1cc(F)c(O)c([C@H](N)CF)c1 307225811 DVFQCWYHXHVKIU-MRVPVSSYSA-N 187.189 1.809 10 10 ADCE CCO/C(O)=C1/SC=NC1=O 307262321 RZTWWRWVROOALO-GQCTYLIASA-N 173.193 1.052 10 10 ADCE Nc1ccc(CCCN2CCC2)cc1 308549709 RFPKDDZYJBKMMH-UHFFFAOYSA-N 190.290 1.907 10 10 ADCE Nc1ccc(O[C@H]2CC[C@@H]2O)cc1 575593287 AAGXJWZZEQUFPS-UWVGGRQHSA-N 179.219 1.171 10 10 ADCE CNCCSCCCN=[N+]=[N-] 1880403760 YCKOVNVRGBBTQN-UHFFFAOYSA-N 174.273 1.639 10 10 ADCE Nc1ccc(CN[C@@H]2C[C@@H]2F)cc1 1882869440 VXUBOHPSELLICA-VHSXEESVSA-N 180.226 1.469 10 10 ADCE COCCCN1CCC[C@@H]1CN=[N+]=[N-] 1885287029 NVQNDTBIUZNIHO-SECBINFHSA-N 198.270 1.798 10 10 ADCE Cc1nscc1[C@@H](O)CN=[N+]=[N-] 1912158001 ZZNJXHKLUOXGMS-LURJTMIESA-N 184.224 1.795 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC(C)(C)C[C@H]1C 1929142232 UVHGRNCCLDXZMB-HQJQHLMTSA-N 198.262 1.332 10 10 ADCE C[C@H]1C[C@@H](CO)CN1CCCN=[N+]=[N-] 1934981612 RSVDJMICVDMLTK-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE Cn1ccc2c(C(=O)CN)cccc21 76632991 YEEGJHYFJSXJRX-UHFFFAOYSA-N 188.230 1.320 10 10 ADCE CC(=O)N1C=Cc2cccc(O)c2C1 77269865 TUUVXGSFDPJZOQ-UHFFFAOYSA-N 189.214 1.725 10 10 ADCE in-vitro CC(C)(N)c1ccc(F)cc1O 82854347 IWVSRRCZUJVHNO-UHFFFAOYSA-N 169.199 1.725 10 10 ADCE Cc1ccc(O)c(CN)c1C 108282139 VSYYOSUMBQANGJ-UHFFFAOYSA-N 151.209 1.468 10 10 ADCE CC[C@@H](N=[N+]=[N-])C(=O)OC 108412446 CNOFNGFUKFZGQZ-SCSAIBSYSA-N 143.146 1.248 10 10 ADCE CCc1cc(C(C)=O)cc(O)c1O 224559345 XANXZTCOAVXCMM-UHFFFAOYSA-N 180.203 1.863 10 10 ADCE CCOC(=O)c1cc(O)c(O)cc1C 238259401 XPJYXMOETAOMOY-UHFFFAOYSA-N 196.202 1.583 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccc(N)cc1 238579799 XWLBBWRZTCSNEK-UHFFFAOYSA-N 176.179 1.762 10 10 ADCE Oc1cscc1[C@H]1CCCN1 238676480 WJWASQQKKWIOPS-SSDOTTSWSA-N 169.249 1.878 10 10 ADCE NC1(Cc2cc(O)c(O)c(F)c2)CC1 257945726 AGTBFCRLBAJUJW-UHFFFAOYSA-N 197.209 1.271 10 10 ADCE C[C@H](CO)c1c(F)ccc(O)c1O 258011471 HKWBQSKIWRCKTF-RXMQYKEDSA-N 186.182 1.333 10 10 ADCE C[C@@H](O)c1c(Cl)ccc(O)c1O 258123770 QTUNPHKLEHCIPR-SCSAIBSYSA-N 188.610 1.805 10 10 ADCE C[C@@H](NCCF)c1ccc(O)cc1O 308562023 WNGPRMGOFVYLIG-SSDOTTSWSA-N 199.225 1.718 10 10 ADCE C[C@@H]1COC[C@@H]1Nc1ccc(N)cc1 699499339 GREYNXDAYUCRPW-KCJUWKMLSA-N 192.262 1.716 10 10 ADCE COc1cc(CN=[N+]=[N-])ccn1 1535658930 CEFHVSZYEDMPNC-UHFFFAOYSA-N 164.168 1.901 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@H]1CCCS1 1535764714 BLLFVSZUXCGADU-WDSKDSINSA-N 173.241 1.553 10 10 ADCE CCn1nccc1CCN=[N+]=[N-] 1535779034 RBDHQYLBGWOIRI-UHFFFAOYSA-N 165.200 1.756 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCC2(CNC2)O1 1883914099 CADHTVROONZOAT-ZETCQYMHSA-N 182.227 1.208 10 10 ADCE CON(C)CCCCN=[N+]=[N-] 1912170575 YWIWGGQNDLBVBV-UHFFFAOYSA-N 158.205 1.570 10 10 ADCE Oc1ccc([C@H](O)C2CC2)c(O)c1O 1951380827 CSDNTGSCUHJPKL-MRVPVSSYSA-N 196.202 1.247 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1CC[C@@H]1N 1954207631 YVYISRPWRJCNBQ-YUMQZZPRSA-N 183.259 1.108 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@H]1[C@@H]2N 1957245646 ZHYMKZYZFOLVLE-HRDYMLBCSA-N 195.270 1.108 10 10 ADCE CCOC(=O)CCOCCN=[N+]=[N-] 2070219608 WOLJFPOBEGZTTB-UHFFFAOYSA-N 187.199 1.267 10 10 ADCE Oc1ccc(S)c(S)c1O 35328954 UIUMXCQKGIFORB-UHFFFAOYSA-N 174.246 1.675 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H]2CC(=O)O[C@@H]12 39038392 HHMUXVSLVVLBLC-KZLJYQGOSA-N 165.152 1.167 10 10 ADCE C[C@H]1C[C@@]1(N)c1ccc(N(C)C)cc1 84351031 ODDIVRWHBHCIBK-CABZTGNLSA-N 190.290 1.946 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)N[C@@H]1c1ccccc1 136554286 INUNOMSWEWVFHI-SFYZADRCSA-N 188.190 1.536 10 10 ADCE CSCCN(C)CCCN=[N+]=[N-] 157143050 FADGXTBKVUSNPJ-UHFFFAOYSA-N 188.300 1.982 10 10 ADCE CC[C@@H](N)c1cc(C(=O)O)ccc1O 238271367 HXVGNQWNQIBDHG-MRVPVSSYSA-N 195.218 1.500 10 10 ADCE COC(=O)[C@@H](CCCN=[N+]=[N-])N=[N+]=[N-] 238348735 PCNHVIBTKXPRIG-RXMQYKEDSA-N 198.186 1.929 10 10 ADCE Cc1cc(O)c(C2(N)CC2)cc1O 257942370 DITQTJSKWIUNJK-UHFFFAOYSA-N 179.219 1.354 10 10 ADCE Nc1ccc(C[C@@H]2CCOC2)cc1 257943296 VGQSXBJTBUASSC-JTQLQIEISA-N 177.247 1.848 10 10 ADCE COC[C@]1(C)CCN(CCN=[N+]=[N-])C1 381407463 WXIOLJZPRZADMA-SECBINFHSA-N 198.270 1.655 10 10 ADCE O=C1CCC2(CC2)CC1=O 575513031 XHBJSMKOLFTHGW-UHFFFAOYSA-N 138.166 1.089 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2COCC[C@@H]21 885815019 WZZISCRVKGFWCW-IUCAKERBSA-N 196.254 1.408 10 10 ADCE [N-]=[N+]=NCCN1CC2(CC(CO)C2)C1 1886845319 VZWTXIHJCMBMDF-UHFFFAOYSA-N 196.254 1.001 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@H]2C1=O 1912153653 CVTKWQARUGBVFH-HTQZYQBOSA-N 194.238 1.555 10 10 ADCE [N-]=[N+]=NC1CN(Cc2cncs2)C1 1912168916 XUSNMNIURKDOPK-UHFFFAOYSA-N 195.251 1.638 10 10 ADCE CN1CCC[C@H]1CN1CC(N=[N+]=[N-])C1 1912175359 KZPBKSFEJQVQTF-VIFPVBQESA-N 195.270 1.075 10 10 ADCE N#CN1CCC(N=[N+]=[N-])CC1 1912192595 HXTZEERXOQCAFZ-UHFFFAOYSA-N 151.173 1.242 10 10 ADCE NN[C@H](CC1CC1)c1ccccc1O 1928481458 WOHCZIVNUDEOMI-SNVBAGLBSA-N 192.262 1.697 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCCC1(C)C 1929171085 YOBRPCRFBGWEQS-JTQLQIEISA-N 184.235 1.086 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])CCO1 42415975 NGJSPTGFULKYPR-UHFFFAOYSA-N 184.243 1.408 10 10 ADCE CC(C)C(=O)C(=O)c1ccco1 167537294 UDFBBCMINFCOKR-UHFFFAOYSA-N 166.176 1.687 10 10 ADCE NC1(c2ccc(F)cc2O)CC1 221207568 YIFKFZIGHSAFLV-UHFFFAOYSA-N 167.183 1.479 10 10 ADCE CN(C)c1ccc2c(c1)C(=O)C[C@H]2N 238331013 OJCBBIAIJTVAHK-SNVBAGLBSA-N 190.246 1.339 10 10 ADCE C[C@@H](O)[C@@H](C)Nc1c(N)cccc1F 307603665 UGOZKTZRTQJKKX-RNFRBKRXSA-N 198.241 1.589 10 10 ADCE CCNC(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403783404 QPYGWFNJSDKAFO-SSDOTTSWSA-N 197.242 1.491 10 10 ADCE CC(C)(F)[C@@H](CO)N=[N+]=[N-] 1535743514 JKTSGSBHQGKHAS-SCSAIBSYSA-N 147.153 1.406 10 10 ADCE Cc1cnc(CCN=[N+]=[N-])cn1 1535862958 CXZACCQEMBILPD-UHFFFAOYSA-N 163.184 1.638 10 10 ADCE CN(O)Cc1cc([N+](=O)[O-])ccc1O 1535865908 CANHLYDNNVVTIL-UHFFFAOYSA-N 198.178 1.121 10 10 ADCE CC(C)(C(F)F)[C@H](O)CN=[N+]=[N-] 1881236479 GADVEIYAQVCJKG-SCSAIBSYSA-N 179.170 1.949 10 10 ADCE Nc1ccc(N[C@@H]2COC[C@@H]2F)cc1 1884649365 AVJRLUOZJAMILS-VHSXEESVSA-N 196.225 1.418 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C(=O)C2(F)CC2)C1 1905696206 PHUVXPACTSJHOZ-ZCFIWIBFSA-N 198.201 1.400 10 10 ADCE [N-]=[N+]=NCc1cnc(O)cc1O 1951666796 MRKYNJHDCNAEMX-UHFFFAOYSA-N 166.140 1.303 10 10 ADCE C[C@@H](N)[C@H](N=[N+]=[N-])c1ccncc1 1954080810 DSVJHDNQECWKBH-SVRRBLITSA-N 177.211 1.780 10 10 ADCE C[C@H]1C[C@H](CO)CCN1CCN=[N+]=[N-] 1956957217 KYVPMOBXPURARU-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@H]1CC12CCC2 2241552607 RBQVKRCWBDSROD-RQJHMYQMSA-N 167.212 1.848 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@H]1CCO 42415822 FYPZUNTUBVBKNI-VIFPVBQESA-N 198.270 1.534 10 10 ADCE C[C@H]1CN(C)Cc2cc(O)c(O)cc21 169328766 XGSHIKHACUWFTP-ZETCQYMHSA-N 193.246 1.647 10 10 ADCE Cc1cc(CN(C)O)c(O)cc1O 214327554 NODDNXKYCJZSKE-UHFFFAOYSA-N 183.207 1.227 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCOC1 218190545 FYMHCUGEGYGOBK-ZCFIWIBFSA-N 141.174 1.723 10 10 ADCE [N-]=[N+]=N[C@H](c1cccs1)[C@H](O)CO 218644551 JTDMMWFDLRADBF-VDTYLAMSSA-N 199.235 1.453 10 10 ADCE CC1(C)NCc2cccc(O)c21 219367261 IGJDONAUQKVSTE-UHFFFAOYSA-N 163.220 1.731 10 10 ADCE CC(C)(CO)COc1ccc(N)cc1 221249348 MYCFLABODDSVHO-UHFFFAOYSA-N 195.262 1.666 10 10 ADCE [N-]=[N+]=NCC(CN=[N+]=[N-])C(=O)O 224777634 MRWUXGBLILLJPJ-UHFFFAOYSA-N 170.132 1.308 10 10 ADCE NC1(c2cccc(CO)c2O)CCC1 238567818 IWBITXBRPCFHQO-UHFFFAOYSA-N 193.246 1.222 10 10 ADCE [N-]=[N+]=CC(=O)Cn1ccc2ccccc21 238588520 GCVBRCRXCYCHAD-UHFFFAOYSA-N 199.213 1.511 10 10 ADCE CN(C)[C@@H]1CCNc2cccc(O)c21 257813304 CBPWGJSNMPMREL-SECBINFHSA-N 192.262 1.811 10 10 ADCE CN[C@H](C)c1cc(CN)ccc1O 257904924 PLWLQJAZRKSOII-SSDOTTSWSA-N 180.251 1.131 10 10 ADCE Cc1c(C[C@@H](C)N)cc(O)c(O)c1C 257987061 FGVBAVMFMUUJDC-ZCFIWIBFSA-N 195.262 1.604 10 10 ADCE C[C@]1(O)CCC[C@]1(C)N=[N+]=[N-] 307146929 OCEHOMXEYLHWMC-BQBZGAKWSA-N 155.201 1.990 10 10 ADCE NC(=O)N=Nc1cccc(F)c1 307862564 AFKZYSYPQUHCHN-UHFFFAOYSA-N 167.143 1.988 10 10 ADCE O=C1N[C@@H]2c3cocc3C[C@@H]2/C1=C\O 388933809 UYXVEFFVKIZAIG-YDIKLUJASA-N 191.186 1.065 10 10 ADCE CN(C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 885854080 QFPCBXNZMKIPNE-SSDOTTSWSA-N 197.242 1.300 10 10 ADCE C[C@@H]1C(=O)CC[C@@H]1N=[N+]=[N-] 1880027467 FIMLDTFZEXVBRM-WHFBIAKZSA-N 139.158 1.664 10 10 ADCE Nc1ccc(N[C@@H]2C[C@@H]2F)cc1 1881105360 IYSUYCNIEQBQRT-DTWKUNHWSA-N 166.199 1.791 10 10 ADCE Oc1cccc(CN[C@@H]2C[C@@H]2F)c1O 1887535908 GOWXKWGAIMPIGA-JGVFFNPUSA-N 197.209 1.298 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]2CC1=O 1912196177 JNFTVIZFKGAJQV-BQBZGAKWSA-N 180.211 1.165 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@@H]2CC1=O 1912196179 JNFTVIZFKGAJQV-RNFRBKRXSA-N 180.211 1.165 10 10 ADCE CC(C)(O)[C@@H](N)c1ccc(F)cc1O 1951477122 RTCWZDLXVSBNKZ-VIFPVBQESA-N 199.225 1.302 10 10 ADCE C[C@@H](N)[C@@H](N=[N+]=[N-])c1ccco1 1953712155 BPCRCFINUHDMDI-IYSWYEEDSA-N 166.184 1.978 10 10 ADCE OCCCCCc1ccc(O)c(O)c1 1962712337 PMMNAQAHPIRNFG-UHFFFAOYSA-N 196.246 1.803 10 10 ADCE COc1ccccc1C(=O)C=[N+]=[N-] 79673676 ICZDWKKFYMKKNK-UHFFFAOYSA-N 176.175 1.179 10 10 ADCE Nc1ccc(NF)cc1 95922835 AZSDEGXYYBHUKM-UHFFFAOYSA-N 126.134 1.565 10 10 ADCE C/N=N/[C@H](N)C(C)C 104152608 CCMHRQATJQJULZ-DESAVFHASA-N 115.180 1.009 10 10 ADCE C[C@H](N=[N+]=[N-])C(=O)NC(C)(C)C 104701545 HCWUQSBFZSSRGF-YFKPBYRVSA-N 170.216 1.600 10 10 ADCE Cc1cc(O)c([C@@H](O)[C@@H](C)N)s1 108299567 MQSPCSCLDDTGNW-VDTYLAMSSA-N 187.264 1.143 10 10 ADCE Nc1ccc(OC[C@@H]2COCO2)cc1 113368471 CSLIPQYTWCTNLE-JTQLQIEISA-N 195.218 1.021 10 10 ADCE C[C@@H](O)C(C)(C)Nc1ccc(N)cc1 123708783 GTIWJKXSCGDPEO-MRVPVSSYSA-N 194.278 1.840 10 10 ADCE [N-]=[N+]=NCC(N)(CN=[N+]=[N-])CN=[N+]=[N-] 169483064 LMUINGIYBFMHFG-UHFFFAOYSA-N 196.178 1.615 10 10 ADCE COC(=O)[C@@H]1C[C@H]1CN=[N+]=[N-] 238350046 PGISVYKSWUJZCQ-CRCLSJGQSA-N 155.157 1.106 10 10 ADCE C[C@@H]1C[C@]1(N=[N+]=[N-])C(=O)O 238467010 BZQUNYSPSBSBDC-NQXXGFSBSA-N 141.130 1.160 10 10 ADCE CN[C@@H](C)Cc1cc(O)c(O)cc1C 257870524 YBXVRULAVRDYJM-QMMMGPOBSA-N 195.262 1.557 10 10 ADCE C[C@H](O)[C@@H]1Nc2ccccc2N[C@H]1C 307468408 RDQDOCAFLGVOQJ-DKCNOQQISA-N 192.262 1.662 10 10 ADCE CCOC(=O)N1CCC[C@H](N=[N+]=[N-])C1 403794423 WISKRMCQUGQNLT-ZETCQYMHSA-N 198.226 1.918 10 10 ADCE CNN[C@H](C)c1ccccc1O 704702208 PNLMOVMGAXNKOK-SSDOTTSWSA-N 166.224 1.177 10 10 ADCE CC[C@@H](OC)[C@H](CO)N=[N+]=[N-] 1535787320 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C[C@@H](F)CN1CC(N=[N+]=[N-])C1 1880162983 WJRQCCSYVXAMEH-RXMQYKEDSA-N 158.180 1.339 10 10 ADCE CO[C@@H]1C[C@H]1CN1CC[C@@H](N=[N+]=[N-])C1 1887360310 KUSNZNJXFMOKIF-DJLDLDEBSA-N 196.254 1.406 10 10 ADCE C[C@@]1(Nc2ccc(N)cc2)CCNC1 1888915762 UYSMBPNMJYCMKQ-LLVKDONJSA-N 191.278 1.433 10 10 ADCE CC[C@@H]1CCC[C@@]1(O)C(=O)C(C)=O 1929175738 VKWDHDXMBCIWDV-SCZZXKLOSA-N 184.235 1.086 10 10 ADCE CC[C@H]1CCC[C@@]1(O)C(=O)C(C)=O 1929175740 VKWDHDXMBCIWDV-WPRPVWTQSA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NCC12CC(C(=O)O)(C1)C2 2049389285 ASESFLADQKIIHI-UHFFFAOYSA-N 167.168 1.552 10 10 ADCE CNCC[C@@H](N)c1ccccc1O 2241980321 JRWCIAHGZMGMDT-SECBINFHSA-N 180.251 1.002 10 10 ADCE NCc1cc(F)cc(Cl)c1O 29220529 XUSCKYPTQUBNQG-UHFFFAOYSA-N 175.590 1.643 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@@H](CC(=O)O)C1 34413295 ZADSMOYZDIVKAE-RITPCOANSA-N 167.168 1.716 10 10 ADCE CCN(C)CCN=[N+]=[N-] 42415875 TZUOKLBYKRHRLP-UHFFFAOYSA-N 128.179 1.248 10 10 ADCE O=C1N[C@H](c2ccccc2O)CO1 95686099 ZWZKIBPDRBHJKS-ZETCQYMHSA-N 179.175 1.173 10 10 ADCE CC[C@H]1C[C@H](CC)C(=O)C1=O 147742137 WDDKBDIDJQVDBM-BQBZGAKWSA-N 154.209 1.581 10 10 ADCE CC1(C)C(=O)C(=O)[C@H]2CC[C@H]1C2 169397730 UHONRUDDOVMSCJ-BQBZGAKWSA-N 166.220 1.581 10 10 ADCE C/N=N/Nc1cccnc1 196622282 DDZIMVQBYGWPQE-UHFFFAOYSA-N 136.158 1.491 10 10 ADCE CC(=O)CCC(C)=S 202920818 GKCSJRPHADZLSJ-UHFFFAOYSA-N 130.212 1.745 10 10 ADCE CCOC(=O)/C=C/[C@H](C)N=[N+]=[N-] 216527727 RQWXPSVYBORQAK-OVCGOVNKSA-N 169.184 1.805 10 10 ADCE OCC1(c2ccc(O)c(O)c2)CC1 226182554 MBLMWJMJYPBWCG-UHFFFAOYSA-N 180.203 1.122 10 10 ADCE CC1(C)O[C@@H]2CO[C@H](CN=[N+]=[N-])[C@H]2O1 255977032 HOZQMZPMYITMHW-FSDSQADBSA-N 199.210 1.216 10 10 ADCE CC(C)N[C@H](CN)c1ccccc1O 257843900 MZVXJZNLNWFZNI-SNVBAGLBSA-N 194.278 1.390 10 10 ADCE CO[C@H]1CCC[C@H]1N(C)CCN=[N+]=[N-] 687461597 MVSYUBIPEPAITR-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CC[C@]1(CO)CO[C@@H](CN=[N+]=[N-])C1 689249166 UXOVEJCEXYFXSW-SFYZADRCSA-N 185.227 1.474 10 10 ADCE C[C@H]1COC[C@H]1N(C)CCCN=[N+]=[N-] 710951145 FTLXCJLEMVIMBT-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCc1ccncn1 1535736688 INYBRSQBVCWPGJ-UHFFFAOYSA-N 135.130 1.287 10 10 ADCE COc1cc(C2(N)CC2)cc(O)c1O 1535818198 SJQKEJOIJJYMSF-UHFFFAOYSA-N 195.218 1.054 10 10 ADCE CO[C@H]1C[C@H]1CN1CC(N=[N+]=[N-])C1 1882813191 LEQIMEIFLLINQX-XPUUQOCRSA-N 182.227 1.016 10 10 ADCE C[C@H](O)[C@@H]1C[C@H]1Nc1ccc(N)cc1 1885828530 WAGJGIAMJRAQNF-BKDNQFJXSA-N 192.262 1.450 10 10 ADCE CC[C@]1(C)CN(CCN=[N+]=[N-])CCO1 1912155356 HNAKPYYBVIVJGG-SECBINFHSA-N 198.270 1.798 10 10 ADCE C[C@@H](O)CCCN1CC[C@@H](N=[N+]=[N-])C1 1912165371 JUIOQWGPQDAKHB-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC1CN(Cc2cnns2)C1 1912172202 RVJXRGGOOOKSKE-UHFFFAOYSA-N 196.239 1.033 10 10 ADCE CC(=O)C(=O)c1n[nH]c2ccccc12 1951592235 UQQNGJBQTDKYAG-UHFFFAOYSA-N 188.186 1.335 10 10 ADCE CNC[C@@H]1C[C@@H]1c1ccc(O)c(O)c1 1951858094 FCRNROMGLHXOAN-DTWKUNHWSA-N 193.246 1.421 10 10 ADCE CC(=O)C(=O)c1ccc(C)nc1Cl 1951976355 NQXVWSAASOARLT-UHFFFAOYSA-N 197.621 1.815 10 10 ADCE C[C@H]1C[C@H](F)CN1CCN=[N+]=[N-] 1953510642 VTMOKIVSGFIUKV-BQBZGAKWSA-N 172.207 1.729 10 10 ADCE COc1ccc(F)cc1C(=O)C(C)=O 57489877 LVQZVCUONABTEE-UHFFFAOYSA-N 196.177 1.606 10 10 ADCE C[C@H](N)c1ccc(N(C)C)cc1F 75845025 AGUNSZSJXBHPTA-ZETCQYMHSA-N 182.242 1.911 10 10 ADCE Cc1nncn1-c1ccc(N)cc1 82587748 XIUXLJCTKCCLPP-UHFFFAOYSA-N 174.207 1.158 10 10 ADCE [N-]=[N+]=NCC(=O)[C@@]12CCCN(CC1)C2 138102463 JGJODNUPPUPRPT-VIFPVBQESA-N 194.238 1.352 10 10 ADCE O=C1C(=O)[C@H]2C[C@H]1[C@H]1CCC[C@@H]21 199276823 SGGDDWDZJCCJBJ-YWIQKCBGSA-N 164.204 1.191 10 10 ADCE CNCc1c(F)ccc(C)c1O 212383677 ZPYTZVKVEXBZHA-UHFFFAOYSA-N 169.199 1.559 10 10 ADCE [N-]=[N+]=NC[C@@H]1CO[C@@H]2OCCC[C@H]21 214276816 XLUFRVIJYSAHOQ-CSMHCCOUSA-N 183.211 1.696 10 10 ADCE CC(=O)N(C)CCc1ccc(N)cc1 238321891 BNHKCKJSKVMBET-UHFFFAOYSA-N 192.262 1.290 10 10 ADCE [N-]=[N+]=N[C@H]1CC[C@H]2COC(=O)N2C1 238592497 FEVJJOJFEJLIJJ-WDSKDSINSA-N 182.183 1.280 10 10 ADCE COc1c(C)cc(C)c(CNO)c1O 258024789 IPAZYZCNTRVDEC-UHFFFAOYSA-N 197.234 1.496 10 10 ADCE Cc1cc2c(cc1N(C)C)OCCO2 259939815 FVDHJHILOTUNSN-UHFFFAOYSA-N 193.246 1.832 10 10 ADCE CC(C)(CCN)c1ccc(O)c(O)c1 1535860946 PJXKXQMNXZCVSF-UHFFFAOYSA-N 195.262 1.724 10 10 ADCE CN[C@H](C)C=Cc1ccc(O)c(O)c1 1884305579 DDCAPABFYCBVME-MRVPVSSYSA-N 193.246 1.719 10 10 ADCE CC1(C)CCOCCN1CCN=[N+]=[N-] 1885826991 YLYGCSADVSGNKJ-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE NC[C@@H](Oc1ccc(N)cc1)C1CC1 1896268535 JBCDPRJKSZHDMQ-LLVKDONJSA-N 192.262 1.385 10 10 ADCE CCCN1CC[C@@H](N=[N+]=[N-])C1 1912149426 GGKHEJJUHOFTKY-SSDOTTSWSA-N 154.217 1.781 10 10 ADCE CCO[C@@H](C)[C@H](N)c1ccccc1O 1928472072 NBWLIVSJQLOPGQ-KWQFWETISA-N 195.262 1.817 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CCC[C@@H]2CC[C@@H]21 1956952078 DERWYKTXOYMNMU-WCABBAIRSA-N 196.246 1.086 10 10 ADCE COc1ccc(N2CC[C@@H]2CO)cc1 2209624155 MCIWRTFXPBQAES-SNVBAGLBSA-N 193.246 1.266 10 10 ADCE [N-]=[N+]=N[C@@H](CO)COc1ccccc1 34286644 ADOLREVEQHDDAK-QMMMGPOBSA-N 193.206 1.737 10 10 ADCE COc1ccc(N(C)C[C@H]2CO2)cc1 49969713 YRLJCTGHGLKFJK-NSHDSACASA-N 193.246 1.530 10 10 ADCE Nc1ccc(Nc2ncns2)cc1 83651737 VMVJJVHQIPAMCX-UHFFFAOYSA-N 192.247 1.864 10 10 ADCE C[C@@H]1CCS[C@@H](CN=[N+]=[N-])N1 87604213 QXUURCCIFSULGQ-RITPCOANSA-N 172.257 1.738 10 10 ADCE [N-]=[N+]=NCC(=O)N1CCCCCC1 104701265 BWQDECBRXHWUAQ-UHFFFAOYSA-N 182.227 1.699 10 10 ADCE CCONCc1ccc(O)cc1O 134251821 VUTAYIDVYAFVDC-UHFFFAOYSA-N 183.207 1.139 10 10 ADCE Cc1cc(O)c(CNC(C)C)cc1O 143487028 FCPJKTHVSKTZFV-UHFFFAOYSA-N 195.262 1.904 10 10 ADCE CC(C)[C@H](N)c1cc(O)nc(O)c1 238174398 YZOXUWVXRCAPRH-VIFPVBQESA-N 182.223 1.149 10 10 ADCE CCC(=O)C(C(C)=O)=S(C)C 238189750 MQUZSZITAASICZ-UHFFFAOYSA-N 174.265 1.255 10 10 ADCE [N-]=[N+]=NCC1(CO)CC1 238696674 KMPYORVFAGVUHR-UHFFFAOYSA-N 127.147 1.069 10 10 ADCE C[C@H]1c2c(O)cccc2[C@H](O)CN1C 504373314 QHBRAZPZFNVIKN-OIBJUYFYSA-N 193.246 1.432 10 10 ADCE CC[C@H](C)NC(=O)NCCCN=[N+]=[N-] 704202740 CCPGUCOGOLYNCO-ZETCQYMHSA-N 199.258 1.785 10 10 ADCE CC(=O)CN[C@@H](C)c1ccccc1O 879649713 DBHFVQHBLHHKSK-VIFPVBQESA-N 193.246 1.632 10 10 ADCE C[C@H](ON)c1cccc(O)c1O 1535735961 ZSAPWHILMJNNLQ-YFKPBYRVSA-N 169.180 1.049 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccccn1 1535878118 KEWDPWSOIKTJFT-ZETCQYMHSA-N 164.168 1.425 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc[nH]1 1535883119 WCCDEBHENXSCBK-LURJTMIESA-N 152.157 1.358 10 10 ADCE CN=NNc1ccc2c(c1)OCO2 1860489960 LCGVLDBZAUMRHY-UHFFFAOYSA-N 179.179 1.824 10 10 ADCE Cc1nc(CN=[N+]=[N-])cc(=N)[nH]1 1881255682 UAOICJFVHFMXPK-UHFFFAOYSA-N 164.172 1.008 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CCC[C@H](C1)N2 1885807186 YXERLJDFRNPIBC-DTORHVGOSA-N 195.270 1.123 10 10 ADCE CC1(C)C[C@H](CN)CN1CCN=[N+]=[N-] 1887825970 OKEYXLXYLMEIKV-MRVPVSSYSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NCCCN1CC=CCC1 1953635085 UIIZPLOXWZZWBR-UHFFFAOYSA-N 166.228 1.949 10 10 ADCE COc1ccc(N2CC(CN)C2)cc1 1955861153 XAFFIYZKTUZWRC-UHFFFAOYSA-N 192.262 1.090 10 10 ADCE CC1(C)CCN(CCN=[N+]=[N-])CCN1 2210049276 NIXOKWAGNNWQIW-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE Cc1ccc(CC(=S)C(=O)O)cc1 3874628 YTICCMUFFYTQHS-UHFFFAOYSA-N 194.255 1.992 10 10 ADCE CCC[C@@H](N)c1cc(O)ccc1O 95777662 RBESJBPQEOJDPT-SECBINFHSA-N 181.235 1.898 10 10 ADCE Nc1cccc(O)c1CN1CCCC1 108373184 KNGFBMXYTAXRKY-UHFFFAOYSA-N 192.262 1.570 10 10 ADCE CC[C@H]1CCCN1C[C@@H](O)CN=[N+]=[N-] 203326115 YCEVDSZDUMCYKU-IUCAKERBSA-N 198.270 1.532 10 10 ADCE C[C@H]1CCCCN1C[C@H](O)CN=[N+]=[N-] 206124164 HERNXFIHJJRPCA-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CCC(=O)C(=O)C(CC)CC 238221473 USZWGYYEWZKBJL-UHFFFAOYSA-N 156.225 1.971 10 10 ADCE C=C/C=C/C(=C/O)C(=O)OC 307893571 HSQRUBMHGPJQKB-DEQVHDEQSA-N 154.165 1.344 10 10 ADCE COC(=O)/C=C(\O)[C@@H](C)CCN=[N+]=[N-] 381645471 VIZARGKCWQAWPS-ZHURGCMGSA-N 199.210 1.938 10 10 ADCE [N-]=[N+]=NCC1CCS(=O)(=O)CC1 575464425 QWCQZBQFIAQHSH-UHFFFAOYSA-N 189.240 1.122 10 10 ADCE C[C@H](NN1CCC1)c1ccccc1O 686778618 PZCWSGDVWLTNFF-VIFPVBQESA-N 192.262 1.664 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]2COC[C@@H]21 690802599 BOOPSAXUWPLWJU-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE Oc1ccccc1CN[C@H]1CC[C@H]1O 704090412 XSSBOJVXYSBVHV-GXSJLCMTSA-N 193.246 1.005 10 10 ADCE c1csc(SCc2nc[nH]n2)n1 1188660320 LTJHSBDOUMOISH-UHFFFAOYSA-N 198.276 1.554 10 10 ADCE CN(CCN=[N+]=[N-])CP(C)(C)=O 1881448051 DHVNUYZHUHNEQO-UHFFFAOYSA-N 190.187 1.809 10 10 ADCE [N-]=[N+]=NC1CN(CC2(F)CC2)C1 1881626217 LAYNYINYIKEKGQ-UHFFFAOYSA-N 170.191 1.483 10 10 ADCE [N-]=[N+]=NCCc1cncc(O)c1 1951401616 HIXOKICLSKBNAA-UHFFFAOYSA-N 164.168 1.640 10 10 ADCE Cc1ncoc1[C@H](CO)N=[N+]=[N-] 1951603533 HTIAVBWVMFELDA-YFKPBYRVSA-N 168.156 1.327 10 10 ADCE Oc1cc(F)ccc1[C@@H]1C[C@H](F)CN1 1952891241 YPQOSJQIKVHQES-CBAPKCEASA-N 199.200 1.904 10 10 ADCE Cn1ccnc1C=C1CC[C@H]1CN 1954234362 RHLIRMDIVZTDII-VIFPVBQESA-N 177.251 1.172 10 10 ADCE CN(C)C[C@@H]1Cc2c1ccc(O)c2O 29209205 HAWYTPSISSBBQN-ZETCQYMHSA-N 193.246 1.299 10 10 ADCE CC[C@H](CO)Nc1ccccc1N 35599997 HJLKJNGCEXBJTQ-MRVPVSSYSA-N 180.251 1.452 10 10 ADCE CC[C@H](O)COc1ccc(N)cc1 38055877 PDILQYWINXKACB-VIFPVBQESA-N 181.235 1.419 10 10 ADCE C[C@@H](Cc1ccc(O)c(O)c1)N(C)C 163869522 IGATVIFAMZLMSA-QMMMGPOBSA-N 195.262 1.590 10 10 ADCE C[C@H]1CC/C(=C\O)C(=O)O1 204994343 YCROPIXIXHPRKG-WHEKYOLUSA-N 142.154 1.154 10 10 ADCE [N-]=[N+]=NC[C@@H](N)Cc1ccc(O)cc1 216048694 ZXRCAFFAFQCGBN-QMMMGPOBSA-N 192.222 1.572 10 10 ADCE C[C@]1(N)CCCc2cccc(O)c21 219506050 PZEMRAFHFVXWKY-NSHDSACASA-N 177.247 1.902 10 10 ADCE CCC(=O)C(=O)C(=O)CC(C)C 238188764 BQJJTUFHJOOJCM-UHFFFAOYSA-N 170.208 1.150 10 10 ADCE C[C@H](CCN)c1ccc(O)c(O)c1F 258084454 JFVTYHSIJVJHGW-ZCFIWIBFSA-N 199.225 1.689 10 10 ADCE C=CC(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 885688722 XIXBJINOLSQUIL-QMMMGPOBSA-N 194.238 1.721 10 10 ADCE CC[C@@H]1CCN[C@H](CN=[N+]=[N-])O1 1912179384 UGUKFXYSCAOTDP-RQJHMYQMSA-N 170.216 1.411 10 10 ADCE CC(=O)C(=O)c1cnccc1Cl 1951912246 LKKRUFYUHKUSTD-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE O=[N+]([O-])Cc1c(O)cccc1[N+](=O)[O-] 1952318126 XVYGAXQQLMUMFT-UHFFFAOYSA-N 198.134 1.077 10 10 ADCE Oc1ccc([C@@H]2NCC[C@H]2F)c(O)c1 1952792177 GGFPUKIRKOVGEW-SCZZXKLOSA-N 197.209 1.470 10 10 ADCE CCO[C@H]1C=CCN(CCN=[N+]=[N-])C1 1956281932 UHQUVJUCBHUIOH-VIFPVBQESA-N 196.254 1.574 10 10 ADCE COC(=O)C1(CN=[N+]=[N-])CCC1 2209087056 MKQFRPXDJLSBBW-UHFFFAOYSA-N 169.184 1.640 10 10 ADCE c1csc(SC[C@H]2CO2)n1 40676977 ALSVMYIXQWIKDB-RXMQYKEDSA-N 173.262 1.634 10 10 ADCE Nc1cc(F)cc([C@@H](N)C2CC2)c1O 95706974 NNWOTEMKNAQLTJ-VIFPVBQESA-N 196.225 1.523 10 10 ADCE C=Cc1cc(O)c(O)c(OC)c1 166636111 GEEXFDOMGJGVHC-UHFFFAOYSA-N 166.176 1.749 10 10 ADCE C[C@@H](F)[C@@H](N)c1ccccc1O 212380447 YDZJADWIPZQQMO-HZGVNTEJSA-N 169.199 1.750 10 10 ADCE CN1C(=O)C[C@@H]2[C@@H](N=[N+]=[N-])CCC[C@@H]21 238303951 OMFFXUNHRZTZIY-CSMHCCOUSA-N 194.238 1.696 10 10 ADCE C=Cc1ccc(O)c([C@@H](CO)NC)c1 238359756 IJPZGJIVAKRVCL-SNVBAGLBSA-N 193.246 1.288 10 10 ADCE CO[C@H](c1ccc(O)c(O)c1)[C@@H](C)N 238389283 MERTWYJVRRDIDS-LDWIPMOCSA-N 197.234 1.133 10 10 ADCE COC(=O)/N=N/C=C/Cl 238802117 KSCUHXBJAUQSCF-BLWKUPHCSA-N 148.549 1.915 10 10 ADCE CN1CC[C@@H](O)[C@H]1c1ccccc1O 257885229 WCGOTEIQFLEXIN-GHMZBOCLSA-N 193.246 1.130 10 10 ADCE Cc1cnc(/C=C\CCN)n1C 713382755 LJUPLMRWNQUTRY-HYXAFXHYSA-N 165.240 1.091 10 10 ADCE NC[C@@H](F)c1cccc(O)c1O 1536202464 JOTGWJFEDNQMOT-ZCFIWIBFSA-N 171.171 1.067 10 10 ADCE CN1C(=O)C(=CO)c2ccccc21 1911602542 AEABZVDSHJESPI-UHFFFAOYSA-N 175.187 1.562 10 10 ADCE C[C@@H]1CN(CCCCN=[N+]=[N-])C(=O)O1 1912165361 JQVJUDREBITKFC-SSDOTTSWSA-N 198.226 1.918 10 10 ADCE CC[C@@H](C)N1CC(N=[N+]=[N-])C1 1912201047 OVPNNHABLBCMMP-ZCFIWIBFSA-N 154.217 1.779 10 10 ADCE COCC1CN(CCCCN=[N+]=[N-])C1 1912206899 LKONZZTXGZHRMS-UHFFFAOYSA-N 198.270 1.655 10 10 ADCE CN[C@@H](CF)c1cccc(C)c1O 1952577428 RDYSQKYNXJLYOP-VIFPVBQESA-N 183.226 1.931 10 10 ADCE CNc1ncccc1CN=[N+]=[N-] 1953643403 DSSOSRIXBUWXHF-UHFFFAOYSA-N 163.184 1.934 10 10 ADCE C[C@@H]1[C@H](N)CCCN1CCCN=[N+]=[N-] 1957250082 NQGSWFAFHFZFDY-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE CC[C@@H](C)NCc1ccc(O)c(O)c1 19881941 DEPGPWCXMLSRSU-MRVPVSSYSA-N 195.262 1.986 10 10 ADCE C[C@@H](CC(=O)O)N=[N+]=[N-] 34160133 WOYHANJHXJPFIW-VKHMYHEASA-N 129.119 1.160 10 10 ADCE Cn1ccnc1-c1ccc(O)c(O)c1 40862748 YRYPXAFIUGHFAC-UHFFFAOYSA-N 190.202 1.498 10 10 ADCE N[C@H]1CCCc2c(O)ccc(O)c21 95786678 OXHWTMUSPOEFRH-ZETCQYMHSA-N 179.219 1.434 10 10 ADCE OC[C@H](F)c1ccc(O)c(O)c1 108289802 JIZXYRRREWODEB-LURJTMIESA-N 172.155 1.101 10 10 ADCE CO[C@@H]1C[C@@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O1 141955218 ZKDPFYAFKQRQBS-PBXRRBTRSA-N 198.186 1.737 10 10 ADCE [N-]=[N+]=N[C@@H](C1CCCCC1)[C@@H](O)CO 196531652 UDZQHFOSULRAIE-IUCAKERBSA-N 199.254 1.599 10 10 ADCE CC[C@H]1C[C@@]1(N)c1ccccc1O 212717653 DRGUZRZVIQTZKA-KWQFWETISA-N 177.247 1.976 10 10 ADCE CN(C)c1ccc(/N=N/C(N)=O)cc1 223982720 GNWYUPQAANEWFB-VAWYXSNFSA-N 192.222 1.915 10 10 ADCE C[C@]1(CCN=[N+]=[N-])CO1 238475600 LNEAVZKVSQPDTH-YFKPBYRVSA-N 127.147 1.476 10 10 ADCE C[C@H](O)[C@H](N)c1ccc(S)cc1O 238492807 HXMBEABSPSCFFL-CDUCUWFYSA-N 199.275 1.062 10 10 ADCE C[C@@H]1C[C@H]1C(=O)CN=[N+]=[N-] 1893780631 HXYZKLQNZMTCBA-RFZPGFLSSA-N 139.158 1.522 10 10 ADCE CC[C@H]1C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1897761553 VPXCUPNMORFNGO-XPUUQOCRSA-N 194.238 1.554 10 10 ADCE CCC=C(C)C(=O)NCCN=[N+]=[N-] 1911538618 AZXQXMLZKHXNRK-UHFFFAOYSA-N 182.227 1.769 10 10 ADCE CC(C)N1CC[C@@H](N=[N+]=[N-])C1 1912144913 YLDWUPRZFHOKRW-SSDOTTSWSA-N 154.217 1.779 10 10 ADCE [N-]=[N+]=NC[C@H]1CC2(CC2)CN1 1934312487 QXOUTIPNWASNLR-ZCFIWIBFSA-N 152.201 1.439 10 10 ADCE Cc1cccc([C@H]2CC(=O)N2)c1O 1951664873 XKBUAPPOEKTYCE-MRVPVSSYSA-N 177.203 1.262 10 10 ADCE CCc1ccc(C(=O)OC)c(O)c1O 2060202878 PTGSXWKXKOVIFX-UHFFFAOYSA-N 196.202 1.447 10 10 ADCE CCC/C=C1/SC(=S)NC1=O 3130487 PAJITHLRFNTNGD-SNAWJCMRSA-N 187.289 1.818 10 10 ADCE CCOC(=O)N1CCC[C@H]1N=[N+]=[N-] 34172079 WRQKPLVYLWGHLN-LURJTMIESA-N 184.199 1.875 10 10 ADCE Nc1ccc(CC2OCCO2)cc1 34385378 BSEGEIWSXBYEHQ-UHFFFAOYSA-N 179.219 1.184 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1CCCO1 42470457 CWWIDFOGGRMEFW-SECBINFHSA-N 198.270 1.798 10 10 ADCE CCc1nc(CC)n(CCN=[N+]=[N-])n1 84065928 JCYLXMJXKMZPOH-UHFFFAOYSA-N 194.242 1.713 10 10 ADCE COc1cccc(O)c1[C@@H]1CCN1 95785181 SMJNEFOSHKDUDN-ZETCQYMHSA-N 179.219 1.435 10 10 ADCE CO[C@@H](CN=[N+]=[N-])CC(=O)CC(C)=O 137232763 FJOVBCHNBQPCQY-MRVPVSSYSA-N 199.210 1.250 10 10 ADCE O=C1C(=O)[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 196628971 SGGDDWDZJCCJBJ-SOSBWXJGSA-N 164.204 1.191 10 10 ADCE Nc1ccc(N2CC3CC2C3)cc1 212586932 KPXRVAXSTCRNII-UHFFFAOYSA-N 174.247 1.867 10 10 ADCE C[C@@H]1NCCc2cc(O)cc(O)c21 212809581 SRKYUFSSBLFNNA-LURJTMIESA-N 179.219 1.305 10 10 ADCE Cc1cccc(O)c1C1(N)CC1 221191560 HXAUDJGSYBXBNM-UHFFFAOYSA-N 163.220 1.648 10 10 ADCE [N-]=[N+]=NCc1nc(C=O)cs1 238683391 YRNZLSALESIICT-UHFFFAOYSA-N 168.181 1.766 10 10 ADCE Oc1ccccc1[C@@H]1NC[C@@H]2C[C@H]21 250209579 YGQWFVFDWYJKND-NMLBEHRDSA-N 175.231 1.673 10 10 ADCE Cc1cc(C2(N)CC2)cc(O)c1O 257958327 GOVZFHHSSMFHMF-UHFFFAOYSA-N 179.219 1.354 10 10 ADCE NOCc1c(Cl)ccc(O)c1O 258006175 GYFLQTBCJMBMKM-UHFFFAOYSA-N 189.598 1.142 10 10 ADCE CCC[S@](=O)N=[N+]=[N-] 306546060 AAYABDPZBFXWAE-QMMMGPOBSA-N 133.176 1.370 10 10 ADCE CC1(C)[C@@H]2CN(CCN=[N+]=[N-])C[C@H]21 306666267 VAXOQGLSGZKINZ-HTQZYQBOSA-N 180.255 1.885 10 10 ADCE COC(=O)/C=C\[C@H](N=[N+]=[N-])[C@H](C)CO 308370770 POJVCQMWHNRKQZ-FKCQFORESA-N 199.210 1.023 10 10 ADCE NCCC[C@H](N)c1ccccc1O 575440485 YFFHCQILGZIAOJ-VIFPVBQESA-N 180.251 1.131 10 10 ADCE Nc1c[nH]nc1-c1ccc(O)c(O)c1 1535866424 WFIKDWDUZJBYPB-UHFFFAOYSA-N 191.190 1.070 10 10 ADCE COC[C@@H]1C=CCN1CCN=[N+]=[N-] 1882405773 NVKVXLFNGWRQGA-QMMMGPOBSA-N 182.227 1.184 10 10 ADCE CC(C)NCc1cccc(O)c1O 41049374 KLPZWIADNVISTE-UHFFFAOYSA-N 181.235 1.596 10 10 ADCE COC[C@H](C)N(C)CCN=[N+]=[N-] 42519329 KUNASRZTFXULDL-ZETCQYMHSA-N 172.232 1.263 10 10 ADCE Cc1ccccc1CC(=S)C(=O)O 72414699 PQRWARJIVBKAID-UHFFFAOYSA-N 194.255 1.992 10 10 ADCE CCSc1cccc(O)c1CN 125596485 LYHGTUMRVAAFLI-UHFFFAOYSA-N 183.276 1.963 10 10 ADCE CC(C)C[C@@H](CO)N=[N+]=[N-] 201357590 WOYMUTATNIHZHI-LURJTMIESA-N 143.190 1.704 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@H](N=[N+]=[N-])CN1 208290563 RXKRZJAYBMEONG-UHNVWZDZSA-N 167.176 1.338 10 10 ADCE NCc1c(O)c(Cl)cc(O)c1F 214666446 LRMOJJVLCJZUAO-UHFFFAOYSA-N 191.589 1.349 10 10 ADCE Nc1c(O)c(O)c2ccccc2c1O 238580537 COMRXBIDRJAYSD-UHFFFAOYSA-N 191.186 1.539 10 10 ADCE C[C@]1(c2ccccc2O)CC(=O)CN1 258882285 MUWIUFLVCIAFIC-LLVKDONJSA-N 191.230 1.170 10 10 ADCE COC(=O)c1ccc(O)c(O)c1F 260208385 QXAWTVUFLVYVTQ-UHFFFAOYSA-N 186.138 1.024 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1C[C@H]1CF 1883150017 JQYFKMHNEQNHQQ-JGVFFNPUSA-N 186.234 1.834 10 10 ADCE Nc1ccc(N[C@@H]2CC[C@@H](O)C2)cc1 1885026570 RBOOCBAUZNPGIU-GHMZBOCLSA-N 192.262 1.594 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2CCO[C@@H]2C1 1886460141 PHVHXHBDIKNEHW-DTWKUNHWSA-N 196.254 1.408 10 10 ADCE Nc1ccccc1N[C@H]1CCC[C@H]1N 1888906040 XPVJMSPBIDCRNO-KOLCDFICSA-N 191.278 1.561 10 10 ADCE COC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912146054 OUIIAKCFGDBVPK-YFKPBYRVSA-N 170.172 1.137 10 10 ADCE CSCCN1CC[C@@H](N=[N+]=[N-])C1 1912183980 VQPYJNDJQBNALB-SSDOTTSWSA-N 186.284 1.734 10 10 ADCE CC(C)CN(CCO)CCN=[N+]=[N-] 1912195003 CSWPIQPKKWSZMG-UHFFFAOYSA-N 186.259 1.247 10 10 ADCE CN[C@H](COC)c1ccc(C)cc1O 1951859393 ZKKLLVYNYIWSNI-SNVBAGLBSA-N 195.262 1.608 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2C=C[C@H]1C2 1954496965 WZHOYKLLBAIMLS-RQJHMYQMSA-N 178.195 1.084 10 10 ADCE C[C@@H]1C(CN2CC(N=[N+]=[N-])C2)[C@H]1C 1954594515 RJWHQCRTDWLOFZ-BQBZGAKWSA-N 180.255 1.883 10 10 ADCE C[C@@H]1CCC[C@H](CN)N1CCN=[N+]=[N-] 1957243882 IUXQNENMQPTXKR-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE Cc1ccc(/N=N/C(=S)NN)cc1 104544225 TXXWAAJZVKHXKR-VAWYXSNFSA-N 194.263 1.827 10 10 ADCE COC(=O)/C(=C\O)c1ccccc1 141309598 GOCBVHULKMGJSR-CLFYSBASSA-N 178.187 1.759 10 10 ADCE Nc1ccc(C[C@]2(F)CCOC2)cc1 219852749 LSTCNXZXWGCXNG-LLVKDONJSA-N 195.237 1.940 10 10 ADCE CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])CCC[C@H]1O 238075488 BPLLFKUKJPRMCU-RNJXMRFFSA-N 199.210 1.142 10 10 ADCE N[C@H]1CC[C@H](c2cc(O)nc(O)c2)C1 238696086 QNIZHKXXCQBTGL-XPUUQOCRSA-N 194.234 1.088 10 10 ADCE CONCc1cc(C)c(OC)cc1O 258216011 ZYGCCLUDZYYZNY-UHFFFAOYSA-N 197.234 1.360 10 10 ADCE Oc1cccc2c1CNC1(CC1)C2 259838592 VKBLOZIPVQTYKQ-UHFFFAOYSA-N 175.231 1.571 10 10 ADCE Cc1ncccc1[C@H](CO)N=[N+]=[N-] 1535723233 SEBNHMGAGSJKIQ-QMMMGPOBSA-N 178.195 1.734 10 10 ADCE N[C@]1(c2ccccc2O)CC[C@H]2C[C@@H]21 1928468286 UXQLPDZLSMAWCZ-PEXQALLHSA-N 189.258 1.976 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC[C@@H]2C1=O 1935422162 HLYVHPIYJDZCPM-RQJHMYQMSA-N 180.211 1.165 10 10 ADCE [N-]=[N+]=NCCCN1CCC12COC2 1954053065 VLSKFPSKKNNFBY-UHFFFAOYSA-N 182.227 1.162 10 10 ADCE Nc1ccc(CNC2[C@@H]3CC[C@@H]23)cc1 1955451069 ASZKPOBZZANICO-GHMZBOCLSA-N 188.274 1.767 10 10 ADCE Nc1ccc(OC(=O)N2CCC2)cc1 1955627412 AVHDYFGIDHBQRX-UHFFFAOYSA-N 192.218 1.473 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H](N)C[C@H]1C2 1957243688 GRVAXIUHFQMWIP-XHNCKOQMSA-N 195.270 1.108 10 10 ADCE Oc1ccccc1[C@H]1NCCS1 86541 XTCNCKCBECUEBH-VIFPVBQESA-N 181.260 1.727 10 10 ADCE Cc1ccc(S(=O)(=O)N=[N+]=[N-])o1 32602800 CVLVKWZFLZXXSB-UHFFFAOYSA-N 187.180 1.587 10 10 ADCE CN1CC[C@@H](N)[C@@H]1c1ccccc1O 75120463 CGNVQOHCXXCWSV-KOLCDFICSA-N 192.262 1.096 10 10 ADCE Oc1ccc2c(O)coc2c1O 100520944 OGEXJTAHQKIXJL-UHFFFAOYSA-N 166.132 1.550 10 10 ADCE O=C1Nc2ccc(F)cc2/C1=C/O 103951875 JDEXGIVTMVDOIY-DAXSKMNVSA-N 179.150 1.677 10 10 ADCE Cc1cc(O)c([C@H](O)[C@H](C)N)s1 108299570 MQSPCSCLDDTGNW-CAHLUQPWSA-N 187.264 1.143 10 10 ADCE CCOC(=O)[C@H](F)N=[N+]=[N-] 196131781 RRJJKLFSBFQCHZ-GSVOUGTGSA-N 147.109 1.155 10 10 ADCE CN[C@@H](C)c1cc(F)cc(F)c1O 211794562 LCQDXAXPRAWXBE-YFKPBYRVSA-N 187.189 1.951 10 10 ADCE Cc1ccc(O)c(O)c1CN(C)C 212930852 KFJCMZNJLMHIST-UHFFFAOYSA-N 181.235 1.468 10 10 ADCE Oc1cccc2c1[C@H](C1CC1)NC2 221265745 FDMGQNNQZQZWTH-NSHDSACASA-N 175.231 1.947 10 10 ADCE CC(=O)OC[C@H]1C[C@H](N=[N+]=[N-])C=CO1 238167221 ZAJVLXSWGUXJIM-HTQZYQBOSA-N 197.194 1.531 10 10 ADCE CC(C)(O)CCc1ccc(N)cc1 238178415 VMBAZVPPXYKQBH-UHFFFAOYSA-N 179.263 1.972 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@H]1N 238576017 QURWPRWUDYEQNR-PHDIDXHHSA-N 140.190 1.567 10 10 ADCE O=C1N[C@H]2c3cocc3C[C@@H]2/C1=C/O 238610195 UYXVEFFVKIZAIG-CYRBXZNLSA-N 191.186 1.065 10 10 ADCE N[C@@H](c1cc(O)nc(O)c1)C1CCC1 238672934 MSFGFXUEBVAETH-SNVBAGLBSA-N 194.234 1.293 10 10 ADCE COc1ccc(N2CC[C@@H]2CN)cc1 259766701 PMVBCWRBIQILIR-SNVBAGLBSA-N 192.262 1.233 10 10 ADCE Nc1ccc(N[C@@H]2CCC[C@@H]2O)cc1 306498652 GAENJNMKOBILOT-MNOVXSKESA-N 192.262 1.594 10 10 ADCE Nc1cc(CO)cc2c(O)csc12 306943778 WEWJYPZBUUGTIW-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE [N-]=[N+]=NC[C@@]1(O)C[C@H]2CC[C@H]1C2 307093273 CSDBKICBEQSVGU-FXQIFTODSA-N 167.212 1.848 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CSC[C@@H]2C1 711534213 QVUDJKKDFUGWBE-YUMQZZPRSA-N 198.295 1.592 10 10 ADCE CC(C)(N)CCN=[N+]=[N-] 1879979346 XQWXRRPMNZAVGS-UHFFFAOYSA-N 128.179 1.424 10 10 ADCE CN(c1ccc(N)cc1)C(C)(C)CN 1888923972 YRSWPYMVCLMUCK-UHFFFAOYSA-N 193.294 1.442 10 10 ADCE NC[C@H]1C[C@H]1COc1ccc(N)cc1 1896267998 ADQQPTRTLOPASB-BDAKNGLRSA-N 192.262 1.242 10 10 ADCE Nc1ccc(OCC2CC(N)C2)cc1 1896322279 XWOSFCZGKYBPQP-UHFFFAOYSA-N 192.262 1.385 10 10 ADCE COC[C@@H](C)N1CCC(N=[N+]=[N-])CC1 1912143666 JCZSRMINKKPYPJ-MRVPVSSYSA-N 198.270 1.796 10 10 ADCE CCCC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912183836 AKVXVLYFKXUILY-SSDOTTSWSA-N 182.227 1.698 10 10 ADCE CC(=O)C(=O)c1ccncc1C 1951976686 PMAZSSROGDBXRO-UHFFFAOYSA-N 163.176 1.162 10 10 ADCE [N-]=[N+]=N[C@H]1CCC2(CCC2)[C@@H]1O 1953736285 YSLXUSUCINFBMI-NKWVEPMBSA-N 167.212 1.990 10 10 ADCE CN(CCN=[N+]=[N-])CC1[C@@H]2COC[C@@H]12 1957269459 LPUTWUIYXVKITD-IUCAKERBSA-N 196.254 1.121 10 10 ADCE Nc1ccc(C[C@@H]2CCCN2)cc1 71494128 AHVVWFJVPZCHNA-NSHDSACASA-N 176.263 1.563 10 10 ADCE [N-]=[N+]=N[C@H](CCO)c1ccccn1 75450761 IZJKKGVGBVXTFH-MRVPVSSYSA-N 178.195 1.815 10 10 ADCE Nc1ccc(CC(=O)C2CC2)cc1 124054267 CEFJVUWOAZJHOE-UHFFFAOYSA-N 175.231 1.790 10 10 ADCE [N-]=[N+]=Cc1cccc([N+](=O)[O-])c1 196722243 OXEBRWPMXQZTFF-UHFFFAOYSA-N 163.136 1.244 10 10 ADCE CCc1cc(O)c(O)cc1[N+](=O)[O-] 201214161 ZSSHBHCITBYBBU-UHFFFAOYSA-N 183.163 1.568 10 10 ADCE C[C@H](N=[N+]=[N-])c1ccnn1C 235511618 WXSOPFCFELUHQJ-YFKPBYRVSA-N 151.173 1.791 10 10 ADCE NC1(c2c(O)cccc2O)CCC1 238558807 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Nc1ccc(O)c([C@@H]2CCCCN2)c1 104682112 IPPMNIPKJHBYDU-JTQLQIEISA-N 192.262 1.789 10 10 ADCE CCN(c1ccc(N)cc1)[C@H](C)O 114025874 BMMSRJQTOJOOBW-QMMMGPOBSA-N 180.251 1.433 10 10 ADCE Cc1cc(Cl)c(O)c(CN)c1F 214582857 JQBOCXDLFQKNSA-UHFFFAOYSA-N 189.617 1.952 10 10 ADCE CC(C)CC(=O)C(=O)c1cc[nH]c1 218953407 AGTROQOUVFKFCB-UHFFFAOYSA-N 179.219 1.813 10 10 ADCE CC1(C)OC(=O)[C@H](CCN=[N+]=[N-])O1 238181650 YPYYSJHLEMBBNF-YFKPBYRVSA-N 185.183 1.365 10 10 ADCE CC[C@H]1C[C@@H](CN=[N+]=[N-])OC1=O 238320825 YEHTVBDJHTYIPP-WDSKDSINSA-N 169.184 1.638 10 10 ADCE N[C@H]1CCCc2ccc(CO)c(O)c21 238589097 SFDVSDTZILOCNC-VIFPVBQESA-N 193.246 1.221 10 10 ADCE Cc1cc(CCO)c(O)c(O)c1C 258113468 PXUUVMIOMIVGCT-UHFFFAOYSA-N 182.219 1.249 10 10 ADCE COc1ccc(N(C)CN)c(OC)c1 258933986 SDGSPSDOHVMGMO-UHFFFAOYSA-N 196.250 1.056 10 10 ADCE COC1=CC=C/C(=C(\O)N=N)N1 379289456 KOAFXAXQGWVFBE-XWNMGORXSA-N 167.168 1.392 10 10 ADCE C[C@@H]1CCOC(=O)/C1=C/O 396139059 RHHCKMSPNPQRBZ-YWSOBTQUSA-N 142.154 1.011 10 10 ADCE 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1.670 10 10 ADCE C[C@@H]1C[C@@]1(F)CN(C)CCN=[N+]=[N-] 1878110448 RVKVEAMODYESML-HTQZYQBOSA-N 186.234 1.977 10 10 ADCE C[C@@H]1[C@H](O)CC[C@H]1N=[N+]=[N-] 1880028294 PTCJQMIETUHCBT-KVQBGUIXSA-N 141.174 1.456 10 10 ADCE C=C=CCC(=O)N(C)CCCN=[N+]=[N-] 1885413823 QUNIBKNDGNBFBY-UHFFFAOYSA-N 194.238 1.876 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]2C[C@H]21 1912157986 ZXADETPTGWMBAL-HTQZYQBOSA-N 166.228 1.781 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2CCC[C@H]21 1929223198 CYIPWMQHUQLTKB-NGZCFLSTSA-N 196.246 1.086 10 10 ADCE Cn1ccnc1C=C1CCC[C@H]1CN 1930155707 LDBKWWXNHXQZKU-JTQLQIEISA-N 191.278 1.562 10 10 ADCE Cc1ccc(O)c([C@@H]2C[C@H](O)CN2)c1 1952058143 AIGVUAGJCMHGGP-WPRPVWTQSA-N 193.246 1.096 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H]1CCCNC1 1957243901 JLPBDHYERFWKTN-VIFPVBQESA-N 197.286 1.371 10 10 ADCE CCc1ccc(O)c(O)c1F 33835505 KPBQNVFTWFTTOW-UHFFFAOYSA-N 156.156 1.799 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@H]1O 34139948 HUHPZGBAWPMUCZ-CRCLSJGQSA-N 127.147 1.210 10 10 ADCE in-vitro 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193.246 1.719 10 10 ADCE CCc1ccc(O)c([C@H](N)COC)c1 238283625 QTHFTXNGXBVHOQ-SNVBAGLBSA-N 195.262 1.601 10 10 ADCE Cc1cc(C)c(O)c(CNC(N)=O)c1 238543936 CCTURCBJMBYHLX-UHFFFAOYSA-N 194.234 1.177 10 10 ADCE [N-]=[N+]=NCC1(C(=O)O)CCCC1 238680856 QQVJCYNEJQZEPU-UHFFFAOYSA-N 169.184 1.942 10 10 ADCE CC[C@@H](N)[C@H](N)c1cc(F)ccc1O 306823962 VCJRBFQXRIEYRP-PSASIEDQSA-N 198.241 1.268 10 10 ADCE CC[S@](=O)NCc1ccccc1O 385393094 BQFAEAUUPLABEE-ZDUSSCGKSA-N 199.275 1.165 10 10 ADCE C[C@H]1Cc2cc(O)c(O)c(O)c2N1 713801574 UZWFFYGLYOAXTR-BYPYZUCNSA-N 181.191 1.160 10 10 ADCE C[C@H]1C/C(=C\c2nccn2C)CN1 953007248 ZHCYBWSCGLHFFP-CYXIBPNKSA-N 177.251 1.185 10 10 ADCE CCOCC[S@](=O)CCN=[N+]=[N-] 1880978393 MBWQJTNNSNNSEE-GFCCVEGCSA-N 191.256 1.082 10 10 ADCE COC[C@@H]1CC[C@@H]1N(C)CCN=[N+]=[N-] 1906875403 DQHZZSMJEWYLKX-IUCAKERBSA-N 198.270 1.654 10 10 ADCE C[C@@H]1CCN(CCCCN=[N+]=[N-])C1=O 1912186772 BYENURXXBZCRFA-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE CO[C@H](C)C[C@H](N)c1ccccc1O 1928473088 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1.842 10 10 ADCE CCc1cccc([C@H](C)N)c1O 95706947 MKLOQNFUETZCKQ-ZETCQYMHSA-N 165.236 1.974 10 10 ADCE CC(C)[C@H]1CCC(=O)C1=O 100828322 QGJSBGJNGUBEKG-ZCFIWIBFSA-N 140.182 1.191 10 10 ADCE endogenous,in-man CC(C)CCNC(=O)CN=[N+]=[N-] 104702210 OUPSORRTSATWPP-UHFFFAOYSA-N 170.216 1.459 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1N(C)C 124832521 FUOPSLICSOGTFC-IUCAKERBSA-N 197.286 1.179 10 10 ADCE CNC(=O)[C@H](N=[N+]=[N-])c1ccccc1 137520656 VLZBJROQWAFBFE-MRVPVSSYSA-N 190.206 1.784 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]2O[C@@H]12 140794126 SMBBIZYSPWOUQK-WDCZJNDASA-N 125.131 1.227 10 10 ADCE CC/C=C(/CN=[N+]=[N-])C(=O)O 144650854 ZTDBXHQHVNZJHL-HYXAFXHYSA-N 155.157 1.718 10 10 ADCE C[C@H]1CC(=O)C(=O)C[C@@H]1C 223707543 NYGUAIUIFILRLS-WDSKDSINSA-N 140.182 1.191 10 10 ADCE CCc1ccc(O)c2c1CC[C@H]2N 238284108 RKRDVGUOIQCDKN-SECBINFHSA-N 177.247 1.901 10 10 ADCE N[C@H]1CCc2c(F)c(F)cc(O)c21 238618220 VFLQENJZJDNEPV-LURJTMIESA-N 185.173 1.616 10 10 ADCE N[C@@H]1CCOc2ccc(F)c(O)c21 238622553 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[N-]=[N+]=NC1CN([C@H]2CCCC[C@H]2O)C1 1912203849 GVRWZSDCAMUUJT-DTWKUNHWSA-N 196.254 1.284 10 10 ADCE Oc1ccc([C@@H](O)C2CC2)cc1O 1951377955 SMKABUZZMNZPTR-JTQLQIEISA-N 180.203 1.541 10 10 ADCE CCCNCCN=[N+]=[N-] 1953147752 YCJVYVRMUANMLG-UHFFFAOYSA-N 128.179 1.296 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H](N)C2(CC2)C1 1957244888 TXZFIDCMHMMQIY-MRVPVSSYSA-N 195.270 1.110 10 10 ADCE ONCc1cccc(F)c1O 82845788 JMXQINLHGOFKLL-UHFFFAOYSA-N 157.144 1.010 10 10 ADCE CC(=O)c1ccc(O)c(O)c1F 222733663 NYOSCWFNOBQJGQ-UHFFFAOYSA-N 170.139 1.440 10 10 ADCE CS(C)=CC(=O)C(F)(F)F 238398130 ARYXNGYOYIHSOG-UHFFFAOYSA-N 172.171 1.449 10 10 ADCE CCOC(=O)[C@@]1(N=[N+]=[N-])C[C@H]1C 238797835 QRTASCNDCUSNJD-IYSWYEEDSA-N 169.184 1.638 10 10 ADCE COc1ccc(N(C)C)cc1[C@@H](C)O 258123739 QTGDFUDNHLCXCF-MRVPVSSYSA-N 195.262 1.815 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])CCCO1 300747897 DSPVAYHASZYJQJ-VIFPVBQESA-N 198.270 1.798 10 10 ADCE OC(O)=CN=Nc1ncc[nH]1 382630913 BHPLECRIUUFNLP-UHFFFAOYSA-N 154.129 1.408 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@H]21 575458527 ZSELRVGFYOMEEQ-NKWVEPMBSA-N 152.201 1.391 10 10 ADCE [N-]=[N+]=NCCCc1cn[nH]c1 691719674 KWXJASZZNRAVAH-UHFFFAOYSA-N 151.173 1.653 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H](F)[C@H](F)C1 714517816 JMIOJTNSUJYHMT-RNFRBKRXSA-N 190.197 1.679 10 10 ADCE NC1(c2ccccc2O)CCOCC1 1772509066 NSPCSAIOOZJXNM-UHFFFAOYSA-N 193.246 1.357 10 10 ADCE [N-]=[N+]=NC[C@H]1CCC[C@H](C(=O)O)O1 1883299341 NKKFGTNRTVKODZ-PHDIDXHHSA-N 185.183 1.319 10 10 ADCE Cn1ccnc1C=C[C@@H]1CCCNC1 1899438189 FJPFZQXPDRUQBH-JTQLQIEISA-N 191.278 1.433 10 10 ADCE [N-]=[N+]=NCCCCn1ccccc1=O 1912146600 SQVLLUIYQVTKSX-UHFFFAOYSA-N 192.222 1.939 10 10 ADCE [N-]=[N+]=NCCc1cnc(O)cc1O 1951690588 WPTHDUJYOIMFSS-UHFFFAOYSA-N 180.167 1.346 10 10 ADCE CN[C@@H](COC)c1cccc(C)c1O 1951860646 MUSICEGRCMRNBM-JTQLQIEISA-N 195.262 1.608 10 10 ADCE CO[C@@H](C)CCN1CC(N=[N+]=[N-])C1 1954868433 GTRMJDHZZIFMDV-ZETCQYMHSA-N 184.243 1.406 10 10 ADCE CC(C)(C)c1sc(N)c(O)c1N 2080411011 KWMNWMRUBJGZQF-UHFFFAOYSA-N 186.280 1.916 10 10 ADCE Nc1ccc(NCCC2(O)CC2)cc1 2209675554 IGUMUTCRNIKDFK-UHFFFAOYSA-N 192.262 1.596 10 10 ADCE COC(=O)N1CCC[C@H](N=[N+]=[N-])C1 59051471 KAGKTAKBTABZPB-LURJTMIESA-N 184.199 1.528 10 10 ADCE C[C@@H](C(=N)N)c1ccc(O)c(O)c1 84335371 KRSQGQLXMSETIA-RXMQYKEDSA-N 180.207 1.137 10 10 ADCE O=C(O)c1ccc(O)c([C@@H]2CCN2)c1 104461003 LSJAEJFEQGMICA-QMMMGPOBSA-N 193.202 1.125 10 10 ADCE COC[C@@H](N)c1ccc(C)cc1O 104667050 XTCKIKDJEJFGJS-SECBINFHSA-N 181.235 1.347 10 10 ADCE CC1(NCc2ccc(O)cc2O)CC1 124441376 BSNZQZRNWDIXSQ-UHFFFAOYSA-N 193.246 1.740 10 10 ADCE [N-]=[N+]=N[C@@H](C(=O)O)[C@@H]1CCSC1 238668777 LBJNYSPVPVTZEQ-RFZPGFLSSA-N 187.224 1.503 10 10 ADCE C[C@@H]1CN(C)c2ccc(CN)cc2N1 259374923 VSCKIBQVLWQLKG-MRVPVSSYSA-N 191.278 1.396 10 10 ADCE N=C1COc2ccccc2C1=O 306811331 WQENDWNLZYUJHY-UHFFFAOYSA-N 161.160 1.281 10 10 ADCE C[C@H]1[C@@H](N(C)C)CCN1CCN=[N+]=[N-] 381783186 GEUUFZLKELPHAN-IUCAKERBSA-N 197.286 1.321 10 10 ADCE CC1(C)CN(CCCN=[N+]=[N-])C[C@H]1O 388506568 OJUHJXZWXAQFDD-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CC1(C)CN(CCCN=[N+]=[N-])C[C@@H]1O 388506577 OJUHJXZWXAQFDD-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE C/C(=C/c1nccn1C)C1CNC1 686261835 GGWRBLNPMSMUFH-YVMONPNESA-N 177.251 1.043 10 10 ADCE C[C@@H](F)CN(C)CCN=[N+]=[N-] 1880163605 YWQHPHGNRLCEOR-ZCFIWIBFSA-N 160.196 1.587 10 10 ADCE CCN(O)C(=O)Nc1ccc(N)cc1 1888893286 YFISAMXKDLKXCZ-UHFFFAOYSA-N 195.222 1.512 10 10 ADCE C[C@@H]1C[C@H](Nc2ccc(N)cc2)CN1 1888920927 AUETYUULJQWPGI-KCJUWKMLSA-N 191.278 1.431 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H](F)C1=O 1889042758 PSSTZCPJJPNAOZ-LURJTMIESA-N 186.190 1.257 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@H]2C=CCC2)C1 1912177487 FOFGTMPQHLQTEH-ZETCQYMHSA-N 192.222 1.474 10 10 ADCE CC(=O)C(=O)[C@H](O)C1CC2(CCC2)C1 1955320566 OMHJFFRNLORFTR-SNVBAGLBSA-N 196.246 1.086 10 10 ADCE CC1(C)CN(CCCN=[N+]=[N-])C[C@@H]1N 1957242926 CDDJZUNBCFLTBZ-QMMMGPOBSA-N 197.286 1.356 10 10 ADCE CN(CCCN=[N+]=[N-])CC(C)(C)CN 1957249003 HIPYAZWBNRQFKJ-UHFFFAOYSA-N 199.302 1.604 10 10 ADCE Cc1cccc([C@@H](C)NN)c1O 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DMJHIHLTVNNJHW-PHDIDXHHSA-N 182.227 1.315 10 10 ADCE Nc1cccc(F)c1N[C@@H]1C[C@H]1CO 1955090823 LHGXQXCCWDHOHW-IMTBSYHQSA-N 196.225 1.201 10 10 ADCE [N-]=[N+]=NCC(=O)Nc1ccccc1N 1956946725 CTPSOOUAYMRVAY-UHFFFAOYSA-N 191.194 1.518 10 10 ADCE [N-]=[N+]=NCC(=O)Nc1cccc(N)c1 1956947284 NNIWVDBJKSFAKC-UHFFFAOYSA-N 191.194 1.518 10 10 ADCE Oc1ccccc1CNCC1(O)CC1 1970559277 JIFCYIBBLYKRFP-UHFFFAOYSA-N 193.246 1.007 10 10 ADCE COc1cc2c(c(O)c1O)[C@@H](C)OC2 13412745 HKKIPBZGPPCEMB-RXMQYKEDSA-N 196.202 1.698 10 10 ADCE [N-]=[N+]=NC[C@H](O)CN1CCCCC1 34290750 WFBIERASOGNZFL-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE C[C@H]1CCS[C@H](CN=[N+]=[N-])N1 87604212 QXUURCCIFSULGQ-NTSWFWBYSA-N 172.257 1.738 10 10 ADCE C[C@@H](CN=[N+]=[N-])N=[N+]=[N-] 141629130 ZGBMFLPUYNBNPA-VKHMYHEASA-N 126.123 1.996 10 10 ADCE CCc1ccc(O)c(O)c1[N+](=O)[O-] 201215021 XWCZZIDBRDRHEL-UHFFFAOYSA-N 183.163 1.568 10 10 ADCE Nc1ccc(Nc2ccncn2)nc1 211384681 UZIWPIZYPUOQON-UHFFFAOYSA-N 187.206 1.197 10 10 ADCE N[C@@H](CCO)c1cc(CF)ccc1O 214164712 WXCCFDPXDGWANS-VIFPVBQESA-N 199.225 1.244 10 10 ADCE Nc1cccc([C@@H](N)C2CC2)c1O 238578368 FCRLMQPGXBXHIR-VIFPVBQESA-N 178.235 1.384 10 10 ADCE C[C@H](N)c1cc(O)c(O)c(F)c1 257977422 JEWOBDGRUGWHFX-BYPYZUCNSA-N 171.171 1.257 10 10 ADCE Oc1ccccc1[C@H]1NCCCO1 258604165 QUBIAVOBBVPDFO-JTQLQIEISA-N 179.219 1.401 10 10 ADCE CC[C@@H](NO)c1ccc(O)c(O)c1 306400587 ONFJYGRDOGCFEF-SSDOTTSWSA-N 183.207 1.528 10 10 ADCE CC1=C(c2nccn2C)CNCC1 306793841 RTWRVYREAMDAKR-UHFFFAOYSA-N 177.251 1.187 10 10 ADCE CN(C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 403621703 BZCVKVVTAVZNIE-ZETCQYMHSA-N 197.242 1.443 10 10 ADCE CNN[C@@H](C)c1cc(C)ccc1O 704699522 QKCGYWNGASMSRT-QMMMGPOBSA-N 180.251 1.486 10 10 ADCE CNC(=O)N1CCC[C@H](CN=[N+]=[N-])C1 885854036 LNUFQNKWXYGLMV-SSDOTTSWSA-N 197.242 1.348 10 10 ADCE C[C@@H](N)[C@@H](C)Nc1ccc(N)cc1 1883134674 VLNYQPVQIDJWFJ-HTQZYQBOSA-N 179.267 1.416 10 10 ADCE CC(C)OCCCN1CC(N=[N+]=[N-])C1 1912159524 IYFMYGPHMVGWAE-UHFFFAOYSA-N 198.270 1.796 10 10 ADCE CO[C@H](CN=[N+]=[N-])C1CCOCC1 1912186212 AYWNOFPIOJFNEQ-MRVPVSSYSA-N 185.227 1.738 10 10 ADCE CN(CCN=[N+]=[N-])CCOC(F)F 1912189515 WSNSDTGTWLNLJC-UHFFFAOYSA-N 194.185 1.468 10 10 ADCE CC(=O)C(=O)c1cncc(Cl)c1 1951943796 RJPZRLDOXJZSQI-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE CC(C)(CN=[N+]=[N-])S(C)(=O)=O 1953206886 CXFMWOABGPIPST-UHFFFAOYSA-N 177.229 1.120 10 10 ADCE COc1ccc(N2C[C@H](O)[C@@H]2C)cc1 2209623759 CHTTUICLYACVBN-KWQFWETISA-N 193.246 1.265 10 10 ADCE CC[C@H](C)[C@H](N=[N+]=[N-])[C@H](O)CO 34567462 LADCEWSUZRKFST-XVMARJQXSA-N 173.216 1.065 10 10 ADCE C[C@H](c1ccccc1O)N(C)C(N)=O 38089797 WAGRYTLHHKCSQI-SSDOTTSWSA-N 194.234 1.464 10 10 ADCE CONCc1cc(F)ccc1O 75067662 CWQJPSHHCJFDKM-UHFFFAOYSA-N 171.171 1.182 10 10 ADCE Oc1ccccc1[C@H]1NCCC[C@@H]1O 82388187 SXVHPLIHWFANAK-WDEREUQCSA-N 193.246 1.178 10 10 ADCE CC[C@@H](N)c1cccc(C(=O)O)c1O 104454920 XJIPZZDFWZPQLX-MRVPVSSYSA-N 195.218 1.500 10 10 ADCE COc1ccc(O)c([C@H]2CCCN2)c1 104677383 GOQWMVJELWRTOP-SNVBAGLBSA-N 193.246 1.825 10 10 ADCE COc1ccc2c(c1)C[C@H](CN)N2C 107295661 YHUKLTJHBOJXSN-SECBINFHSA-N 192.262 1.015 10 10 ADCE COc1ccc2c(c1)C[C@@H](CN)N2C 107295664 YHUKLTJHBOJXSN-VIFPVBQESA-N 192.262 1.015 10 10 ADCE [N-]=[N+]=NCc1cncs1 156202986 XKWZJTLSKYAKFQ-UHFFFAOYSA-N 140.171 1.953 10 10 ADCE Nc1ccc(N2CCCO2)cc1 164132191 ZSOAZQNOEHPZQI-UHFFFAOYSA-N 164.208 1.411 10 10 ADCE O=C1c2cc[nH]c2C(=O)c2[nH]ccc21 196465943 MEWAEWVNWUVSDG-UHFFFAOYSA-N 186.170 1.118 10 10 ADCE O=NCc1ccccc1O 199827487 PUNVNOQWQQPNES-UHFFFAOYSA-N 137.138 1.659 10 10 ADCE CCC[C@@H](N=[N+]=[N-])[C@@H]1COC(=O)N1 238244010 KXEFIWXEVFOJOS-RITPCOANSA-N 184.199 1.574 10 10 ADCE [N-]=[N+]=N[C@@H]1CC(O)C[C@@H](N=[N+]=[N-])C1 238645636 FQLIMCOCGHZVQA-WHFBIAKZSA-N 182.187 1.889 10 10 ADCE N#C/N=N/c1ccc(O)cc1 307122689 MHGGXXIBIJEUGU-MDZDMXLPSA-N 147.137 1.957 10 10 ADCE Cc1nnc(CCN=[N+]=[N-])o1 725270005 BQIGOKGFRUSKJM-UHFFFAOYSA-N 153.145 1.231 10 10 ADCE N[C@@H](CF)c1c(O)cccc1O 757136047 YJPLBSFWPXAWEE-YFKPBYRVSA-N 171.171 1.067 10 10 ADCE C[C@@H]1N[C@H](CN=[N+]=[N-])OC1(C)C 885319176 PDTWCTQHCKSIGS-WDSKDSINSA-N 170.216 1.410 10 10 ADCE Cc1cnc([C@H](CO)N=[N+]=[N-])cn1 1535854287 GKRNPRLRBNHJQK-ZETCQYMHSA-N 179.183 1.129 10 10 ADCE CC[S@@](=O)N1CC[C@@H](N=[N+]=[N-])C1 1912172904 XRNTUZMVTQCJIO-SREIQFSDSA-N 188.256 1.055 10 10 ADCE COCC[C@@](C)(N)c1ccccc1O 1928476291 HTRMEDLRAHWYTQ-LLVKDONJSA-N 195.262 1.603 10 10 ADCE CCCONCc1ccc(N)cc1 1929716911 QKTBKPOAELWAEL-UHFFFAOYSA-N 180.251 1.700 10 10 ADCE O=C1CC[C@H](c2cccc(O)c2O)O1 1951868809 OYDCIDPRDQTCSQ-MRVPVSSYSA-N 194.186 1.476 10 10 ADCE Oc1ccc(CCC2CNC2)cc1O 1952147956 DLMKSDKETIZQBQ-UHFFFAOYSA-N 193.246 1.250 10 10 ADCE Oc1ccc(F)cc1[C@H]1C[C@@H](F)CN1 1952883584 NJDMRILJIDHAPG-VXNVDRBHSA-N 199.200 1.904 10 10 ADCE CCC[C@@H]1COCCN1CCN=[N+]=[N-] 1956766005 LEXGLNDGHABJAY-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC[C@H](NN)c1c(O)cccc1OC 2080487561 BPBADMDALNLIRI-ZETCQYMHSA-N 196.250 1.315 10 10 ADCE [N-]=[N+]=NCc1ncoc1C1CNC1 2080995641 IXKOSTHDPAIULI-UHFFFAOYSA-N 179.183 1.172 10 10 ADCE N#CN[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2208941118 LUECXUKPCLSWMS-RITPCOANSA-N 151.173 1.288 10 10 ADCE Cc1ccc[n+](Cc2ccc(N)cc2)c1 31974061 FQWIJMHLFFQSFM-UHFFFAOYSA-N 199.277 1.913 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccsc1 42012177 QVLLUFBUYMKIBU-UHFFFAOYSA-N 196.235 1.788 10 10 ADCE CC1(C)CC(=O)N(CCN=[N+]=[N-])C1=O 83687191 UHVHKQFLRGNCOY-UHFFFAOYSA-N 196.210 1.082 10 10 ADCE CC(C)[C@@H](CO)Nc1ccc(N)cc1 86119866 ZXYRPNNPJDELEC-LLVKDONJSA-N 194.278 1.698 10 10 ADCE CC[C@H](N)c1cc(F)cc(OC)c1O 95714725 FMMGEZWZSSMNBW-QMMMGPOBSA-N 199.225 1.950 10 10 ADCE CCCCOC(=O)CN=[N+]=[N-] 104702984 UEBMIOQXPJRUNQ-UHFFFAOYSA-N 157.173 1.640 10 10 ADCE CC(=O)C(=O)[C@@H](C)C(C)(C)C 196088610 XOSMNMDVLNIJDS-ZCFIWIBFSA-N 156.225 1.827 10 10 ADCE C[C@@H](F)c1ccc(O)c([C@@H](N)CO)c1 214165354 CWNIJBCCPKWNLG-MUWHJKNJSA-N 199.225 1.415 10 10 ADCE CCOc1cccc(O)c1C1(N)CC1 214728176 VJEPROJMFSVUMW-UHFFFAOYSA-N 193.246 1.739 10 10 ADCE CC1(C)C[C@@H]1C(=O)NCCN=[N+]=[N-] 232828140 YIYBIQXWIKQRCH-ZCFIWIBFSA-N 182.227 1.459 10 10 ADCE CC(=O)O[C@H]1COCC[C@H]1N=[N+]=[N-] 238098388 CECMKJKRCDCALV-RQJHMYQMSA-N 185.183 1.017 10 10 ADCE Cc1cc(O)c([C@H](N)[C@@H](C)O)cc1C 238414948 CBEMYPFWWLODHL-LDYMZIIASA-N 195.262 1.390 10 10 ADCE CC(=O)C(=O)[C@H](C)[C@H](C)C(C)=O 238426143 XLHLJIDEHJSKET-NTSWFWBYSA-N 170.208 1.006 10 10 ADCE [N-]=[N+]=N/C=C1\C(=O)O[C@@H]2CCC[C@@H]12 238594412 VKKGMXMKXGONJM-ZKLKHFGNSA-N 179.179 1.906 10 10 ADCE C[C@@H]1CCC(=O)N1CCCN=[N+]=[N-] 308328537 ITSHGSDZBAIWNC-SSDOTTSWSA-N 182.227 1.698 10 10 ADCE CCCONCc1ccccc1O 315335822 BNLOQFYXIHJPOJ-UHFFFAOYSA-N 181.235 1.823 10 10 ADCE [N-]=[N+]=NS(=O)(=O)c1ccsc1 714353946 HVKZBOZZVVNRRM-UHFFFAOYSA-N 189.221 1.747 10 10 ADCE [N-]=[N+]=NC[C@@H]1NC2(CCCCC2)CO1 885814832 SNDBHLOLSOEKSI-MRVPVSSYSA-N 196.254 1.946 10 10 ADCE Cc1ccc([C@@]2(N)CC2(F)F)c(O)c1 1536130838 SJGYPSMBJXMSBF-VIFPVBQESA-N 199.200 1.894 10 10 ADCE Cn1ccnc1C=C[C@]1(C)CCNC1 1897332818 ADSSYNVBFBELKG-LLVKDONJSA-N 191.278 1.433 10 10 ADCE CCOC(=O)CC1(N=[N+]=[N-])CC1 1912194765 WJHYHWNDVZTPCO-UHFFFAOYSA-N 169.184 1.783 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)c1ccccc1 1929120057 PJKAEXDHVYMERA-NSHDSACASA-N 192.214 1.052 10 10 ADCE CC(=O)C(=O)CCC(F)(F)F 1951499711 HMOCTWRZVLZRME-UHFFFAOYSA-N 168.114 1.487 10 10 ADCE CC[C@@H](CN)[C@@H](N)c1ccccc1O 1956167975 AAQZGVJVBRCNGM-GZMMTYOYSA-N 194.278 1.377 10 10 ADCE Cc1sc(C(=O)O)c(O)c1N 2080390420 HLOPNKVRBLQFQV-UHFFFAOYSA-N 173.193 1.043 10 10 ADCE [N-]=[N+]=NC[C@]12COC[C@H](C1)C2 2208967762 MBJSQRLUHSFGOB-KNVOCYPGSA-N 153.185 1.723 10 10 ADCE C[C@@H]1C[C@H]1C(=O)NCCCN=[N+]=[N-] 42012883 ZWMRBTPJJZVWNK-RNFRBKRXSA-N 182.227 1.459 10 10 ADCE Cn1ccc2cc(F)c(CCN)cc21 82321898 NUBCUAVILYYBJC-UHFFFAOYSA-N 192.237 1.819 10 10 ADCE NCc1ccc(F)c(F)c1O 82632318 QLUQVLOLVCDKFT-UHFFFAOYSA-N 159.135 1.129 10 10 ADCE Cc1ccc(O)c([C@@H]2CCN2)c1 95784739 ZBHLHDQQEUQATF-VIFPVBQESA-N 163.220 1.735 10 10 ADCE CON[C@@H](C)c1ccc(N(C)C)cc1 134236025 KJMOYFGHEWLSQO-VIFPVBQESA-N 194.278 1.965 10 10 ADCE Cc1ccc(Cl)c(CNO)c1O 214505686 KDNAFJRHSQFICU-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE CC(=O)C(=O)C1CCCC1 238043617 IAVDBBBLJDLZSD-UHFFFAOYSA-N 140.182 1.335 10 10 ADCE C[C@H](NC=O)c1ccccc1O 238435743 DMPPOBSMJBCYNF-ZETCQYMHSA-N 165.192 1.199 10 10 ADCE Cc1cc(S)cc(O)c1O 238504387 QOABCKKXSNBSGU-UHFFFAOYSA-N 156.206 1.695 10 10 ADCE F/N=N/F 256114010 DUQAODNTUBJRGF-ONEGZZNKSA-N 66.010 1.208 10 10 ADCE CN1CC[C@H](O)[C@@H]1c1ccccc1O 257885233 WCGOTEIQFLEXIN-QWRGUYRKSA-N 193.246 1.130 10 10 ADCE Cc1c(CON)cc(O)c(O)c1C 258009068 HHOXVOYSEBGZNS-UHFFFAOYSA-N 183.207 1.105 10 10 ADCE CN1[C@H]2CC[C@@H]1C[C@@H](N=[N+]=[N-])C2 306159387 DGQGIIUEBHRECC-WHUPJOBBSA-N 166.228 1.922 10 10 ADCE CON[C@@H]1CCc2cccc(O)c21 307204520 GNDNMZBUUZVCQC-MRVPVSSYSA-N 179.219 1.531 10 10 ADCE C[C@@H](O)/C=C/CN=[N+]=[N-] 687756411 WNFLKTLHFZBXAS-WVSAJJKCSA-N 127.147 1.234 10 10 ADCE CO[C@@H]1C[C@@H]1COc1ccc(N)cc1 1887303313 PKLYUYVGRZJSHH-LDYMZIIASA-N 193.246 1.683 10 10 ADCE C[C@H]1CC[C@@H](C(=O)NCCN=[N+]=[N-])C1 1912161104 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[N-]=[N+]=NCCNC(=O)C1C[C@H]2C[C@@H]2C1 126687839 FLJXDNYLBRKALF-RNFRBKRXSA-N 194.238 1.459 10 10 ADCE CC/N=N/Nc1ccc(C(N)=O)cc1 197373098 IPWHDLAUIWYCGL-UHFFFAOYSA-N 192.222 1.585 10 10 ADCE CCON[C@H](C)c1c(O)cccc1O 233739092 VPAQOINBAGVSLN-SSDOTTSWSA-N 197.234 1.700 10 10 ADCE CC[C@@H](C)[C@@H](N=[N+]=[N-])C(=O)OC 238269333 NTLKRMPYLPJNIZ-PHDIDXHHSA-N 171.200 1.884 10 10 ADCE CN1CCC[C@H](N)c2c(O)cccc21 257804646 SZONECAEGPYZRD-QMMMGPOBSA-N 192.262 1.622 10 10 ADCE C[C@@H](CO)c1cc(O)c(O)c(F)c1 258179022 WKCPWLHZRCEVKT-YFKPBYRVSA-N 186.182 1.333 10 10 ADCE OCc1c(O)c(O)cc(Cl)c1F 258203176 YPFSPEKYDNNKRM-UHFFFAOYSA-N 192.573 1.383 10 10 ADCE CN1[C@H]2CC[C@@H]1C[C@H](N=[N+]=[N-])C2 306159379 DGQGIIUEBHRECC-RNLVFQAGSA-N 166.228 1.922 10 10 ADCE OCC/N=N/C1CCCCC1 306596867 NEDPPPROEOHBHN-MDZDMXLPSA-N 156.229 1.764 10 10 ADCE C/C(=C\[C@H](C)N=[N+]=[N-])CO 306778500 QPTHROPZCIAWSV-QVQDZQDPSA-N 141.174 1.624 10 10 ADCE Nc1cc(O)c2scc(O)c2c1 306907369 DSIKJBLKEYKGDF-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE C[C@H]1COC[C@H]1Nc1ccc(N)cc1 699499337 GREYNXDAYUCRPW-GZMMTYOYSA-N 192.262 1.716 10 10 ADCE CC1=C=S=C(C)[C-]1C(=O)C[C@@H](C)N 885870459 KTLISBHYXDIAQT-SSDOTTSWSA-N 196.295 1.154 10 10 ADCE C=Cn1cc(CCN=[N+]=[N-])cn1 1535656499 VNMPZZNWJKREKB-UHFFFAOYSA-N 163.184 1.836 10 10 ADCE CC(C)(CCN)c1cccc(O)c1O 1535737644 STJFRWHOSQTQCP-UHFFFAOYSA-N 195.262 1.724 10 10 ADCE C[C@H]1[C@@H](O)CN1CCCCN=[N+]=[N-] 1882447468 PUVLVEZZCOCPQC-YUMQZZPRSA-N 184.243 1.142 10 10 ADCE C[C@@H](CCN)Nc1ccc(N)cc1 1883133797 ICYKTLLZNOUNMC-QMMMGPOBSA-N 179.267 1.418 10 10 ADCE C[C@H]1CNC[C@H]1Nc1ccc(N)cc1 1888906064 YABIIZMEJFCUJO-GZMMTYOYSA-N 191.278 1.289 10 10 ADCE Oc1ccc(F)cc1[C@@H]1C[C@@H](F)CN1 1952883577 NJDMRILJIDHAPG-APPZFPTMSA-N 199.200 1.904 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC2(CC2)[C@@H]1O 1953735327 LKRNBVJZTWJASL-NKWVEPMBSA-N 167.212 1.990 10 10 ADCE CCC[C@H]1COCCN1CCN=[N+]=[N-] 1956766006 LEXGLNDGHABJAY-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC[C@@H](NN)c1cccc(C)c1O 2080473605 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LZVRSSNXAUHTOP-MRVPVSSYSA-N 181.210 1.867 10 10 ADCE Nc1c(F)cc2c(c1O)[C@H](N)CC2 238637554 NCOSKLYFIFENJR-ZCFIWIBFSA-N 182.198 1.060 10 10 ADCE Oc1ccccc1[C@@H]1NC[C@@H]2C[C@@H]21 238728132 YGQWFVFDWYJKND-ARENWVFISA-N 175.231 1.673 10 10 ADCE Cc1cc(O)c(O)cc1[C@@H](C)N 257826750 HKIJBMIEGWSANM-ZCFIWIBFSA-N 167.208 1.426 10 10 ADCE CONCc1ccc(O)c(C)c1O 258113463 PXSJBCIEAFOMFK-UHFFFAOYSA-N 183.207 1.057 10 10 ADCE C[C@@]1(c2ccccc2O)CCN1 258345010 VQNYRSDWJFEOJW-JTQLQIEISA-N 163.220 1.601 10 10 ADCE [N-]=[N+]=NC[C@H]1OCC[C@]12CCCOC2 757214183 VJVBOGXWDOHCJJ-BDAKNGLRSA-N 197.238 1.882 10 10 ADCE Cn1ccnc1C=C[C@H]1CCNC1 1883941253 XIPIMQWTIIIWND-VIFPVBQESA-N 177.251 1.043 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@H]1C[C@H]1F 1887717550 LUQJMAHMUFBRSF-HTQZYQBOSA-N 186.234 1.977 10 10 ADCE CC(C)(CCN)Nc1ccc(N)cc1 1888922376 CZKMERLUZRMZGJ-UHFFFAOYSA-N 193.294 1.808 10 10 ADCE CCOC(=O)C(Br)=CO 1911537122 DPZFKDBCMCWFOE-UHFFFAOYSA-N 195.012 1.344 10 10 ADCE CC(C)CNC(=O)N1CC(N=[N+]=[N-])C1 1912165190 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[N-]=[N+]=N[C@H]1C=C[C@@H](C(=O)O)C1 238622468 ANXTZBKYJPLOTP-UHNVWZDZSA-N 153.141 1.326 10 10 ADCE [N-]=[N+]=NC1CCC(=O)CC1 238651250 ISYGBKKXGBZLTQ-UHFFFAOYSA-N 139.158 1.808 10 10 ADCE NCc1c(O)ccc2cnccc12 259890136 ZBIKMMNIUTZOTP-UHFFFAOYSA-N 174.203 1.399 10 10 ADCE CCON(C)Cc1ccc(N)cc1 396462806 JPXSLFZJKFNKRZ-UHFFFAOYSA-N 180.251 1.652 10 10 ADCE CCC(=O)N1CCC[C@H]1CN=[N+]=[N-] 691685033 YJIRCXABSSTXTO-ZETCQYMHSA-N 182.227 1.698 10 10 ADCE C[C@@]1(CO)C[C@@H]1c1cccc(O)c1O 1951969377 QIDNXILKQYDLHL-KCJUWKMLSA-N 194.230 1.584 10 10 ADCE CN[C@@H](CF)c1cc(C)ccc1O 1952559623 LGNZQMKYRSYJEE-VIFPVBQESA-N 183.226 1.931 10 10 ADCE COc1ccc(N(C)C)c(O)c1 95719900 WALUWQHOXQHKDI-UHFFFAOYSA-N 167.208 1.467 10 10 ADCE Nc1ccc(CC=S)cc1 143229943 WXPYUMTYTSAQNS-UHFFFAOYSA-N 151.234 1.811 10 10 ADCE C[C@@H]1C[C@H]1N=[N+]=[N-] 196447012 PKSJFBWRQJMPBX-QWWZWVQMSA-N 97.121 1.705 10 10 ADCE CCc1ccc(O)c(C2(N)CC2)c1 214161890 QNFPATQWKHIKHO-UHFFFAOYSA-N 177.247 1.902 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@@H]2CC(=O)O[C@@H]21 238647176 QWZKELBBYDSIJR-XAHCXIQSSA-N 167.168 1.391 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCCOC1=O 238655179 XOBKWSHYMHFBQB-RXMQYKEDSA-N 155.157 1.392 10 10 ADCE C[C@H]1CN(c2ccc(N)cc2)C[C@H]1O 307594461 IRYXCWCEHWHORF-GZMMTYOYSA-N 192.262 1.086 10 10 ADCE CNc1ccc(N=NC(N)=O)cc1 308027352 YJOQBOPJHXXJHN-UHFFFAOYSA-N 178.195 1.891 10 10 ADCE CC1(C)CN[C@H](CN=[N+]=[N-])OC1 885319358 UQOLFXAVMLZNAY-LURJTMIESA-N 170.216 1.269 10 10 ADCE CN(CC1(N)CC1)c1ccc(N)cc1 1888934562 TVDLVUXECWIVSI-UHFFFAOYSA-N 191.278 1.196 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@@H]1O 1890273745 ZPGOHOKRIBCXIS-IUCAKERBSA-N 198.270 1.390 10 10 ADCE NC1(c2cccc([N+](=O)[O-])c2O)CC1 1951403332 RTABHSJFQIPTET-UHFFFAOYSA-N 194.190 1.248 10 10 ADCE CC[C@@H]1C[C@]1(N)c1cc(O)ccc1O 1951730674 RVWAQDCIDCBQRZ-RDDDGLTNSA-N 193.246 1.682 10 10 ADCE Nc1ccc(N[C@H]2C[C@@H](O)C2)cc1 1954387883 NTUQVBCNCMEJNQ-AOOOYVTPSA-N 178.235 1.204 10 10 ADCE C[C@@H]1CC[C@H](CN)CN1CCN=[N+]=[N-] 1957242535 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1.477 10 10 ADCE C[C@@H]1CN[C@H](c2ccccc2O)O1 258614176 QYWSTPXMUJODKZ-XCBNKYQSSA-N 179.219 1.399 10 10 ADCE Nc1ccc(N2CCC[C@@H](N)C2)cc1 259680320 JBPJSTLDIIDFPG-SNVBAGLBSA-N 191.278 1.196 10 10 ADCE [N-]=[N+]=NCCN1CCC1 307190212 WTDCJKJGPFMTJW-UHFFFAOYSA-N 126.163 1.002 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C(=O)C1 307469208 STYFKYANTUCLHJ-ZETCQYMHSA-N 182.227 1.555 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cccc(O)c1 1535819029 JAXQLCPOPSJXMI-MRVPVSSYSA-N 179.179 1.736 10 10 ADCE Nc1ccccc1N[C@H]1CC[C@H](O)C1 1885025082 JUMARJRFHRCWHQ-IUCAKERBSA-N 192.262 1.594 10 10 ADCE CN1C[C@H]2C[C@H]1CN2CCCN=[N+]=[N-] 1887153751 BLLNBOOWFCOMCW-DTWKUNHWSA-N 195.270 1.075 10 10 ADCE CC[C@@H]1CCC[C@@](O)(C(=O)C(C)=O)C1 1929195351 FOFIDUKKNJLSCB-KOLCDFICSA-N 198.262 1.476 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@@H](C)CC(C)C 1929219777 DJKVNBYLGUIKAA-IONNQARKSA-N 186.251 1.188 10 10 ADCE Oc1ccccc1CNC1[C@H]2CC[C@H]12 1955448860 IBOPDXBBRQMKMU-UWVGGRQHSA-N 189.258 1.890 10 10 ADCE CNC[C@@H]1CCCCN1CCN=[N+]=[N-] 1957244084 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KVJXPSMRUBJMNP-UHFFFAOYSA-N 193.246 1.398 10 10 ADCE CCC[C@H](NO)c1ccc(O)cc1O 308369890 AGKHNJWZPJRSBP-VIFPVBQESA-N 197.234 1.918 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCCS1(=O)=O 575564492 GMNQQJYPGWTOFH-LURJTMIESA-N 189.240 1.264 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@H](C2CCCC2)CO1 885814338 CMLOYKUAQLWDKS-IUCAKERBSA-N 196.254 1.801 10 10 ADCE Cc1ccc(CN2CCC2)c(O)c1 1140948542 MWLNXIZUIJMDIH-UHFFFAOYSA-N 177.247 1.906 10 10 ADCE CNC(C)(C)Cc1cccc(O)c1O 1535733642 CDNTWRJYSGLIKU-UHFFFAOYSA-N 195.262 1.638 10 10 ADCE CCc1cccc([C@@H](O)CN=[N+]=[N-])n1 1885133053 RHRMUCYNGPABPY-VIFPVBQESA-N 192.222 1.988 10 10 ADCE Cc1ccc(C)n1-c1cc(F)n(C)n1 1886016243 ZDZQEKKUWWCAKF-UHFFFAOYSA-N 193.225 1.967 10 10 ADCE CN1CCC[C@@H]1CN1CC(N=[N+]=[N-])C1 1912175358 KZPBKSFEJQVQTF-SECBINFHSA-N 195.270 1.075 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H](O)C2(CC2)C1 1912206032 ICSBUFAHGUYJMI-QMMMGPOBSA-N 196.254 1.144 10 10 ADCE CON(CCCN=[N+]=[N-])C(C)C 1912210553 LCFCWKWGSQDRIK-UHFFFAOYSA-N 172.232 1.959 10 10 ADCE C[C@]1(c2ccc(F)cc2O)CCN1 1952217576 GGOKNENJIVJIMZ-SNVBAGLBSA-N 181.210 1.740 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCC2(CCNCC2)O1 1956052593 COBZHVXILQFMJH-QMMMGPOBSA-N 196.254 1.598 10 10 ADCE CN[C@H]1CCCN(CCCN=[N+]=[N-])C1 1957246514 BMZXUPHWDODLJG-VIFPVBQESA-N 197.286 1.371 10 10 ADCE O=[N+]([O-])/C=C/c1cc(O)c(O)c(O)c1 2519304 KWYJASBNCVFQRR-OWOJBTEDSA-N 197.146 1.051 10 10 ADCE CC[C@@H](CN)c1ccc(O)c(O)c1 84336171 YMLUMBUQJMSFTM-ZETCQYMHSA-N 181.235 1.550 10 10 ADCE CNCc1cc2c(cc1O)C[C@@H](C)O2 107356784 IRDXFTQUGDYRNS-SSDOTTSWSA-N 193.246 1.435 10 10 ADCE C[C@H](N)C[C@@H](C)c1ccc(O)c(O)c1 107429811 ODPRRIIAKGRNAL-SFYZADRCSA-N 195.262 1.939 10 10 ADCE C[C@H](O)CCN(C)c1ccc(N)cc1 133859683 XURADLZSIJOSCY-VIFPVBQESA-N 194.278 1.476 10 10 ADCE C[C@H]1NCCc2cc(O)cc(O)c21 212809513 SRKYUFSSBLFNNA-ZCFIWIBFSA-N 179.219 1.305 10 10 ADCE CC(C)(CN)c1cc(O)c(O)cc1O 238106265 CEIZVOSOSUVPIU-UHFFFAOYSA-N 197.234 1.040 10 10 ADCE C[C@H](N)c1ccc(N2CCC2)cc1O 306926740 QWSXMLHUYKNOCQ-QMMMGPOBSA-N 192.262 1.622 10 10 ADCE Cc1cccc([C@H](N)CCN)c1O 307079170 FTBKGRXIRATNKH-SECBINFHSA-N 180.251 1.049 10 10 ADCE CC(=S)c1cccn1C 307145829 MTOPBGVKLWBKOG-UHFFFAOYSA-N 139.223 1.763 10 10 ADCE CCN1CCC[C@@H]1CN=[N+]=[N-] 1880219088 FPOFGUGYFWVZMD-SSDOTTSWSA-N 154.217 1.781 10 10 ADCE Nc1ccccc1N[C@@H]1CCNC1 1883132749 FRNDVKVMGNRWDT-MRVPVSSYSA-N 177.251 1.043 10 10 ADCE COC[C@@]1(C)CCN1CCCN=[N+]=[N-] 1884791164 IFLJQDVWMBBYSN-SECBINFHSA-N 198.270 1.798 10 10 ADCE NCc1ccc(N2CC[C@@H]2CF)cc1 1886117500 DUZSDUXQSQQFSQ-LLVKDONJSA-N 194.253 1.694 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])CCN1 1892596978 CVBAWXNEPHLFHH-SECBINFHSA-N 197.286 1.371 10 10 ADCE Cn1ccnc1C=C[C@H]1CCCNC1 1899438190 FJPFZQXPDRUQBH-SNVBAGLBSA-N 191.278 1.433 10 10 ADCE CCCNCCC=Cc1nccn1C 1911554542 NQSQWMOTGMONLY-UHFFFAOYSA-N 193.294 1.823 10 10 ADCE CO[C@H]1CCN(CCCCN=[N+]=[N-])C1 1912153114 DJMDJFGFCAWKQG-VIFPVBQESA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2CC23CC3)C1 1912192344 DSWCFVUEDYYJHY-SSDOTTSWSA-N 178.239 1.781 10 10 ADCE [N-]=[N+]=NCCCN1CC2(CC2)C1 1912196964 ODUNSUJBPUPXOP-UHFFFAOYSA-N 166.228 1.783 10 10 ADCE O=C(O)C=CSc1nccs1 1951349816 MQLONYFTFGXQHS-UHFFFAOYSA-N 187.245 1.834 10 10 ADCE CC[C@H](C(=O)O)c1cc(O)nc(O)c1 1952218761 QHPHRBHXRFRHPS-LURJTMIESA-N 197.190 1.071 10 10 ADCE Oc1cccc(O)c1[C@@H]1C[C@H](F)CN1 1952889211 BXQBDBUSYDAQFW-BQBZGAKWSA-N 197.209 1.470 10 10 ADCE [N-]=[N+]=NCC1(CO)CCOCC1 1953523020 LANDVBRCIHTZJX-UHFFFAOYSA-N 171.200 1.086 10 10 ADCE CCOC(=O)CC(=O)[C@@H](CC)N=[N+]=[N-] 1956000321 QPPKFGWBRZKEEX-ZCFIWIBFSA-N 199.210 1.598 10 10 ADCE CC(C)[C@@H](NN)c1ccc(F)cc1O 2080463516 LBISQINNGQCALF-SNVBAGLBSA-N 198.241 1.692 10 10 ADCE CCOC(=O)CSCCN=[N+]=[N-] 42416444 CTBTURKSTNEFMH-UHFFFAOYSA-N 189.240 1.593 10 10 ADCE CN(C)c1ccc(N)c(OCCF)c1 87774157 FQKVFEMEBUTDRF-UHFFFAOYSA-N 198.241 1.683 10 10 ADCE CN(C)c1ccc(CNN)c(Cl)c1 96663678 DLYIWBBHEBVLRV-UHFFFAOYSA-N 199.685 1.369 10 10 ADCE COc1ccc(/C(=C/O)C(=O)O)cc1 104402857 FBHBFQXQOJCYRX-TWGQIWQCSA-N 194.186 1.679 10 10 ADCE CC(=O)C(=O)CCc1ccc(O)cc1 113142731 RMQRJUUPQXGURU-UHFFFAOYSA-N 192.214 1.483 10 10 ADCE C[C@H](CO)N(C)Cc1ccc(N)cc1 123981149 XOBWXUKXDGGVOF-SECBINFHSA-N 194.278 1.081 10 10 ADCE COc1cc2c(cc1OC)N(C)CC2 196264049 GOBDIPVPSBLCEO-UHFFFAOYSA-N 193.246 1.696 10 10 ADCE [N-]=[N+]=N[C@@H](O)c1ccccc1 201685714 RXWGKZMNACHQDD-ZETCQYMHSA-N 149.153 1.988 10 10 ADCE CNCc1cc(C)cc(OC)c1O 212029250 AHMVKLRRPYYTPR-UHFFFAOYSA-N 181.235 1.429 10 10 ADCE Cc1ccc(F)c([C@@H](N)CF)c1O 238491855 QIWKWOJRAKISNQ-ZETCQYMHSA-N 187.189 1.809 10 10 ADCE OC/C(=C\F)c1ccc(O)c(O)c1 383822202 KODQEZRMYBKLBT-QPJJXVBHSA-N 184.166 1.401 10 10 ADCE [N-]=[N+]=NCCCn1cc(F)ccc1=O 395754805 HWQYZKRSZUETEN-UHFFFAOYSA-N 196.185 1.688 10 10 ADCE Cn1ccc(-c2cccnc2)cc1=O 821185961 UFFPHNRBDZEGAW-UHFFFAOYSA-N 186.214 1.447 10 10 ADCE CC(C)(N)Cc1ccc(O)c(O)c1O 1535836342 SBNYYZSLBOEPGM-UHFFFAOYSA-N 197.234 1.083 10 10 ADCE C[C@H](ON)c1ccc(O)c(O)c1 1535859883 CFIJDYBXQNDLNQ-YFKPBYRVSA-N 169.180 1.049 10 10 ADCE [N-]=[N+]=NCC[S@@](=O)C1CC1 1880016449 QSPLXBHCQPJZEY-SNVBAGLBSA-N 159.214 1.208 10 10 ADCE c1ccc2c(c1)NCC1(CN2)COC1 1887268113 CZKPQPDZILSRNK-UHFFFAOYSA-N 190.246 1.541 10 10 ADCE Nc1cccc(F)c1N[C@H]1CC[C@H]1N 1888904825 GFRRIIBRFBCLRB-APPZFPTMSA-N 195.241 1.310 10 10 ADCE CO[C@@H]1C[C@H]2C[C@H]1CN2CCN=[N+]=[N-] 1889428205 OPTXALCZUSLDAT-DJLDLDEBSA-N 196.254 1.406 10 10 ADCE CC(C)[C@@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1912164641 CJAWFUCWKMSROM-IUCAKERBSA-N 198.270 1.388 10 10 ADCE CCC[C@@H](O)COc1ccc(N)cc1 1933636007 WUYDASVIEICCEK-SNVBAGLBSA-N 195.262 1.809 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])CC1(F)F 1954355068 LLNYRXANHMPFGD-LURJTMIESA-N 190.197 1.884 10 10 ADCE C[C@@H]1CN(CCCCN=[N+]=[N-])C[C@H]1N 1957249004 HIXQJPUVKJPOPJ-RKDXNWHRSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@H]2CNC[C@H]2O1 2242180184 ALBNQYBYZDTJGU-BIIVOSGPSA-N 182.227 1.064 10 10 ADCE C[C@@H](c1ccc(O)c(O)c1)N(C)O 82875618 NGSDMVAXXVMKIY-LURJTMIESA-N 183.207 1.480 10 10 ADCE CC[C@@H](C)NC(=O)CN=[N+]=[N-] 104701345 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198.270 1.532 10 10 ADCE C[C@@H]([C@@H](C)C(=O)O)N1CC(N=[N+]=[N-])C1 1912195094 XLVHWGUZYIGBLX-RITPCOANSA-N 198.226 1.090 10 10 ADCE C[C@@]1(Oc2ccc(N)cc2)CCOC1 1928479370 TVBZNYFUZKHSNF-LLVKDONJSA-N 193.246 1.827 10 10 ADCE [N-]=[N+]=NC[C@H]1CSC(=O)C1 1951373629 CQQMMHJZKPVXTG-BYPYZUCNSA-N 157.198 1.576 10 10 ADCE CNC(C)(C)c1cc(O)c(O)c(O)c1 1952379229 TTZZKLFXOAPJEQ-UHFFFAOYSA-N 197.234 1.258 10 10 ADCE CC[C@@](C)(N=[N+]=[N-])C(=O)O 100168101 AKDCVYOADCIFBC-RXMQYKEDSA-N 143.146 1.550 10 10 ADCE [N-]=[N+]=N[C@@H]1CCO1 138469676 HDIWGHXDBUDGGL-VKHMYHEASA-N 99.093 1.043 10 10 ADCE C/C(=C/c1ccc(O)c(O)c1)C(=O)O 147661665 DEOQAXQDXRMPMZ-XQRVVYSFSA-N 194.186 1.586 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC=C1C(=O)O 220866201 MIJAFCCHUHOHAY-LURJTMIESA-N 167.168 1.860 10 10 ADCE CC(=O)NCc1cc(C)cc(C)c1O 238100824 KKMFHNBRORVVCY-UHFFFAOYSA-N 193.246 1.645 10 10 ADCE Cc1cccc([C@H](N)C(F)F)c1O 238546025 HGGXPRPQXPOHLU-ZETCQYMHSA-N 187.189 1.966 10 10 ADCE COc1ccc(N(C)C)cc1CNO 258214215 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198.270 1.798 10 10 ADCE C/C=C(/CN=[N+]=[N-])C(=O)OC 90366809 SIUUXJDABDJDEN-HYXAFXHYSA-N 155.157 1.416 10 10 ADCE CN[C@H](C)c1cc(F)cc(F)c1O 104526057 LCQDXAXPRAWXBE-RXMQYKEDSA-N 187.189 1.951 10 10 ADCE Cc1cc(O)c(O)c(F)c1 145584151 BRELEIYKVCYZRM-UHFFFAOYSA-N 142.129 1.545 10 10 ADCE [N-]=[N+]=NCCc1cnc[nH]1 199288203 OUTCSDKPASUGKE-UHFFFAOYSA-N 137.146 1.263 10 10 ADCE [N-]=[N+]=N[C@H]1C=CCCC[C@@H]1O 210724412 BULKLTJRSMWMDW-BQBZGAKWSA-N 153.185 1.766 10 10 ADCE CC(C)(C)NC(=O)OCCN=[N+]=[N-] 238097185 XSUUEWBRSRRCFB-UHFFFAOYSA-N 186.215 1.821 10 10 ADCE CC(C)CCNC(=O)CCN=[N+]=[N-] 238156177 GHYRVFXZMVBBBO-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE [N-]=[N+]=NCCOP1(=O)OCCO1 238604159 CCFZDLBDMNYZNL-UHFFFAOYSA-N 193.099 1.468 10 10 ADCE CN1C(=O)NC[C@@H]1c1ccccc1O 257828906 IMDBSPPMJRHFNG-MRVPVSSYSA-N 192.218 1.088 10 10 ADCE Nc1ccc2c(O)csc2c1CO 307220939 XMOLMLSAYSYBLX-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE CC(C)[C@@H]1O[C@H](O)[C@@H](N=[N+]=[N-])[C@H]1C 307268731 LCQUADZVTAZSNO-KVPKETBZSA-N 185.227 1.675 10 10 ADCE N=C(O)c1cccc(N=NC(N)=O)c1 333920276 FYMCICGEGWOUKR-UHFFFAOYSA-N 192.178 1.732 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1cnsc1 687176139 DJAVTNQJKLAQHQ-UHFFFAOYSA-N 197.223 1.183 10 10 ADCE C/C=C\[C@@H](O)Cc1ccc(N)cc1 704711805 XZEACQMBTASGTK-OTDNITJGSA-N 177.247 1.748 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](F)[C@H](F)C1 714516672 CMDZNUIIJBRJJE-OLQVQODUSA-N 176.170 1.289 10 10 ADCE Cc1cc([C@H](CO)N=[N+]=[N-])n(C)n1 1535771839 YWBQFMCNGDTSTM-LURJTMIESA-N 181.199 1.072 10 10 ADCE NNCc1c(O)cccc1Cl 1536169448 HLGJUWPANQNVFC-UHFFFAOYSA-N 172.615 1.009 10 10 ADCE C[S@@]1(=O)=NCc2c(O)cccc21 1857785478 RFJPAXPVFQMDNO-LBPRGKRZSA-N 183.232 1.363 10 10 ADCE CC[C@@](C)(O)CN1CC(N=[N+]=[N-])C1 1912172656 VQUMBRDHSXDGDL-MRVPVSSYSA-N 184.243 1.142 10 10 ADCE CC1(C)CC(=O)C(=O)C(C)(C)O1 1930371712 MHILEUGLZBPQPO-UHFFFAOYSA-N 170.208 1.102 10 10 ADCE [N-]=[N+]=NCCN1OC2CCC1CC2 1954828844 UDOKGDOZLRIPOD-UHFFFAOYSA-N 182.227 1.855 10 10 ADCE C[C@@H]1[C@H](C(=O)NCCCN=[N+]=[N-])[C@@H]1C 1955679042 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ADCE CC(C)n1cnc(CN=[N+]=[N-])n1 1891558350 APEBTFYUCHBLME-UHFFFAOYSA-N 166.188 1.669 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCNCC1 1912176010 SZNCILGCXIHLLG-SSDOTTSWSA-N 154.217 1.686 10 10 ADCE CC[C@@H](C)N[C@H](CN=[N+]=[N-])C(=O)O 85622295 WVFHLPHOKNYLCT-PHDIDXHHSA-N 186.215 1.138 10 10 ADCE CCN(CCF)c1ccc(CN)cc1 87774461 BQYCYMSJEUTQKB-UHFFFAOYSA-N 196.269 1.941 10 10 ADCE CCC[C@H](N)[C@@H](N)c1ccccc1O 95841675 ZQRTTZLMCAEIAA-ONGXEEELSA-N 194.278 1.519 10 10 ADCE CN(C)/N=N/c1ccsc1C(N)=O 117295599 JEKTZIPLXIBRFH-MDZDMXLPSA-N 198.251 1.407 10 10 ADCE Cc1cc(N)nc(CCN=[N+]=[N-])c1 139096121 VCIHHQMRJAXQCU-UHFFFAOYSA-N 177.211 1.825 10 10 ADCE CCOc1ccc(O)c(CNC)c1 163911551 COWWTIORPSIJLX-UHFFFAOYSA-N 181.235 1.510 10 10 ADCE COc1c(O)c(O)cc(Cl)c1F 213655223 SBWNKHOPUXIMMO-UHFFFAOYSA-N 192.573 1.899 10 10 ADCE COc1ccc(O)c([C@@H](C)N)c1OC 214019528 NONQCHSFUZLKHL-ZCFIWIBFSA-N 197.234 1.429 10 10 ADCE CC(C)CC(=O)C(=O)c1cccnc1 219323741 GNFZPSKLWYMSIE-UHFFFAOYSA-N 191.230 1.880 10 10 ADCE CC1(C)[C@@H]2CC[C@@]1(F)C(=O)C2=O 238217193 DTEAKRKFSHNGNG-MLUIRONXSA-N 170.183 1.283 10 10 ADCE C[C@@]12CC=CC[C@H]1C(=O)C(=O)CC2 238502126 RARFSVBUSMPZGO-KWQFWETISA-N 178.231 1.891 10 10 ADCE CC(C)NC(=O)N=NN(C)C 256631313 ZHRAOTOHJJBIPW-UHFFFAOYSA-N 158.205 1.033 10 10 ADCE C[C@@H](CN)c1c(F)ccc(O)c1O 258163141 VGWLIKJQBQBSCM-YFKPBYRVSA-N 185.198 1.299 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@@H](N)C1 306802870 UPXKFAFGDHNRQQ-PHDIDXHHSA-N 140.190 1.424 10 10 ADCE C[C@H](C=[N+]=[N-])c1ccco1 307039038 GWZCCTUAQWHATR-ZCFIWIBFSA-N 136.154 1.684 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2C[C@@H]2C1 699249294 YWKPYZSTXURDET-HTQZYQBOSA-N 166.228 1.639 10 10 ADCE [N-]=[N+]=NCCc1cc2ncccn2n1 1535703118 QLBKRWYAWNRMFN-UHFFFAOYSA-N 188.194 1.582 10 10 ADCE [N-]=[N+]=NCCC(F)F 1536215500 DIQALFVZQXLQPC-UHFFFAOYSA-N 121.090 1.952 10 10 ADCE CCC1(CC)CC(O)(C(=O)C(C)=O)C1 1885254055 DPZBYGXZOZOKRI-UHFFFAOYSA-N 198.262 1.476 10 10 ADCE Nc1ccc(N[C@H]2CC[C@@H](N)C2)cc1 1888922352 CQIUSCUKIATGHO-KOLCDFICSA-N 191.278 1.561 10 10 ADCE Cc1c[nH]c(=N)cc1CN=[N+]=[N-] 1893653713 GKTFIIMQRHIHOD-UHFFFAOYSA-N 163.184 1.613 10 10 ADCE CC1(C)C[C@H]1CC(=O)NCCN=[N+]=[N-] 1912169271 IYHQARQEXSCSHC-SSDOTTSWSA-N 196.254 1.849 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1F 1912169575 MLXKQUIIUPGXJZ-BQBZGAKWSA-N 172.207 1.587 10 10 ADCE CC[C@@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1912172143 RLFZKPKMIKXPDY-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE Nc1ccc(CO[C@@H]2CC[C@@H]2O)cc1 1924897166 RWRJEJAFUCUAJT-WDEREUQCSA-N 193.246 1.309 10 10 ADCE COc1nccnc1CN=[N+]=[N-] 1951383260 BEQVOIKNEZALCA-UHFFFAOYSA-N 165.156 1.296 10 10 ADCE CC1CC(CO)(N(C)CCN=[N+]=[N-])C1 1956213431 OMJMULWVYVAHBD-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE CC(C)c1sc(O)c(O)c1N 2080399209 SBHMFGZEIOXNJI-UHFFFAOYSA-N 173.237 1.865 10 10 ADCE CCCC[S@](=O)CCN=[N+]=[N-] 42416694 OUNYORRKEOZDFU-LLVKDONJSA-N 175.257 1.846 10 10 ADCE Oc1ccc([C@@H]2CCCN2)cc1O 72201506 JVTOPHFPJFJJHB-QMMMGPOBSA-N 179.219 1.522 10 10 ADCE C/C=C/c1cc(O)cc(O)c1O 75547048 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2242534923 LMHWLZVEFHVNEC-NSHDSACASA-N 193.246 1.827 10 10 ADCE CC1=NCCCN1c1ccc(N)cc1 11847811 URSDTMCASILUEH-UHFFFAOYSA-N 189.262 1.897 10 10 ADCE N[C@H]1CCc2c(Cl)ccc(O)c21 27656665 NASWFPRMJNSUSS-ZETCQYMHSA-N 183.638 1.992 10 10 ADCE [N-]=[N+]=NC[C@H]1OCO[C@@H]1CN=[N+]=[N-] 36459147 LHTZGIZZJTZRLX-RFZPGFLSSA-N 184.159 1.349 10 10 ADCE C[C@H](N)c1ccc(F)c(N)c1O 95707027 GIPRIMAKDWVUHC-BYPYZUCNSA-N 170.187 1.133 10 10 ADCE CNCCc1ccc(C)c(O)c1O 212929879 BPQSGDXZFSHVGR-UHFFFAOYSA-N 181.235 1.168 10 10 ADCE NC(=O)/N=N/c1ccccc1O 238575471 ZRRHHIIVRAVLNJ-MDZDMXLPSA-N 165.152 1.555 10 10 ADCE [N-]=[N+]=NCC[C@H]1C=CCO1 238590993 AEBQRWXNUZMTNX-ZCFIWIBFSA-N 139.158 1.642 10 10 ADCE COc1cc(CNO)c(O)c(C)c1C 258047876 KLEJLNJQFKFKQH-UHFFFAOYSA-N 197.234 1.496 10 10 ADCE CNC1CN(c2ccc(OC)cc2)C1 259076363 CGNRUBBTXDWBMX-UHFFFAOYSA-N 192.262 1.103 10 10 ADCE C/C=C(\N=[N+]=[N-])N(C)C 383701325 LTDCNORHIGZBDJ-SNAWJCMRSA-N 126.163 1.720 10 10 ADCE Nc1ccc(CC[C@H](O)C2CC2)cc1 695934511 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C[C@]1(C(F)F)CO[C@@H](CN=[N+]=[N-])N1 1954537355 AJZIMXRGMRPFLP-UJURSFKZSA-N 192.169 1.266 10 10 ADCE CC[C@@](C)(CN)N(C)CCCN=[N+]=[N-] 1957249015 HNILQKQUSFNBBM-VIFPVBQESA-N 199.302 1.746 10 10 ADCE Cc1sc(C=O)c(C)c1O 2208923499 YJRYGJWZTKBZIS-UHFFFAOYSA-N 156.206 1.883 10 10 ADCE C[C@H](CO)CSCCN=[N+]=[N-] 85139766 STSXSMZFUMAOAM-ZCFIWIBFSA-N 175.257 1.658 10 10 ADCE CC(C)CCNC(=O)[C@H](C)N=[N+]=[N-] 104701792 KWUGQIVVZJTUQJ-ZETCQYMHSA-N 184.243 1.848 10 10 ADCE CCOCC(=O)Cc1ccc(N)cc1 167841375 IAWCQSSJKWBHKY-UHFFFAOYSA-N 193.246 1.417 10 10 ADCE CC(=O)[C@@H](C)CN=[N+]=[N-] 225790188 AIXDPTGQFMPZEA-BYPYZUCNSA-N 127.147 1.522 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@@H]2OC(=O)C[C@@H]21 238649103 GDTPOQHXUXZNQC-QYNIQEEDSA-N 181.195 1.781 10 10 ADCE [N-]=[N+]=N[S@](=O)C1CCCC1 306667803 VVBONWLDTXQOKW-SNVBAGLBSA-N 159.214 1.903 10 10 ADCE CON[C@H]1CCc2cccc(O)c21 307204521 GNDNMZBUUZVCQC-QMMMGPOBSA-N 179.219 1.531 10 10 ADCE CO[C@H](C)CN(C)CCCN=[N+]=[N-] 308205229 HJQFPBNNCAGCIO-MRVPVSSYSA-N 186.259 1.654 10 10 ADCE Cc1ncc([C@H](CO)N=[N+]=[N-])s1 1535703353 WRHVUIVSSZKSIE-YFKPBYRVSA-N 184.224 1.795 10 10 ADCE OCC1(Cc2ccc(O)c(O)c2)CC1 1535868782 OYDQIXGGRBXUHX-UHFFFAOYSA-N 194.230 1.413 10 10 ADCE [N-]=[N+]=NCCN1CC[C@]12C[C@@H](CO)C2 1885766298 BOMRTTIHELMASF-KYZUINATSA-N 196.254 1.144 10 10 ADCE CN(O)Cc1c(O)cccc1F 1951352364 WGOZXPIYIJEUJF-UHFFFAOYSA-N 171.171 1.352 10 10 ADCE Oc1cc(C2CC(O)C2)cc(O)c1O 1952066766 VMDSPJYLXKSMID-UHFFFAOYSA-N 196.202 1.042 10 10 ADCE Cc1nc(O)nc2ccc(O)c(O)c12 29215538 PMTJCWCPGDTZDE-UHFFFAOYSA-N 192.174 1.055 10 10 ADCE CC[C@H](O)[C@@H](CC)N=[N+]=[N-] 34329653 CCAUIANJPKGVIL-RITPCOANSA-N 143.190 1.846 10 10 ADCE Cc1ccc(C(=O)NCCN=[N+]=[N-])o1 42012596 FVCUCHQFOUOICL-UHFFFAOYSA-N 194.194 1.628 10 10 ADCE CCCc1ccc(O)c([C@@H](N)CN)c1 72200426 XBALCEXDYBAESA-JTQLQIEISA-N 194.278 1.303 10 10 ADCE NCc1cc(-n2ccnc2)ccc1O 82636225 LEBMJKCVZJFCIZ-UHFFFAOYSA-N 189.218 1.037 10 10 ADCE CC[C@@H](NC)c1ccc(O)c(O)c1 84336169 INHHLKSSTYPSAW-MRVPVSSYSA-N 181.235 1.768 10 10 ADCE C[C@H]1CCN1c1ccc(CN)cc1 86681733 OGSLUKNXPACDQI-VIFPVBQESA-N 176.263 1.744 10 10 ADCE N[C@@H](c1ccc(O)cc1O)C1CCC1 95658961 PHUGLTXDUVHYET-LLVKDONJSA-N 193.246 1.898 10 10 ADCE CC(C)N(C)C(=O)CN=[N+]=[N-] 104701260 RCZVUJPBMGOHNX-UHFFFAOYSA-N 156.189 1.164 10 10 ADCE C[C@H](c1ccc(O)c(O)c1)C(C)(C)N 107430208 WTJVCECUVYXODI-SSDOTTSWSA-N 195.262 1.939 10 10 ADCE CC(C)C1[C@H]2CC[C@H]1C(=O)C2=O 238114370 DPQIDUMMQUEVJX-RNFRBKRXSA-N 166.220 1.437 10 10 ADCE C[C@@H]1C[C@@H](N)CC[C@@H]1N=[N+]=[N-] 238428420 SXAROBOMAKRPPS-VQVTYTSYSA-N 154.217 1.813 10 10 ADCE CC[C@H](NO)c1cccc(OC)c1O 308370757 YKPCFVAUJDBLTR-QMMMGPOBSA-N 197.234 1.831 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCC[C@@H]21 706804679 ZTQRITOHYLEUBV-SFYZADRCSA-N 166.228 1.781 10 10 ADCE COCc1nccn1CCN=[N+]=[N-] 1882405792 OBTIYSLNBXKEPY-UHFFFAOYSA-N 181.199 1.340 10 10 ADCE CO[C@@H]1C[C@H]1CNc1ccc(N)cc1 1887339937 QVBUQDRPGQMYNC-GZMMTYOYSA-N 192.262 1.716 10 10 ADCE C[C@@H](O)[C@H]1CCCN1CCCN=[N+]=[N-] 1890519692 KTWCOUSHKXBTIJ-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE C[C@H]1[C@H](O)CCN1CCCN=[N+]=[N-] 1912153859 DWXCHJOBXNEEDB-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE Cc1ccc(O)c([C@@]2(N)C[C@H]2C)c1 1951735207 ULKBEQOVOUAWSV-LDYMZIIASA-N 177.247 1.894 10 10 ADCE CC(=O)C(=O)[C@@H]1CCCS1 1952531832 FUFOWPXFEBKDRV-LURJTMIESA-N 158.222 1.040 10 10 ADCE [N-]=[N+]=N[C@H](CN)c1cccnc1 1953712368 DTPGVOZTBIIXAA-SSDOTTSWSA-N 163.184 1.392 10 10 ADCE [N-]=[N+]=NC[C@H]1CNCC2(CCC2)O1 1954859182 OFGABKSSCOVWOM-SSDOTTSWSA-N 182.227 1.208 10 10 ADCE COc1ccc(N2CC(C)C2)c(N)c1 86687508 UHQXCDGJLIWBNG-UHFFFAOYSA-N 192.262 1.734 10 10 ADCE [N-]=[N+]=NC[C@H](CCO)N=[N+]=[N-] 136938185 RXKVPESTYPKTJH-BYPYZUCNSA-N 156.149 1.358 10 10 ADCE CNCc1cc(C)c(O)c(F)c1O 214402625 VRTNJBSQTQNJKI-UHFFFAOYSA-N 185.198 1.265 10 10 ADCE Nc1ccc(N2CC3(CCO3)C2)cc1 220968947 YODUCUMGCYDKCM-UHFFFAOYSA-N 190.246 1.248 10 10 ADCE Cc1cc([C@H](N)CO)ccc1N(C)C 238314978 XLIIUTPOTZMKPK-SNVBAGLBSA-N 194.278 1.053 10 10 ADCE [N-]=[N+]=N[C@H](C(=O)O)[C@@H]1CCSC1 238640007 LBJNYSPVPVTZEQ-UHNVWZDZSA-N 187.224 1.503 10 10 ADCE Cc1cc(CCN)c(O)c(O)c1C 257963320 HGJWZPISQJIJFS-UHFFFAOYSA-N 181.235 1.216 10 10 ADCE COc1cc(F)cc(O)c1C(C)(C)N 258092127 JUFROZYVILVNFO-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE C[C@@H]1CN[C@@H](c2ccccc2O)OC1 258487475 LMRGNJROSCTDMR-LDYMZIIASA-N 193.246 1.647 10 10 ADCE COC(C)(C)[C@@H](O)CN=[N+]=[N-] 300755835 JRKMCZQSIVMVNC-YFKPBYRVSA-N 159.189 1.083 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C(=O)C1 307469207 STYFKYANTUCLHJ-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE Oc1ccc(F)cc1CNN1CCC1 686779523 FZXBBMVMCDXUGK-UHFFFAOYSA-N 196.225 1.242 10 10 ADCE Nc1ccc(NCCN2CCC2)cc1 697365717 YPSZJPYNWMKHMN-UHFFFAOYSA-N 191.278 1.386 10 10 ADCE C[C@@H](O)C1(c2ccc(O)c(O)c2)CC1 1535866963 DFCYAGVTTIDECE-SSDOTTSWSA-N 194.230 1.510 10 10 ADCE [N-]=[N+]=NCc1ccc[nH]1 1535883012 IXHGFGVJAGZHPO-UHFFFAOYSA-N 122.131 1.825 10 10 ADCE COCCN1CCC[C@@H]1CN=[N+]=[N-] 1882187578 WEFLXQFKSZTPDA-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H]2[C@@H]1C[C@H]2O 1885077555 WRSACTFDXXAVPM-XHNCKOQMSA-N 196.254 1.142 10 10 ADCE Nc1ccc(N2N[C@H]3CC[C@H]2C3)cc1 1888922415 DVLBZCAWKGZYLU-ONGXEEELSA-N 189.262 1.515 10 10 ADCE CC[C@@]1(O)CCN(CCCN=[N+]=[N-])C1 1912168575 DZCNEYSPPAZEIT-SECBINFHSA-N 198.270 1.534 10 10 ADCE CC(=O)C(=O)[C@](C)(O)c1cccs1 1929110041 GFAMBYFYTIFCOD-SECBINFHSA-N 198.243 1.114 10 10 ADCE CO[C@@H]1CCCN(CCN=[N+]=[N-])[C@@H]1C 1934292364 RCBQRLBCDLTOEI-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cccc(F)n1 1951450995 YVTOQELTRILGGP-ZCFIWIBFSA-N 182.158 1.564 10 10 ADCE CC(=O)C(=O)COc1ccccc1 1951485141 BZZGUZYPRNVXKC-UHFFFAOYSA-N 178.187 1.224 10 10 ADCE C[C@]1(C(F)F)CO[C@H](CN=[N+]=[N-])N1 1954537353 AJZIMXRGMRPFLP-INEUFUBQSA-N 192.169 1.266 10 10 ADCE C[C@H](O)[C@H](O)c1ccc(N(C)C)cc1 1955943845 TZHQDRSLYGFHLW-KWQFWETISA-N 195.262 1.167 10 10 ADCE Nc1ccc(N2CCC23COC3)cc1 1956875281 CHRMVHKCUSZQBF-UHFFFAOYSA-N 190.246 1.248 10 10 ADCE CCCNCc1ccc(O)c(O)c1 19434282 LNEARRLBFQHFNA-UHFFFAOYSA-N 181.235 1.597 10 10 ADCE O=C(O)C(=S)C1CCCC1 38246783 AEKBPVPHPAVKIY-UHFFFAOYSA-N 158.222 1.631 10 10 ADCE C[C@H]1OCc2c(ccc(O)c2O)C1=O 40952225 XMPDGGPOGJOFIJ-RXMQYKEDSA-N 194.186 1.199 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H]1CO 42433544 DPSIXPOQODZNBC-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE C=CC(=O)NCc1ccc(N)cc1 78831618 AQMSXJACGRFPPR-UHFFFAOYSA-N 176.219 1.071 10 10 ADCE Oc1ccc([C@H](O)C(F)F)cc1O 87687752 JTIKNJRZJCCKNA-ZETCQYMHSA-N 190.145 1.396 10 10 ADCE O=C1C(=O)[C@H]2C=C[C@H]1CCC2 111458527 NWSZNFOIAPGEPV-RNFRBKRXSA-N 150.177 1.111 10 10 ADCE C[C@H](F)c1cccc(CN)c1O 212387517 UJIDHZKPGPDLTA-LURJTMIESA-N 169.199 1.881 10 10 ADCE CCC1(N=[N+]=[N-])CNC1 219435711 SXIRRAVKWWNRKI-UHFFFAOYSA-N 126.163 1.049 10 10 ADCE CCC[C@@H](N)Cc1ccc(N)cc1 238224840 NFQQKOJNJNWEDX-LLVKDONJSA-N 178.279 1.939 10 10 ADCE C[C@@H]1C[C@H](N)CC[C@@H]1N=[N+]=[N-] 238453337 SXAROBOMAKRPPS-QYNIQEEDSA-N 154.217 1.813 10 10 ADCE N=C(C=O)C(=O)c1cccs1 238554541 JEJSKUCGCJFYQX-UHFFFAOYSA-N 167.189 1.149 10 10 ADCE CONCc1cc2c(cc1O)CCC2 257951720 AYSNDUHHXHSJJG-UHFFFAOYSA-N 193.246 1.532 10 10 ADCE CN(C)c1ccc2c(c1)CCO2 259653027 DNYURQUSSGILEX-UHFFFAOYSA-N 163.220 1.688 10 10 ADCE C[C@@H]1C[C@@H](Nc2ccc(N)cc2)CO1 402094048 KMJJVLZWGDAQBR-LDYMZIIASA-N 192.262 1.858 10 10 ADCE [N-]=[N+]=NC=C1COC1 708307300 QGKXPWBQLJHMML-UHFFFAOYSA-N 111.104 1.211 10 10 ADCE CC(C)N1CCC(=O)[C@H]1CN=[N+]=[N-] 711949135 GCYPKQQFJAWQEO-SSDOTTSWSA-N 182.227 1.349 10 10 ADCE Oc1cccc([C@@H](O)CF)c1O 1535735614 PHBXFOLSCPQQPL-ZETCQYMHSA-N 172.155 1.101 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccoc1 1535877768 FJDQHDUBQFTJLK-ZCFIWIBFSA-N 153.141 1.623 10 10 ADCE C[C@H](F)CN1CC[C@@H](N=[N+]=[N-])C1 1880603148 SVYDAZWIDMHCLK-NKWVEPMBSA-N 172.207 1.729 10 10 ADCE C[C@H](O)[C@@H]1C[C@@H]1Nc1ccc(N)cc1 1885828531 WAGJGIAMJRAQNF-SWPVVBRQSA-N 192.262 1.450 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CC(C)(C)O1 1888013880 KYOOBRWHQCFCKQ-MRVPVSSYSA-N 198.270 1.796 10 10 ADCE N[C@H](c1ccccc1O)[C@H]1C[C@H]1CF 1888736149 RRPLEWXLVTXNQZ-OVYXKVPISA-N 195.237 1.998 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC(C)(C)C1(C)C 1904503744 OGVANTLPVKQFBG-LLVKDONJSA-N 198.262 1.332 10 10 ADCE COC1CC(CN2CC(N=[N+]=[N-])C2)C1 1912201660 XMAFDHWSTRVOLI-UHFFFAOYSA-N 196.254 1.406 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC2CCC1CC2 1929230166 FZODXXAQWMIGTC-NWGYLPEXSA-N 196.246 1.086 10 10 ADCE CC(=O)C(=O)[C@](O)(C1CCC1)C1CC1 1929234257 OPCPAMVEVVNIKC-NSHDSACASA-N 196.246 1.086 10 10 ADCE COC[C@](C)(N)c1cc(C)ccc1O 1951660715 PQORCPFMIGDDRS-NSHDSACASA-N 195.262 1.521 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CCO[C@H]2C1 1954058967 BMWIGESQYWKHCZ-SFYZADRCSA-N 182.227 1.017 10 10 ADCE CC[C@@H](N)[C@H](NC)c1ccccc1O 1956163791 GHMVKGYTFIUFDR-MWLCHTKSSA-N 194.278 1.390 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@@H](F)CC[C@H]1O 2241947583 GEZQZUYNNUMMTH-KVQBGUIXSA-N 159.164 1.548 10 10 ADCE CC1(CN=[N+]=[N-])CC(O)C1 2242218652 HCILFWZIPIWCRX-UHFFFAOYSA-N 141.174 1.458 10 10 ADCE CC(O)(CN=[N+]=[N-])CN=[N+]=[N-] 39116005 PGPRWILBUBAQFZ-UHFFFAOYSA-N 156.149 1.358 10 10 ADCE Cc1c[nH]c(Cc2ccc(N)cc2)n1 82530034 OBQGPLUVIAILSP-UHFFFAOYSA-N 187.246 1.891 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCCOC1 82545184 KLJCJWSJDJDGAX-SECBINFHSA-N 198.270 1.655 10 10 ADCE CNCc1cc2c(cc1O)COC2 108292281 HWXWIGBETGODJP-UHFFFAOYSA-N 179.219 1.142 10 10 ADCE OCc1sc(C(F)(F)F)cc1O 113475947 VCUABQZJOVBUCM-UHFFFAOYSA-N 198.165 1.965 10 10 ADCE CC(F)(F)c1cccc(CN)c1O 213281101 HGRADANPPLFKOP-UHFFFAOYSA-N 187.189 1.963 10 10 ADCE CCc1cc(CNC)c(O)cc1O 214267107 DZBTXJVBSUCFCX-UHFFFAOYSA-N 181.235 1.380 10 10 ADCE CC(C)[C@@H](N)c1ccc(O)c(F)c1O 238791760 SQNBKIPNHOSOCV-SECBINFHSA-N 199.225 1.893 10 10 ADCE Nc1ccc(CN2CC[C@@H]3C[C@H]32)cc1 707081396 HLDVIWPUIZVZIV-ZYHUDNBSSA-N 188.274 1.863 10 10 ADCE CC(C)N(C)CC[C@@H](CO)N=[N+]=[N-] 1535746199 GFBBJPMXGZBOGI-QMMMGPOBSA-N 186.259 1.388 10 10 ADCE [N-]=[N+]=N[C@H]1CC(F)(F)C[C@H]1O 1880348111 WUWVFLHTDFIWIX-IUYQGCFVSA-N 163.127 1.455 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@@H]2CCO[C@@H]12 1884078198 HVVJVBQUKIKTQK-RULNZFCNSA-N 183.211 1.083 10 10 ADCE CS(=O)(=O)[C@H]1CCC[C@H]1N=[N+]=[N-] 1887584219 IQNPUPHSNSUWBD-RITPCOANSA-N 189.240 1.262 10 10 ADCE CC1(C)CCNC[C@H]1CN=[N+]=[N-] 1912206700 UMMJTRHLISWXMD-ZETCQYMHSA-N 168.244 1.932 10 10 ADCE CN[C@@H](CF)c1cccc(O)c1O 1952568259 MSEXAWPEDSJBGQ-ZETCQYMHSA-N 185.198 1.328 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C=C[C@H]1C2 1953634570 QWHHDWSYEKQQRD-YUMQZZPRSA-N 164.212 1.557 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H](N)CC1 1957243124 CMSJCYQFTKPNPV-VIFPVBQESA-N 197.286 1.500 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@H]1CC(N)C2 1957249576 LORREXSCPWEOLJ-IUCAKERBSA-N 195.270 1.251 10 10 ADCE O=C1C[C@@H]2CCCC[C@@H]2C1=O 5566800 VYSBGFRPFIPZJT-BQBZGAKWSA-N 152.193 1.335 10 10 ADCE CN(C)c1ccc(CNO)cc1 40973662 OKLDGEPWBUECDG-UHFFFAOYSA-N 166.224 1.231 10 10 ADCE CCNCCSc1nccs1 42409053 FOJIFIKVVMGTCG-UHFFFAOYSA-N 188.321 1.845 10 10 ADCE CC[C@@H]1CO[C@@H](C)CN1CCN=[N+]=[N-] 42451730 PUZGDFNXQMUOJS-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CCC[C@@H](N)c1c(F)ccc(N)c1O 104511666 UNQSMMLSPFCJSQ-SSDOTTSWSA-N 198.241 1.913 10 10 ADCE Nc1ccc(O)c([C@H]2CCCN2)c1 104581931 GUIIDYATABWQLC-SECBINFHSA-N 178.235 1.399 10 10 ADCE OC[C@@H]1CN[C@@H](c2ccccc2O)C1 108340981 XPRYCOXMIKTTOG-WCBMZHEXSA-N 193.246 1.035 10 10 ADCE NCc1ccc(N2CCC2)cc1 139979142 XRCPFMHPZSTIDK-UHFFFAOYSA-N 162.236 1.355 10 10 ADCE CC(=O)O[C@H]1CC[C@@H](N=[N+]=[N-])C1 166349706 ZLTLCRCPUIHEFW-RQJHMYQMSA-N 169.184 1.781 10 10 ADCE ONCc1cc(Cl)c(F)cc1O 214665765 YHQRARBFELPHOF-UHFFFAOYSA-N 191.589 1.664 10 10 ADCE CCOC(=O)c1cc(C)cc(O)c1O 238254550 NIIMMVKVRWYNLK-UHFFFAOYSA-N 196.202 1.583 10 10 ADCE CCO[C@H](CN=[N+]=[N-])OC 238289739 DONCATPNYNXPJU-RXMQYKEDSA-N 145.162 1.306 10 10 ADCE CN[C@H](C)c1cc(F)cc(OC)c1O 238331567 AMYMNAUXQCDKRA-ZCFIWIBFSA-N 199.225 1.820 10 10 ADCE C[C@@H]1OC(C)(N=[N+]=[N-])O[C@H]1C 238408055 SLHAONOUTVNUKB-WHFBIAKZSA-N 157.173 1.794 10 10 ADCE CC(=O)C(=O)[C@H](C)c1ccccc1 238412002 FRKWJCQTKDGQES-MRVPVSSYSA-N 176.215 1.948 10 10 ADCE O=C1CCC[C@@H]1c1cc(O)nc(O)c1 238721731 JQXMRMWVGOEBQH-SSDOTTSWSA-N 193.202 1.329 10 10 ADCE N[C@H](CF)c1c(O)cccc1F 306863624 KHORYZFDIOLKET-ZCFIWIBFSA-N 173.162 1.501 10 10 ADCE COC(=O)/C=C(C)/C=C\CN=[N+]=[N-] 308078415 OLOBFIRAIRKJLV-WWVFNRLHSA-N 181.195 1.972 10 10 ADCE CCCNC(=O)Oc1ccc(N)cc1 327882459 LZYSUKONIUMASD-UHFFFAOYSA-N 194.234 1.767 10 10 ADCE C/C=C/CNCc1ccc(O)cc1O 384763998 AYGRNUFYMUNUEF-NSCUHMNNSA-N 193.246 1.764 10 10 ADCE N[C@@H](CCF)c1ccc(O)cc1O 575440439 VIYIQDNSLUBOAZ-QMMMGPOBSA-N 185.198 1.457 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CCC[C@H]21 706804676 ZTQRITOHYLEUBV-JGVFFNPUSA-N 166.228 1.781 10 10 ADCE CCC[C@@](N)(CO)c1ccccc1O 714093740 ZPRDMDAZZICDRM-LLVKDONJSA-N 195.262 1.339 10 10 ADCE CC(C)[C@H]1CN[C@@H](CN=[N+]=[N-])O1 885319039 JJCDQZHCHPROLB-RNFRBKRXSA-N 170.216 1.267 10 10 ADCE CC1(C)C[C@H](CO)CN1CCN=[N+]=[N-] 1886248888 MNMLSHXNWLVQQQ-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE CCC1(F)CN(CCN=[N+]=[N-])C1 1912188663 QBMXTUDLNPRXET-UHFFFAOYSA-N 172.207 1.731 10 10 ADCE Nc1ccc(NC(=O)CCF)cc1 1931398176 RDLKNRZRFQBLLS-UHFFFAOYSA-N 182.198 1.567 10 10 ADCE CN[C@H](CF)c1ccc(O)cc1O 1952559419 JZVMIENGXBCOPA-MRVPVSSYSA-N 185.198 1.328 10 10 ADCE Oc1cccc([C@H]2NCC[C@H]2F)c1O 1952823551 MBYOAPNZSZAJPH-VXNVDRBHSA-N 197.209 1.470 10 10 ADCE CCC1(C(=O)C(C)=O)CCC1 1952891639 FKTXLELPNCBRJF-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE CCOC(=O)NCC1(CN=[N+]=[N-])CC1 1957232743 JJVINJOSJDDCNG-UHFFFAOYSA-N 198.226 1.823 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCC[C@H]1CN 1957245305 WRZLDMUMDMWJIF-IUCAKERBSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NCCCCN1CCC(N)CC1 1957247471 RBNGKVZPJDLABZ-UHFFFAOYSA-N 197.286 1.500 10 10 ADCE COc1cccc2c1CCC(=O)C2=O 2241515895 SXJRJDKOUQQLLP-UHFFFAOYSA-N 190.198 1.393 10 10 ADCE CC(=O)N(C)c1ccc(O)c(O)c1 34120167 KZFYZTDRCOYLEU-UHFFFAOYSA-N 181.191 1.081 10 10 ADCE Cc1c2c(CCN)nccc2cn1C 76633650 ZLMQFOQZPMLIOF-UHFFFAOYSA-N 189.262 1.383 10 10 ADCE CC(C)[C@](C)(N=[N+]=[N-])C(=O)O 100223416 KNMOCBWWNRKMAH-LURJTMIESA-N 157.173 1.796 10 10 ADCE CC[C@H](N)c1cccc([N+](=O)[O-])c1O 104397139 JRYNDWXXIPRDHU-ZETCQYMHSA-N 196.206 1.710 10 10 ADCE CNCc1ccc(C)c(C)c1O 107329020 FBSDMKZTYZTTIR-UHFFFAOYSA-N 165.236 1.728 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H](O)C1 125584416 KRIUAUUUXDACLZ-UHNVWZDZSA-N 127.147 1.210 10 10 ADCE CC(=O)C(=O)CC(C)(C)C 142062610 AMPOMCUJFOMXKO-UHFFFAOYSA-N 142.198 1.581 10 10 ADCE CCN(C)Cc1cc(F)ccc1O 226562124 BWJIFOGOJFLDKB-UHFFFAOYSA-N 183.226 1.983 10 10 ADCE CC(C)(C)[C@H](N)CN=[N+]=[N-] 238170836 XCDIBJOMRXZPMO-RXMQYKEDSA-N 142.206 1.670 10 10 ADCE COC(OC)[C@H]1OCC[C@H]1N=[N+]=[N-] 238352276 KYEVXMXACWJYIA-RITPCOANSA-N 187.199 1.073 10 10 ADCE CC(C)[C@@]1(CN=[N+]=[N-])CCNC1=O 521401464 YRDZLUMGQLBZMG-QMMMGPOBSA-N 182.227 1.459 10 10 ADCE COC[C@@H]1CC[C@@H](N=[N+]=[N-])C[C@@H]1O 1882579518 QUKOYZAVDQSFFR-RNJXMRFFSA-N 185.227 1.473 10 10 ADCE CC(=O)C(=O)[C@H](O)CCC[C@@H]1C[C@H]1C 1890516105 HKKTTYPYVWPFEW-SZEHBUNVSA-N 198.262 1.332 10 10 ADCE CC[C@@H](O)CN1CCC(N=[N+]=[N-])CC1 1912167541 LWLDJQLZKPNRJS-SECBINFHSA-N 198.270 1.532 10 10 ADCE C[C@H](C(=O)O)N1CCC[C@H](N=[N+]=[N-])C1 1912172045 QSKOFXVADYETGR-RQJHMYQMSA-N 198.226 1.234 10 10 ADCE C[S@](=O)N1CCC(N=[N+]=[N-])CC1 1912176988 BASDRGOUMNVMSA-LBPRGKRZSA-N 188.256 1.055 10 10 ADCE C[C@H](O)CCN1CCC[C@H](N=[N+]=[N-])C1 1912208126 RFTPCMUGQXTCNQ-IUCAKERBSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC(F)(F)[C@H]1O 1912209233 ZMNOQZHYTZERIT-UHNVWZDZSA-N 177.154 1.845 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)CCC(C)C 1929109637 AIUFIOLRKLATBY-JTQLQIEISA-N 186.251 1.332 10 10 ADCE CN1CCc2cc([C@H](N)CF)ccc21 1952315572 QUIYDGIPQGXXAL-SNVBAGLBSA-N 194.253 1.648 10 10 ADCE C[C@H]1CCNC[C@@H]1N(C)CCN=[N+]=[N-] 1957243035 CFDUGXSTPRPEKG-IUCAKERBSA-N 197.286 1.227 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])CCCN1 2209440209 DJXLXDYLOQCRBJ-SECBINFHSA-N 197.286 1.371 10 10 ADCE CN(C(=O)N1CC(N=[N+]=[N-])C1)C1CC1 2241379083 CHDQWBAPYLMBRF-UHFFFAOYSA-N 195.226 1.195 10 10 ADCE C=C(N=[N+]=[N-])C1=N[C@@H]1C 34184583 WCMCJONCBJZCDL-GSVOUGTGSA-N 122.131 1.654 10 10 ADCE CCC[C@H](N)c1ccc(O)c(O)c1 59957680 LWJTWAZKBUCNGN-QMMMGPOBSA-N 181.235 1.898 10 10 ADCE CCC[C@H](N)c1cc(N)ccc1O 104581251 ROZLVVBTOQBUDD-VIFPVBQESA-N 180.251 1.774 10 10 ADCE CNC[C@@H](O)c1sc(C)cc1O 106091162 QQQJVHFEMGFSIE-SSDOTTSWSA-N 187.264 1.015 10 10 ADCE NCCCNc1ccc(N)cc1 144243862 BBTXLQCRYVJFBM-UHFFFAOYSA-N 165.240 1.030 10 10 ADCE COC[C@](C)(N=[N+]=[N-])OC 217882190 UDJFNBWLPJFOCN-RXMQYKEDSA-N 145.162 1.306 10 10 ADCE CC(=O)O[C@H]1CSC[C@H]1N=[N+]=[N-] 238099120 LJVSBWAFAMPUNI-RITPCOANSA-N 187.224 1.344 10 10 ADCE C[C@@H]1CN(Cc2ccccc2O)CO1 238434528 FCLGASWZFFKXSR-SECBINFHSA-N 193.246 1.570 10 10 ADCE C[C@@H]1C[C@H](C(=O)N(C)C)C[C@@H]1N=[N+]=[N-] 238446452 JLZLTGCMCKYQGH-CSMHCCOUSA-N 196.254 1.800 10 10 ADCE Cc1c(F)ccc([C@@](C)(N)CO)c1O 238536466 FWJIZPJBIIQSEZ-JTQLQIEISA-N 199.225 1.006 10 10 ADCE [N-]=[N+]=N[C@H]1OCCC[C@H]1CO 238713517 TULIJDHLDAAROD-WDSKDSINSA-N 157.173 1.042 10 10 ADCE CC/C=C(/N=[N+]=[N-])C(=O)OC 307559729 WOPQJERNRFXRLU-SNAWJCMRSA-N 155.157 1.764 10 10 ADCE C[C@@H]1C[C@@H](C)N(CCCN=[N+]=[N-])C1=O 399575410 BASSYHKRBRCVAD-HTQZYQBOSA-N 196.254 1.944 10 10 ADCE Cc1cc(CCN=[N+]=[N-])n(C)n1 1536205656 DIMXBRCLXUCNKP-UHFFFAOYSA-N 165.200 1.581 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@@H]1CF 1883123245 ANNHSYSQJRJNNJ-RITPCOANSA-N 186.190 1.019 10 10 ADCE NN[C@H](c1ccccc1O)[C@@H]1C[C@H]1F 1884715555 PWHKAKZRODFWFS-NQMVMOMDSA-N 196.225 1.255 10 10 ADCE Cc1sc(Cl)c(O)c1N 2080441393 OREZWIWYHUYJDQ-UHFFFAOYSA-N 163.629 1.998 10 10 ADCE CCOc1cc(C(=O)O)cc(O)c1O 14775866 OGTNGTNGPJWLRE-UHFFFAOYSA-N 198.174 1.195 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC(=O)C1 36455687 REUFKTIIFWODQS-SCSAIBSYSA-N 125.131 1.418 10 10 ADCE CCCCC(=O)C(=O)C(C)C 39646422 BALZFBRFUHEDQM-UHFFFAOYSA-N 156.225 1.971 10 10 ADCE Cc1cc(=O)oc2ccc(O)c(O)c12 75580474 ASOMKMLGQYKTOA-UHFFFAOYSA-N 192.170 1.513 10 10 ADCE CCCNCC/C=C/c1nccn1C 86571585 NQSQWMOTGMONLY-GQCTYLIASA-N 193.294 1.823 10 10 ADCE C[C@H]1CCCN(C[C@@H](O)CN=[N+]=[N-])C1 203326095 QQZFEAHPGAFRCI-IUCAKERBSA-N 198.270 1.390 10 10 ADCE CC[C@@H](N)c1cccc([N+](=O)[O-])c1O 211459265 JRYNDWXXIPRDHU-SSDOTTSWSA-N 196.206 1.710 10 10 ADCE CC[C@@H](N)c1ccc(F)c(O)c1O 238279350 IEFHQDGGZQRNTC-SSDOTTSWSA-N 185.198 1.647 10 10 ADCE O=C(O)c1cc2ccoc2c(O)c1O 238640219 OUAOJWQEOVQWPJ-UHFFFAOYSA-N 194.142 1.542 10 10 ADCE C/C=C/[C@@H]1C(=O)C(=O)C[C@H]1C 307351895 AWSDUMLIHBOEBW-OHUBKANTSA-N 152.193 1.357 10 10 ADCE C1=CCN(c2ccc3c(c2)CNC3)C1 307353562 RSIZBSBKNRYGFL-UHFFFAOYSA-N 186.258 1.666 10 10 ADCE C/C(=C\c1nccn1C)[C@H]1CCNC1 708541653 YOWYKRFKXWTANG-PCYYEKQGSA-N 191.278 1.433 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2C[C@H]2CF)C1 1883148783 ALKNTRZBZWZGRF-NKWVEPMBSA-N 184.218 1.587 10 10 ADCE CCN(CCN=[N+]=[N-])[C@H](C)[C@@H](C)O 1887712147 HBQZJIDDVDCEDX-HTQZYQBOSA-N 186.259 1.388 10 10 ADCE C[C@H](O)CCCN1CC[C@@H](N=[N+]=[N-])C1 1912165369 JUIOQWGPQDAKHB-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE C[C@H](C(=O)O)N1CCC[C@@H](N=[N+]=[N-])C1 1912172042 QSKOFXVADYETGR-RNFRBKRXSA-N 198.226 1.234 10 10 ADCE Cc1ncc(C(=O)NCCN=[N+]=[N-])o1 1912199746 XBSKDSGRYSCSSP-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE Cc1ccc(O)c([C@@H]2CC(=O)CN2)c1 1951948216 NADDSNDIPSKMBL-JTQLQIEISA-N 191.230 1.304 10 10 ADCE CC(=O)C(=O)C1(O)CC(CC2CC2)C1 2209481424 JHNTTZLAYXWHKU-UHFFFAOYSA-N 196.246 1.086 10 10 ADCE Nc1ccccc1N[C@H]1[C@@H]2CCO[C@@H]21 2297038360 KAJDNFHIRSUXDZ-SWPVVBRQSA-N 190.246 1.468 10 10 ADCE NC[C@H]1CCc2c1ccc(O)c2O 29204808 MSELERFZQGXIMH-ZCFIWIBFSA-N 179.219 1.086 10 10 ADCE CCN(C)CCOc1ccc(N)cc1 37078094 HXNSRWSCZAIFEI-UHFFFAOYSA-N 194.278 1.599 10 10 ADCE Nc1sc2c(c1O)CSCC2 84228065 QVARFJOIKLHLTB-UHFFFAOYSA-N 187.289 1.825 10 10 ADCE Cc1cc(F)cc([C@H](N)[C@@H](C)O)c1O 95665991 HNRDGMKFMORYSA-HZGVNTEJSA-N 199.225 1.220 10 10 ADCE OC[C@@H]1C=CCc2c1ccc(O)c2O 222952631 NLXOQGDDPFZPAV-ZETCQYMHSA-N 192.214 1.286 10 10 ADCE CCC[C@H](N)c1c(O)cccc1O 238242633 UDTRUTAXZWUGJI-ZETCQYMHSA-N 181.235 1.898 10 10 ADCE Cc1cc(CCCCN)cc(O)c1O 257971045 CVJSLDQUTLAQLN-UHFFFAOYSA-N 195.262 1.688 10 10 ADCE CC(=O)[C@@H]1C[C@@H](CN=[N+]=[N-])O[C@H]1C 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Cc1cc(F)cc([C@H](N)[C@H](C)O)c1O 95665992 HNRDGMKFMORYSA-IMTBSYHQSA-N 199.225 1.220 10 10 ADCE COC(=O)Oc1ccc(N)cc1 165786783 SWIDWYDWKMYMLV-UHFFFAOYSA-N 167.164 1.414 10 10 ADCE [N-]=[N+]=N[C@@H]1C(=O)O[C@@H]2C=CC[C@@H]12 219303851 OWFLIKAEISZKOI-PBXRRBTRSA-N 165.152 1.167 10 10 ADCE C[C@H](/C=C/[C@@H](C)C(=O)O)N=[N+]=[N-] 238428040 ZDNGVBAXDRXKGB-BYVKAKODSA-N 169.184 1.962 10 10 ADCE NC1(c2c(F)ccc(F)c2O)CC1 238558529 LPCXQRWEAUTFKU-UHFFFAOYSA-N 185.173 1.618 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2C[C@@H]1N 238575895 MISPEXIDLLHOFM-VHSXEESVSA-N 188.234 1.791 10 10 ADCE Nc1sccc1C(=O)S 257867334 DLKBHOIXZVIIMN-UHFFFAOYSA-N 159.235 1.400 10 10 ADCE Oc1ccc(C2(O)CC2)cc1O 258014346 NFPZIWBAJNXNSD-UHFFFAOYSA-N 166.176 1.079 10 10 ADCE C[C@@H](CCN)c1c(F)ccc(O)c1O 258279528 ZYZMZZWDTYWZSP-LURJTMIESA-N 199.225 1.689 10 10 ADCE O=[N+]([O-])C=Cc1cc(O)c(O)c(O)c1 1911855663 KWYJASBNCVFQRR-UHFFFAOYSA-N 197.146 1.051 10 10 ADCE C[C@@H]1C[C@]1(N)Cc1ccc(O)c(O)c1 1951525799 VJNQIUQSFLHRIJ-HQJQHLMTSA-N 193.246 1.378 10 10 ADCE Oc1cccc(C=C2CCNC2)c1O 1951593627 VLAWCSAZMLFIHZ-UHFFFAOYSA-N 191.230 1.475 10 10 ADCE C[C@@]1(CN)C[C@@H]1c1ccc(O)c(O)c1 1952238173 YQAIBINABLTOAR-KCJUWKMLSA-N 193.246 1.550 10 10 ADCE C[C@@H](N)[C@H](N=[N+]=[N-])c1cccnc1 1954081334 MWLYVUCURCVAPI-SVRRBLITSA-N 177.211 1.780 10 10 ADCE CN=c1cc(C)nc(CN=[N+]=[N-])[nH]1 1954831657 FWZGODHTFVLYGF-UHFFFAOYSA-N 178.199 1.059 10 10 ADCE C[C@H]1CC(=O)N1Cc1ccc(N)cc1 1955269645 JPPVXQIWDXQAIM-QMMMGPOBSA-N 190.246 1.390 10 10 ADCE CCC(CC)(CN)N(C)CCN=[N+]=[N-] 1957243762 HOOPTKSDZVDTKA-UHFFFAOYSA-N 199.302 1.746 10 10 ADCE C[C@H]1C[C@H]1CN(C)CCN=[N+]=[N-] 82649480 NRFOCYRCDFZAGL-YUMQZZPRSA-N 168.244 1.885 10 10 ADCE [N-]=[N+]=N[C@@H]1C=C[C@H](O)C12CC2 145786110 XEYJYWGYFVOQBR-RITPCOANSA-N 151.169 1.376 10 10 ADCE NCc1ccc2c(c1O)OCCCO2 258153060 UJWOVGICXQZTLJ-UHFFFAOYSA-N 195.218 1.012 10 10 ADCE CNCc1ccc2c(c1)C[C@H](C)N2C 258159975 RMUFOCPOLWWIPS-VIFPVBQESA-N 190.290 1.787 10 10 ADCE Nc1cc(F)cc([C@H]2CCN2)c1O 307197675 RWUJJSQEIUHNFB-MRVPVSSYSA-N 182.198 1.148 10 10 ADCE C[C@@H]1CN(c2ccc(N)cc2)C[C@@H]1O 307594463 IRYXCWCEHWHORF-KCJUWKMLSA-N 192.262 1.086 10 10 ADCE COC(=O)N=N/C=C/Cl 307816630 KSCUHXBJAUQSCF-CLWCCIFVSA-N 148.549 1.915 10 10 ADCE CC(C)(O)[C@@H]1CCCN1CCN=[N+]=[N-] 707546256 LHIXNRAZZOJWIW-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE CC1(C)C[C@H]1[C@H](O)CN=[N+]=[N-] 1880513988 YYXHRTOZPTYJOE-NTSWFWBYSA-N 155.201 1.704 10 10 ADCE CC1(Nc2ccc(N)cc2)CNC1 1883132688 DANQIJGUTKPUQB-UHFFFAOYSA-N 177.251 1.043 10 10 ADCE Nc1ccc(N2C[C@@H]3COC[C@H]32)cc1 1886759306 QNQXQPDTPDNHNS-LDYMZIIASA-N 190.246 1.104 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)N1CCC1 1887718552 ZEOYRIKRJSSAMY-UHFFFAOYSA-N 197.242 1.444 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC[C@H]2COC[C@@H]2O1 1893382234 KVABSMOHVBQNMU-FXQIFTODSA-N 183.211 1.491 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2C[C@@H](F)C2)C1 1893694325 RSGKGRZKFBXHMT-KNVOCYPGSA-N 184.218 1.729 10 10 ADCE CC[C@@H](CNC)Oc1ccc(N)cc1 1896269016 PCIDSDXHGSQBCF-JTQLQIEISA-N 194.278 1.646 10 10 ADCE [N-]=[N+]=NC1CN(Cc2csnn2)C1 1912144422 SPFQWSNDORONKT-UHFFFAOYSA-N 196.239 1.033 10 10 ADCE [N-]=[N+]=N[C@H]1CCCN(CCCO)C1 1912197517 VGXDFVQHYHORNN-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE CC(C)(N)c1ccc([N+](=O)[O-])cc1O 1951643408 JJCJNOZATSGPRU-UHFFFAOYSA-N 196.206 1.494 10 10 ADCE Cc1cccc([C@@]2(N)CC2(F)F)c1O 1952427383 UDNNDQAQQPGIDF-VIFPVBQESA-N 199.200 1.894 10 10 ADCE C[C@H]1CN[C@@H](C)CN(CCN=[N+]=[N-])C1 1957251198 ZBDRFQAABZNBOW-IUCAKERBSA-N 197.286 1.227 10 10 ADCE CC[C@H](O)c1ccc(O)c(O)c1 3612749 VLWNCJPMUMKUMF-ZETCQYMHSA-N 168.192 1.541 10 10 ADCE Cc1cc(CN)cc(CN(C)C)c1O 82894899 LZNPZVNKCXUZFO-UHFFFAOYSA-N 194.278 1.221 10 10 ADCE CCCN[C@H](C)/N=N/C 104616412 MSRXPKVAMVIBGT-OQHQPDIQSA-N 129.207 1.414 10 10 ADCE NCc1cc2c(c(Cl)c1O)CCC2 108308995 KSXAHPGOTDQECD-UHFFFAOYSA-N 197.665 1.993 10 10 ADCE C/N=N/[C@H](O)C(C)(C)C 149640780 RFMQHIRRYRVXKX-NHMFUHOKSA-N 130.191 1.433 10 10 ADCE CC[C@@H]1NCc2c(O)cccc21 221191708 VDPOCKCELPEQBL-VIFPVBQESA-N 163.220 1.947 10 10 ADCE [N-]=[N+]=NCCc1ccccc1C(N)=O 238627653 HRDCPZVCGICWRY-UHFFFAOYSA-N 190.206 1.638 10 10 ADCE O=C1C(=O)c2nc[nH]c2-c2ccccc21 238638667 BXWBQTQOLYNKLT-UHFFFAOYSA-N 198.181 1.456 10 10 ADCE CNCc1cccc([N+](=O)[O-])c1O 306507267 XNCYHMZRPPSLHZ-UHFFFAOYSA-N 182.179 1.020 10 10 ADCE Nc1ccc(CCCNCCF)cc1 308539508 MESBVKWSBMKUKG-UHFFFAOYSA-N 196.269 1.761 10 10 ADCE CCCN[C@@H]1CCN(C)[C@H]1CN=[N+]=[N-] 712233313 BCHFSOQUSKHZNE-BDAKNGLRSA-N 197.286 1.369 10 10 ADCE COc1cccnc1[C@@H](CO)N=[N+]=[N-] 1535745560 QVSZWBAWBVWJJP-ZCFIWIBFSA-N 194.194 1.434 10 10 ADCE CNC1(c2ccc(C)cc2O)CC1 1535806886 WHVANGYGZISKTR-UHFFFAOYSA-N 177.247 1.909 10 10 ADCE CC(C)C[C@@H]1CN[C@@H](CN=[N+]=[N-])OC1 1884861570 GXMHCFRNXYZMNL-RKDXNWHRSA-N 198.270 1.905 10 10 ADCE N[C@@H](c1cnco1)c1ccccc1O 1885012097 XTOFABXMSHYJAL-SNVBAGLBSA-N 190.202 1.428 10 10 ADCE COC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912146053 OUIIAKCFGDBVPK-RXMQYKEDSA-N 170.172 1.137 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@H]2C[C@@H]2C1=O 1912153659 CVTKWQARUGBVFH-SFYZADRCSA-N 194.238 1.555 10 10 ADCE NC[C@H]1C[C@H]1Cc1ccc(O)c(O)c1 1952074378 MGRKRJMZYSNHKB-RKDXNWHRSA-N 193.246 1.235 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1ccc(N)cc1 1954080638 BMAVLXUVOCHMBT-QMMMGPOBSA-N 178.195 1.613 10 10 ADCE COCC1=CCN(CCN=[N+]=[N-])CC1 1956267855 FWNCFANWAIYBIZ-UHFFFAOYSA-N 196.254 1.575 10 10 ADCE C[C@@H]1C[C@@H](CN)CCN1CCN=[N+]=[N-] 1957250903 TVRXKNVNOAQDJW-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE CC[C@@H](O)c1ccc(O)c(O)c1 3612751 VLWNCJPMUMKUMF-SSDOTTSWSA-N 168.192 1.541 10 10 ADCE Cc1cc(F)cc([C@@H](N)CCO)c1O 44236081 YIHQSAYSLSWYHM-VIFPVBQESA-N 199.225 1.222 10 10 ADCE Cn1c(CN)ccc1-c1cncs1 74247769 RTHVVONOUQNQLF-UHFFFAOYSA-N 193.275 1.607 10 10 ADCE CCOc1ccc(C(=O)C=[N+]=[N-])cc1 78950735 KJJOSTFTENNHDA-UHFFFAOYSA-N 190.202 1.569 10 10 ADCE CO[C@H]1CC[C@@H](N=[N+]=[N-])CO1 90548194 REAIPRSWNIYKFI-PHDIDXHHSA-N 157.173 1.448 10 10 ADCE CCOC(=O)CC(=O)CCCN=[N+]=[N-] 196166547 FTNKWKIYCLXTCK-UHFFFAOYSA-N 199.210 1.599 10 10 ADCE COC(=O)c1cc(CN=[N+]=[N-])on1 201903932 IXWWLUJEXMPMRY-UHFFFAOYSA-N 182.139 1.272 10 10 ADCE CCC1(CC)C/C(=C\O)C(=O)O1 238223918 ASZYLFYSGPUYMP-VOTSOKGWSA-N 170.208 1.934 10 10 ADCE C[C@@H]1CCc2cc(O)c(O)c(C=O)c21 238804873 DYXXWHAOCFVAMA-ZCFIWIBFSA-N 192.214 1.960 10 10 ADCE Cc1ccc(CNO)c(O)c1F 258004931 MEQSMJZAFVYVDM-UHFFFAOYSA-N 171.171 1.319 10 10 ADCE COC(=O)Cc1cc(C)c(O)c(O)c1 260319569 YGXDJCWPDLMHKI-UHFFFAOYSA-N 196.202 1.122 10 10 ADCE CCn1ccnc1/C=C1\CCNC1 690676571 ZTQHPZAMEJLSKO-VQHVLOKHSA-N 177.251 1.280 10 10 ADCE CC1(C(=O)CN=[N+]=[N-])CC1 1880072469 USQGDAHMWBWDNY-UHFFFAOYSA-N 139.158 1.666 10 10 ADCE CC1(C[C@H](O)CN=[N+]=[N-])CC1 1880543133 IBKVBMKDMYYHGJ-LURJTMIESA-N 155.201 1.848 10 10 ADCE CC[C@H](N)CCOc1ccc(N)cc1 1896246103 NZOIVWCGWWYXES-VIFPVBQESA-N 194.278 1.775 10 10 ADCE N[C@H](c1cocn1)c1ccccc1O 1929822896 ZBIBUJKGSHRWOK-JTQLQIEISA-N 190.202 1.428 10 10 ADCE Nc1ccc(CC2(C(=O)O)CC2)cc1 1951327673 CKGFYCBVOOQSNJ-UHFFFAOYSA-N 191.230 1.676 10 10 ADCE C[C@@H](NN)c1ccc2c(c1)CCN2C 1955954501 YCZVRJFSAPAXPL-MRVPVSSYSA-N 191.278 1.203 10 10 ADCE COc1ccc2c(c1)NC(=O)C2=CO 2053607244 YEOJFDQOVHPHCO-UHFFFAOYSA-N 191.186 1.546 10 10 ADCE CC[C@@H](NCCO)c1ccccc1O 20596983 DLKTXIVJBOAKLE-SNVBAGLBSA-N 195.262 1.425 10 10 ADCE C[C@H](CN=[N+]=[N-])C(=O)O 39399114 MSETUITVEZUPHK-GSVOUGTGSA-N 129.119 1.017 10 10 ADCE COc1ccc(N(C)C)cc1F 82712899 HCEOFEDWTJMNTI-UHFFFAOYSA-N 169.199 1.900 10 10 ADCE CN(O)C(C)(C)c1ccccc1O 82873747 OHYVXGCNHIYRHL-UHFFFAOYSA-N 181.235 1.948 10 10 ADCE CC[C@@](N)(C(=O)O)c1ccccc1O 211458317 DAJDDMVADUEKQY-JTQLQIEISA-N 195.218 1.041 10 10 ADCE C[C@@H]1OC=C[C@](C)(O)[C@@H]1N=[N+]=[N-] 213025065 JXTJQBXFKXERDL-XVMARJQXSA-N 169.184 1.349 10 10 ADCE NCc1c(O)cccc1-n1cccn1 213399082 WXFGBJOHSQZBFW-UHFFFAOYSA-N 189.218 1.037 10 10 ADCE CCCN(CN=[N+]=[N-])N(C)C 238252110 GYTSRQVJULXUDN-UHFFFAOYSA-N 157.221 1.443 10 10 ADCE COC(=O)c1sc2cn[nH]c2c1O 238323839 LKKDEGFHYNMDKH-UHFFFAOYSA-N 198.203 1.117 10 10 ADCE C[C@H](N)c1ccc(Cl)c(O)c1O 257967002 CHSMHGOIEMOKDB-BYPYZUCNSA-N 187.626 1.771 10 10 ADCE CCC(=O)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 306505709 FPVNEDUCPFWBKI-XHNCKOQMSA-N 178.231 1.747 10 10 ADCE Cn1c([N+](=O)[O-])cnc1CN=[N+]=[N-] 687811156 FQNYLMXRMHSTBC-UHFFFAOYSA-N 182.143 1.139 10 10 ADCE CC(C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 885819426 GUOGATYDJJGDAJ-MRVPVSSYSA-N 196.254 1.801 10 10 ADCE Nc1ccccc1N[C@H]1CC[C@H]1N 1883133462 DXUZWNNAECEBRA-SCZZXKLOSA-N 177.251 1.170 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H]1CC1(F)F 1893547949 XTZHXSMAUNPQHO-IUYQGCFVSA-N 163.127 1.313 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H]1CCCC[C@@H]1C 1929232414 ZAYMJYIMCAHJNZ-OVYXKVPISA-N 198.262 1.332 10 10 ADCE CC[C@H](CO)CNc1ccc(N)cc1 1933529454 BCFHUBMTUNVPBM-VIFPVBQESA-N 194.278 1.699 10 10 ADCE CNC(=O)N1CCC[C@H](N=[N+]=[N-])CC1 1934382379 ZSFOHXYRIYTUEI-ZETCQYMHSA-N 197.242 1.491 10 10 ADCE CC(=O)C(=O)c1sc(C)nc1C 1951322540 LEYWOBBLUGERIA-UHFFFAOYSA-N 183.232 1.532 10 10 ADCE C[C@H]1C[C@]1(N)Cc1ccc(O)c(O)c1 1951525798 VJNQIUQSFLHRIJ-CPCISQLKSA-N 193.246 1.378 10 10 ADCE [N-]=[N+]=NCCN1CCC12CC(CO)C2 1955549809 BOMRTTIHELMASF-UHFFFAOYSA-N 196.254 1.144 10 10 ADCE [N-]=[N+]=NCCN1CCC12CCNCC2 1957245563 YMDVMLJHVCNGFL-UHFFFAOYSA-N 195.270 1.125 10 10 ADCE CCN(Cc1ccc(N)cc1)C(C)=O 35361019 QYMZUCAUJDQVKO-UHFFFAOYSA-N 192.262 1.637 10 10 ADCE CCCS(=O)(=O)CCN=[N+]=[N-] 42416527 JWRAAFWHMRHNDP-UHFFFAOYSA-N 177.229 1.122 10 10 ADCE CN1CC[C@H](Nc2ccc(N)cc2)C1 42544895 IYFLNYTVZQBDHK-NSHDSACASA-N 191.278 1.385 10 10 ADCE CC(=O)OCCc1cccc(O)c1O 202277218 IXFQCPHCRLWVQP-UHFFFAOYSA-N 196.202 1.203 10 10 ADCE CC(C)OC(=O)N[C@H](C)CN=[N+]=[N-] 238175766 BFSQDINZQLYEHU-ZCFIWIBFSA-N 186.215 1.820 10 10 ADCE CCc1ccc(O)c([C@@H](N)CF)c1 238283374 CHBJVHCSGCBRKU-VIFPVBQESA-N 183.226 1.924 10 10 ADCE C[C@](N)(CCO)c1cccc(F)c1O 238502575 RASABGPUYBAIQJ-JTQLQIEISA-N 199.225 1.088 10 10 ADCE Cc1cc(F)cc([C@H](N)CF)c1O 238529318 GWSJSEZZJQBJFO-MRVPVSSYSA-N 187.189 1.809 10 10 ADCE Cc1cc(CC2(N)CC2)cc(O)c1O 258106375 PGAAZKZFXTVSHR-UHFFFAOYSA-N 193.246 1.440 10 10 ADCE Cc1nonc1N=Nc1nonc1C 263630252 QSKCPVURGKOJTB-UHFFFAOYSA-N 194.154 1.485 10 10 ADCE C/C(=C/[C@@H](C)N=[N+]=[N-])CO 307113103 QPTHROPZCIAWSV-CWVDAHFDSA-N 141.174 1.624 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCC2(CC2)CN1 575451453 AZYYVZGTLKWCEN-ZETCQYMHSA-N 166.228 1.829 10 10 ADCE CN(C)c1nc(CN=[N+]=[N-])ns1 700079082 OUWZSRSOIFGARV-UHFFFAOYSA-N 184.228 1.414 10 10 ADCE C[C@H]1C[C@H]1CN=[N+]=[N-] 722895366 BGRGBYWLTQIDJK-WHFBIAKZSA-N 111.148 1.953 10 10 ADCE Cc1ccc(C(=O)C=[N+]=N)o1 725397950 LWLTZMWSYBZHLT-UHFFFAOYSA-N 151.145 1.081 10 10 ADCE NC[C@@H]1CC[C@H]1Oc1ccc(N)cc1 1878008096 YAEVOYPDUOOQNN-GZMMTYOYSA-N 192.262 1.385 10 10 ADCE CC[C@]1(O)CCN(CCN=[N+]=[N-])C1 1912165822 PJAGGMXPAXQGIP-QMMMGPOBSA-N 184.243 1.144 10 10 ADCE CO[C@@H](CN=[N+]=[N-])C1CCOCC1 1912186213 AYWNOFPIOJFNEQ-QMMMGPOBSA-N 185.227 1.738 10 10 ADCE CC[C@H](C)N1CC(N=[N+]=[N-])C1 1912201046 OVPNNHABLBCMMP-LURJTMIESA-N 154.217 1.779 10 10 ADCE CN1CCC(N2CC(N=[N+]=[N-])C2)CC1 1912204338 AKILBCHMRPAKIK-UHFFFAOYSA-N 195.270 1.075 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H]1CC(C)C 1955758531 XHFZGTKBAGCPHE-KOLCDFICSA-N 198.262 1.332 10 10 ADCE COC(CCCN=[N+]=[N-])OC 95883918 ARVXFEPHYULIRQ-UHFFFAOYSA-N 159.189 1.696 10 10 ADCE CON[C@@H](C)c1cc(C)ccc1O 134231522 KBAHUGTZQZEHPW-QMMMGPOBSA-N 181.235 1.913 10 10 ADCE C[C@@H](C[C@@H](C)O)Nc1ccc(N)cc1 164409529 NUOIJQLIHNYYCP-DTWKUNHWSA-N 194.278 1.840 10 10 ADCE CC[C@H](N)c1cc(CO)ccc1O 211617061 UIVJDLOCOZOWLA-VIFPVBQESA-N 181.235 1.294 10 10 ADCE C[C@@H]1NC(=O)c2cccc(O)c21 221190591 FXIYEVFOGZFUFJ-YFKPBYRVSA-N 163.176 1.197 10 10 ADCE CC(=O)CCC=S 238094119 SUVAECIQJLSETF-UHFFFAOYSA-N 116.185 1.355 10 10 ADCE CCOc1ccc(O)c2c1OC[C@H]2N 238291129 ZYSOWFRYONXVAP-ZCFIWIBFSA-N 195.218 1.183 10 10 ADCE C[C@H](O)[C@@H](N)c1ccc(S)cc1O 238466211 HXMBEABSPSCFFL-SSDLBLMSSA-N 199.275 1.062 10 10 ADCE Oc1ccc([C@@H]2CCNC2)c(F)c1O 257972856 DATGOBNDYKIJKK-ZCFIWIBFSA-N 197.209 1.314 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]([C@H]2CO2)C[C@@H]1O 306238438 ITNXGJXLYPSLTL-FKSUSPILSA-N 183.211 1.225 10 10 ADCE COC1=C(C)C=C/C(=C(/O)N=N)N1 306302854 DCEOTDJUCFBVCY-QBGIDEBTSA-N 181.195 1.782 10 10 ADCE Cc1ccc([C@H](N)CCN)c(O)c1 306716502 FVNMDOVLEFPFKQ-SECBINFHSA-N 180.251 1.049 10 10 ADCE NOCCSc1nccs1 307105277 CXTYZCZOADTODD-UHFFFAOYSA-N 176.266 1.126 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H]2C1 688315580 PFUDQWAZLSDLMM-YUMQZZPRSA-N 166.228 1.639 10 10 ADCE CC[C@@H](CN)Nc1ccccc1N 1883134731 WPAQTIPDHHDADJ-QMMMGPOBSA-N 179.267 1.418 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@@H]1C[C@@H]2CCO[C@@H]12 1884078196 HVVJVBQUKIKTQK-DKXJUACHSA-N 183.211 1.083 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2CC[C@H]21 1912163390 JBQNZHKIBHXSQG-JGVFFNPUSA-N 166.228 1.781 10 10 ADCE Cn1ccn(CCCCN=[N+]=[N-])c1=O 1912174704 CPQWKTCSQVSLGV-UHFFFAOYSA-N 195.226 1.277 10 10 ADCE [N-]=[N+]=NC[C@H]1C[C@@H]1CF 1951332545 SVAGCTKUYHFLLA-RFZPGFLSSA-N 129.138 1.902 10 10 ADCE CC(=O)C(=O)C(F)(F)C(F)(F)F 1951496209 PBLOJUYDYMTADT-UHFFFAOYSA-N 190.067 1.342 10 10 ADCE COCC[C@@H](N)c1cc(C)ccc1O 1951595441 UJRUYHFUVMUVAT-SNVBAGLBSA-N 195.262 1.737 10 10 ADCE [N-]=[N+]=NCCCN1CCCNCCC1 1957251263 ZVWMKRBKTZLMTH-UHFFFAOYSA-N 197.286 1.372 10 10 ADCE Oc1c(F)cccc1Cn1cccn1 2069938215 FVIXQUAMEIPYFI-UHFFFAOYSA-N 192.193 1.776 10 10 ADCE Cc1nc(C)n(CCN=[N+]=[N-])n1 42416154 YHKCFCTYNQRLMW-UHFFFAOYSA-N 166.188 1.205 10 10 ADCE C[C@H]1C[C@H]1NCc1cccc(O)c1O 52275167 YTKFHQVGWXMFDL-IONNQARKSA-N 193.246 1.596 10 10 ADCE C/C=C\C=C\C(=O)NCCCN=[N+]=[N-] 88383576 VLVIIYROPAQQBB-MGLVMYNNSA-N 194.238 1.935 10 10 ADCE COC[C@H](N)c1cc(OC)ccc1O 104490452 FEFPZUOSSXYYPB-VIFPVBQESA-N 197.234 1.047 10 10 ADCE C[C@H]1CN[C@H](c2ccccc2O)CO1 108302882 HIDMPAZBKGLXSA-WPRPVWTQSA-N 193.246 1.442 10 10 ADCE CC(C)[C@H](N)c1c(O)cccc1CO 238168764 IXKREYUAPLSTPZ-NSHDSACASA-N 195.262 1.540 10 10 ADCE [N-]=[N+]=NCN1CCCCC1 238591701 AYSWRUAHWNOGLQ-UHFFFAOYSA-N 140.190 1.740 10 10 ADCE C/C=C\[C@@H]1C(=O)C(=O)C[C@H]1C 383816264 AWSDUMLIHBOEBW-FKCQFORESA-N 152.193 1.357 10 10 ADCE CN(CCN=[N+]=[N-])C[C@H]1CCOC1 398948953 QVPYBZJTRVQHCP-MRVPVSSYSA-N 184.243 1.265 10 10 ADCE Nc1ccc(N2C[C@H](F)[C@@H](F)C2)cc1 714706902 IOYZHALUBHHRTO-UWVGGRQHSA-N 198.216 1.765 10 10 ADCE O=C1C=S=C(c2ccccc2)S1 1088751097 OUORYKWXYNTORN-UHFFFAOYSA-N 194.280 1.973 10 10 ADCE CCC[C@H]1CN[C@H](CN=[N+]=[N-])OC1 1881959189 IIAKVUHMQFDFCE-YUMQZZPRSA-N 184.243 1.659 10 10 ADCE COCCN1CCC[C@H]1CN=[N+]=[N-] 1882187579 WEFLXQFKSZTPDA-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CC[C@@H](C2)[C@@H]1CO 1885167410 QIWVNBZNPPGIHU-CIUDSAMLSA-N 196.254 1.142 10 10 ADCE C[C@@]1(COc2ccc(N)cc2)CCN1 1896303168 SIBKXWGARNWMQE-NSHDSACASA-N 192.262 1.400 10 10 ADCE [N-]=[N+]=NCCCCn1cccnc1=O 1912153393 GNKHTNAAMBBDPT-UHFFFAOYSA-N 193.210 1.334 10 10 ADCE Cc1cc(CN)ccc1N1CC(F)C1 1917017797 UBSMINGQHINGKL-UHFFFAOYSA-N 194.253 1.612 10 10 ADCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2CCCC[C@@H]21 1929247951 AMSFOMGIQBYJPM-ATZCPNFKSA-N 196.246 1.086 10 10 ADCE C[C@H]1CC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 2209770494 ZCOAEKHINHJRSM-POYBYMJQSA-N 194.238 1.554 10 10 ADCE CC(C)[C@@H]1COCCN1CCN=[N+]=[N-] 2210065699 PZNPDJGAQIXCPI-VIFPVBQESA-N 198.270 1.654 10 10 ADCE CC[C@H]1NCCc2c1ccc(O)c2O 83656025 XHBYVLBYGGTGRS-SECBINFHSA-N 193.246 1.695 10 10 ADCE Nc1ccc(N[C@H]2CCOC2)cc1 87783185 YYHASASHEFTNJM-JTQLQIEISA-N 178.235 1.470 10 10 ADCE Cc1cccc([C@@H]2CCN2)c1O 95785069 GBCJGKFEXACHMG-VIFPVBQESA-N 163.220 1.735 10 10 ADCE N#C/N=[N+](\[O-])c1cccc([N+](=O)[O-])c1 105359386 OSBOHNBMGKKKCL-KTKRTIGZSA-N 192.134 1.670 10 10 ADCE CCN(C)Cc1ccc(OC)cc1O 132550293 NBXDXLAJQFXUTQ-UHFFFAOYSA-N 195.262 1.853 10 10 ADCE C[C@H](O)/C=C/c1ccc(O)c(O)c1 146087361 IETUJSYZCNZPKR-AIYRYJHASA-N 180.203 1.492 10 10 ADCE COC(=O)[C@H]1CC[C@H](CN=[N+]=[N-])C1 196933087 ZACMFJQANFMAGV-BQBZGAKWSA-N 183.211 1.886 10 10 ADCE C=S=C1C(C)(C)C(=O)C1(C)C 238230329 ZSAJRKZKHSKFAT-UHFFFAOYSA-N 170.277 1.959 10 10 ADCE [N-]=[N+]=NCCCc1cccc(N)n1 238621719 SXBRTUBACMIZPG-UHFFFAOYSA-N 177.211 1.907 10 10 ADCE [N-]=[N+]=CC(=O)C1CCCCCC1 259543117 BWNFUCFQZNOAQQ-UHFFFAOYSA-N 166.224 1.827 10 10 ADCE C[C@H]1CCCN(CCN=[N+]=[N-])[C@@H]1CO 688705559 QGNHHOIZCSDNSQ-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=NC[C@@H]1NCC2(CCCC2)O1 885408641 QCGYYVXZHDWJGQ-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE [N-]=[N+]=N[C@H](CO)C1CCOCC1 1535792150 HOZKLDDZQKNENW-SSDOTTSWSA-N 171.200 1.084 10 10 ADCE CC1CC2(CN[C@H](CN=[N+]=[N-])OC2)C1 1886561364 ATVLSYPJTQXOMS-MGURRDGZSA-N 196.254 1.659 10 10 ADCE Nc1ccc(NC2(CCO)CC2)cc1 1889552331 AFQABUHBZYRLMF-UHFFFAOYSA-N 192.262 1.596 10 10 ADCE COc1cnn(CCCCN=[N+]=[N-])c1 1912177618 GIJJABYGXRQXFJ-UHFFFAOYSA-N 195.226 1.982 10 10 ADCE C[C@H](CCO)N(C)c1ccc(N)cc1 1916996329 MBJUYPZZHQUXJV-SECBINFHSA-N 194.278 1.476 10 10 ADCE CC[C@H]1CC[C@@](O)(C(=O)C(C)=O)C1 1929143072 YTNDJWTVKJYKLD-WPRPVWTQSA-N 184.235 1.086 10 10 ADCE CC1CC(O)(CN(C)CCN=[N+]=[N-])C1 1933993463 XVQFYZGRMKEIGG-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1[C@@H]2C[C@H]2[C@H]2C[C@H]21 1955005085 NBHWXBFPMUCHGL-ZOZBQHSOSA-N 192.266 1.883 10 10 ADCE CN[C@@H](C)c1cc(C)ccc1O 24863206 UUGWFKBHAKBDLO-QMMMGPOBSA-N 165.236 1.981 10 10 ADCE CC[C@](C)(N=[N+]=[N-])C(=O)O 100168098 AKDCVYOADCIFBC-YFKPBYRVSA-N 143.146 1.550 10 10 ADCE CCCCOC(=O)/C(C)=C\O 113294572 LDNQJFRHFLTAHA-SREVYHEPSA-N 158.197 1.792 10 10 ADCE C[C@H]1CCCCN1C[C@@H](O)CN=[N+]=[N-] 203325426 HERNXFIHJJRPCA-IUCAKERBSA-N 198.270 1.532 10 10 ADCE COc1ccc(C2(N)CC2)c(O)c1 221279456 GQQAGXOUPWUUSJ-UHFFFAOYSA-N 179.219 1.349 10 10 ADCE C[Si]1(C)C[C@@H](N=[N+]=[N-])[C@@H](O)C1 238460741 AUVQZUJKQHOBGV-RITPCOANSA-N 171.276 1.748 10 10 ADCE Cc1nocc1C(=O)NCCN=[N+]=[N-] 402495012 DJYLJJHDKICKPK-UHFFFAOYSA-N 195.182 1.023 10 10 ADCE CNC(C)(C)c1cccc(O)c1O 1535734948 SVLMHMGUFNSIMN-UHFFFAOYSA-N 181.235 1.552 10 10 ADCE C[C@H](CCN)Nc1ccccc1N 1883134498 RTSQDZLMXVCGOA-MRVPVSSYSA-N 179.267 1.418 10 10 ADCE Nc1ccc(CN2CC[C@@H]2CF)cc1 1886117325 BVKFZKUEYZQFQY-LLVKDONJSA-N 194.253 1.813 10 10 ADCE C1=C(c2ncc3n2CCC3)CNCC1 1888036992 PMFLZTKEWNBFKO-UHFFFAOYSA-N 189.262 1.206 10 10 ADCE CC(=O)C(=O)[C@@](O)(CC1CC1)C1CC1 1892538240 BIQHIEGJCOAQDT-LLVKDONJSA-N 196.246 1.086 10 10 ADCE CC[C@H](Oc1ccc(N)cc1)[C@H](C)N 1896269067 PTTMMMVAPRRDLI-KWQFWETISA-N 194.278 1.773 10 10 ADCE [N-]=[N+]=NCCCCN1CC(CO)C1 1912176139 VJRRIIKGTPVXED-UHFFFAOYSA-N 184.243 1.001 10 10 ADCE Cc1ccc(=O)n(CCCN=[N+]=[N-])c1 1956868860 PBPCTIADHBWGNO-UHFFFAOYSA-N 192.222 1.857 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@H]1CN 1957243168 CSSSTUJTOHBEJG-DTWKUNHWSA-N 197.286 1.213 10 10 ADCE Nc1ccc(O)c(O)c1C(F)F 2055240180 TVOGSTSNUXGWJE-UHFFFAOYSA-N 175.134 1.618 10 10 ADCE CCNCc1sc(C)cc1O 2208963499 KVULITJEAQIKSP-UHFFFAOYSA-N 171.265 1.872 10 10 ADCE CCC1(N)C(=O)c2ccccc2C1=O 33317458 DKKSPGDHMCIECG-UHFFFAOYSA-N 189.214 1.173 10 10 ADCE NCCCCNCc1ccccc1O 37714749 HPEKBZXXBRQTGM-UHFFFAOYSA-N 194.278 1.221 10 10 ADCE COC(=O)[C@@H](C)Nc1ccc(N)cc1 49352067 NEBATWIVSMEUOD-SSDOTTSWSA-N 194.234 1.242 10 10 ADCE CN(C)c1ccc2c(c1)OCCO2 84918115 UDPZVLKIRSGQFU-UHFFFAOYSA-N 179.219 1.524 10 10 ADCE Cc1ccc(O)c([C@@H]2CNC(=O)N2)c1 95690217 BMPUUNHZKYSAQM-QMMMGPOBSA-N 192.218 1.055 10 10 ADCE CC[C@@H](N)c1ccc2c(c1O)OCO2 95781472 OBYJNHIIFQTKSP-SSDOTTSWSA-N 195.218 1.531 10 10 ADCE Cc1cccc2c1NC(=O)/C2=C\O 103951831 ROXQDJWBDVDQKT-YVMONPNESA-N 175.187 1.846 10 10 ADCE Cc1cc([C@@H](C)N)c(O)c(F)c1F 104512403 AQWSHVDNRKPEAW-RXMQYKEDSA-N 187.189 1.999 10 10 ADCE CC(C)(N=[N+]=[N-])c1cn[nH]n1 196532940 PAEXQUYVHLJGDM-UHFFFAOYSA-N 152.161 1.350 10 10 ADCE C[C@H](F)[C@@H](N)c1ccccc1O 212380384 YDZJADWIPZQQMO-IMTBSYHQSA-N 169.199 1.750 10 10 ADCE CC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])C1 222826623 GLALFYDUOUWMJH-WDSKDSINSA-N 195.186 1.206 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@H]2CC[C@@H]1N2 226049629 GCTZTOQVLUFQNM-XVMARJQXSA-N 152.201 1.437 10 10 ADCE Cc1cc(O)c(O)c([C@H](C)N)c1 238416875 NIMIWSPUQONIJV-LURJTMIESA-N 167.208 1.426 10 10 ADCE N[C@H]1CCc2ccc(F)c(O)c21 238630462 IDGPAPUYUCMTTE-ZETCQYMHSA-N 167.183 1.477 10 10 ADCE Cc1ccc([C@H](C)CN)c(O)c1O 258048245 QXNJSQXIPJLFRL-SSDOTTSWSA-N 181.235 1.468 10 10 ADCE OCc1c(O)c(O)cc2sccc12 306687573 LRDPOPDQHCYOSJ-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CCN[C@@H]1CCN(CC)[C@H]1CN=[N+]=[N-] 712230487 NRPVGZVFUZDENH-BDAKNGLRSA-N 197.286 1.369 10 10 ADCE CCCN1C(=O)NC[C@@H]1CN=[N+]=[N-] 721810685 CSODDIYCLMFIRK-ZCFIWIBFSA-N 183.215 1.101 10 10 ADCE CC1(C)C[C@@H](CO)CN1CCN=[N+]=[N-] 1886248887 MNMLSHXNWLVQQQ-MRVPVSSYSA-N 198.270 1.390 10 10 ADCE CC(C)(O)CCN1CC(N=[N+]=[N-])C1 1912153836 JOVLQMYOYOXCDE-UHFFFAOYSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2C=CCC2)C1 1912183161 LZALMZVLVQAHGH-QMMMGPOBSA-N 178.239 1.947 10 10 ADCE CC(=Cc1ncc(Cl)n1C)CCN 1928445087 VRIIFYMUMMWTHQ-UHFFFAOYSA-N 199.685 1.826 10 10 ADCE CC(C)(O)[C@@H](N)c1cccc(F)c1O 1951475343 PRFFBCBVFJJIPD-VIFPVBQESA-N 199.225 1.302 10 10 ADCE CC(=O)C(=O)CCc1cccc(O)c1 1951524574 NCVOHTYCMLOWAS-UHFFFAOYSA-N 192.214 1.483 10 10 ADCE Oc1cccc(F)c1CNCCF 1954505343 DVUGZOOWMWMCMZ-UHFFFAOYSA-N 187.189 1.590 10 10 ADCE [N-]=[N+]=NCC12COCC(C1)C2 2208967763 MBJSQRLUHSFGOB-UHFFFAOYSA-N 153.185 1.723 10 10 ADCE [N-]=[N+]=NCCS[C@@H]1CC[C@@H]1O 2242409892 SPZNNORPPFHSGR-NTSWFWBYSA-N 173.241 1.553 10 10 ADCE C=Cc1cc(O)c(O)c(O)c1 14829555 ZZMFDMIBZYLXQE-UHFFFAOYSA-N 152.149 1.446 10 10 ADCE [N-]=[N+]=NCc1ccon1 34462809 RQSGVVKIKCGVTK-UHFFFAOYSA-N 124.103 1.485 10 10 ADCE CC[C@@H](N)Cc1cc(O)c(O)cc1O 44399900 IEFKGDNDYWFIEA-SSDOTTSWSA-N 197.234 1.083 10 10 ADCE COc1ccc2c(c1)[C@@H](CN)CN2C 71484071 BTMYNOYZXZCBFE-QMMMGPOBSA-N 192.262 1.187 10 10 ADCE Cc1cc(CN=[N+]=[N-])n(C)n1 84261067 LFRZTHSNCOPBMI-UHFFFAOYSA-N 151.173 1.539 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@H](C1)O2 85541122 VVBGFCUADMWPHZ-OCAPTIKFSA-N 182.227 1.160 10 10 ADCE C/C=C\C=C/C(=O)NCCCN=[N+]=[N-] 88383574 VLVIIYROPAQQBB-BXAWZMCCSA-N 194.238 1.935 10 10 ADCE CC(C)COC(=O)CN=[N+]=[N-] 108412524 KKEVVNWSQWFICU-UHFFFAOYSA-N 157.173 1.496 10 10 ADCE Cc1ccc(O)c([C@@H](N)CCO)c1F 214158446 YUYBKHUOZRKSRV-ZETCQYMHSA-N 199.225 1.222 10 10 ADCE C[C@@H](O)CCN(C)CCCN=[N+]=[N-] 219856924 HLTIZKOTLKCPDE-MRVPVSSYSA-N 186.259 1.390 10 10 ADCE CC(=O)O[C@@H]1[C@@H](F)CC[C@@H]1N=[N+]=[N-] 238074329 CIIKSCPRMYMAEY-LYFYHCNISA-N 187.174 1.729 10 10 ADCE COc1cc(O)cc([C@@H](C)N)c1O 238395325 WKVCQJAGFVXMAW-RXMQYKEDSA-N 183.207 1.126 10 10 ADCE Cc1ccc(CN)c(O)c1F 257911884 AWHMPBPEFIXTSQ-UHFFFAOYSA-N 155.172 1.298 10 10 ADCE C[C@H]1c2c(O)cccc2[C@@H](O)CN1C 504373316 QHBRAZPZFNVIKN-XVKPBYJWSA-N 193.246 1.432 10 10 ADCE in-vitro CC[C@H](N=[N+]=[N-])[C@H](C)O 642837121 KICFIYAKNUSNQX-WHFBIAKZSA-N 129.163 1.456 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2COC[C@H]21 1882698816 QHPJRSJDCSMIMH-HTQZYQBOSA-N 182.227 1.017 10 10 ADCE CC1CC2(CN[C@@H](CN=[N+]=[N-])OC2)C1 1886561365 ATVLSYPJTQXOMS-QJAFJHJLSA-N 196.254 1.659 10 10 ADCE [N-]=[N+]=NCCN1C[C@@]2(CO)CC[C@H]1C2 1887071311 DARWCSYWRLPTEL-DTWKUNHWSA-N 196.254 1.144 10 10 ADCE NCC=Cc1ccc(Cl)c(O)c1O 1911651026 IMYDHSWEYHBWGG-UHFFFAOYSA-N 199.637 1.723 10 10 ADCE CC(C)(C)N1C[C@H](N=[N+]=[N-])[C@H](O)C1 1935175600 UQMKXBOJGHRYFR-NKWVEPMBSA-N 184.243 1.140 10 10 ADCE CC(=O)[C@@H](N)c1c(O)cccc1Cl 1952080588 BPZVJVOIDFJRDZ-SECBINFHSA-N 199.637 1.634 10 10 ADCE CO[C@@]12CC[C@@H]1CN(CCN=[N+]=[N-])C2 2210006835 YGSWWBFVFXEZER-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE CN(CCCN=[N+]=[N-])CC[C@@H]1CCO1 2242560571 NHTWDTDSUDBKQG-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC(C)(C)NCc1ccc(O)c(O)c1 21961024 GYOJCAJAMFIWOC-UHFFFAOYSA-N 195.262 1.986 10 10 ADCE CO[C@H](C)COCc1ccc(N)cc1 166916355 MOIDVPUOYIVWLA-SECBINFHSA-N 195.262 1.820 10 10 ADCE C[C@@H]1c2c(O)cccc2CCN1C 196216576 ZSOSVHQLRCGLFH-MRVPVSSYSA-N 177.247 1.941 10 10 ADCE COC(=O)/C=C/[C@@H](N=[N+]=[N-])[C@@H](C)CO 216659794 POJVCQMWHNRKQZ-HKFDCFJWSA-N 199.210 1.023 10 10 ADCE CCO[C@@H](CN=[N+]=[N-])OC 238258727 DONCATPNYNXPJU-YFKPBYRVSA-N 145.162 1.306 10 10 ADCE CN(N)Cc1cc(Cl)ccc1O 238290722 SFDPJCGPYZPAQA-UHFFFAOYSA-N 186.642 1.351 10 10 ADCE C[C@@H]1CC(=O)C(=O)C(C)(C)C1 238406040 MYWVVMHWYURAKD-ZCFIWIBFSA-N 154.209 1.581 10 10 ADCE CC(C)(N)c1ccc(O)c(O)c1F 258176464 WESBAYBKGYFTBP-UHFFFAOYSA-N 185.198 1.431 10 10 ADCE O=C(O)/C=C\NCc1ccccc1O 308432375 FRUIDMQSULXDPZ-WAYWQWQTSA-N 193.202 1.080 10 10 ADCE CCCONCc1ccc(O)cc1O 315307536 YLQRTIZMWARWFS-UHFFFAOYSA-N 197.234 1.529 10 10 ADCE CC(C)[C@@H]1C[C@H](O)CN1CCN=[N+]=[N-] 1892801053 KNCRHUOJHSBJSK-IUCAKERBSA-N 198.270 1.388 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)CC1CCC1 1929234736 SPZUBZRDXAMSML-JTQLQIEISA-N 184.235 1.086 10 10 ADCE Nc1ccc(NCc2ncno2)cc1 1932172025 QPPZFBNBUZIFBH-UHFFFAOYSA-N 190.206 1.264 10 10 ADCE COc1c(C)cccc1C(=O)C(C)=O 1951484474 GBGJSONPQULTOS-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE CC(=O)C(=O)c1ccc(O)c(C)c1 1951521885 NGZSSNHTAIYLGE-UHFFFAOYSA-N 178.187 1.472 10 10 ADCE OC[C@@H](F)c1cccc(O)c1O 1952100572 CYSABGVXEXFSQZ-ZCFIWIBFSA-N 172.155 1.101 10 10 ADCE CCNc1cnc(CN=[N+]=[N-])cn1 1954831810 GPFYXIDKYUIDPN-UHFFFAOYSA-N 178.199 1.719 10 10 ADCE CN(C)C1(C)CN(CCCN=[N+]=[N-])C1 1955538573 JIPPPIGALZXLMV-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE C[C@H]1CCNCCN1CCCN=[N+]=[N-] 1957247187 MNGBVFYLXSYLRM-VIFPVBQESA-N 197.286 1.371 10 10 ADCE [N-]=[N+]=NCCC[C@H]1CCC[C@@]1(O)CO 34455362 KFDUQNDUVYQSQR-RKDXNWHRSA-N 199.254 1.600 10 10 ADCE NCc1cccc(OCC2CC2)c1O 95723785 WCDMTEKJIIMSDS-UHFFFAOYSA-N 193.246 1.640 10 10 ADCE N[C@@H]1CCCc2cc(O)cc(O)c21 95786751 NUPJKBAYWBMTSS-MRVPVSSYSA-N 179.219 1.434 10 10 ADCE Nc1ccsc1C=S 104651839 ILZVEIPSWGEUBD-UHFFFAOYSA-N 143.236 1.678 10 10 ADCE Cc1ccccc1CCC(=O)C=[N+]=[N-] 147178544 PNUHICIXXBYRSV-UHFFFAOYSA-N 188.230 1.797 10 10 ADCE CC1(C)OC2(CCCCC2)C(=O)C1=O 196481314 FAYMYNSGDAYRDX-UHFFFAOYSA-N 196.246 1.636 10 10 ADCE C/[N+]([O-])=N/Nc1ccccc1C(=O)O 215964859 MDBGZRMEDCVDQN-KHPPLWFESA-N 195.178 1.304 10 10 ADCE C[C@H]1C[C@@H](N(C)CCCN=[N+]=[N-])CO1 401450911 FYQBKVYMOXPCKM-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE C[S@@](=O)N1CCC[C@H]1CN=[N+]=[N-] 692825223 AVYBVVWDGYVWSF-PWCHPLFNSA-N 188.256 1.055 10 10 ADCE CC(C)[C@@]1(C)CN[C@H](CN=[N+]=[N-])O1 885456412 OXEMNHHIVQOWFQ-JGVFFNPUSA-N 184.243 1.657 10 10 ADCE CC[C@@H]1[C@@H](O)CC[C@H]1N=[N+]=[N-] 1880237305 MFBCVHGNXSHSGG-XVMARJQXSA-N 155.201 1.846 10 10 ADCE C[C@H](O)CCN1CCC[C@@H]1CN=[N+]=[N-] 1885284357 AEWCJSCUAAJUHZ-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1[C@@H]1CC[C@H]1O 1885288788 XUZVDJFGZVLUMB-IWSPIJDZSA-N 196.254 1.284 10 10 ADCE CCN(C#N)CCN=[N+]=[N-] 1887718043 RXHYXHAJNVDIMT-UHFFFAOYSA-N 139.162 1.100 10 10 ADCE C=CC(=O)N1CCC(N=[N+]=[N-])CC1 1912172217 RYRADANAXCTDBR-UHFFFAOYSA-N 180.211 1.474 10 10 ADCE C[C@H]1CCO[C@H](C)CN1CCN=[N+]=[N-] 1912211654 ZCJTXTXZPFDCIK-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CN[C@H](c1ccccc1O)C(F)F 1928468560 YDLAQBPUCFBMBZ-MRVPVSSYSA-N 187.189 1.918 10 10 ADCE CCOc1cc(N)c(O)c(O)c1 2055135866 DYLPTWRTALNLGH-UHFFFAOYSA-N 169.180 1.079 10 10 ADCE COc1ccc([N+](C)(C)C)cc1O 1844076 UKGBXDDVUYXRTN-UHFFFAOYSA-O 182.243 1.598 10 10 ADCE Nc1ccc(N(CCO)C2CC2)cc1 42478970 KJGNUDPZTVYETH-UHFFFAOYSA-N 192.262 1.230 10 10 ADCE Oc1ccc(C2OCCO2)cc1O 44227509 QCEFMPSEGBNFMJ-UHFFFAOYSA-N 182.175 1.143 10 10 ADCE Oc1cc2c(cc1O)NCCCN2 76603872 LYUXOOQKJNBDSI-UHFFFAOYSA-N 180.207 1.325 10 10 ADCE CCOCOc1ccc(N)cc1 83755848 QHXMZUWEDVQYLD-UHFFFAOYSA-N 167.208 1.642 10 10 ADCE Cc1c(F)ccc(O)c1[C@H](C)N 104574941 DATFJBJCOMKBPY-LURJTMIESA-N 169.199 1.859 10 10 ADCE CCCC[C@@H](CO)N=[N+]=[N-] 141533464 IPOJSCYTQTWAHK-LURJTMIESA-N 143.190 1.848 10 10 ADCE Cc1nnc(Oc2ccc(N)cc2)o1 211507867 WFWSQSSEALCHBX-UHFFFAOYSA-N 191.190 1.753 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN2C(=O)CCC[C@@H]12 211908467 KQADSAKAUUVRKH-SFYZADRCSA-N 194.238 1.840 10 10 ADCE O=C(O)[C@@H]1CCNc2ccccc2N1 213603434 UCTXHLDVRCSSBB-VIFPVBQESA-N 192.218 1.367 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCOC1 218190610 FYMHCUGEGYGOBK-LURJTMIESA-N 141.174 1.723 10 10 ADCE NCCCCc1cccc(O)c1O 220298873 QWCUQITXNCRXGK-UHFFFAOYSA-N 181.235 1.379 10 10 ADCE N[C@@H]1CCCc2ccc(O)c(O)c21 238609894 ZIVJFRSDLGHDFX-SSDOTTSWSA-N 179.219 1.434 10 10 ADCE [N-]=[N+]=N[C@@H]1CC(C(N)=O)C[C@H]1N=[N+]=[N-] 238629243 ZCTMWTOELWRVRT-RFZPGFLSSA-N 195.186 1.240 10 10 ADCE Cc1cc(CC(C)(C)N)cc(O)c1O 257986926 FCUFQPMJQGRNTI-UHFFFAOYSA-N 195.262 1.686 10 10 ADCE CN(C)N=Nc1[nH]cnc1Cl 396143134 UCUDHQNYILULDU-UHFFFAOYSA-N 173.607 1.623 10 10 ADCE C[C@@H]1CCCCN(CCN=[N+]=[N-])C1=O 703639160 RXIURVPMBJUMHQ-MRVPVSSYSA-N 196.254 1.945 10 10 ADCE C[C@]1(C(F)F)CN[C@H](CN=[N+]=[N-])O1 885590016 JHYXYDCQPUKNHX-UJURSFKZSA-N 192.169 1.266 10 10 ADCE CN1CCC[C@@H]1C[C@H](CO)N=[N+]=[N-] 1535774329 GVCSZRVQUKGREH-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cc(F)ccc1O 1535870068 XWMQLOPTTXQYEC-ZETCQYMHSA-N 197.169 1.875 10 10 ADCE C[C@H](F)CN=[N+]=[N-] 1879934045 NGGWGMXLFVJXMQ-VKHMYHEASA-N 103.100 1.655 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2C[C@@H]2F)C1 1881087315 AUGHQOIRDXQCKC-VDTYLAMSSA-N 170.191 1.339 10 10 ADCE [N-]=[N+]=NCCN1CCC2(COC2)C1 1912165191 HOQUNSREVWAVTM-UHFFFAOYSA-N 182.227 1.019 10 10 ADCE CC(=O)C(=O)c1cnn2ccccc12 1952217892 MKJWXZIMBRAISY-UHFFFAOYSA-N 188.186 1.106 10 10 ADCE Cc1cc(=N)c(CN=[N+]=[N-])c[nH]1 2297003053 YPKQEGHEYVRMMD-UHFFFAOYSA-N 163.184 1.613 10 10 ADCE C[C@@H](O)[C@H](N)c1ccc(N(C)C)cc1 41206838 FETDJDVRCQKPFT-KCJUWKMLSA-N 194.278 1.133 10 10 ADCE CCCC(=O)NCCN=[N+]=[N-] 42375168 ZBSRRTBMQAQKGQ-UHFFFAOYSA-N 156.189 1.213 10 10 ADCE [N-]=[N+]=NCCCn1ccc(=O)cc1 61628360 UJEBGENTCFMFAT-UHFFFAOYSA-N 178.195 1.549 10 10 ADCE Nc1[nH]ncc1-c1nccs1 70601591 CDWFHAHRSVANBA-UHFFFAOYSA-N 166.209 1.115 10 10 ADCE CC[C@H](N)c1ccc(O)cc1O 71451973 TTYGMYYRVPGRKW-QMMMGPOBSA-N 167.208 1.508 10 10 ADCE Cc1ccc(C(=O)O)c(O)c1[C@@H](C)N 95780950 OFTSFBHZYRCKSP-ZCFIWIBFSA-N 195.218 1.419 10 10 ADCE CC[C@@H](CC(=O)O)N=[N+]=[N-] 142032613 UFJDQTDVINVPBC-BYPYZUCNSA-N 143.146 1.550 10 10 ADCE CC(C)(C)COC(=O)CN=[N+]=[N-] 238152293 ARWKQQPVGVCLJF-UHFFFAOYSA-N 171.200 1.886 10 10 ADCE CCc1cc(CC)c(O)c(O)c1O 238322424 BNOWMMVZUFHMBK-UHFFFAOYSA-N 182.219 1.928 10 10 ADCE C[C@H](O)CC[C@H](C)N=[N+]=[N-] 238435106 OGMHLKZJUNKCCS-WDSKDSINSA-N 143.190 1.846 10 10 ADCE C[C@H]1CNC(=O)N1c1ccc(N)cc1 257901539 YVOHXIRKPVMDLY-ZETCQYMHSA-N 191.234 1.187 10 10 ADCE [N-]=[N+]=N[C@H]1CCC(C(=O)O)(C(=O)O)C1 306664453 SAVLTPOLFRXZBE-BYPYZUCNSA-N 199.166 1.005 10 10 ADCE Nc1ccc(NC[C@H]2CCO2)cc1 1882953260 BCKWECWWPFNEOR-SNVBAGLBSA-N 178.235 1.470 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1C[C@H]1CF 1883150019 JQYFKMHNEQNHQQ-YUMQZZPRSA-N 186.234 1.834 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)[C@H](C)C(C)C 1889136724 DVMCYCMVSSKWTN-XCBNKYQSSA-N 186.251 1.188 10 10 ADCE C[C@@H](CN)CCOc1ccc(N)cc1 1896285417 RSGULJVPIPVCKL-SECBINFHSA-N 194.278 1.633 10 10 ADCE CC(=O)C(=O)[C@H](O)[C@H]1C[C@@H]1C(C)(C)C 1898808453 RBHBFLXBRGMGDI-OYNCUSHFSA-N 198.262 1.188 10 10 ADCE C[C@H]1CCOC[C@H]1N(C)CCN=[N+]=[N-] 1912173116 JNUGSNHOGHJGTG-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE CC(C)(C)[C@H](NN)c1ccccc1O 1928480602 LBJXTEWHCIXRLA-SNVBAGLBSA-N 194.278 1.943 10 10 ADCE OC[C@@]1(F)C[C@H]1c1cccc(O)c1O 1952374759 KSHJFNCMDCOBKS-XVKPBYJWSA-N 198.193 1.286 10 10 ADCE [N-]=[N+]=NCC[S@](=O)CC1CCC1 2209083734 ACAMWDIXXFTIKN-LBPRGKRZSA-N 187.268 1.846 10 10 ADCE C[C@@]1(CO)C=CCN1CCCN=[N+]=[N-] 2209890049 JZTPZQOYRWCMJZ-VIFPVBQESA-N 196.254 1.310 10 10 ADCE Cc1cc(C)c([C@@H](N)C(=O)O)c(O)c1 82895400 ZCTOJJSLQNBRPE-SECBINFHSA-N 195.218 1.093 10 10 ADCE C[C@@H]1Cc2cc(CN)ccc2N1C 84250233 FALXRGJQMXKFAS-MRVPVSSYSA-N 176.263 1.526 10 10 ADCE Cc1[nH]c2ccc(O)c3c2c1CNC3 84306309 LCQNMCRSIPPTLN-UHFFFAOYSA-N 188.230 1.785 10 10 ADCE C[C@H]1CN[C@@H](CN=[N+]=[N-])S1 87602892 XKJFVWBOIRIUND-CRCLSJGQSA-N 158.230 1.348 10 10 ADCE COC(=O)[C@H]1CCC[C@H]1N=[N+]=[N-] 200181306 KKROTWHRMAKDNY-NTSWFWBYSA-N 169.184 1.638 10 10 ADCE CCCn1ccnc1/C=C\CCN 211463501 YPIVXNAHMSSTIC-HYXAFXHYSA-N 179.267 1.655 10 10 ADCE C[C@@H](N)c1cc(CF)ccc1O 212388421 VRSLVDNTEPVYPP-ZCFIWIBFSA-N 169.199 1.881 10 10 ADCE CC(C)(C)[C@H]1CCCC(=O)C1=O 238090025 BWYVGXOYJKVYBM-ZETCQYMHSA-N 168.236 1.971 10 10 ADCE CN(C)c1ccc(O[C@@H]2C[C@@H]2N)cc1 238328395 QIPVGEYRBDENRG-WDEREUQCSA-N 192.262 1.231 10 10 ADCE [N-]=[N+]=NC1C[C@H]2CNC[C@@H]2C1 238588464 OPCPMVPTLRLODA-WDSKDSINSA-N 152.201 1.295 10 10 ADCE S=C1NNC[C@H]2CCCC[C@@H]12 307461534 JAYDGFDGPZZMFY-RNFRBKRXSA-N 170.281 1.228 10 10 ADCE CNN[C@@H](C)c1ccc(F)cc1O 704703905 YROKKSCBETZYFU-LURJTMIESA-N 184.214 1.316 10 10 ADCE COc1cc([C@H](C)ON)cc(O)c1O 1536203200 DPYMYBJSEWDJLL-YFKPBYRVSA-N 199.206 1.058 10 10 ADCE CC1CC([C@@H](O)CN=[N+]=[N-])C1 1880513608 WWUFDALWTVGYFH-AHXFUIDQSA-N 155.201 1.704 10 10 ADCE C[C@H](O)[C@@H]1CCN1c1ccc(N)cc1 1885787511 MDOHTYIEMGXFMI-KWQFWETISA-N 192.262 1.228 10 10 ADCE CN1CC[C@@H]1COc1ccc(N)cc1 1886314402 GBGZWEGFHVGYLY-SNVBAGLBSA-N 192.262 1.352 10 10 ADCE CC(=O)C(=O)[C@@]1(O)CC(C)(C)C1(C)C 1904503745 OGVANTLPVKQFBG-NSHDSACASA-N 198.262 1.332 10 10 ADCE Cc1ccc(O)c([C@@]2(N)C[C@@H]2C)c1 1951735196 ULKBEQOVOUAWSV-GZMMTYOYSA-N 177.247 1.894 10 10 ADCE N[C@H](CF)c1cc(F)cc(F)c1O 1952645400 UCFISZXJLRZOSH-SSDOTTSWSA-N 191.152 1.640 10 10 ADCE COC[C@@H]1C[C@@H]1Nc1ccccc1N 1957228313 ZHHFVQINKFLJGD-KWQFWETISA-N 192.262 1.716 10 10 ADCE C[C@@H]1CNC[C@@H](C)N(CCN=[N+]=[N-])C1 1957243873 IUEBVRBMRFZQAD-RKDXNWHRSA-N 197.286 1.227 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@@H](CN)C1 1957247048 KTGOMLNMCDGSFM-VIFPVBQESA-N 197.286 1.358 10 10 ADCE COc1cc(O)c(O)c(F)c1 2054944292 IDGLHLBMFUSWIO-UHFFFAOYSA-N 158.128 1.246 10 10 ADCE CC[C@@H](O)CNc1ccc(N)cc1 78010384 ZOYYUUSGWBEYDY-SNVBAGLBSA-N 180.251 1.452 10 10 ADCE Cc1ccc(C)c(CNO)c1O 82852663 BKLBGHDIAMZWOD-UHFFFAOYSA-N 167.208 1.488 10 10 ADCE Cc1c(F)ccc(O)c1CN 84250535 ILUVEIDPUAIJRU-UHFFFAOYSA-N 155.172 1.298 10 10 ADCE S=c1[nH]c2c([nH]1)CSCC2 87200558 IYSAZSMTEZTMME-UHFFFAOYSA-N 172.278 1.862 10 10 ADCE CN(CCCN=[N+]=[N-])C(C)(C)CO 133714445 AMYFHYBXWVNALM-UHFFFAOYSA-N 186.259 1.390 10 10 ADCE Nc1cc2[nH]ccc2c(O)c1O 212175903 AKTDGMDRGUHOJZ-UHFFFAOYSA-N 164.164 1.161 10 10 ADCE Cc1cc(N)c(O)c(O)c1Cl 212566804 XHBGGPFPBHOCRX-UHFFFAOYSA-N 173.599 1.642 10 10 ADCE Oc1cccc(CC2(O)CC2)c1O 258026773 ORQQCGQKIPGQLH-UHFFFAOYSA-N 180.203 1.165 10 10 ADCE ONCc1c(O)ccc2c1CCCC2 258160634 UZZQKIATCQQOTD-UHFFFAOYSA-N 193.246 1.750 10 10 ADCE Oc1ccc2occc2c1O 258498784 KTMQWYNPIYTLCW-UHFFFAOYSA-N 150.133 1.844 10 10 ADCE 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CCN(CCN=[N+]=[N-])Cc1ncc[nH]1 1887712292 JLLUKMBPEHAZPO-UHFFFAOYSA-N 194.242 1.542 10 10 ADCE Nc1ccc(COC[C@@H]2CCO2)cc1 1888419666 UDKDQMCOZOUIBF-NSHDSACASA-N 193.246 1.574 10 10 ADCE C[C@H](Oc1ccc(N)cc1)C1CNC1 1896268554 JJCWFCVLCLHAIQ-QMMMGPOBSA-N 192.262 1.256 10 10 ADCE C[C@@H]1CC[C@@]2(CN[C@@H](CN=[N+]=[N-])O2)C1 1901184124 LENXNEGRZYUHKD-HLTSFMKQSA-N 196.254 1.801 10 10 ADCE Nc1ccc(NC[C@H]2CC[C@@H]2O)cc1 1904728414 VGSXLYFAHFKJHJ-KCJUWKMLSA-N 192.262 1.452 10 10 ADCE COC(=O)C(C)=CCN=[N+]=[N-] 1911604470 HHLFIIZHIATBQB-UHFFFAOYSA-N 155.157 1.416 10 10 ADCE [N-]=[N+]=NCCCN1CCC2(COC2)C1 1912168381 CXBNMJWURRESDT-UHFFFAOYSA-N 196.254 1.409 10 10 ADCE [N-]=[N+]=NCCCCN1CCNC1=O 1912179523 VEOBVTHXXBVGLX-UHFFFAOYSA-N 183.215 1.102 10 10 ADCE NC[C@@H](F)CCc1ccc(O)c(O)c1 1952396166 ICCZKRISLOJNPU-QMMMGPOBSA-N 199.225 1.327 10 10 ADCE CC[C@@H](C)C(=O)[C@H]1CCC(=O)C1=O 1954805742 GHOQBXAXJABWAB-RNFRBKRXSA-N 182.219 1.150 10 10 ADCE CC(C)(F)[C@H](NN)c1ccccc1O 1956681910 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194.278 1.773 10 10 ADCE [N-]=[N+]=NC1CCN([C@H]2CCOC2)CC1 1912171582 MRIWNKURBAAAIL-VIFPVBQESA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=NC[C@@H]1CC12CCNCC2 1912177134 CCMQUCLMYALXSC-ZETCQYMHSA-N 166.228 1.686 10 10 ADCE CC1CC(O)(CN2CC(N=[N+]=[N-])C2)C1 1933993316 VPJUJYVGNDCGHR-UHFFFAOYSA-N 196.254 1.142 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CC[C@@H]2C1=O 1935424628 OORGXDVQGHIKEK-YUMQZZPRSA-N 194.238 1.555 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])CC[C@@H]1N 1957247689 UUHWLDCGCNAPQE-IUCAKERBSA-N 197.286 1.356 10 10 ADCE CC[C@@H](C)C(=O)NCCN=[N+]=[N-] 42012199 PJPKWROEXJIXER-ZCFIWIBFSA-N 170.216 1.459 10 10 ADCE Cn1ccc2c(CCN)nccc21 75565583 ZAQYWASNCDFIDH-UHFFFAOYSA-N 175.235 1.075 10 10 ADCE Cc1ccc(C=O)c(O)c1CN(C)C 82388250 RHSNIJXUMSQHSS-UHFFFAOYSA-N 193.246 1.575 10 10 ADCE CN(C)c1ccc([C@@H]2CN2)cc1 82522593 GOOTVHHVQGZZJA-JTQLQIEISA-N 162.236 1.397 10 10 ADCE N[C@@H](CCC(=O)O)c1ccccc1O 82895429 PWYOZYDQRBTATR-QMMMGPOBSA-N 195.218 1.257 10 10 ADCE [N-]=[N+]=NCC/C=C/C=C\[C@H](O)CCO 211198736 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171.171 1.067 10 10 ADCE CCOC(=O)c1cc(C)c(O)c(O)c1 220177738 JMECNLFEVHIDBE-UHFFFAOYSA-N 196.202 1.583 10 10 ADCE CC1(C)C[C@@]2(C)C[C@H]2C(=O)C1=O 238238269 NKXZPPXRQXUDDS-QUBYGPBYSA-N 166.220 1.581 10 10 ADCE [N-]=[N+]=NCCC[C@@H]1CO1 238590372 JZRDZKUTODRVMO-RXMQYKEDSA-N 127.147 1.476 10 10 ADCE Cc1nc(CN=[N+]=[N-])co1 306236719 FFSJHGCBCARCAI-UHFFFAOYSA-N 138.130 1.793 10 10 ADCE C[C@@H]1C(=O)N(CCN=[N+]=[N-])[C@H](C)[C@H]1C 307499885 LZBFFKXSSAJEOH-BIIVOSGPSA-N 196.254 1.800 10 10 ADCE C[C@@H]1[C@H](CO)CCN1CCCN=[N+]=[N-] 385707847 QOCALSUOJJGSQZ-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE CC(C)ONCc1ccc(O)c(O)c1 393534807 XLKRJBSKEOJLMC-UHFFFAOYSA-N 197.234 1.527 10 10 ADCE C[C@H]1C[C@@H](N(C)CCN=[N+]=[N-])CO1 401441998 CBUMOJDYIGJNFB-JGVFFNPUSA-N 184.243 1.406 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(F)cn1 1535849163 BQXXCVGWBOSMKZ-ZETCQYMHSA-N 182.158 1.564 10 10 ADCE COC[C@H]1C[C@H]1CN=[N+]=[N-] 1880066553 JEKMUEZCTLCOHA-NTSWFWBYSA-N 141.174 1.579 10 10 ADCE C[C@H](N)CCNc1ccc(N)cc1 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CC/C(=C\c1ccc(O)c(O)c1)CO 86209035 HGVGKZUMBGASPK-VMPITWQZSA-N 194.230 1.884 10 10 ADCE Cc1cccc([C@H](N)[C@H](C)O)c1O 95659739 DOMHPPRYEREMRF-IONNQARKSA-N 181.235 1.081 10 10 ADCE [N-]=[N+]=NCC12C[C@@H]3CN(C[C@@H]3C1)C2 196376541 QLUQCMWPCYAUGO-JVHMLUBASA-N 178.239 1.639 10 10 ADCE NC(=O)/N=N/c1ccccc1C(=O)O 204093464 XPJRKTPUCZXQKR-ZHACJKMWSA-N 193.162 1.547 10 10 ADCE C[C@]1(N)CCc2cccc(O)c21 219367697 JQXFYOZHDVMIOF-JTQLQIEISA-N 163.220 1.512 10 10 ADCE [N-]=[N+]=C1Cc2ccccc2N1 223119298 HWGVLDFLGMFBFU-UHFFFAOYSA-N 145.165 1.283 10 10 ADCE NC(/N=N/c1ccccc1)=S=O 306271697 ULLOJZJQBRASMF-MDZDMXLPSA-N 181.220 1.029 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H]2C=C[C@H]1[C@H](O)C2 306372269 IASNAWHGGJWPBP-VWDOSNQTSA-N 151.169 1.232 10 10 ADCE [N-]=[N+]=Cc1cccc(Br)n1 306933646 GEZGGXAEEHCBFW-UHFFFAOYSA-N 198.023 1.493 10 10 ADCE Oc1ccccc1CNN1CCCC1 686776444 WTBRQWRUTZJMBP-UHFFFAOYSA-N 192.262 1.493 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H](N2CCC2)C1 702304224 HBAHMZAGBGYKKN-VIFPVBQESA-N 195.270 1.077 10 10 ADCE [N-]=[N+]=NCCCN1CC(C(F)F)C1 706467667 NKLPGDUQERTETD-UHFFFAOYSA-N 190.197 1.884 10 10 ADCE [N-]=[N+]=NC[C@@H](O)C1CCOCC1 885325418 WJQRUWLRAQBZOT-SSDOTTSWSA-N 171.200 1.084 10 10 ADCE [N-]=[N+]=NC[C@H]1NCCCn2cccc21 1912152288 RBTXJWYDGJCDEG-MRVPVSSYSA-N 191.238 1.833 10 10 ADCE CCC[C@@H](C)C(=O)N1CC(N=[N+]=[N-])C1 1912171189 HGMSXBOTSSOZHU-SSDOTTSWSA-N 196.254 1.944 10 10 ADCE CC[C@@H](O)CN1CCC[C@H](N=[N+]=[N-])C1 1912205433 AFDRTNQQFNNZCA-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CCc1ccc([C@H](O)C(=O)C(C)=O)o1 1929134015 JCYBQLCPTGRDMK-JTQLQIEISA-N 196.202 1.034 10 10 ADCE Cn1ccnc1C=C1CCNC1(C)C 1932915114 GUSJKKRUXGFLHX-UHFFFAOYSA-N 191.278 1.575 10 10 ADCE Cc1cc([C@@H](CO)N=[N+]=[N-])cc(O)n1 1951473515 OPIDODSNNIXEFM-SSDOTTSWSA-N 194.194 1.439 10 10 ADCE CNCCCc1ccc(O)c(O)c1 1951474055 VEPQOBRMGLTOBJ-UHFFFAOYSA-N 181.235 1.250 10 10 ADCE [N-]=[N+]=NC[C@H](O)[C@H]1CCCOC1 1953414317 MKYILKSPRMWWKZ-BQBZGAKWSA-N 171.200 1.084 10 10 ADCE [N-]=[N+]=NCCCN1CCO[C@@H]2C[C@@H]21 1954053152 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180.251 1.452 10 10 ADCE CON[C@H](C)c1cc(F)ccc1O 134240431 OFYVLJFLMDABKJ-ZCFIWIBFSA-N 185.198 1.743 10 10 ADCE COC(=O)/C(=C/O)CC(F)(F)F 168144192 RAQFGWWLMDYYRA-ONEGZZNKSA-N 184.113 1.554 10 10 ADCE CNCc1cc(C)c(O)cc1O 213900545 CVSUVVUDIBLUHO-UHFFFAOYSA-N 167.208 1.126 10 10 ADCE CCOc1cc(C)cc(O)c1O 238262944 GXEUPOGUEBRVCC-UHFFFAOYSA-N 168.192 1.805 10 10 ADCE CN1C(=O)N(C)[C@@H](N=[N+]=[N-])[C@@H]1N=[N+]=[N-] 238330283 ZMXXEIWINSKMFO-QWWZWVQMSA-N 196.174 1.256 10 10 ADCE COc1cc(N)cc([C@H](C)N)c1O 238376731 MWMFPNMFRPRMJZ-YFKPBYRVSA-N 182.223 1.003 10 10 ADCE CO[C@@H]1C=C[C@H](N=[N+]=[N-])[C@@H](C)O1 238382489 ANGHUPFLXKHFII-VQVTYTSYSA-N 169.184 1.613 10 10 ADCE CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])C=CO[C@H]1C 238409105 QBTMAHFTNMULDZ-APQOSEDMSA-N 197.194 1.529 10 10 ADCE C[C@@H]1CO[C@H](c2ccccc2O)N1 258623353 RIOYJZYLNOFTLW-GMSGAONNSA-N 179.219 1.399 10 10 ADCE NC/C=C\c1ccc(O)c(O)c1F 687680189 HAZHSPBABMFDLS-UPHRSURJSA-N 183.182 1.209 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CCC[C@@H]1O 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[N-]=[N+]=N[C@@H]1C=C[C@@H]2CC(=O)O[C@H]21 219303967 HHMUXVSLVVLBLC-WYDQCIBASA-N 165.152 1.167 10 10 ADCE CCC[C@H](N)c1cccc(N)c1O 238248985 HJHTWYXLZDKXEN-QMMMGPOBSA-N 180.251 1.774 10 10 ADCE COC[C@H](N)c1c(C)cccc1O 238356362 FKFDZBMIYZTXCA-QMMMGPOBSA-N 181.235 1.347 10 10 ADCE C[C@H]1C[C@H]1C(=O)C(=O)[C@H]1C[C@H]1C 238446839 PKVQSCUXHLTLPA-SOSBWXJGSA-N 166.220 1.437 10 10 ADCE CCN[C@H]1CCNc2cccc(O)c21 257870278 SVOVAOHERWFQLI-VIFPVBQESA-N 192.262 1.858 10 10 ADCE CCc1cc(CNCN)ccc1OC 258827471 GVWBJJBMKSNTDI-UHFFFAOYSA-N 194.278 1.263 10 10 ADCE NC/C=C\c1c(Cl)ccc(O)c1O 687682404 FCYWKDKXTONEHP-UPHRSURJSA-N 199.637 1.723 10 10 ADCE [N-]=[N+]=N[C@H](O)c1ccccc1[N+](=O)[O-] 687748457 AQUDMVQWCNUGQT-SSDOTTSWSA-N 194.150 1.896 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCC[C@@H]1N 708201423 LHFHXZFWWYMMAQ-WDSKDSINSA-N 140.190 1.424 10 10 ADCE CCOc1cccc(C(C)(C)N)c1O 1535866230 JVSHWFBRIJQUIX-UHFFFAOYSA-N 195.262 1.985 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1CCC(=O)O 1885287865 ROQTZZZEAJLXBR-ZETCQYMHSA-N 198.226 1.236 10 10 ADCE NC(=S)C=Cc1ccc(O)c(O)c1 1912076773 DWYAVLYZHRVGOQ-UHFFFAOYSA-N 195.243 1.397 10 10 ADCE C[C@H](CN(C)C)N1CC[C@H](N=[N+]=[N-])C1 1912158414 XEQXGLHGYNYXFQ-BDAKNGLRSA-N 197.286 1.321 10 10 ADCE CC(C)(C)C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912159502 IPXMNNLHBOJKFO-ZETCQYMHSA-N 196.254 1.944 10 10 ADCE CNCc1ccc(N2CC(F)C2)cc1 1916996314 LVNHCWFVPRCKQE-UHFFFAOYSA-N 194.253 1.564 10 10 ADCE CSc1ncc(C[C@H](C)N)s1 1934298032 CSKSOUBLZILXLU-YFKPBYRVSA-N 188.321 1.755 10 10 ADCE Oc1ccc([C@H](O)C2CCC2)cc1O 1951357150 BUEBYIVAENVKHX-LLVKDONJSA-N 194.230 1.931 10 10 ADCE [N-]=[N+]=N[C@H]1[C@@H]2[C@H](C[C@H]1O)[C@H]1CC[C@H]2O1 1957261516 RCKRVBPANBINQE-OJEIPOMOSA-N 195.222 1.224 10 10 ADCE COc1ccc(N2CC(O)C2)cc1C 2209646667 DXJVLHOVPZYAQT-UHFFFAOYSA-N 193.246 1.185 10 10 ADCE CNCCSc1nccs1 42409049 VBDCNIWVFZOSCB-UHFFFAOYSA-N 174.294 1.455 10 10 ADCE C[C@H]1CN(C)c2ccc(CN)cc2O1 74337347 WSSKSPQWJAIEPK-QMMMGPOBSA-N 192.262 1.362 10 10 ADCE Cc1c[nH]c2ccc(CN)c(O)c12 82868977 ZSQBSZUFIYSBMN-UHFFFAOYSA-N 176.219 1.641 10 10 ADCE CNC1(c2ccc(O)c(O)c2)CC1 84334439 GBIBZNDKXOCUDR-UHFFFAOYSA-N 179.219 1.306 10 10 ADCE CCC(=O)C(=O)c1ccc(C)o1 84428331 CWBAEQPKINGRQH-UHFFFAOYSA-N 166.176 1.750 10 10 ADCE COc1ccc2c(c1)CCN2CCN 84769069 GIDYHQUZFMOLAF-UHFFFAOYSA-N 192.262 1.016 10 10 ADCE C[C@@H]1C[C@H](N=[N+]=[N-])N(C)C(=S)N1 139073100 SCRZJFJMXYOTCP-RFZPGFLSSA-N 185.256 1.221 10 10 ADCE CN1C=CC(=S)CC1 196619524 YRAGEEVTDHPKDV-UHFFFAOYSA-N 127.212 1.206 10 10 ADCE NCc1c(O)cccc1-n1ccnc1 213399170 JEAJBDBYVKDJBO-UHFFFAOYSA-N 189.218 1.037 10 10 ADCE CC(C)[C@@H](N)c1c(O)ccc(O)c1O 238167443 GNJDHFZLEFDIOG-SECBINFHSA-N 197.234 1.459 10 10 ADCE CC(C)(C)N=NC(C)(C)C(N)=O 307889299 OEMTZZFHERWJMG-UHFFFAOYSA-N 171.244 1.501 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C2CC2)C1=O 575568607 AHFPGOTXHOERPU-LURJTMIESA-N 166.184 1.060 10 10 ADCE Cn1ccc2sc([C@H](N)CN)cc21 606591902 QWWYVLMMQVMTET-ZCFIWIBFSA-N 195.291 1.198 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H]1C[C@H]2C=C[C@H]1C2 1535870754 JYZHKNNGRABJDW-JBDRJPRFSA-N 179.223 1.870 10 10 ADCE CC(=N)N(C)Cc1ccccc1O 1883215023 MWGVOKLBCGBSGJ-UHFFFAOYSA-N 178.235 1.821 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](C2(O)CC2)C1 1886998028 ARWBNBYWPLGAEO-MRVPVSSYSA-N 196.254 1.144 10 10 ADCE C[C@@H]1CN(c2ccc(N)cc2)C[C@H]1N 1888915086 NTZOUNJYMOURIZ-LDYMZIIASA-N 191.278 1.052 10 10 ADCE NC[C@@H]1C[C@H]1Nc1c(N)cccc1F 1888932999 FBIWVIVVDQXNMV-IMTBSYHQSA-N 195.241 1.167 10 10 ADCE C[C@@]1(c2cc(F)ccc2O)CCN1 1952221902 JUSXJQBLCYHFRL-JTQLQIEISA-N 181.210 1.740 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@H]1CN 1954207808 CFZUJLPOEDXTKT-QMMMGPOBSA-N 183.259 1.110 10 10 ADCE CC(C)c1ccc(O)c([C@H](N)CO)c1 72197755 PSZVEXLUHGHQAA-SNVBAGLBSA-N 195.262 1.508 10 10 ADCE [N-]=[N+]=CC(=O)c1c[nH]c2ccccc12 84449292 HDRBPQDSTNCTDH-UHFFFAOYSA-N 185.186 1.651 10 10 ADCE COc1cc(C)c2c(c1)[C@H](N)CN2C 84769088 UGLHNPFOMXLXLW-SNVBAGLBSA-N 192.262 1.453 10 10 ADCE C[C@@H](CCCO)Nc1ccccc1N 87344826 ZGZYNUNDXLBSEJ-VIFPVBQESA-N 194.278 1.842 10 10 ADCE Cc1c(Cl)ccc(O)c1CNO 214505136 DXVDYXRCFFUKOD-UHFFFAOYSA-N 187.626 1.833 10 10 ADCE [C-]#[N+]Oc1ccc(N)cc1 216213992 FQCQWZJTWHRUQC-UHFFFAOYSA-N 134.138 1.482 10 10 ADCE CC(=O)NCC(C)(C)CN=[N+]=[N-] 231461655 ITRVWILYJZVOEH-UHFFFAOYSA-N 170.216 1.459 10 10 ADCE Cc1ccc([C@@H](N)CF)c(O)c1C 238478612 ANTJQJDFPVCAGP-VIFPVBQESA-N 183.226 1.978 10 10 ADCE [N-]=[N+]=NC[C@@H](Cc1ccccc1)NO 238712186 XILZTGSTCWJXRG-SECBINFHSA-N 192.222 1.887 10 10 ADCE NC1(Cc2c(F)ccc(O)c2O)CC1 257958130 BMAOWIVCOIQQBK-UHFFFAOYSA-N 197.209 1.271 10 10 ADCE CC(C)[C@H](N)[C@H](N)c1ccccc1O 306628954 DCHRFQSPTKGMIJ-WDEREUQCSA-N 194.278 1.375 10 10 ADCE C[C@](O)(CN=[N+]=[N-])C(F)(F)F 307722855 ZHJOEHOHIJGYMG-VKHMYHEASA-N 169.106 1.610 10 10 ADCE CC[C@@H]1CN(CCN=[N+]=[N-])[C@@H](C)CO1 403745193 AFGWESZDUKIDEI-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE C[C@@H](N)CCOc1ccc(N)cc1 1883785996 IDULXJIXPVZGFK-MRVPVSSYSA-N 180.251 1.385 10 10 ADCE Cc1nc(C=CCCN)n2c1CCC2 1885046224 GSBRRCPZMIOXOQ-UHFFFAOYSA-N 191.278 1.500 10 10 ADCE Nc1ccc(CO[C@H]2CC[C@H]2O)cc1 1924897164 RWRJEJAFUCUAJT-MNOVXSKESA-N 193.246 1.309 10 10 ADCE C[C@@H]1OCC[C@@]1(N)c1ccccc1O 1928466126 BKUKCYNESXDJJN-KWQFWETISA-N 193.246 1.355 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H](C)[C@@H](C)C1 1929148318 PXAMQZSSLQRMNL-FYBVGQRMSA-N 198.262 1.332 10 10 ADCE CSC[C@@H](N)c1ccc(O)cc1O 1952245495 QRHMDIVQCOLNJC-MRVPVSSYSA-N 199.275 1.461 10 10 ADCE NCC=Cc1cccc(O)c1O 2055876211 WVXVQDNKHIEBAF-UHFFFAOYSA-N 165.192 1.070 10 10 ADCE CC(=O)C(=O)c1cc(C)ccc1O 39213928 DORCMKPUTOXFDX-UHFFFAOYSA-N 178.187 1.472 10 10 ADCE Cc1cc(O)c(O)c(C=O)c1 39334069 RIDCCIAYVJKQLL-UHFFFAOYSA-N 152.149 1.219 10 10 ADCE COc1cc(OC)c(N(C)C)cc1N 83227672 WNRUKQIKMYECTG-UHFFFAOYSA-N 196.250 1.352 10 10 ADCE Cc1cc(C(=O)O)cc([C@H](C)N)c1O 95713213 NFLYWDALPDWDEU-LURJTMIESA-N 195.218 1.419 10 10 ADCE Cc1c(F)ccc(O)c1[C@H](N)CCO 104493902 KBKPCSQZXQBOPY-MRVPVSSYSA-N 199.225 1.222 10 10 ADCE CN[C@H](C)c1cc(O)c(O)cc1O 104524576 WLHKDKVWINRXMB-RXMQYKEDSA-N 183.207 1.084 10 10 ADCE CCCNCc1cc(O)c(C)cc1O 143487251 FFKVLJPJQUBXKA-UHFFFAOYSA-N 195.262 1.906 10 10 ADCE COc1cccc([C@@H](N)CF)c1O 238389224 VJBIJTGOCIVMTA-ZETCQYMHSA-N 185.198 1.370 10 10 ADCE C[C@]12CC=CC[C@H]1C(=O)C(=O)CC2 238420374 RARFSVBUSMPZGO-GZMMTYOYSA-N 178.231 1.891 10 10 ADCE N[C@H]1CCC[C@@H]1c1ccc(O)c(O)c1 238567765 LYHCKAGTEYIZJA-BDAKNGLRSA-N 193.246 1.693 10 10 ADCE CN(N=NC(N)=S)c1ccccc1 307990775 PLYAUYVTGBBIAU-UHFFFAOYSA-N 194.263 1.734 10 10 ADCE CC[C@]1(CO)CC[C@H](CN=[N+]=[N-])OC1 689183380 HASLERMDBMCOEF-RKDXNWHRSA-N 199.254 1.864 10 10 ADCE CC(C)(CN)Nc1ccc(N)cc1 1883134853 ZLUTWUGZPGVTML-UHFFFAOYSA-N 179.267 1.418 10 10 ADCE CC(C)[C@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 1898392283 GZOBDMVBFWUQFG-HTQZYQBOSA-N 196.254 1.705 10 10 ADCE Cc1nc[nH]c1CN(C)CCN=[N+]=[N-] 1912146853 FAYCATBGDWKINX-UHFFFAOYSA-N 194.242 1.460 10 10 ADCE CO[C@@H](C)CN1CCC(N=[N+]=[N-])CC1 1912171016 FPWHTNLHPWKDKZ-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE C[C@@H](O)C=Cc1ccc(O)c(O)c1 1927737601 IETUJSYZCNZPKR-SSDOTTSWSA-N 180.203 1.492 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@@H](C)[C@H]1C 1929187962 PHPDNRAZQXHXOP-XLDPMVHQSA-N 198.262 1.332 10 10 ADCE CC(C)NCc1cc(O)cs1 1934716781 GRVQGPOQKFXSKQ-UHFFFAOYSA-N 171.265 1.952 10 10 ADCE Oc1cc(S)cc(O)c1O 1951474270 YLPCJPXOFGJGKV-UHFFFAOYSA-N 158.178 1.092 10 10 ADCE CNC[C@H](C)CN=[N+]=[N-] 1953146976 MPNVCVLNDRAIGV-YFKPBYRVSA-N 128.179 1.152 10 10 ADCE C[C@H]1CCN(CCCN=[N+]=[N-])C[C@H]1N 1957247400 PVLJYTKVJVCBBC-DTWKUNHWSA-N 197.286 1.356 10 10 ADCE CC[C@@H](N)Cc1ccc(O)c(O)c1O 33861516 LXDBNMYXFKPSSE-SSDOTTSWSA-N 197.234 1.083 10 10 ADCE C[C@H](N=[N+]=[N-])[C@H]1CCC(=O)O1 39147527 VBLXLEABIXEVNH-CRCLSJGQSA-N 155.157 1.391 10 10 ADCE CC(C)(CO)NCc1ccc(N)cc1 83342157 OLJHNUUNMYBIHW-UHFFFAOYSA-N 194.278 1.129 10 10 ADCE CC(=O)[C@@H](NC(=O)CN=[N+]=[N-])C(C)C 104702751 NMENWVPFKYAZJY-QMMMGPOBSA-N 198.226 1.027 10 10 ADCE CCC[C@@H](O)CNc1ccc(N)cc1 134334633 ASURGRCMBSHPTI-LLVKDONJSA-N 194.278 1.842 10 10 ADCE CN[C@@H](CO)c1ccc(C)c(C)c1O 211763557 PEGRXUSRLXMGDX-JTQLQIEISA-N 195.262 1.262 10 10 ADCE CC[C@H](N)c1ccc(O)c(F)c1O 238316897 WILCGBSOCKGZJN-LURJTMIESA-N 185.198 1.647 10 10 ADCE Nc1ccc2scc(O)c2c1O 307022000 DLTFASKOLMXHCJ-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)/C=C/C=C\CCO 308348313 RJPNOIPVZWNPPW-CYATYOFTSA-N 197.238 1.543 10 10 ADCE NC(=O)N=Nc1cccc([N+](=O)[O-])c1 687727725 JRWUJACOWNQKIQ-UHFFFAOYSA-N 194.150 1.757 10 10 ADCE [N-]=[N+]=N[C@@H]1C[C@H](N)C12CCOCC2 719001002 ZBAIIDIUCNWZJU-NKWVEPMBSA-N 182.227 1.193 10 10 ADCE Oc1ccc(-c2cn[nH]c2)c(O)c1O 1535830537 QPOFUBQQZIWADR-UHFFFAOYSA-N 192.174 1.194 10 10 ADCE [N-]=[N+]=NCC1CC2(CCN2)C1 1880255388 JPROWMFHQVPNDW-UHFFFAOYSA-N 152.201 1.439 10 10 ADCE CC(C)C[C@H]1CN[C@@H](CN=[N+]=[N-])OC1 1884861568 GXMHCFRNXYZMNL-DTWKUNHWSA-N 198.270 1.905 10 10 ADCE CC1(Nc2ccc(N)cc2)CC(O)C1 1885929862 FLWYTVLTKXXABQ-UHFFFAOYSA-N 192.262 1.594 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@]1(CN)C2 1889427225 AMLVJNVCBMTBPA-DTORHVGOSA-N 195.270 1.110 10 10 ADCE CN1CCN(CCCCN=[N+]=[N-])CC1 1912157057 WERKAZISNUJUMH-UHFFFAOYSA-N 197.286 1.324 10 10 ADCE CC(C)(C)[C@@H](CN)N=[N+]=[N-] 1953171270 FBJZGDLLJANTOV-RXMQYKEDSA-N 142.206 1.670 10 10 ADCE C[C@H]1C[C@H](Oc2ccc(N)cc2)CO1 1956932433 UCYPHLXFBXKBLR-KWQFWETISA-N 193.246 1.825 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCCCN1 1957244311 OYAWOHVXHBUQQI-VIFPVBQESA-N 197.286 1.371 10 10 ADCE C[C@H](N)C=Cc1cccc(O)c1O 2055847413 GSEDZHCMFPFPDN-ZETCQYMHSA-N 179.219 1.458 10 10 ADCE CC(C)[C@H](NN)c1c(O)cccc1F 2080480585 YJVISKFNZPCMQP-JTQLQIEISA-N 198.241 1.692 10 10 ADCE CNCc1cc(O)c(C)s1 2208923498 YHASMBIPGQNIGX-UHFFFAOYSA-N 157.238 1.482 10 10 ADCE COc1ccc(OC)c(O)c1O 38338506 VGULQRVGQOWFOY-UHFFFAOYSA-N 170.164 1.115 10 10 ADCE biogenic,in-vitro CN(CCCCO)c1ccc(N)cc1 59164626 LIMTXVOVGJNQBV-UHFFFAOYSA-N 194.278 1.478 10 10 ADCE CC[C@H](O)N(C)c1ccc(O)c(O)c1 59957727 NFBHKJSKPXWGKJ-JTQLQIEISA-N 197.234 1.262 10 10 ADCE N[C@@H](CC1CC1)c1ccc(O)cc1O 95672173 TXFVVUTZGIJMSD-JTQLQIEISA-N 193.246 1.898 10 10 ADCE CN[C@@H](CCO)c1c(C)cccc1O 107492845 FQVFWEIHVZPPAV-VIFPVBQESA-N 195.262 1.344 10 10 ADCE CN[C@@H](C)Cc1cccc(O)c1O 196516530 IEWVRBKULFCLTN-ZETCQYMHSA-N 181.235 1.248 10 10 ADCE CCOC(=O)C(N=[N+]=[N-])N=[N+]=[N-] 223071632 IMDWSXSZICOMPS-UHFFFAOYSA-N 170.132 1.496 10 10 ADCE CC(C)NC(=N)c1ccc(O)c(O)c1 232640618 QLUOBDBDEHDQSK-UHFFFAOYSA-N 194.234 1.421 10 10 ADCE COC(=O)[C@@]1(CN=[N+]=[N-])CCN=N1 238395786 UYZDCOVWASMUFQ-LURJTMIESA-N 183.171 1.064 10 10 ADCE [N-]=[N+]=N[C@H](O)C1CCC1 238696971 KDFLUZPBJYLUCI-RXMQYKEDSA-N 127.147 1.415 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@H]2C[C@@H]3OC[C@@H]1[C@H]3O2 306369062 BHJZBOIKRUZJSL-YOWKYNACSA-N 181.195 1.099 10 10 ADCE CNNCc1cc(Cl)ccc1O 708124850 INYAMGFPEOFCJG-UHFFFAOYSA-N 186.642 1.270 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1CO[C@H]2C[C@@H]1C2 1886076293 DBOOPTDGGPNOMN-HRDYMLBCSA-N 196.254 1.406 10 10 ADCE C[C@@H]1CC[C@]2(CN[C@H](CN=[N+]=[N-])O2)C1 1901184126 LENXNEGRZYUHKD-HRDYMLBCSA-N 196.254 1.801 10 10 ADCE CC[C@@H](C(=O)O)N1CC[C@H](N=[N+]=[N-])C1 1912163533 KTHNTRNBPFVGNG-BQBZGAKWSA-N 198.226 1.234 10 10 ADCE N[C@H](c1ncc[nH]1)c1ccccc1O 1928466275 CHMOJIKVZUTRTQ-VIFPVBQESA-N 189.218 1.163 10 10 ADCE CS[C@H](CN)c1cccc(O)c1O 1952241023 AKGWJFYNIWWYJR-MRVPVSSYSA-N 199.275 1.461 10 10 ADCE C[C@H]1CC(=O)N1CCCCN=[N+]=[N-] 1954382714 NNUVTULXTBKNHV-ZETCQYMHSA-N 182.227 1.698 10 10 ADCE [N-]=[N+]=NCCCN(CCN)CC1CC1 1957244877 SYPFRTMMZGWPJI-UHFFFAOYSA-N 197.286 1.358 10 10 ADCE CNCC(C)(C)N(C)CCCN=[N+]=[N-] 2242175340 RQWPPLYGLJMKFK-UHFFFAOYSA-N 199.302 1.617 10 10 ADCE CSc1ncc(C(=N)N)s1 2242574751 YXZOPUFUTYKIBC-UHFFFAOYSA-N 173.266 1.149 10 10 ADCE Cc1ccc(O)c(C[N+](C)(C)C)c1 33640014 DBNHFFAISYUHET-UHFFFAOYSA-O 180.271 1.907 10 10 ADCE CN(C)[C@H]1CCCN(CCN=[N+]=[N-])C1 84420439 DSWVSWAHPCEYIM-VIFPVBQESA-N 197.286 1.323 10 10 ADCE C[C@@H](COc1ccc(N)cc1)N(C)C 113278401 ZIUOGXYQWQLNQL-VIFPVBQESA-N 194.278 1.598 10 10 ADCE CNCc1cc(O)c(C)cc1O 143487922 FKBHONRHNBZNGN-UHFFFAOYSA-N 167.208 1.126 10 10 ADCE CO[C@@H](N=[N+]=[N-])C(C)(C)CO 207476502 URYLFEGZDAOWSO-RXMQYKEDSA-N 159.189 1.288 10 10 ADCE CNCC[C@@H](C)N=[N+]=[N-] 216863875 UPYBLNIPOQPTCX-RXMQYKEDSA-N 128.179 1.295 10 10 ADCE CC(=O)N[C@@H](N=[N+]=[N-])C(F)(F)F 238112345 HGYZVOCHLJBSOE-VKHMYHEASA-N 182.105 1.321 10 10 ADCE CN(C)Cc1ccc2c(c1O)CCC2 238335114 HYPNTKGCFPLHIN-UHFFFAOYSA-N 191.274 1.943 10 10 ADCE O=C1CC[C@H](c2ccc(O)c(O)c2)N1 238729263 YDANPHWLLVZWLJ-SSDOTTSWSA-N 193.202 1.049 10 10 ADCE [N-]=[N+]=N[C@@H]1[C@H]2CC[C@H]1[C@@H](O)C2 306283211 OUQPQWMTKYWLBM-ZTYPAOSTSA-N 153.185 1.456 10 10 ADCE COC(=O)/C=C(\O)[C@H](C)CCN=[N+]=[N-] 381645470 VIZARGKCWQAWPS-XOQWBGJWSA-N 199.210 1.938 10 10 ADCE Cc1noc(C)c1N=NN(C)C 396127096 HUXXDVJQGLIAOG-UHFFFAOYSA-N 168.200 1.852 10 10 ADCE [N-]=[N+]=NC[C@@H]1[C@@H]2CC[C@H](N)[C@H]21 669378851 QDHGWEFEZKAVCB-BNHYGAARSA-N 152.201 1.280 10 10 ADCE C/C(=C/C=C/N=[N+]=[N-])C(=O)O 687748471 JMRMKCWBAGOYFY-HZDAAVBUSA-N 153.141 1.841 10 10 ADCE CO[C@]1(C)C[C@H]1Nc1ccc(N)cc1 694358991 FORLDDVUDZNBFS-GHMZBOCLSA-N 192.262 1.858 10 10 ADCE CO[C@H](CN=[N+]=[N-])[C@@H]1CCOC1 1912172616 GJDBEEYVMZHVKB-RNFRBKRXSA-N 171.200 1.348 10 10 ADCE N[C@@H](COC1CC1)c1ccccc1O 1928481179 SBCIGAULYFAHTK-JTQLQIEISA-N 193.246 1.571 10 10 ADCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2CCC[C@@H]21 1929223199 CYIPWMQHUQLTKB-QXEWZRGKSA-N 196.246 1.086 10 10 ADCE COc1cc(CN=[N+]=[N-])cc(O)n1 1951605447 LLUSIMAMYPWTAB-UHFFFAOYSA-N 180.167 1.606 10 10 ADCE O=C1CN[C@H](c2cccc(F)c2O)C1 1951964882 HKECGVOLTBZMHH-VIFPVBQESA-N 195.193 1.135 10 10 ADCE COCc1ccoc1C(=O)C(C)=O 1952844147 CNIFDDJBEPBHJB-UHFFFAOYSA-N 182.175 1.198 10 10 ADCE C[C@@H]1CC[C@H]1C(=O)N(C)CCN=[N+]=[N-] 2209766072 CBLRXVBLTXERQU-HTQZYQBOSA-N 196.254 1.801 10 10 ADCE Oc1ccccc1[C@@H]1NCCS1 86543 XTCNCKCBECUEBH-SECBINFHSA-N 181.260 1.727 10 10 ADCE COCCN1CC[C@H](N=[N+]=[N-])C1 39147755 LCNOXVLVBAGBRE-ZETCQYMHSA-N 170.216 1.017 10 10 ADCE C[C@@H](N)CCSc1nccs1 81889719 MYMMPCFOMQKHNE-ZCFIWIBFSA-N 188.321 1.973 10 10 ADCE Cn1cc2c3c(cccc31)CCNC2 82392078 UXQMZUNDXKDAMN-UHFFFAOYSA-N 186.258 1.824 10 10 ADCE C[C@H](N)Cc1nc2c([nH]1)CCSC2 107238278 ZOHOSNMNUMVFQX-LURJTMIESA-N 197.307 1.089 10 10 ADCE Oc1ccc([C@H]2CCCN2)c(O)c1F 214874367 JSBXIWYJJKQLED-SSDOTTSWSA-N 197.209 1.661 10 10 ADCE CC(F)(F)C[C@H](N=[N+]=[N-])C(=O)O 216132316 LKRFIDZVJNEZBG-VKHMYHEASA-N 179.126 1.795 10 10 ADCE CC[C@@H](N)c1c(O)cc(O)cc1F 238269144 OAZKTGTUBYRDTR-SSDOTTSWSA-N 185.198 1.647 10 10 ADCE CC[S@](=O)c1cccc(O)c1O 238271652 NVMVTRYGKXZGSW-LBPRGKRZSA-N 186.232 1.225 10 10 ADCE CO[C@@H](CN=[N+]=[N-])OCC(C)C 238380835 SRPYRMNTDMYECI-SSDOTTSWSA-N 173.216 1.942 10 10 ADCE C[C@H](CN=[N+]=[N-])CN(C)C 238415540 CIIDPNANUWFGRB-ZCFIWIBFSA-N 142.206 1.494 10 10 ADCE [N-]=[N+]=NCC(F)(F)c1ncccn1 238547404 LEVJJGAQSPXFNI-UHFFFAOYSA-N 185.137 1.879 10 10 ADCE O=C1CC2(CCCCC2)CC1=O 238579231 BEOKEGHWWGMSCU-UHFFFAOYSA-N 166.220 1.869 10 10 ADCE O=Cc1sc2c(c1O)C(=O)CCO2 238716280 ADQNACZLOFCAKB-UHFFFAOYSA-N 198.199 1.231 10 10 ADCE C[C@@H](CO)c1c(F)ccc(O)c1O 258011472 HKWBQSKIWRCKTF-YFKPBYRVSA-N 186.182 1.333 10 10 ADCE N[C@H]1CC(=O)c2cc(F)cc(O)c21 713749466 OUDWPYBRGAGZMA-LURJTMIESA-N 181.166 1.118 10 10 ADCE CO[C@@H]1CC[C@H]1N(C)CCN=[N+]=[N-] 724143718 YMJQFIUGJBYJQN-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE COc1ccc(N(C)CCN)c(C)c1 1143724099 MVXWHKDHSNSRON-UHFFFAOYSA-N 194.278 1.399 10 10 ADCE NC1(CSc2nccs2)CC1 1880372048 SQFDBICUXHPMBR-UHFFFAOYSA-N 186.305 1.727 10 10 ADCE CC(C)[C@H](CN)Nc1ccc(N)cc1 1888904881 GZJIHYDLVWXUFK-NSHDSACASA-N 193.294 1.664 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC(C)(C)C1 1929196115 LLUXILCXLHLRPG-JTQLQIEISA-N 184.235 1.086 10 10 ADCE Nc1ccc(CNOCCF)cc1 1929717078 UEOIBSZWCYTRRA-UHFFFAOYSA-N 184.214 1.260 10 10 ADCE Cc1cnc(SCCO)s1 1930675856 QNMBQDQATRAGIN-UHFFFAOYSA-N 175.278 1.536 10 10 ADCE OCc1ccc(N2CC3CC2C3)cc1 1931628679 XVXQUZPVACAJKK-UHFFFAOYSA-N 189.258 1.778 10 10 ADCE C=CC=CCC(=O)C(C)=O 1951521819 MJGKJRAGPONIKG-UHFFFAOYSA-N 138.166 1.277 10 10 ADCE Cc1cccc([C@@H]2C[C@H](O)CN2)c1O 1952071157 OZWILVPOYWWFMC-WPRPVWTQSA-N 193.246 1.096 10 10 ADCE CNCC[C@H](C)N(C)CCN=[N+]=[N-] 1954207843 CRFBBZKWZVEJNQ-QMMMGPOBSA-N 185.275 1.227 10 10 ADCE Nc1ccccc1N[C@@H]1CC[C@H]1O 1954547027 MYDKKLAVVRXJCX-NXEZZACHSA-N 178.235 1.204 10 10 ADCE C[C@H]1CC[C@@H](CN)CN1CCN=[N+]=[N-] 1957242534 BEFHYVHRLYTYFE-IUCAKERBSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CC[C@H]2CCO2)C1 2242559436 LAEFILPGKAZFIR-BDAKNGLRSA-N 196.254 1.550 10 10 ADCE N=C1C=Cc2ccccc2C1=O 33986149 AVEKJUXTRXCSFL-UHFFFAOYSA-N 157.172 1.916 10 10 ADCE CCC(=O)COc1ccc(N)cc1 40353671 QRCNFJZLKINVOI-UHFFFAOYSA-N 179.219 1.627 10 10 ADCE COc1ccc([C@@H]2CCCN2)c(O)c1 40442618 ZKIPVWCABMIZDR-JTQLQIEISA-N 193.246 1.825 10 10 ADCE CC(C)=CC(=O)NCCN=[N+]=[N-] 42012528 OIABCOSAMZEEQL-UHFFFAOYSA-N 168.200 1.379 10 10 ADCE CC(C)CCC(=O)NCCN=[N+]=[N-] 42012588 CRFTXPZSTDJCDE-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE Nc1ccccc1N[C@H]1CCCOC1 71012056 JAAPPHGOBPFHLJ-VIFPVBQESA-N 192.262 1.860 10 10 ADCE CC[C@@H](CO)NCc1ccc(N)cc1 83342154 GFQUPJFEBDIORM-NSHDSACASA-N 194.278 1.129 10 10 ADCE CC[C@@H](C)/C=C1/C(=O)NN=C1C 90413802 SBWYEYVGWHVPHX-URNIURQGSA-N 166.224 1.465 10 10 ADCE CCc1cccc([C@H](N)[C@@H](C)O)c1O 95717128 JYBOZYVUSJFPJW-GMSGAONNSA-N 195.262 1.335 10 10 ADCE COC(=O)/C(=C/O)c1cccc(F)c1 144830745 FVDAKYMGTKUXFM-RMKNXTFCSA-N 196.177 1.898 10 10 ADCE CCOC(=O)[C@@H](CN=[N+]=[N-])N=[N+]=[N-] 196701904 ODONWXKKSUJTRY-SCSAIBSYSA-N 184.159 1.539 10 10 ADCE Oc1cccc([C@H]2CO2)c1O 201843308 KQSOTJHIJCIIJR-SSDOTTSWSA-N 152.149 1.169 10 10 ADCE O=C(CCO)c1sccc1O 205156311 QVNBKWKDHFKUFD-UHFFFAOYSA-N 172.205 1.019 10 10 ADCE CO[C@]1(C)CCCN(CCN=[N+]=[N-])C1 230282257 USNQXFDWYMCMSX-SECBINFHSA-N 198.270 1.798 10 10 ADCE CCCC[C@H](O)C/N=N/C 238234360 FAQVANGQCHLALH-MXMZYCHESA-N 144.218 1.620 10 10 ADCE C[C@]1(c2ccccc2O)CCN1 258345017 VQNYRSDWJFEOJW-SNVBAGLBSA-N 163.220 1.601 10 10 ADCE C=CC(=O)N1CC[C@H](CN=[N+]=[N-])C1 885377016 QCNJVUREXDSNND-SSDOTTSWSA-N 180.211 1.331 10 10 ADCE [N-]=[N+]=NCCCCN1C[C@@H]2COC[C@@H]21 1886759289 QGVMMWPRLPISTQ-BDAKNGLRSA-N 196.254 1.408 10 10 ADCE C[C@@]1(F)CCN(CCN=[N+]=[N-])C1 1912154631 MPYJRTYKDYRYKN-SSDOTTSWSA-N 172.207 1.731 10 10 ADCE NC1(c2ccccc2O)C[C@@H]2C[C@H]2C1 1932810265 PPBDMVHBTAUIGD-IUCAKERBSA-N 189.258 1.976 10 10 ADCE CC1(CO)CN(CCCN=[N+]=[N-])C1 1935348951 TVPUZDRYTIXDJC-UHFFFAOYSA-N 184.243 1.001 10 10 ADCE C[C@H](C1CNC1)N(C)CCCN=[N+]=[N-] 1957245538 YHPMOBLSXJVZOE-MRVPVSSYSA-N 197.286 1.227 10 10 ADCE CCC[C@H]1CNCCN1CCN=[N+]=[N-] 2210071790 JYYHYHJTWSCFPU-VIFPVBQESA-N 197.286 1.371 10 10 ADCE COc1cc2c(c(O)c1O)[C@H](C)OC2 13412748 HKKIPBZGPPCEMB-YFKPBYRVSA-N 196.202 1.698 10 10 ADCE Nc1c(O)c(O)cc2ccccc12 62718705 VRRRFZAFEQBWAS-UHFFFAOYSA-N 175.187 1.833 10 10 ADCE CN[C@@H](C)CSc1nccs1 81889384 NFFWWSPFHCMDJG-LURJTMIESA-N 188.321 1.843 10 10 ADCE C[C@H](N)c1cc(C(=O)O)cc(F)c1O 95714846 YCMNFENGCJMUIX-BYPYZUCNSA-N 199.181 1.249 10 10 ADCE COC(=O)/N=N/C(C)=C/C(=O)O 96330776 UYCOELYXFXWTIH-DYWGDJMRSA-N 172.140 1.193 10 10 ADCE C[C@H](C(=O)O)c1cccc(O)c1O 113943920 CCMSNQOGKCTUKR-YFKPBYRVSA-N 182.175 1.286 10 10 ADCE O[C@@H]1Cc2cc3c(cc21)OCO3 196219180 QBNGKWQQHKNOGS-SSDOTTSWSA-N 164.160 1.005 10 10 ADCE CC(=O)C(=O)c1cc2ccccc2[nH]1 205457379 PHWHRBDNYVXJGV-UHFFFAOYSA-N 187.198 1.940 10 10 ADCE [N-]=[N+]=N[C@H]1CCOC[C@@H]1N=[N+]=[N-] 213947121 IVNKXZGNWDWYDV-WHFBIAKZSA-N 168.160 1.765 10 10 ADCE CCN/C(C)=C(/C(C)=S)[N+](=O)[O-] 216553250 IBRNIACPGZNGHH-ALCCZGGFSA-N 188.252 1.494 10 10 ADCE CO[C@@H]1C[C@@H](OC)[C@@H](N=[N+]=[N-])CO1 221259186 IWSQMDHSWKEOKV-XVMARJQXSA-N 187.199 1.073 10 10 ADCE C[C@@H](CO)Sc1ncc(N)s1 226769170 RYCGKJJDAPALHZ-BYPYZUCNSA-N 190.293 1.198 10 10 ADCE Nc1ccc2scc(O)c2c1CO 306566517 GHQJCJJXMNUCRJ-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE Nc1cc(F)cc([C@@H]2CCN2)c1O 306989242 RWUJJSQEIUHNFB-QMMMGPOBSA-N 182.198 1.148 10 10 ADCE [N-]=[N+]=NC[C@@H]1OCC[C@@]12CCCOC2 757214188 VJVBOGXWDOHCJJ-DTWKUNHWSA-N 197.238 1.882 10 10 ADCE CC(C)n1nccc1[C@@H](CO)N=[N+]=[N-] 1535809572 ICMZHRZRWVGFFH-SSDOTTSWSA-N 195.226 1.808 10 10 ADCE [N-]=[N+]=N[C@H](CO)C(F)(F)C(F)F 1536096368 QTDITVVNKBFYAT-UWTATZPHSA-N 187.096 1.558 10 10 ADCE CCCOC(=O)N1CC[C@H](N=[N+]=[N-])C1 1912184217 COBWLOPOUMARCU-ZETCQYMHSA-N 198.226 1.918 10 10 ADCE C[C@H]1CCN[C@H](CN=[N+]=[N-])O1 1912189502 WPFKMANWQJVTOW-WDSKDSINSA-N 156.189 1.021 10 10 ADCE CC[C@](C)(N)c1ccccc1O 59162876 ULDKPVDKWPTREX-JTQLQIEISA-N 165.236 1.976 10 10 ADCE CN(C)Cc1c(O)ccc2cc[nH]c12 60176315 GJHSYBMWKRONMI-UHFFFAOYSA-N 190.246 1.935 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccco1 108433156 PZNJRFVTZJDNCH-UHFFFAOYSA-N 151.125 1.773 10 10 ADCE C[C@H](CN)c1cccc(O)c1O 114275522 SUQTUQIJLDLCFV-ZCFIWIBFSA-N 167.208 1.160 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1nccs1 125839299 QFOXYRRORMBUCC-BYPYZUCNSA-N 170.197 1.487 10 10 ADCE CC(=O)[C@@H](C)CCN=[N+]=[N-] 196321393 PARVJTZLRZEJNL-YFKPBYRVSA-N 141.174 1.912 10 10 ADCE O=C1C[C@H]2C=C[C@@H](C1=O)C21CC1 211152638 OSNCXFBKHTYFSZ-RQJHMYQMSA-N 162.188 1.111 10 10 ADCE Nc1ccc(N2C[C@H]3C[C@@H]3C2=O)cc1 213343217 PYPDORSLKLMUJR-XCBNKYQSSA-N 188.230 1.252 10 10 ADCE CC1(C)C[C@@H]1C(=O)NCCCN=[N+]=[N-] 232827602 DMMQPTZERXMETM-SSDOTTSWSA-N 196.254 1.849 10 10 ADCE C[C@H](NO)c1c(O)cccc1O 235512223 GDBXLILJZMHGAC-YFKPBYRVSA-N 169.180 1.138 10 10 ADCE CCO[C@@H](C[C@H](C)O)N=[N+]=[N-] 238259309 AQKPBRNQFALDNL-WDSKDSINSA-N 159.189 1.430 10 10 ADCE [N-]=[N+]=NC1=C(CO)CCC1 238700160 KPAQYSFDBVGDFF-UHFFFAOYSA-N 139.158 1.727 10 10 ADCE NCC1(c2ccc(O)c(O)c2)CC1 257830471 JOIDNPVCEYTXSE-UHFFFAOYSA-N 179.219 1.088 10 10 ADCE NC(=O)N=Nc1ccccc1C(=O)O 308280384 XPJRKTPUCZXQKR-UHFFFAOYSA-N 193.162 1.547 10 10 ADCE CN1CC[C@@H](CN=[N+]=[N-])C1 575562997 PRZGYYNAJXIVFO-LURJTMIESA-N 140.190 1.248 10 10 ADCE Cc1cc(O)c(O)c(CC(=O)O)c1 605690035 NGPLMVGCZMAAPG-UHFFFAOYSA-N 182.175 1.033 10 10 ADCE CNC1(c2ccc(O)cc2O)CC1 1535736056 FVPJOPWZWNANED-UHFFFAOYSA-N 179.219 1.306 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cncc(F)c1 1535827887 NJGJFHKYEYXRSN-SSDOTTSWSA-N 182.158 1.564 10 10 ADCE [N-]=[N+]=NCc1cc(O)n2nccc2n1 1772717451 CUKUMJOLOKDWOZ-UHFFFAOYSA-N 190.166 1.245 10 10 ADCE CN(c1ccc(N)cc1)C1(CO)CC1 1886374391 KQZONYFFNCFAME-UHFFFAOYSA-N 192.262 1.230 10 10 ADCE NCC1(Nc2ccc(N)cc2)CCC1 1888914511 CTCCASBMVDROPX-UHFFFAOYSA-N 191.278 1.562 10 10 ADCE NC[C@H](c1cccc(O)c1O)C1CC1 1951647379 FQSNJCNJIRRHOI-VIFPVBQESA-N 193.246 1.550 10 10 ADCE CSc1cc(O)c(O)cc1N 2060283825 QKNRKTMGTUOTAO-UHFFFAOYSA-N 171.221 1.402 10 10 ADCE O=[N+]([O-])c1ccc2ccc[n+]([O-])c2c1 5845748 MUOCQTVDQHFBEA-UHFFFAOYSA-N 190.158 1.381 10 10 ADCE in-vitro [N-]=[N+]=N[C@H]1CCCC[C@H]1OCC(=O)O 34611341 GXSZDACGCYZNDB-NKWVEPMBSA-N 199.210 1.709 10 10 ADCE Cc1cc(N)c(O)c([C@H]2CCCN2)c1 72201642 ATWDLRYULAUXNT-SNVBAGLBSA-N 192.262 1.707 10 10 ADCE CCC(C)(C)C(=O)C(C)=O 82036092 QQRJRGCGMYSFCC-UHFFFAOYSA-N 142.198 1.581 10 10 ADCE O=C(O)c1sc2c(c1O)CCC2 84227920 LJXJBHWUDXXUFV-UHFFFAOYSA-N 184.216 1.641 10 10 ADCE Cc1ccc([C@@H](N)CCCO)c(O)c1 95672865 KZDUGGMKDYZHDK-JTQLQIEISA-N 195.262 1.473 10 10 ADCE CCC[C@H](N)c1cc(O)c(O)c(O)c1 104487316 SHGZLTCYRHQBIT-ZETCQYMHSA-N 197.234 1.603 10 10 ADCE Nc1sccc1C(=O)N1CCCC1 104858705 XKMGDDDUAMFODD-UHFFFAOYSA-N 196.275 1.566 10 10 ADCE C[C@H](NC(=O)CN=[N+]=[N-])C(C)(C)C 215414209 VJEIMTNDNVJUEV-LURJTMIESA-N 184.243 1.848 10 10 ADCE CCC[C@H](N)c1c(O)ccc(O)c1O 238242585 KTQGJMIJHSGODV-LURJTMIESA-N 197.234 1.603 10 10 ADCE CCOC(=O)[C@]1(N=[N+]=[N-])C[C@@H]1C 238287506 QRTASCNDCUSNJD-FSPLSTOPSA-N 169.184 1.638 10 10 ADCE CONC(=O)[C@@H]1CC=C[C@H](N=[N+]=[N-])C1 238354328 VIENWOYZUKNAOB-RQJHMYQMSA-N 196.210 1.309 10 10 ADCE COc1c(O)ccc(O)c1[C@H](C)N 238435409 QURLPYJHOFSZFG-YFKPBYRVSA-N 183.207 1.126 10 10 ADCE Cc1ccc2c(c1O)[C@@H](N)CCO2 238500838 FWQVCQJNMYKUFX-ZETCQYMHSA-N 179.219 1.483 10 10 ADCE Nc1cc(O)c2c(c1)CCC[C@@H]2N 238587916 MYQGVVPEROKLNQ-QMMMGPOBSA-N 178.235 1.311 10 10 ADCE O=C(O)[C@@H]1C[C@H]1c1cccc(O)c1O 238672603 YEYCXMGSCNLTNY-NKWVEPMBSA-N 194.186 1.286 10 10 ADCE NCc1cc(CN2CCC2)ccc1O 257868232 SOFQZJHFLLNSQT-UHFFFAOYSA-N 192.262 1.057 10 10 ADCE Nc1cc(CO)c2c(O)csc2c1 307406148 GCNSONQZIJCVIJ-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE CCN1CCCN(CCN=[N+]=[N-])CC1 307877692 VLJPIVBXTKYCMM-UHFFFAOYSA-N 197.286 1.324 10 10 ADCE CC[C@H](CO)N(C)c1ccc(N)cc1 379173971 PXQYMHATZDCTFM-SNVBAGLBSA-N 194.278 1.476 10 10 ADCE COc1ccc(O)c([C@H](N)CCF)c1 575439916 OKURQGMKXVKZGZ-SECBINFHSA-N 199.225 1.760 10 10 ADCE NC/C=C\c1cc(O)c(O)c(F)c1 687680162 DWPTWIQDVNKZMX-UPHRSURJSA-N 183.182 1.209 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@@H](N)CCN1CC1CC1 712053687 CLJCYTPFEWGTFV-IUCAKERBSA-N 195.270 1.108 10 10 ADCE NC[C@H]1C[C@H]1CNc1ccc(N)cc1 1889026493 YIJVQOPUDNCZJY-BDAKNGLRSA-N 191.278 1.276 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@@H](F)C1 1893606747 RKWQAUIRCAQESS-OLQVQODUSA-N 186.190 1.161 10 10 ADCE C[C@H](C=Cc1nccn1C)CN 1931100393 ABODDUTXNQEGCW-MRVPVSSYSA-N 165.240 1.028 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1cscn1 1934621183 MCRYLSBNMZHKQG-RXMQYKEDSA-N 170.197 1.487 10 10 ADCE Cn1ncc(Cl)c1CN=[N+]=[N-] 1953222034 YAUCQZPUSRNEAN-UHFFFAOYSA-N 171.591 1.884 10 10 ADCE CCc1cc(C(=O)O)cc(O)c1O 2060113814 VCMWCYSIGNGZHN-UHFFFAOYSA-N 182.175 1.358 10 10 ADCE CCN=[N+]=[N-] 5650406 UCSVJZQSZZAKLD-UHFFFAOYSA-N 71.083 1.317 10 10 ADCE CC(C)NCc1ccc(O)c(O)c1 19880443 HZYGCVOWKHTAAF-UHFFFAOYSA-N 181.235 1.596 10 10 ADCE CCC(CC)NC(=O)[C@H](C)N=[N+]=[N-] 104701800 VMOBGMFLBHQEIV-LURJTMIESA-N 184.243 1.990 10 10 ADCE COc1cccc(/[N+]([O-])=N/C#N)c1 105359411 LUIFFCPYIVZEKQ-KHPPLWFESA-N 177.163 1.770 10 10 ADCE C[C@@H](N)c1cc2c(cc1O)COC2 108292287 DVHISPWGKKCJKO-ZCFIWIBFSA-N 179.219 1.442 10 10 ADCE [N-]=[N+]=CC(=O)c1ccccc1[N+](=O)[O-] 142895863 VOSSLASNONSHOH-UHFFFAOYSA-N 191.146 1.078 10 10 ADCE N=[N+]=Cc1ccccc1 145417231 UNVGRFIOQDWZPE-UHFFFAOYSA-N 119.147 1.345 10 10 ADCE NCc1cc(F)c(O)c(Cl)c1O 214666292 FLPHTETZXXSQJQ-UHFFFAOYSA-N 191.589 1.349 10 10 ADCE NC/C=C\CSc1nccs1 217621883 OGFOKZVPTKFJPO-UPHRSURJSA-N 186.305 1.750 10 10 ADCE C[C@@H]1CN(C)CCCN1CCN=[N+]=[N-] 235342936 PXQKYKSKYPIWSK-SECBINFHSA-N 197.286 1.323 10 10 ADCE CC(C)NC(=O)CCCN=[N+]=[N-] 238206777 CYMKUNIAAPFWRS-UHFFFAOYSA-N 170.216 1.602 10 10 ADCE C[C@H](CN=[N+]=[N-])[C@H]1C=CCO1 238415834 CKQYQYJBKRQFEN-RNFRBKRXSA-N 153.185 1.888 10 10 ADCE CC[C@@H](N)[C@H](N)c1cccc(F)c1O 306951143 LNJSZNRTBGWZBR-RKDXNWHRSA-N 198.241 1.268 10 10 ADCE Cc1ccc(C)n1-c1csnn1 606253927 PTTPQEOOOOAEAL-UHFFFAOYSA-N 179.248 1.946 10 10 ADCE C[C@H]1CCN1Cc1cc(N)ccc1O 706814320 MXSUKIZSCFMJGY-QMMMGPOBSA-N 192.262 1.569 10 10 ADCE CC(C)N1CCC(=O)[C@@H]1CN=[N+]=[N-] 711949141 GCYPKQQFJAWQEO-ZETCQYMHSA-N 182.227 1.349 10 10 ADCE C[C@@H]1C/C(=C/c2nccn2C)CN1 953007251 ZHCYBWSCGLHFFP-WSQKDGNHSA-N 177.251 1.185 10 10 ADCE Nc1c[nH]nc1-c1cccc(O)c1O 1535731556 ZWKPTGHLKRYZEU-UHFFFAOYSA-N 191.190 1.070 10 10 ADCE C[C@H]1C[C@@H](Nc2ccc(N)cc2)CN1 1888920926 AUETYUULJQWPGI-GZMMTYOYSA-N 191.278 1.431 10 10 ADCE Nc1ccccc1N[C@H]1CC[C@H](N)C1 1888922610 ICTBCGYRPLZRAL-IUCAKERBSA-N 191.278 1.561 10 10 ADCE CC[C@H](N)[C@H](C)Oc1ccc(N)cc1 1896245903 MIIKPAPEYHAMHY-KWQFWETISA-N 194.278 1.773 10 10 ADCE COc1cc(OC)n(CCN=[N+]=[N-])n1 1912145844 LYKNMYAFLPCGEO-UHFFFAOYSA-N 197.198 1.211 10 10 ADCE CSCCN1CC[C@H](N=[N+]=[N-])C1 1912183981 VQPYJNDJQBNALB-ZETCQYMHSA-N 186.284 1.734 10 10 ADCE C[C@@H](CCN=[N+]=[N-])n1cncn1 1951351211 VNGSZJOGADLLQI-LURJTMIESA-N 166.188 1.540 10 10 ADCE CN(C)c1ccc([C@]2(C)CCN2)cc1 1952186089 MIJXITOKUGQCDE-LBPRGKRZSA-N 190.290 1.961 10 10 ADCE Oc1ccccc1[C@@H]1NCCC[C@@H]1O 82388188 SXVHPLIHWFANAK-QWRGUYRKSA-N 193.246 1.178 10 10 ADCE C[C@@H](O)CCN(C)c1ccc(N)cc1 133859913 XURADLZSIJOSCY-SECBINFHSA-N 194.278 1.476 10 10 ADCE CCCC[C@H](CO)N=[N+]=[N-] 141533665 IPOJSCYTQTWAHK-ZCFIWIBFSA-N 143.190 1.848 10 10 ADCE CN(C)c1ccc2c(c1)COC[C@H]2N 238331034 XDBIAHWPAJDRJV-LLVKDONJSA-N 192.262 1.283 10 10 ADCE Cc1cc(O)c([C@H]2CCCN2)cc1O 258027789 IUVGUYHNLKYZBZ-SECBINFHSA-N 193.246 1.831 10 10 ADCE CN(C)N=Nc1ccc(CO)cc1 388216105 ZLVSQUFFQBYFOW-UHFFFAOYSA-N 179.223 1.739 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@@H]1CC12CC2 705140898 KEHMYMIFLGAUBQ-ZETCQYMHSA-N 194.238 1.603 10 10 ADCE CCO[C@@H](C)[C@@H](CO)N=[N+]=[N-] 1535801504 UGJJIGMFOIFYCN-NTSWFWBYSA-N 159.189 1.083 10 10 ADCE CN(CCCN=[N+]=[N-])C(CF)CF 1882711619 UWCFBHIGABGQRT-UHFFFAOYSA-N 192.213 1.926 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1C[C@H]1OC 1887711882 CAZXAKQFZSCEMS-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE C[C@H]1NCC[C@H]1Oc1ccc(N)cc1 1896302787 KCHTZQBXMGUTEX-LDYMZIIASA-N 192.262 1.398 10 10 ADCE CN[C@H](CN(C)C)c1ccccc1O 1928472332 OOMVDZPTWVXPHK-SNVBAGLBSA-N 194.278 1.214 10 10 ADCE CCN[C@H](CO)c1ccccc1O 1929439204 QSTASNBQHWXHSL-SECBINFHSA-N 181.235 1.035 10 10 ADCE C[C@H]1CNC[C@@H](C)N1CCCN=[N+]=[N-] 1957246766 GRMGMPXUNCAYSD-DTORHVGOSA-N 197.286 1.369 10 10 ADCE [N-]=[N+]=NCCN1CCn2cncc2C1 2241849301 VHFDCJIVIZLDCK-UHFFFAOYSA-N 192.226 1.009 10 10 ADCE CC(C)Cn1ncnc1CN=[N+]=[N-] 83980024 VGPZZWLDPFEELR-UHFFFAOYSA-N 180.215 1.744 10 10 ADCE [N-]=[N+]=NCCNC(=O)C1C[C@@H]2C[C@@H]2C1 87566001 FLJXDNYLBRKALF-DHBOJHSNSA-N 194.238 1.459 10 10 ADCE O=C1C[C@@H](c2ccccc2)C1=O 104529835 RLIGHGKOHGETFZ-QMMMGPOBSA-N 160.172 1.312 10 10 ADCE CN1CCC(=O)[C@@H]1c1ccccc1O 107176376 XBRFTYIOMDSWSH-NSHDSACASA-N 191.230 1.338 10 10 ADCE COC(CCCN=[N+]=[N-])(OC)OC 140221213 WLPQPNOZMXHGFP-UHFFFAOYSA-N 189.215 1.670 10 10 ADCE COc1ccc([C@H](CO)N=[N+]=[N-])cn1 207833864 ATNIIJUAAJVSTB-ZETCQYMHSA-N 194.194 1.434 10 10 ADCE CC1(C)CO[C@@](C)(N=[N+]=[N-])O1 238235177 LDFUAKYSYZNTTR-ZCFIWIBFSA-N 157.173 1.796 10 10 ADCE CCOC/C(=C\O)C(=O)OCC 238315258 BXNRBCOHTFBBAZ-FNORWQNLSA-N 174.196 1.028 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@@H]1S(=O)(=O)O 238716026 UYTZOLDCTANPHH-WHFBIAKZSA-N 191.212 1.106 10 10 ADCE COC(=O)[C@]1(N=[N+]=[N-])CCCC[C@@H]1O 238800584 MVCSFMUAEUYNIZ-XPUUQOCRSA-N 199.210 1.143 10 10 ADCE Cc1cc(C2(N)CC2)c(O)c(O)c1C 257993926 FSCCIRNJYXSXLL-UHFFFAOYSA-N 193.246 1.662 10 10 ADCE COC(=O)[C@H](N=[N+]=[N-])[C@@H](C)[C@H](C)F 308086178 WNSSGNRSCDWSEL-HCWXCVPCSA-N 189.190 1.832 10 10 ADCE Nc1ccc(CNCCCF)cc1 388577689 ACFREQVHOMXTDZ-UHFFFAOYSA-N 182.242 1.718 10 10 ADCE Cn1ccc2ccc(C3CNC3)cc21 1535842536 MZKFDOPIZGNPRY-UHFFFAOYSA-N 186.258 1.865 10 10 ADCE Cn1cnc(Cl)c1CN=[N+]=[N-] 1536190877 SZVSGKCZWZNMHO-UHFFFAOYSA-N 171.591 1.884 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCOC1(C)C 1912155148 GCSYBZRNDACDND-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE COC(C)(C)[C@H](N)c1ccccc1O 1928472698 SUESQKVUPALEHT-SNVBAGLBSA-N 195.262 1.817 10 10 ADCE COC[C@H](N)c1cccc(OC)c1O 1951524240 LMISWESJJDTPMB-QMMMGPOBSA-N 197.234 1.047 10 10 ADCE C[C@]1(c2ccc(F)cc2O)CC(=O)N1 1951856885 SHFPIDMLWWJAMW-SNVBAGLBSA-N 195.193 1.266 10 10 ADCE [N-]=[N+]=NCCN1CC=C(F)C1 1953296331 MAIUOFKLQKQNHT-UHFFFAOYSA-N 156.164 1.466 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2CC[C@@H]1[C@H]2N 2297145490 BFKKMZQGBOPORS-HLTSFMKQSA-N 195.270 1.108 10 10 ADCE CCOCCOCc1ccc(N)cc1 19393853 UNGVFZTVOQMKJO-UHFFFAOYSA-N 195.262 1.822 10 10 ADCE CC[C@]1(C)O[C@@](C)(CC)C(=[N+]=[N-])C1=O 37629719 YKTJFEOTQLVWAH-UWVGGRQHSA-N 196.250 1.594 10 10 ADCE Oc1cccc(Cn2ccnc2)c1O 38312635 FQBZLMXHTJDUIV-UHFFFAOYSA-N 190.202 1.343 10 10 ADCE Nc1ccc(NC[C@@H]2CCOC2)cc1 61146655 WKYRRIVPDNXZFO-VIFPVBQESA-N 192.262 1.717 10 10 ADCE CCCn1cnc2cc(O)c(O)cc21 77019081 BERKNSRSOLHOAH-UHFFFAOYSA-N 192.218 1.858 10 10 ADCE CC(C)(N)c1ccc(O)c(O)c1 82852670 RWPNTWBHDXBIGI-UHFFFAOYSA-N 167.208 1.292 10 10 ADCE CC[C@@H]1NCCc2c(O)ccc(O)c21 83657762 IYHPVEPGIUSMBM-QMMMGPOBSA-N 193.246 1.695 10 10 ADCE C[C@H](CCCO)Nc1ccc(N)cc1 87344771 KUFZFDPPIWFOBI-SECBINFHSA-N 194.278 1.842 10 10 ADCE Cc1ccc(F)c([C@@H](N)[C@H](C)O)c1O 95707007 AIEYJORKFKJWSQ-RCOVLWMOSA-N 199.225 1.220 10 10 ADCE O=[N+]([O-])c1ccc(O)c([C@H]2CCN2)c1 95783950 GAEJBNHHXSXIIZ-MRVPVSSYSA-N 194.190 1.335 10 10 ADCE C[C@H](CO)SCc1ccc(N)cc1 125495355 GEKWACGOEAHROQ-MRVPVSSYSA-N 197.303 1.883 10 10 ADCE C[C@@H]1CCCCC(=O)C1=O 143537111 DBDAAKIULIZCGG-ZCFIWIBFSA-N 140.182 1.335 10 10 ADCE CC1(CCCN=[N+]=[N-])OCCO1 196739016 GCWFUXRQVOWJCW-UHFFFAOYSA-N 171.200 1.840 10 10 ADCE N#CN[C@@H]1CCCC[C@@H]1N=[N+]=[N-] 238554546 YAYJTLNSMFSMJR-RQJHMYQMSA-N 165.200 1.679 10 10 ADCE Oc1cscc1[C@@H]1CCCN1 238676437 WJWASQQKKWIOPS-ZETCQYMHSA-N 169.249 1.878 10 10 ADCE CC(=O)OC[C@@H]1C[C@@H]2O[C@H]2[C@H]1N=[N+]=[N-] 393538201 MOIUJTNQBRBKBA-DKXJUACHSA-N 197.194 1.016 10 10 ADCE CCn1ccnc1/C=C(/C)C1CNC1 686267105 ZAURCEVKTFBNFX-TWGQIWQCSA-N 191.278 1.526 10 10 ADCE C[C@H]1COC[C@H](CN=[N+]=[N-])O1 958692229 SJXYNUKKLRXJPG-WDSKDSINSA-N 157.173 1.101 10 10 ADCE C[C@H](F)CN1CC[C@H](N=[N+]=[N-])C1 1880603147 SVYDAZWIDMHCLK-BQBZGAKWSA-N 172.207 1.729 10 10 ADCE C[C@H](Nc1ccc(N)cc1)[C@@H](C)N 1883134676 VLNYQPVQIDJWFJ-SFYZADRCSA-N 179.267 1.416 10 10 ADCE CCN(CCN=[N+]=[N-])CC[C@@H]1CCO1 1887717143 HDJZGBUBDCMASB-SECBINFHSA-N 198.270 1.798 10 10 ADCE CN(CCCCN=[N+]=[N-])C[C@@H]1CCO1 1889800584 XUBRKUVQFCZHBQ-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CC(=O)C(=O)[C@H](O)c1ccsc1C 1929177583 ONRLDKPSJPHABP-SECBINFHSA-N 198.243 1.248 10 10 ADCE CC(=O)C(=O)Cc1cc(F)cc(F)c1 1951720584 IDHXEEBFLOSERA-UHFFFAOYSA-N 198.168 1.665 10 10 ADCE Nc1ccc(N[C@@]23CNC[C@H]2C3)cc1 2210025786 VFFDSDKOECXYDJ-KCJUWKMLSA-N 189.262 1.043 10 10 ADCE COc1cc(O)c(CN)c(Cl)c1 2297006810 BFOCEUIICZDHQO-UHFFFAOYSA-N 187.626 1.513 10 10 ADCE NN[C@@H](c1ccccc1O)[C@@H]1C[C@H]1F 2297026833 PWHKAKZRODFWFS-MRTMQBJTSA-N 196.225 1.255 10 10 ADCE CCOC(=O)[C@@](C)(F)CN=[N+]=[N-] 196306563 LYMFUKGUXRZHQQ-LURJTMIESA-N 175.163 1.588 10 10 ADCE CC(C)[C@H](N)c1cc(CO)ccc1O 211600687 QRGRBSUKGQAASE-NSHDSACASA-N 195.262 1.540 10 10 ADCE CNCc1cc(OC)c(F)cc1O 213183521 ZTDBVBGRCVUNDD-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE C[C@@H]1CC[C@@H](O)[C@@H](N=[N+]=[N-])C1 227241384 RJCPAJQFVLTSMK-DSYKOEDSSA-N 155.201 1.846 10 10 ADCE CCC/C(=C\O)C(=O)OC 238210829 ZBMAGRDLTNOJFV-AATRIKPKSA-N 144.170 1.401 10 10 ADCE C[C@@H](N)c1cc(O)cs1 238425257 PTEDCGOFYFMPLE-SCSAIBSYSA-N 143.211 1.473 10 10 ADCE Cc1cc(C)c(O)c(CNC=O)c1 238543955 YTEAFURBNAEAQX-UHFFFAOYSA-N 179.219 1.255 10 10 ADCE [N-]=[N+]=NCC1CCC(O)CC1 306213319 ZAODDFITCGBHRU-UHFFFAOYSA-N 155.201 1.848 10 10 ADCE COC[C@@H]1O[C@H](N=[N+]=[N-])C=C[C@H]1OC 308339750 HMFDSXAIWGSYPI-CSMHCCOUSA-N 199.210 1.239 10 10 ADCE C[C@H]1CC[C@@]1(NCCN=[N+]=[N-])C(=O)O 393684534 MSDDPOGRPRSGQP-XPUUQOCRSA-N 198.226 1.140 10 10 ADCE CC=CC=CC(=O)N1CC(N=[N+]=[N-])C1 1912143745 KDSQZLRAXGSRTK-UHFFFAOYSA-N 192.222 1.640 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@@H]1CCOC1 1912166207 UGOSJZZWXRGARW-SECBINFHSA-N 198.270 1.798 10 10 ADCE [N-]=[N+]=NC1CN(C[C@H]2CC2(F)F)C1 1912204652 BVZZXSUUMFQMDT-RXMQYKEDSA-N 188.181 1.636 10 10 ADCE CCn1ncc(CN=[N+]=[N-])n1 1953335840 FRMVLJJWLLQRFD-UHFFFAOYSA-N 152.161 1.108 10 10 ADCE [N-]=[N+]=NCCCCN1CCN[C@H]2C[C@@H]21 1957248401 CIOXXLFDDIIXDH-IUCAKERBSA-N 195.270 1.123 10 10 ADCE CC1=NN(C)C(=O)C1=Cc1ccc[nH]1 2332143203 HOAPCKITRYVCOW-UHFFFAOYSA-N 189.218 1.246 10 10 ADCE Cn1cccc1S(=O)(=O)N=[N+]=[N-] 32602797 AZRWLMBFOSCVES-UHFFFAOYSA-N 186.196 1.024 10 10 ADCE CC(C)CC(=O)NCCN=[N+]=[N-] 42012118 QBSFJKSWKBTHAY-UHFFFAOYSA-N 170.216 1.459 10 10 ADCE N=C1SCCN1c1ccc(N)cc1 59358098 IBRMDPYUGVPKNC-UHFFFAOYSA-N 193.275 1.757 10 10 ADCE CCNCc1ccc(C)cc1O 83339805 TWAYPFSMUVHUNY-UHFFFAOYSA-N 165.236 1.810 10 10 ADCE CN[C@H]1CN(C)c2ccc(OC)cc21 84769063 MADBCUSEEIYROU-JTQLQIEISA-N 192.262 1.406 10 10 ADCE C[C@H]1CN[C@H](CN=[N+]=[N-])S1 87602890 XKJFVWBOIRIUND-WHFBIAKZSA-N 158.230 1.348 10 10 ADCE CC1(Cc2ccc(N)cc2)OCCO1 115494175 QHKNQJDPPNJNSN-UHFFFAOYSA-N 193.246 1.574 10 10 ADCE CO[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O1 141955400 ZKDPFYAFKQRQBS-HSUXUTPPSA-N 198.186 1.737 10 10 ADCE [N-]=[N+]=N[C@H]1CCC2(C1)OCCO2 199871886 GSZISZIWUCITEX-LURJTMIESA-N 169.184 1.592 10 10 ADCE COC(=O)/C=C\[C@@H](C)N=[N+]=[N-] 220661497 FTDSCDIAQQQGLO-CLBPYYFESA-N 155.157 1.414 10 10 ADCE Cc1cccc(O)c1[C@@H](N)[C@@H](C)O 238449329 JKHQDFUGAYXYRT-XCBNKYQSSA-N 181.235 1.081 10 10 ADCE OCc1cccc(O)c1[C@@H]1CCCN1 238727183 JQNNQOXYMPCQDL-VIFPVBQESA-N 193.246 1.309 10 10 ADCE Oc1cccc(C2(O)CC2)c1O 257940752 DDCUVYLGPPLBKE-UHFFFAOYSA-N 166.176 1.079 10 10 ADCE CNCc1ccc2c(c1)C[C@@H](C)N2C 258159973 RMUFOCPOLWWIPS-SECBINFHSA-N 190.290 1.787 10 10 ADCE Nc1ccc2c(O)csc2c1N 306828784 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ADCE Nc1ccc(OCCC2(N)CC2)cc1 1896320909 HENUZRQFKDFJQL-UHFFFAOYSA-N 192.262 1.529 10 10 ADCE CCCC[C@@H](O)CN1CC(N=[N+]=[N-])C1 1912181031 JHCVMPWFUIXQFZ-SECBINFHSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CO[C@@H](C2)C1 1912196739 MTGJPVUFCMIBPH-YUMQZZPRSA-N 182.227 1.017 10 10 ADCE C[C@@H]1C[C@@H](N)CN1CCCN=[N+]=[N-] 1954208646 QJRGZDYCJWHCFZ-HTQZYQBOSA-N 183.259 1.108 10 10 ADCE C[C@]1(O)C[C@H]2[C@H]1CCN2CCN=[N+]=[N-] 2209466060 DJESSQMEKKIVGX-VGMNWLOBSA-N 196.254 1.142 10 10 ADCE Nc1c(O)c(O)c(N)c2ccccc12 62719815 VLAVJAMNZQLIRP-UHFFFAOYSA-N 190.202 1.415 10 10 ADCE Nc1ccc(N2CC=CC2)cc1 114612824 SCFMSWWOILOHCW-UHFFFAOYSA-N 160.220 1.645 10 10 ADCE COc1ccc(C)c(O)c1CN 202034079 NAZQXAPLBYYUCQ-UHFFFAOYSA-N 167.208 1.168 10 10 ADCE COC(=O)[C@@H](O)C1(N=[N+]=[N-])CCCC1 238321122 WJFGOCNJSWBNJP-ZCFIWIBFSA-N 199.210 1.143 10 10 ADCE C[C@H]1O[C@@H]1CN=[N+]=[N-] 238504510 FPEMDAKNKAUEKQ-QWWZWVQMSA-N 113.120 1.084 10 10 ADCE COC[C@H]1CN[C@H]1c1ccccc1O 257827108 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185.198 1.127 10 10 ADCE CNCNCc1ccc(OC)c(C)c1 258780613 BNVIAWAOHJPFCD-UHFFFAOYSA-N 194.278 1.270 10 10 ADCE Oc1cccc(C2(O)CCCC2)c1O 259337791 DNTPJJZXDQFANM-UHFFFAOYSA-N 194.230 1.859 10 10 ADCE C[C@H]1C[C@@H]1NC(=O)c1cc(O)cs1 306277007 HONXCFHHVXCEFX-FSPLSTOPSA-N 197.259 1.592 10 10 ADCE [N-]=[N+]=N[C@@H]1c2ccccc2OC[C@H]1O 306423597 GVZIVUKIDQYGLV-VXNVDRBHSA-N 191.190 1.791 10 10 ADCE CC(C)[C@@](N)(CO)c1ccccc1O 714093032 KHOIVJZALDCMBE-NSHDSACASA-N 195.262 1.195 10 10 ADCE C[C@H](O)[C@H]1CCN1CCCCN=[N+]=[N-] 1885791126 RBLBCKSHSPTNOI-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)OC 1887717387 JVDKGZQYHIGLGX-UHFFFAOYSA-N 172.188 1.385 10 10 ADCE CC1(C)NC[C@@H]1Oc1ccc(N)cc1 1900718366 POZVMVBNLXTEJL-JTQLQIEISA-N 192.262 1.398 10 10 ADCE [N-]=[N+]=NCc1nsc(C(=O)O)n1 1912179051 QWSICLLGZRCKDD-UHFFFAOYSA-N 185.168 1.047 10 10 ADCE C[C@H](CN)Cc1ccc(O)c(O)c1 1951572675 CTSNOJCAYQHYDC-ZETCQYMHSA-N 181.235 1.235 10 10 ADCE O=C1CN[C@@H](c2cc(F)ccc2O)C1 1951967220 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10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)C1CC1 2209519288 JLDYPYQPIZQXBN-HTQZYQBOSA-N 194.238 1.744 10 10 ADCE CC(C)C(=S)C(=O)O 37637255 VMYSQWXMEMWRMN-UHFFFAOYSA-N 132.184 1.097 10 10 ADCE CCCCC(=O)NCCN=[N+]=[N-] 42375167 SBZWHTUNIYKEAW-UHFFFAOYSA-N 170.216 1.603 10 10 ADCE CCc1nncn1-c1ccc(N)cc1 82655699 FADNNBODCGWPCI-UHFFFAOYSA-N 188.234 1.412 10 10 ADCE CCOC(=O)/C(C)=C\O 100207637 UPWSFLJBKRQKBD-PLNGDYQASA-N 130.143 1.011 10 10 ADCE C[C@@H](N)c1sccc1O 106068868 MXSWQGXZUVIPCU-SCSAIBSYSA-N 143.211 1.473 10 10 ADCE C[C@H](NN(C)C)c1cc(F)ccc1O 134207737 ZRHPSWFMYOUXJV-ZETCQYMHSA-N 198.241 1.659 10 10 ADCE [N-]=[N+]=N[C@H]1CCC[C@H]2COC(=O)N21 196426827 UDASUGRAOQDSBV-NTSWFWBYSA-N 182.183 1.628 10 10 ADCE CO[C@@H](C)Cc1ccc(N)cc1 217038228 PVDOMBLJGADUEP-QMMMGPOBSA-N 165.236 1.846 10 10 ADCE CC[C@H](N)c1ccc(F)c(O)c1O 238316050 IEFHQDGGZQRNTC-ZETCQYMHSA-N 185.198 1.647 10 10 ADCE CC(=O)N[C@@H](C)c1ccccc1O 238432142 FNMJPYHSXMENCL-ZETCQYMHSA-N 179.219 1.589 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCC[C@H]1OCC(N)=O 238547244 KXYSWKWQIPJJQI-RNFRBKRXSA-N 198.226 1.110 10 10 ADCE CC(C)C(=O)C(=O)Cc1cccnc1 258619381 PZOHBYCDPBACOF-UHFFFAOYSA-N 191.230 1.418 10 10 ADCE [N-]=[N+]=N[C@H]1[C@H]2CC[C@H]1[C@@H](O)C2 306283206 OUQPQWMTKYWLBM-AXMZGBSTSA-N 153.185 1.456 10 10 ADCE C[C@]1(N=[N+]=[N-])O[C@H]2CC[C@H]2O1 306411290 NCFALWLANVYFFH-FPFOFBBKSA-N 155.157 1.548 10 10 ADCE CC[C@@H](O)[C@@H](C)Nc1ccccc1N 306678355 AJBIPBDPKOOCGX-LDYMZIIASA-N 194.278 1.840 10 10 ADCE CC(=S)/C=C(\N)c1ccco1 307897078 MLVZGYHVEVUEFR-ALCCZGGFSA-N 167.233 1.969 10 10 ADCE CCCC/C(=C/O)C(=O)OC 379044308 HMBZVGNGHJORHD-SREVYHEPSA-N 158.197 1.792 10 10 ADCE C[C@H]1CC[C@]1(NCCN=[N+]=[N-])C(=O)O 393684532 MSDDPOGRPRSGQP-POYBYMJQSA-N 198.226 1.140 10 10 ADCE CC[C@H](C)N1CC[C@@H](N)[C@@H]1CN=[N+]=[N-] 712132867 MRNJCCOUJKKOFU-YIZRAAEISA-N 197.286 1.497 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@@H](N)C12CCOCC2 718981971 ZBAIIDIUCNWZJU-RQJHMYQMSA-N 182.227 1.193 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@]12CCC[C@@H]1OCC2 1615847206 HUBHCMDZZDYGSU-HRDYMLBCSA-N 197.238 1.617 10 10 ADCE [N-]=[N+]=NC1CN(CC2(F)CCC2)C1 1881995534 VZJBCZINMBRVDY-UHFFFAOYSA-N 184.218 1.873 10 10 ADCE C[C@@H](CN)CNc1ccc(N)cc1 1883132869 IQQPFACHQNQCPS-QMMMGPOBSA-N 179.267 1.276 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1[C@@H]2CCO[C@@H]21 1884443827 DJOVMLYOXNPCTD-YIZRAAEISA-N 196.254 1.263 10 10 ADCE C[C@@H](CO)CN1CCC[C@H]1CN=[N+]=[N-] 1885286449 KGVKVAALZNOPEB-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE CCC(=O)N(CC)CCN=[N+]=[N-] 1887718139 STGLEQWPKYLIPF-UHFFFAOYSA-N 170.216 1.555 10 10 ADCE Nc1ccc(N2O[C@H]3C=C[C@H]2C3)cc1 1896707522 ZFWYTPXTODHTCH-QWRGUYRKSA-N 188.230 1.718 10 10 ADCE CC(=O)C(=O)c1ccc(O)c(Cl)c1 1951526709 HKWBCQNPHRHOTL-UHFFFAOYSA-N 198.605 1.817 10 10 ADCE CO[C@@H](C)c1noc(CN=[N+]=[N-])n1 1953991453 VFZIPWPXWYBRPI-BYPYZUCNSA-N 183.171 1.587 10 10 ADCE CNCCN(CCCN=[N+]=[N-])C(C)C 1957244544 QVKQMKVWWXJHOR-UHFFFAOYSA-N 199.302 1.617 10 10 ADCE [N-]=[N+]=NCCCN1O[C@H]2CC[C@H]1C2 2241376678 PFMFGPODLBHLCC-YUMQZZPRSA-N 182.227 1.855 10 10 ADCE CSc1ccc(O)c(O)c1 34514854 TZTSPEAYXRJPDA-UHFFFAOYSA-N 156.206 1.820 10 10 ADCE [N-]=[N+]=NCCCNC(=O)C1CCC1 42012871 SGUWANBLDHJYIG-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE Cc1ccn(CCCN=[N+]=[N-])n1 70685965 CCNUEDOXCRTCLP-UHFFFAOYSA-N 165.200 1.892 10 10 ADCE NCc1ccc(O)c([C@@H]2CCCN2)c1 72201637 QBFSQUPNYCBLCN-JTQLQIEISA-N 192.262 1.275 10 10 ADCE Nc1cnoc1-c1ccc2n1CCC2 74276218 LYLSWNGXPBEQFH-UHFFFAOYSA-N 189.218 1.672 10 10 ADCE C/N=N/C=C1/C=CC=CN1 104694571 AKDAOZFGAJNFRW-VAAURPRASA-N 135.170 1.583 10 10 ADCE C[C@@H]1C[C@H](CN=[N+]=[N-])OC1=O 135757034 HWTOFXWZDDBLCN-RFZPGFLSSA-N 155.157 1.248 10 10 ADCE CC(=O)O[C@H]1CCC[C@@H]1N=[N+]=[N-] 212378617 GFVZBYQQTGIDPH-BQBZGAKWSA-N 169.184 1.781 10 10 ADCE CC[C@H](C)[C@H](N)CN=[N+]=[N-] 238267117 HQGXYYXZWFZHRD-NTSWFWBYSA-N 142.206 1.670 10 10 ADCE CC(=O)N[C@H](C)c1cc(C)ccc1O 238372937 JLCLHFDRIIHLHE-MRVPVSSYSA-N 193.246 1.898 10 10 ADCE CO[C@@H]1O[C@H]2CS[C@H]1[C@@H]2N=[N+]=[N-] 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[N-]=[N+]=N[C@H](CC1CCNCC1)C(=O)O 139310162 IRBAUBDFIYJKCY-SSDOTTSWSA-N 198.226 1.140 10 10 ADCE CC(=O)O[C@@H]1CC[C@H](N=[N+]=[N-])C1 166349389 ZLTLCRCPUIHEFW-NKWVEPMBSA-N 169.184 1.781 10 10 ADCE CC1(N=[N+]=[N-])O[C@@H]2CC[C@H]2O1 238238593 NCFALWLANVYFFH-RFZPGFLSSA-N 155.157 1.548 10 10 ADCE CC[C@@H]1C[C@@H](CN=[N+]=[N-])OC1=O 238279657 YEHTVBDJHTYIPP-RITPCOANSA-N 169.184 1.638 10 10 ADCE Oc1cscc1F 307356638 ZIOKFCVCOVSUFD-UHFFFAOYSA-N 118.132 1.593 10 10 ADCE Cc1ccc([C@@H](CO)N=[N+]=[N-])cn1 1535718767 VXURNHLJAKIBJZ-MRVPVSSYSA-N 178.195 1.734 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2CC[C@@]2(CO)C1 1896245704 LANCEQAPGXGVMR-IUCAKERBSA-N 196.254 1.001 10 10 ADCE [N-]=[N+]=NCCN1CC2(CCC2)C1 1912182706 FQDMVFYDBGGZLW-UHFFFAOYSA-N 166.228 1.783 10 10 ADCE Nc1ccc(OCc2ncno2)cc1 38055605 CSDWZKRCZAFZBW-UHFFFAOYSA-N 191.190 1.231 10 10 ADCE C/C=C/C(=O)Nc1ccc(N)cc1 63063517 CYOPGRYXWQHJKJ-NSCUHMNNSA-N 176.219 1.783 10 10 ADCE [N-]=[N+]=NC[C@H](NC1CCCC1)C(=O)O 85622255 MOHBOXDWKSUNDH-ZETCQYMHSA-N 198.226 1.282 10 10 ADCE CC(C)N(O)Cc1ccccc1O 143791843 YXDDYIOQHNUSHX-UHFFFAOYSA-N 181.235 1.992 10 10 ADCE [N-]=[N+]=N[C@H]1C=CCC[C@@H]1O 197090590 ZHXMGQUMFCWLHF-WDSKDSINSA-N 139.158 1.376 10 10 ADCE CC1(C)C[C@@H](CN=[N+]=[N-])OC1=O 211603954 NIBCWYMDNMEBPX-YFKPBYRVSA-N 169.184 1.638 10 10 ADCE CCCCC[C@@H](O)[C@H](CO)N=[N+]=[N-] 214323892 UKEDANHVKNAKDE-JGVFFNPUSA-N 187.243 1.599 10 10 ADCE NC1(c2c(O)cc(F)cc2F)CC1 214398230 RDMVDQAXJXYPDM-UHFFFAOYSA-N 185.173 1.618 10 10 ADCE CCC[C@H](N)c1cc(O)nc(O)c1 238245650 HZHMFFOJFXZNCP-ZETCQYMHSA-N 182.223 1.293 10 10 ADCE CC[C@H]1CN=N[C@@]1(N=[N+]=[N-])C(=O)OC 238312311 OTZOYDWCUQMUIT-FSPLSTOPSA-N 197.198 1.658 10 10 ADCE NC1(c2cc(CO)ccc2O)CCC1 238560144 SJKSHWGFYNNXTI-UHFFFAOYSA-N 193.246 1.222 10 10 ADCE C[C@@]1(c2ccccc2O)CC(=O)CN1 258882288 MUWIUFLVCIAFIC-NSHDSACASA-N 191.230 1.170 10 10 ADCE COc1ccc2c(c1)C(=[N+]=[N-])N=N2 306857025 ZGGJDWCGZKAIHB-UHFFFAOYSA-N 174.163 1.769 10 10 ADCE COC(=O)N1CC[C@H](CN=[N+]=[N-])C1 885449432 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1.983 10 10 ADCE CN(C)CCCCN1CC(N=[N+]=[N-])C1 1912160389 VLUASAXSHRMNHO-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE CCOC[C@H](N)c1ccccc1O 1928467618 MLYFUGDRRFBABN-VIFPVBQESA-N 181.235 1.429 10 10 ADCE OC[C@@]1(F)C[C@@H]1c1cccc(O)c1O 1952374758 KSHJFNCMDCOBKS-XCBNKYQSSA-N 198.193 1.286 10 10 ADCE CC(=O)C(=O)C[C@@H](C)C1CC1 1952770935 SFJPISLNTQDYPV-ZCFIWIBFSA-N 154.209 1.581 10 10 ADCE [N-]=[N+]=NCCC(=O)N1CCCCC1 1954153632 PEUCFENDGBVINT-UHFFFAOYSA-N 182.227 1.699 10 10 ADCE C[C@H](N=[N+]=[N-])C(F)F 2242510526 DDNXNZJNCRHMLR-REOHCLBHSA-N 121.090 1.950 10 10 ADCE Nc1ccc(OCC[C@@H]2CCO2)cc1 2242534922 LMHWLZVEFHVNEC-LLVKDONJSA-N 193.246 1.827 10 10 ADCE C[C@@H](CO)CNc1ccc(N)cc1 83219006 NVNAJEPZJCULQV-MRVPVSSYSA-N 180.251 1.309 10 10 ADCE C[C@@H](CN)Oc1ccc(N(C)C)cc1 84928762 GRYAQVMODGHKJF-VIFPVBQESA-N 194.278 1.479 10 10 ADCE Cn1cc(Nc2ccc(N)cn2)cn1 86778728 XDNJUXDNMNWBIS-UHFFFAOYSA-N 189.222 1.141 10 10 ADCE N#CNc1ccc(N)cc1 104644139 NRZZJDPJVVRJIB-UHFFFAOYSA-N 133.154 1.162 10 10 ADCE 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ADCE CC(C)[C@@H]1CN[C@@H](CN=[N+]=[N-])OC1 885456489 ZXUOGGCGJSXYII-HTQZYQBOSA-N 184.243 1.515 10 10 ADCE CC(=O)C1(c2cccc(O)c2O)CC1 1536203051 PRFARYCTDUUDFA-UHFFFAOYSA-N 192.214 1.718 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@]12CCOC2 1880144883 ALXSKHZYJOFLHU-NKWVEPMBSA-N 153.185 1.723 10 10 ADCE [N-]=[N+]=NCCN1CC2CC1C2 1912158304 WMWWMSMGCKLHCC-UHFFFAOYSA-N 152.201 1.391 10 10 ADCE CC1(C(=O)N2CC(N=[N+]=[N-])C2)CCC1 1912204614 BIKIFSCDVDMFGV-UHFFFAOYSA-N 194.238 1.698 10 10 ADCE C[C@H](CO)N1CCC[C@@H](N=[N+]=[N-])CC1 1934377259 LAOJAXDBFWMMAD-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccc(F)cc1O 1951357974 QONWWVIOXCSMPY-ZETCQYMHSA-N 197.169 1.875 10 10 ADCE CC[C@H](C)C(=O)[C@@H]1CCC(=O)C1=O 1954805737 GHOQBXAXJABWAB-BQBZGAKWSA-N 182.219 1.150 10 10 ADCE C[C@H]1CC[C@@H](N)CN1CCCN=[N+]=[N-] 1957245340 WYXVVMKQYRGMIL-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(C(=O)[C@H]2C[C@H]2F)C1 2297025226 FPLZVDQVAQNQEQ-LYFYHCNISA-N 198.201 1.256 10 10 ADCE 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1.488 10 10 ADCE [N-]=[N+]=NCc1cc(N)cc(CN)c1 1887511105 YZTCSMXUWDJAQO-UHFFFAOYSA-N 177.211 1.538 10 10 ADCE CCN(CCN=[N+]=[N-])CCSC 1912152640 WSIUFVQJPGYFKK-UHFFFAOYSA-N 188.300 1.982 10 10 ADCE Cc1nn(CCCCN=[N+]=[N-])c(=O)o1 1912203309 CMVCOTDQQBNPJK-UHFFFAOYSA-N 197.198 1.235 10 10 ADCE C[C@H](O)C[C@H](C)N(C)CCN=[N+]=[N-] 1934013349 NJPVCZQJSDTKMD-YUMQZZPRSA-N 186.259 1.388 10 10 ADCE CC(=O)C(=O)c1c(C)cccc1F 1951589714 KUKJQIQKAMQAIV-UHFFFAOYSA-N 180.178 1.906 10 10 ADCE [N-]=[N+]=NCc1nc2ccc(N)cc2[nH]1 1956946927 GOSXAZPBJKPYSR-UHFFFAOYSA-N 188.194 1.955 10 10 ADCE CCC[C@@H](N)c1ccc(O)cc1O 82726968 KYTWFMDWTQHWHZ-SECBINFHSA-N 181.235 1.898 10 10 ADCE CC1CCC(NC(=O)CN=[N+]=[N-])CC1 104702372 ASFOBGGNKKUNIB-UHFFFAOYSA-N 196.254 1.992 10 10 ADCE Cc1sc2c(c1O)CNCC2 106171358 LJAKWRCXMWBGOB-UHFFFAOYSA-N 169.249 1.408 10 10 ADCE [N-]=[N+]=NCC[C@@H]1CCC[C@@H]1O 130784648 MDHZOEFSYGCRDP-BQBZGAKWSA-N 155.201 1.848 10 10 ADCE C[C@@H]1CC(=O)Oc2c1ccc(O)c2O 141769767 RXURKLGZPXNWJR-RXMQYKEDSA-N 194.186 1.510 10 10 ADCE [N-]=[N+]=NC1=CC[C@H](O)C1 145842658 OFKVYEXCXZFDFO-YFKPBYRVSA-N 125.131 1.335 10 10 ADCE C[C@H](CO)CN(C)c1ccc(N)cc1 161980949 MDWHKRPLSYRNFP-VIFPVBQESA-N 194.278 1.333 10 10 ADCE CN1CCC[C@H]1CN=[N+]=[N-] 200788752 NSHYEOXMFDMZOE-LURJTMIESA-N 140.190 1.391 10 10 ADCE C[C@@H]1OC(=O)/C(=C\O)[C@H]1C 204966934 NUSZIUPLMHUMPN-BIBQTCKCSA-N 142.154 1.010 10 10 ADCE Cc1cc(O)c([C@H](C)N)cc1N 238422367 IYWFCJOHNIMCAE-LURJTMIESA-N 166.224 1.303 10 10 ADCE O=Cc1cc(O)nc(O)c1C(F)F 238679020 ZOBKDSYFYMALEL-UHFFFAOYSA-N 189.117 1.243 10 10 ADCE CN(C)N=Nc1cccnc1C(=O)O 255961628 ABJSYTQJFSOBIO-UHFFFAOYSA-N 194.194 1.340 10 10 ADCE Cc1cc(F)c(O)c([C@H]2CCN2)c1 306588973 TZPXGTRUPIMHHV-SECBINFHSA-N 181.210 1.874 10 10 ADCE Nc1ccc2c(O)c(CO)sc2c1 306966297 LDLYDINVRMVGOB-UHFFFAOYSA-N 195.243 1.681 10 10 ADCE N=C(N)N=Nc1ccc(F)cc1 381917510 JBRMSYAERZWVLP-UHFFFAOYSA-N 166.159 1.803 10 10 ADCE CCCOC(=O)NCCN=[N+]=[N-] 388392428 DAIZGUJUQGHAEW-UHFFFAOYSA-N 172.188 1.433 10 10 ADCE COC(=O)c1cccc(CC=[N+]=N)c1 725407905 BJQIXAFHQRRNDM-UHFFFAOYSA-N 191.210 1.326 10 10 ADCE CN(C)c1ccc(/C=C/CO)cc1F 1535719583 IMGQCPLTRYNZLF-ONEGZZNKSA-N 195.237 1.897 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cnco1 1535764571 YHZXQGJDSBEMTO-SCSAIBSYSA-N 154.129 1.018 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@H]1CCCCO1 1535860055 BYJQWDGMIZJSDH-NKWVEPMBSA-N 171.200 1.227 10 10 ADCE [N-]=[N+]=NCC[S@](=O)C1CC1 1880016448 QSPLXBHCQPJZEY-JTQLQIEISA-N 159.214 1.208 10 10 ADCE C[C@H](N)[C@@H](C)Nc1ccccc1N 1883134859 ZUZVAWLLLAZWCC-JGVFFNPUSA-N 179.267 1.416 10 10 ADCE Cc1cnc(C2=CCCNC2)n1C 1888839741 XFDWRWMDZVZTTJ-UHFFFAOYSA-N 177.251 1.105 10 10 ADCE CC1(Oc2ccc(N)cc2)CC(N)C1 1896269122 QPACIPYLCFYRPZ-UHFFFAOYSA-N 192.262 1.527 10 10 ADCE CC(=S)C=C(C)O 1911601075 IOBBRMMNXUURSJ-UHFFFAOYSA-N 116.185 1.838 10 10 ADCE C[C@@]1(C(=O)N2CC(N=[N+]=[N-])C2)C[C@@H]1F 1912168348 UDZCOAUGFVJLGP-POYBYMJQSA-N 198.201 1.256 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2CCC[C@H]21 1912179581 VXPIWAAAUDLWMH-RNFRBKRXSA-N 180.211 1.308 10 10 ADCE [N-]=[N+]=NCCN1C(=O)[C@@H]2CCCC[C@H]21 1912182431 BNPQUAHPVATOMP-HTQZYQBOSA-N 194.238 1.698 10 10 ADCE COC[C@@](C)(N)c1ccc(C)cc1O 1951666543 XERLBDYBNIVULC-LLVKDONJSA-N 195.262 1.521 10 10 ADCE [N-]=[N+]=NCCCN1CC(CF)C1 1953476216 XRKIEBOYPYJTNP-UHFFFAOYSA-N 172.207 1.588 10 10 ADCE C[C@H]1C[C@H](N)CCN1CCN=[N+]=[N-] 1954206056 AAUIBTBLDPZPEB-JGVFFNPUSA-N 183.259 1.108 10 10 ADCE CNCCC=C(C)c1nc(C)cn1C 1954992704 KPQQLHFCUSAKAS-UHFFFAOYSA-N 193.294 1.741 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])CC[C@@H]1CO 1956314590 JEUHZYNJHSDVHG-RKDXNWHRSA-N 198.270 1.247 10 10 ADCE Cc1ccc(O)c([C@H](C)N)c1 24863145 WZNMCVYFCNZJBV-ZETCQYMHSA-N 151.209 1.720 10 10 ADCE CN(C)c1ccc2c(c1)CC[C@@H]2N 35032502 XOUANLILGOPKLH-NSHDSACASA-N 176.263 1.699 10 10 ADCE Cn1cccc1C(=O)NCCN=[N+]=[N-] 42012509 MXNITGRMYNZGCM-UHFFFAOYSA-N 193.210 1.065 10 10 ADCE CC[C@@H]1COCCN1CCN=[N+]=[N-] 42415979 CAMLDDPKLXWAOF-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE C[S@](=O)CCCN=[N+]=[N-] 42416712 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ADCE Nc1c(C(F)(F)F)ccc(O)c1O 2055141717 GTQXAQNESALDMP-UHFFFAOYSA-N 193.124 1.699 10 10 ADCE CCc1ccc(O)c(O)c1OC 2060112130 GUXIAFVRRQBGLA-UHFFFAOYSA-N 168.192 1.669 10 10 ADCE NC1(c2ccc3[nH]ccc3c2O)CC1 89204420 DOHSZPNDZREMSC-UHFFFAOYSA-N 188.230 1.821 10 10 ADCE CC[C@@H](N)c1ccc(F)cc1O 95671771 XEZZXPWFUDUEJJ-MRVPVSSYSA-N 169.199 1.941 10 10 ADCE C[C@H](N)c1cc(F)c(F)cc1O 95685792 JVAOWFJPZYTSCV-BYPYZUCNSA-N 173.162 1.690 10 10 ADCE [N-]=[N+]=NCC(=O)c1ccc(O)cc1O 130737420 POMCCPFMCGVAPE-UHFFFAOYSA-N 193.162 1.591 10 10 ADCE Cc1nc(Oc2ccc(N)cc2)no1 211507966 BIPUMPAHHYHYAN-UHFFFAOYSA-N 191.190 1.753 10 10 ADCE CC1(C)C[C@H](CN=[N+]=[N-])OC1=O 211603881 NIBCWYMDNMEBPX-RXMQYKEDSA-N 169.184 1.638 10 10 ADCE C/C=C/C=C1/SC(=S)NC1=O 238007303 YOCZTPYXMJKSGT-MQQKCMAXSA-N 185.273 1.594 10 10 ADCE CC(C)(N)c1c(O)cccc1O 238147117 NAOLBZQRFWLPKJ-UHFFFAOYSA-N 167.208 1.292 10 10 ADCE Cc1cc(O)c2c(c1)OC[C@@H]2N 238492797 XRTHIQQJKAMNPN-LURJTMIESA-N 165.192 1.093 10 10 ADCE N[C@H](c1ccccc1O)[C@@H]1CCOC1 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Nc1ccc(N2O[C@H]3CC[C@H]2C3)cc1 2241378679 WBYKVFDHIXPEFX-QWRGUYRKSA-N 190.246 1.942 10 10 ADCE C[C@@H]1CCN[C@@H]1c1ccc(O)c(O)c1 82892575 KDAZDPGVOAIHTM-HQJQHLMTSA-N 193.246 1.768 10 10 ADCE Cc1ccc(O)c([C@H](C)NO)c1 131993034 SOCVZTDUCZYYQA-ZETCQYMHSA-N 167.208 1.740 10 10 ADCE C[C@H]1C[C@@H](N=[N+]=[N-])N(C)C(=S)N1 139073438 SCRZJFJMXYOTCP-WHFBIAKZSA-N 185.256 1.221 10 10 ADCE CC1(C)CC(=O)C(=O)C[C@@]1(C)C(=O)O 238176000 ZKNMRNBGZIJDEE-JTQLQIEISA-N 198.218 1.036 10 10 ADCE Cc1ccc(O)c(CN2CCOC2)c1 238528172 DESQGFBOFWDXQM-UHFFFAOYSA-N 193.246 1.490 10 10 ADCE Cc1cccc([C@H](N)CF)c1O 238546776 QUEZFVVPHHNKBA-MRVPVSSYSA-N 169.199 1.670 10 10 ADCE CCOC(=O)/C(=C\O)c1ccccn1 308617776 BJTCGONZEUGSIW-FPLPWBNLSA-N 193.202 1.544 10 10 ADCE Cc1ccc2c(c1O)[C@H](N)CO2 713760342 OURIBWMPVOIYLJ-ZCFIWIBFSA-N 165.192 1.093 10 10 ADCE [N-]=[N+]=NCc1ccn2cnnc2c1 1882815922 WWVQTMFNTXBABK-UHFFFAOYSA-N 174.167 1.540 10 10 ADCE CCN(CCN=[N+]=[N-])C[C@@H]1C[C@@H]1OC 1887716795 CAZXAKQFZSCEMS-IUCAKERBSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NC[C@@H]1NCCCn2cccc21 1912152289 RBTXJWYDGJCDEG-QMMMGPOBSA-N 191.238 1.833 10 10 ADCE CO[C@H](CN=[N+]=[N-])[C@H]1CCOC1 1912172614 GJDBEEYVMZHVKB-NKWVEPMBSA-N 171.200 1.348 10 10 ADCE N[C@@H](c1ccccc1O)C1(O)CCC1 1929438179 JVBGWYMXVALMIM-JTQLQIEISA-N 193.246 1.307 10 10 ADCE N[C@]1(c2ccccc2O)C=CCC1 1933865538 CDJZCVTXVYTFRU-LLVKDONJSA-N 175.231 1.896 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CC[C@H](O)CC1 1955473404 GWZAECWZVJSNHD-KYZUINATSA-N 198.270 1.532 10 10 ADCE CN(C)c1ccc(C=CC(=O)O)cc1 2053471671 CQNPVMCASGWEHM-UHFFFAOYSA-N 191.230 1.850 10 10 ADCE CCOC(=O)/C=C/[C@@H](N=[N+]=[N-])[C@H](C)O 36459506 UUJGMQPHJPNTLV-LYNIJRAASA-N 199.210 1.165 10 10 ADCE CCCCNC(=O)NCCN=[N+]=[N-] 42012715 QNMQAQBWWIIAAJ-UHFFFAOYSA-N 185.231 1.396 10 10 ADCE CC[C@H](C)C(=O)CN=[N+]=[N-] 130740654 SMHGVASMVHGPLF-YFKPBYRVSA-N 141.174 1.912 10 10 ADCE CCOc1cccc(CNOC)c1O 134242630 CPBPPKPQKDEBLQ-UHFFFAOYSA-N 197.234 1.442 10 10 ADCE C[C@H](O)[C@@H]1CCN(CCCN=[N+]=[N-])C1 156860077 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ADCE CC[C@@H](N)COc1ccc(N)cc1 1883787410 AFYHQURTDYAYGD-MRVPVSSYSA-N 180.251 1.385 10 10 ADCE CC(=O)C(=O)[C@]1(O)C[C@H](C)CC[C@H]1C 1929138227 ZJIBXSNJJWYDLL-XLDPMVHQSA-N 198.262 1.332 10 10 ADCE N[C@H](c1ccccc1O)C1(O)CCC1 1929438180 JVBGWYMXVALMIM-SNVBAGLBSA-N 193.246 1.307 10 10 ADCE [N-]=[N+]=N[C@@H]1CCCN(CC(=O)O)CC1 1934376049 HMRGPTORFIWCTD-SSDOTTSWSA-N 198.226 1.236 10 10 ADCE CO[C@H](C(=O)C(C)=O)c1ccccc1 1951516180 JIAQTJYSSKFCGH-NSHDSACASA-N 192.214 1.532 10 10 ADCE CC(=O)C(=O)c1cc(O)ccc1F 1951527988 GCYHDABDMCZHST-UHFFFAOYSA-N 182.150 1.303 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)CCC1CC1 1954361061 ZFCPCECPSAJWSH-JTQLQIEISA-N 184.235 1.086 10 10 ADCE [N-]=[N+]=NCc1cc([N+](=O)[O-])ccc1N 1956285941 UVRXRSZZTIORLT-UHFFFAOYSA-N 193.166 1.987 10 10 ADCE COc1ccc(N(C)CCO)c(F)c1 2209622886 JGKAGXWJPOVLGB-UHFFFAOYSA-N 199.225 1.263 10 10 ADCE CN=c1cc(CN=[N+]=[N-])cc(OC)[nH]1 2242456397 RDLLIJJORIRJKC-UHFFFAOYSA-N 193.210 1.364 10 10 ADCE C[C@@H]1C[C@@H]1C(=O)N(C)CCN=[N+]=[N-] 2297025361 MOXGHCYNKLLNKP-RQJHMYQMSA-N 182.227 1.411 10 10 ADCE Cc1cc(N)c(C)c(CN)c1O 29217306 IWQPRQJZFRXLOW-UHFFFAOYSA-N 166.224 1.050 10 10 ADCE CCN1CCOc2cc(CN)ccc21 74338492 UCCFDTAQMFQPHG-UHFFFAOYSA-N 192.262 1.364 10 10 ADCE CCC(=O)C(=O)C1CCCC1 84426818 QHRBKXRRWMDGOH-UHFFFAOYSA-N 154.209 1.725 10 10 ADCE CC[C@H]1CS[C@H](CN=[N+]=[N-])N1 87605648 VYXVWBSYUZYCHH-NTSWFWBYSA-N 172.257 1.738 10 10 ADCE CNCc1cc2c(cc1O)CCCC2 108301789 RBFSEKMQRHMQBH-UHFFFAOYSA-N 191.274 1.990 10 10 ADCE CC[C@H](C)OC(=O)CN=[N+]=[N-] 108412496 PMGPPAIJOGZZQQ-YFKPBYRVSA-N 157.173 1.638 10 10 ADCE Oc1c(F)cccc1CNC1COC1 159153686 FTOAQGBAMDQTGY-UHFFFAOYSA-N 197.209 1.020 10 10 ADCE [N-]=[N+]=NCCOCCF 200666473 PIMBESBKSSIJTC-UHFFFAOYSA-N 133.126 1.283 10 10 ADCE Cc1nn(C)cc1[C@@H](O)CN=[N+]=[N-] 215857039 UIVMGWILUKWYQY-ZETCQYMHSA-N 181.199 1.072 10 10 ADCE Nc1cc(F)cc(C2(N)CCC2)c1O 238602395 FBHWDTNHEFQXID-UHFFFAOYSA-N 196.225 1.451 10 10 ADCE [N-]=[N+]=NCCC(=O)Nc1ccncc1 238634360 BRGWXFFIMNPRJX-UHFFFAOYSA-N 191.194 1.721 10 10 ADCE C[C@](F)(CN)c1ccc(O)c(O)c1 257865698 WZXDOTQPVYHJDE-VIFPVBQESA-N 185.198 1.241 10 10 ADCE [N-]=[N+]=N[C@H]1[C@H]2C=C[C@H]1[C@@H](O)C2 306372268 IASNAWHGGJWPBP-AXMZGBSTSA-N 151.169 1.232 10 10 ADCE CC(C)ONCc1cccc(O)c1O 382131181 XBHWLHLLIPHKTD-UHFFFAOYSA-N 197.234 1.527 10 10 ADCE C[C@@H]1COC[C@H]1N(C)CCN=[N+]=[N-] 688219596 XDMIBHOWODLENW-HTQZYQBOSA-N 184.243 1.263 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@]12COC[C@@H]1C2 689366544 WLNKNTMGCSYINL-IUCAKERBSA-N 196.254 1.265 10 10 ADCE Cc1cccc([C@H](N)C(C)(C)O)c1O 1951474470 BJFCOZJAHPIHNO-JTQLQIEISA-N 195.262 1.471 10 10 ADCE CS[C@@H](CN)c1ccc(O)c(O)c1 1952235624 FUWVUDRBSQNAEQ-VIFPVBQESA-N 199.275 1.461 10 10 ADCE [N-]=[N+]=NC[C@H]1NC2(CCC2)CO1 1953586140 JUSBJDZAWJWRBV-LURJTMIESA-N 168.200 1.165 10 10 ADCE CCC(CC)C(=O)CC(=O)C(C)=O 1954815695 WLWPGZWYILYLSZ-UHFFFAOYSA-N 184.235 1.540 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@@H]1CN 1957243171 CSSSTUJTOHBEJG-IUCAKERBSA-N 197.286 1.213 10 10 ADCE CNCc1cc(OC)ccc1N(C)C 2209738493 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CC[C@H](C(C)C)[C@@H](O)C(=O)C(C)=O 1883041880 LMGPKXNDHYFUGI-PSASIEDQSA-N 186.251 1.188 10 10 ADCE C[C@H]1OCC[C@H]1CN(C)CCN=[N+]=[N-] 1884942991 WXSIWPVWWQQZKM-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE CC=CC(=O)NCc1ccc(N)cc1 1927714562 BDEIQXFCSSCFAL-UHFFFAOYSA-N 190.246 1.461 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1csc(C)c1 1929186537 ZVVHQNMZXKKJME-VIFPVBQESA-N 198.243 1.248 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@@]12CC[C@@H]1C2 1935492663 CMCWGGDUBAZPER-VXNVDRBHSA-N 194.238 1.603 10 10 ADCE COc1ccc([C@@]2(N)C[C@@H]2C)c(O)c1 1951730078 FLHJLTUBPZKBLE-WRWORJQWSA-N 193.246 1.595 10 10 ADCE CN[C@@H](CF)c1cccc(OC)c1O 1952572968 JDZQXSRZVHFRPB-QMMMGPOBSA-N 199.225 1.631 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC2(CCC2)[C@H]1O 1953736287 YSLXUSUCINFBMI-RQJHMYQMSA-N 167.212 1.990 10 10 ADCE C[C@H](CN(C)C)CN1CC(N=[N+]=[N-])C1 2209421848 DJQBXVDHQSYTMB-MRVPVSSYSA-N 197.286 1.179 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])CCCO1 61932336 DYPQHVDVCRQGDP-QMMMGPOBSA-N 184.243 1.408 10 10 ADCE [N-]=[N+]=N[C@@H]1COc2ccccc2[C@@H]1O 130775729 ILNSDMKEPMNFSL-APPZFPTMSA-N 191.190 1.791 10 10 ADCE CCON[C@@H](C)c1c(O)cccc1O 233780181 VPAQOINBAGVSLN-ZETCQYMHSA-N 197.234 1.700 10 10 ADCE C[Si]1(C)C[C@H](O)[C@@H](N=[N+]=[N-])C1 238460719 AUVQZUJKQHOBGV-WDSKDSINSA-N 171.276 1.748 10 10 ADCE CN(C)c1ccc2c(c1)OCCCO2 259982368 IUKCQXTXLMMLHK-UHFFFAOYSA-N 193.246 1.914 10 10 ADCE C/N=N/C(C)(C)CC(C)=O 307289827 ZLQCALYXDVPYDB-CMDGGOBGSA-N 142.202 1.826 10 10 ADCE Oc1c(F)cccc1CNCCF 308201002 VDOUNMXQTHJTNJ-UHFFFAOYSA-N 187.189 1.590 10 10 ADCE CC(C)[C@](N)(CO)c1ccccc1O 714093030 KHOIVJZALDCMBE-LLVKDONJSA-N 195.262 1.195 10 10 ADCE [N-]=[N+]=NCCN(CCN)C1CCCC1 1886863890 JDFKVNVIOFZMQX-UHFFFAOYSA-N 197.286 1.500 10 10 ADCE CC(=O)C(=O)[C@@H](O)CCC1(C)CC1 1889886893 WRHQPPYHSMCTGK-QMMMGPOBSA-N 184.235 1.086 10 10 ADCE CC(C)CN(CCN=[N+]=[N-])C1COC1 1890832583 GQDDSKDGMKANCA-UHFFFAOYSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NCCCNC(=O)[C@]12CC[C@H]1C2 1935498768 CMCWGGDUBAZPER-CBAPKCEASA-N 194.238 1.603 10 10 ADCE O=C1CC[C@@H](c2ccc(O)c(O)c2)O1 1951853796 IJKOGORHUIDAEI-VIFPVBQESA-N 194.186 1.476 10 10 ADCE CC(C)CN(CCN)CCN=[N+]=[N-] 1954208232 KKRBMINTTZCBMM-UHFFFAOYSA-N 185.275 1.213 10 10 ADCE C[C@H]1C[C@H](N)CN1CCCN=[N+]=[N-] 1954208649 QJRGZDYCJWHCFZ-YUMQZZPRSA-N 183.259 1.108 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CC[C@@H](O)CC1 1955473403 GWZAECWZVJSNHD-DTORHVGOSA-N 198.270 1.532 10 10 ADCE OCc1ccc(N2CC=C(F)C2)cc1 1956227441 DPWAGPSNFKCSRS-UHFFFAOYSA-N 193.221 1.852 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H](CN)C1CC1 1957250356 PSDDDCDBGYLWII-SECBINFHSA-N 197.286 1.356 10 10 ADCE C[C@H]1CN[C@H](C)CN(CCN=[N+]=[N-])C1 1957251197 ZBDRFQAABZNBOW-DTWKUNHWSA-N 197.286 1.227 10 10 ADCE Cc1ncc([C@H](O)CN=[N+]=[N-])s1 2241638235 VJSDJDUBHAVHCS-RXMQYKEDSA-N 184.224 1.795 10 10 ADCE CC[C@@H]1C(=O)C(=O)C[C@H]1C 12359515 PJGUAPZBKDQAHE-RITPCOANSA-N 140.182 1.191 10 10 ADCE Oc1ccc(CNC2CC2)c(O)c1 21963249 OUUXRCUBNJLXTI-UHFFFAOYSA-N 179.219 1.350 10 10 ADCE Cc1cc(O)c(CN)c(C)c1C 29218436 MKOQSDKTYHSMEO-UHFFFAOYSA-N 165.236 1.776 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCCN1C 86189780 AKNTVGLVLSJYTK-VIFPVBQESA-N 197.286 1.323 10 10 ADCE CCOCc1ccc(O)c(CNC)c1 107361923 DTBKBRMDYJGVSF-UHFFFAOYSA-N 195.262 1.648 10 10 ADCE CCN(CC)c1ccc(O)c(O)c1 148597874 HXCJEEZVFCYIRB-UHFFFAOYSA-N 181.235 1.944 10 10 ADCE Cc1conc1/N=N/N(C)C 197909166 GMGXLEBBWNRKTC-VQHVLOKHSA-N 154.173 1.543 10 10 ADCE COCCSc1ncc(N)s1 226768060 OAPBFJHXURIGHH-UHFFFAOYSA-N 190.293 1.464 10 10 ADCE CC(C)COCCN=[N+]=[N-] 232692975 JDJHOSCQNHRGER-UHFFFAOYSA-N 143.190 1.969 10 10 ADCE CO[C@@H]1OCC[C@@H](N=[N+]=[N-])[C@H]1N=[N+]=[N-] 306200310 IFVHXOIRWVHTTR-HSUXUTPPSA-N 198.186 1.737 10 10 ADCE CC[C@@](C)(CN)c1ccn(C)c(=O)c1 306410914 MJAAELQMPPHRTB-NSHDSACASA-N 194.278 1.012 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)C1(C)CC1 1887713206 YCYXIMUSDRYYFA-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE CO[C@@H]1CCC[C@H]1N1CC(N=[N+]=[N-])C1 1912164797 CVBRDPLVYMCZLH-RKDXNWHRSA-N 196.254 1.548 10 10 ADCE CC(C)[C@H](NN)c1ccccc1O 1928481227 STBPBDFQAWPDHR-JTQLQIEISA-N 180.251 1.553 10 10 ADCE Cc1cccc(N)c1N[C@H]1CC[C@@H]1O 1955651147 XUQCLIFOQMMETK-UWVGGRQHSA-N 192.262 1.512 10 10 ADCE Nc1ccc(NCc2cnco2)cc1 1955766982 BAOHTCIJSVIPLC-UHFFFAOYSA-N 189.218 1.869 10 10 ADCE C[C@H](N)[C@@H](N)c1ccc(N(C)C)cc1 1956171411 ZDTUHOIAVTYQIW-GZMMTYOYSA-N 193.294 1.100 10 10 ADCE CCN(CCCCN=[N+]=[N-])C1CNC1 1957247279 NYHQARMSKKERSC-UHFFFAOYSA-N 197.286 1.371 10 10 ADCE CCc1cc(N)c(O)c(O)c1 2055136563 NFJDCJYFDOABQE-UHFFFAOYSA-N 153.181 1.242 10 10 ADCE CCCCC=[N+]=[N-] 34497392 HSIXZGAHLLBZIH-UHFFFAOYSA-N 98.149 1.477 10 10 ADCE Nc1ccc(Oc2nccnn2)cc1 40542908 MPURMBHMBDYJNT-UHFFFAOYSA-N 188.190 1.246 10 10 ADCE Cc1ccc(O)c(CNCCCN)c1 70955242 BWRJNGUUSDNEDL-UHFFFAOYSA-N 194.278 1.139 10 10 ADCE CC(C)C(=O)C(=O)C1CCCC1 84428993 YTARKKAHVRSCAX-UHFFFAOYSA-N 168.236 1.971 10 10 ADCE COC(=O)[C@@H](C)[C@H](C)N=[N+]=[N-] 86308995 IJXRQPANLOOEMG-WHFBIAKZSA-N 157.173 1.494 10 10 ADCE Nc1ccc(-n2ccnc2CF)cc1 107255615 MXXLJBRHZOUUER-UHFFFAOYSA-N 191.209 1.924 10 10 ADCE ONCc1c(O)ccc(Cl)c1F 214665620 ZCMAZXXZWNODCI-UHFFFAOYSA-N 191.589 1.664 10 10 ADCE Nc1ccc(O[C@@H]2CCCOC2)cc1 224766401 NMFFMGJYXYKKEF-LLVKDONJSA-N 193.246 1.827 10 10 ADCE C[C@H](Nc1ccccc1N)[C@@H](C)CO 228695929 PBSFETYRLPVXOT-IUCAKERBSA-N 194.278 1.698 10 10 ADCE CC1(C)[C@@H]2COC(=O)/C(=C/O)[C@H]21 306575345 SMBCTICYQRFHME-DSDBXFMUSA-N 168.192 1.257 10 10 ADCE CC1=CC=C/C(=C(/N)N=N)N1 307212380 VNSARWIGKWIBTK-GYPIOSDVSA-N 150.185 1.208 10 10 ADCE C[C@H]1C[C@H](CO)CN(CCN=[N+]=[N-])C1 398866073 XRVZRFMDACGFHR-IUCAKERBSA-N 198.270 1.247 10 10 ADCE C[C@@H]1COC[C@@H](C)N1CCCN=[N+]=[N-] 688909367 AEWKYYYLBOSNAY-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CCN1CCN(CCN=[N+]=[N-])C1=O 689022850 GMBOJEJMGSTNSM-UHFFFAOYSA-N 183.215 1.054 10 10 ADCE CC[C@@H]1CN(CCN=[N+]=[N-])C[C@H](C)O1 689142994 JWZOGEAIYHIYHT-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H](O)C[C@H]1C2 710442610 MWPORGWLSUODJN-HLTSFMKQSA-N 196.254 1.142 10 10 ADCE C[C@@H](F)CN1CC[C@H](CN=[N+]=[N-])C1 1881792813 KBKWZTHAQKYKFG-HTQZYQBOSA-N 186.234 1.977 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2CC=CC[C@@H]21 1881832234 GOVAJPARMISCTE-BDAKNGLRSA-N 178.239 1.947 10 10 ADCE CCOC(=O)C(F)(F)CCN=[N+]=[N-] 1882111347 WYXJYNIJUTWHHY-UHFFFAOYSA-N 193.153 1.885 10 10 ADCE CC[C@H](N)CN(C)c1ccc(N)cc1 1888891374 CWWJCAXVRQSJJN-VIFPVBQESA-N 193.294 1.442 10 10 ADCE CCCCC[C@@](C)(O)C(=O)C(C)=O 1929124341 MHANUZKKIXIWRC-SNVBAGLBSA-N 186.251 1.476 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1c(O)cccc1O 1951358072 RYTMVXUTPQHRJU-RXMQYKEDSA-N 195.178 1.442 10 10 ADCE COc1cc(CN=[N+]=[N-])cc(OC)n1 1955053623 UAHMLFFCPWJXHC-UHFFFAOYSA-N 194.194 1.909 10 10 ADCE CC1(C)CN(CCCN=[N+]=[N-])C[C@H]1N 1957242925 CDDJZUNBCFLTBZ-MRVPVSSYSA-N 197.286 1.356 10 10 ADCE C[C@@H]1CCNC[C@@H]1N(C)CCN=[N+]=[N-] 1957242933 CFDUGXSTPRPEKG-BDAKNGLRSA-N 197.286 1.227 10 10 ADCE Cn1ccc2cc(O)c(O)cc21 5161590 VXOSJAYSAUDUOR-UHFFFAOYSA-N 163.176 1.590 10 10 ADCE NCCCCc1ccc(O)c(O)c1 35994483 HYUZDHUWLUSNER-UHFFFAOYSA-N 181.235 1.379 10 10 ADCE CC[C@H](/C=C/C(=O)OC)N=[N+]=[N-] 38973262 WNMGBCZXWLVJMK-BMMSZFGTSA-N 169.184 1.805 10 10 ADCE c1ccc(-c2ccc3n2CCNC3)nc1 82383702 IHVBBLNCGXBTJJ-UHFFFAOYSA-N 199.257 1.653 10 10 ADCE Oc1csc2cc[nH]c12 104612245 YIWNATDNVZSNIW-UHFFFAOYSA-N 139.179 1.935 10 10 ADCE CC[C@H](NN)c1ccc(N(C)C)cc1 126857934 CAIVQEYQMSDSBU-NSHDSACASA-N 193.294 1.667 10 10 ADCE C[C@@H](O)[C@@H](N)c1cc(S)ccc1O 238418495 QACOYJDBZJISMM-MLUIRONXSA-N 199.275 1.062 10 10 ADCE O=C1CC23CCC2(CC3)C1=O 238617694 QNMSIHVWLWSIIC-UHFFFAOYSA-N 150.177 1.089 10 10 ADCE COC1=C(C)C=C/C(=C(\O)N=N)N1 379339494 DCEOTDJUCFBVCY-GYPIOSDVSA-N 181.195 1.782 10 10 ADCE COc1ccc([C@H](N)CCF)c(O)c1 575438876 DUXNIXGVKXQSQM-SECBINFHSA-N 199.225 1.760 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 1888533903 UWVZNTIYWZZRLZ-LRPJSKTQSA-N 192.266 1.883 10 10 ADCE COCC[C@H](C)N1CC[C@@H](N=[N+]=[N-])C1 1912165873 PULKILFMIODNKC-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](O)C2(CC2)C1 1912188122 MOCQQZRCGVOMQL-MRVPVSSYSA-N 196.254 1.144 10 10 ADCE Cc1c[nH]nc1CCN=[N+]=[N-] 1951477302 VKYBTEVQFLSWCH-UHFFFAOYSA-N 151.173 1.571 10 10 ADCE COC[C@](C)(N)c1ccc(F)cc1O 1951668105 URIIETVGUMNUHC-JTQLQIEISA-N 199.225 1.352 10 10 ADCE CCC[S@@](=O)CCCN=[N+]=[N-] 42416639 RXAQFWGUGUJZRW-NSHDSACASA-N 175.257 1.846 10 10 ADCE CCN(CC)C(=O)NCCN=[N+]=[N-] 85960073 ZCMBLSQEJBWTKN-UHFFFAOYSA-N 185.231 1.348 10 10 ADCE [N-]=[N+]=N[C@H]1COc2ccccc2[C@@H]1O 130776144 ILNSDMKEPMNFSL-CBAPKCEASA-N 191.190 1.791 10 10 ADCE [N-]=[N+]=NCN=[N+]=[N-] 139651004 WBUWDDRQOFKUGD-UHFFFAOYSA-N 98.069 1.565 10 10 ADCE COC(=O)[C@@H]1C[C@H](N=[N+]=[N-])[C@H](OC)C1 206219614 PJJPXZIZFAQCON-DSYKOEDSSA-N 199.210 1.263 10 10 ADCE COC(=O)[C@@H]1CCC[C@H]1N=[N+]=[N-] 206229537 KKROTWHRMAKDNY-PHDIDXHHSA-N 169.184 1.638 10 10 ADCE CCn1cc([C@H](O)CN=[N+]=[N-])cn1 215853495 KDLPFYGECAVFOY-SSDOTTSWSA-N 181.199 1.247 10 10 ADCE [N-]=[N+]=N[C@@H]1CC[C@H]2CC(=O)O[C@@H]21 224385124 QWZKELBBYDSIJR-BFHQHQDPSA-N 167.168 1.391 10 10 ADCE CN1CCc2cc(O)cc(O)c2C1 238339629 DQRNPHSQTMEWGJ-UHFFFAOYSA-N 179.219 1.086 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2C[C@H]1N 238601736 MISPEXIDLLHOFM-NXEZZACHSA-N 188.234 1.791 10 10 ADCE N[C@@H]1CCCc2ccc(F)c(O)c21 238609079 SLSHWBBJCVHTLR-MRVPVSSYSA-N 181.210 1.867 10 10 ADCE Nc1ccc(NCCF)cc1 306320331 HXMHZMNKTKJBPF-UHFFFAOYSA-N 154.188 1.650 10 10 ADCE CCOC(=O)/C=C/C=C\CN=[N+]=[N-] 383703554 PSJWWRIUQZLUNI-CIIODKQPSA-N 181.195 1.972 10 10 ADCE C[C@@H]1CO[C@@H](CN=[N+]=[N-])N[C@@H]1C 885318757 CQQSJQOJXQSVDZ-QYNIQEEDSA-N 170.216 1.267 10 10 ADCE CC(C)[C@]1(C)CN[C@H](CN=[N+]=[N-])O1 885456414 OXEMNHHIVQOWFQ-YUMQZZPRSA-N 184.243 1.657 10 10 ADCE CN(CCN=[N+]=[N-])[C@]1(C)CCOC1 1881852911 BJWYDRNTBOYENJ-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE Nc1ccc(OC[C@@H](N)C2CC2)cc1 1896320961 IILSMXXPRIBQIX-LLVKDONJSA-N 192.262 1.385 10 10 ADCE C[C@H]1CNCCCN1CCCN=[N+]=[N-] 1905971886 GJVPOGUIJQNMML-VIFPVBQESA-N 197.286 1.371 10 10 ADCE OC=Cc1ccc(O)c(O)c1 1911973105 OUWKTIRCGDAGJB-UHFFFAOYSA-N 152.149 1.627 10 10 ADCE COC[C@@H](C)[C@@H](N)c1ccccc1O 1924025303 WEFCICNZBVEIAR-LDYMZIIASA-N 195.262 1.675 10 10 ADCE CC(=O)C(=O)[C@]1(O)C=CCCC1(C)C 1934325135 AKDJTKHNHVJXCH-LLVKDONJSA-N 196.246 1.252 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1cncc(O)c1 1951476971 PHPSYUNJRYTZLV-SSDOTTSWSA-N 180.167 1.131 10 10 ADCE C[C@H]1C[C@]1(CN)c1cccc(O)c1O 1951960985 DVOIJWJVIPSWMP-WRWORJQWSA-N 193.246 1.334 10 10 ADCE O=C1C[C@@H]2CC(F)(F)C[C@@H]2C1=O 1953511479 ZSLGSJXQGGHVQH-UHNVWZDZSA-N 174.146 1.190 10 10 ADCE CC[C@H](C)C(=O)[C@H]1CCC(=O)C1=O 1954805739 GHOQBXAXJABWAB-NKWVEPMBSA-N 182.219 1.150 10 10 ADCE [N-]=[N+]=NCCCNC1CC1 2081116517 NOZBWEYGMJWFPK-UHFFFAOYSA-N 140.190 1.439 10 10 ADCE CC[C@H](N)Cc1cccc(O)c1O 44399489 SSLZYHLJZCSOJY-QMMMGPOBSA-N 181.235 1.378 10 10 ADCE Oc1ccccc1[C@H]1CCOCCN1 82892707 NYHWOKZLXVCDFI-SNVBAGLBSA-N 193.246 1.443 10 10 ADCE [N-]=[N+]=NC1(CO)CCCC1 90726840 VNUUEMVKDBAIBU-UHFFFAOYSA-N 141.174 1.602 10 10 ADCE CNCc1cccc(COC)c1O 107342109 GWHFBFHZUUEVHI-UHFFFAOYSA-N 181.235 1.258 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H](C)N1C 127826007 GBTMJJGZVOOODJ-RKDXNWHRSA-N 197.286 1.321 10 10 ADCE O=C1CC[C@H](c2ccccc2)C1=O 136952295 PLQPJDWMIRZCOH-SECBINFHSA-N 174.199 1.702 10 10 ADCE COC(=O)C(N=[N+]=[N-])=C1CC1 196609734 JJPMTCKNFXCBFI-UHFFFAOYSA-N 153.141 1.518 10 10 ADCE Cc1cc(C2(N)CC2)c(O)cc1O 214209605 YCLDXATWJXDOFO-UHFFFAOYSA-N 179.219 1.354 10 10 ADCE CC1(C)CO[C@H](CN=[N+]=[N-])CO1 218330419 VAIRQGYRCZFWJZ-ZCFIWIBFSA-N 171.200 1.491 10 10 ADCE CCc1cc(N)c(O)c([C@@H](C)N)c1 238332769 BMMBNCWPKYYQGS-ZCFIWIBFSA-N 180.251 1.557 10 10 ADCE CCn1ccc(C[C@@H](C)NC)cc1=O 257810105 AEGMKWLDUINXGB-SECBINFHSA-N 194.278 1.019 10 10 ADCE CNC[C@@H](c1ccccc1O)N(C)C 257888658 WRYFSBSZAFJRKJ-JTQLQIEISA-N 194.278 1.214 10 10 ADCE CCON(C)c1ccc(N)cc1 306969475 PRNGFHONMOSUIP-UHFFFAOYSA-N 166.224 1.657 10 10 ADCE C/C=C(/N=[N+]=[N-])N(C)C 307467949 LTDCNORHIGZBDJ-PLNGDYQASA-N 126.163 1.720 10 10 ADCE CN1CC[C@@H](N(C)CCCN=[N+]=[N-])C1 379646487 YONVNSNNVBBWAJ-SECBINFHSA-N 197.286 1.323 10 10 ADCE C[C@H](O)C1CN(c2ccc(N)cc2)C1 719810715 NMNGYRRSHYPVGM-QMMMGPOBSA-N 192.262 1.086 10 10 ADCE Cc1cccc(O)c1CN1CCC1 1237483775 SZDYBZIHHNUSJO-UHFFFAOYSA-N 177.247 1.906 10 10 ADCE NCC1(Cc2cccc(O)c2O)CC1 1535735760 TZRQIFFXPBWVIY-UHFFFAOYSA-N 193.246 1.379 10 10 ADCE CC[C@H](CN)Nc1ccc(N)cc1 1883133063 AKPIAEQDIKZHPL-SECBINFHSA-N 179.267 1.418 10 10 ADCE N[C@H](c1ccccc1O)C1(F)CC1 1884221066 VUFMFNYTAMIBCC-SECBINFHSA-N 181.210 1.894 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CCC2(O)CC2)C1 1884571981 QDLNWNIFGZSUOC-MRVPVSSYSA-N 196.254 1.286 10 10 ADCE CCN(C)C(=O)N1CC(N=[N+]=[N-])C1 1912184084 CAABSKBWICAVCH-UHFFFAOYSA-N 183.215 1.053 10 10 ADCE C[C@H]1COC[C@@]1(N)c1ccccc1O 1928467518 LHIPBXIMZGYJMF-KWQFWETISA-N 193.246 1.213 10 10 ADCE COCCC[C@@H](N)c1ccccc1O 1928471882 MCLXEWGYVBQUHV-SNVBAGLBSA-N 195.262 1.819 10 10 ADCE [N-]=[N+]=N[C@H]1CCC2(CCC2)[C@H]1O 1953736284 YSLXUSUCINFBMI-BQBZGAKWSA-N 167.212 1.990 10 10 ADCE CO[C@@H](C)CCN(C)CCN=[N+]=[N-] 1954869034 LQLMVOAUULEUBA-QMMMGPOBSA-N 186.259 1.654 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C[C@@H]1CN 1957243166 CSSSTUJTOHBEJG-BDAKNGLRSA-N 197.286 1.213 10 10 ADCE Cc1ccoc1C(=O)NCCN=[N+]=[N-] 42012187 GEKFCRQIIFSMGF-UHFFFAOYSA-N 194.194 1.628 10 10 ADCE CC(C)(C)CC(=O)NCCN=[N+]=[N-] 42012342 GNDHQJSKDMNJPH-UHFFFAOYSA-N 184.243 1.849 10 10 ADCE Nc1cc([C@H]2CCCN2)c(O)cc1F 72201720 CEWUBYLDFZDRLX-SECBINFHSA-N 196.225 1.538 10 10 ADCE [N-]=[N+]=NCC[C@H](O)c1cccnc1 75458028 OUMGGCNCVPINHZ-QMMMGPOBSA-N 178.195 1.815 10 10 ADCE COC(=O)Nc1ccc(CN)c(O)c1 82637827 OZSCEQQMCVLQTB-UHFFFAOYSA-N 196.206 1.029 10 10 ADCE CCC(=O)Cc1ccc(N)cc1 124053515 CXGOTQANDXRREB-UHFFFAOYSA-N 163.220 1.790 10 10 ADCE CCc1ccc(O)c(O)c1C 204164115 XZPBKBSUVUPAJX-UHFFFAOYSA-N 152.193 1.969 10 10 ADCE CC(C)CC(=O)C(=O)c1ccncc1 219323778 IJIJNTWGEQVTCT-UHFFFAOYSA-N 191.230 1.880 10 10 ADCE CN[C@H](C)c1c(C)cccc1O 221198108 RGJKUWQAHLMAED-MRVPVSSYSA-N 165.236 1.981 10 10 ADCE CC1OCC(N=[N+]=[N-])CO1 238185497 KIGGEDVNCPCKDV-UHFFFAOYSA-N 143.146 1.058 10 10 ADCE CC[C@@H]1C[C@@]1(N=[N+]=[N-])C(=O)O 238281124 DPUCYMSSNOVDKL-XINAWCOVSA-N 155.157 1.550 10 10 ADCE [N-]=[N+]=NCCCn1ccnc1C=O 238684422 KVSHTLWLVBLEOI-UHFFFAOYSA-N 179.183 1.396 10 10 ADCE CSc1ccc(C)c(O)c1CN 258148039 TXLWPVODZJCGHU-UHFFFAOYSA-N 183.276 1.881 10 10 ADCE Cc1cc2c(cc1N(C)CO)OCO2 258860498 FOJMCGPJIPUQJZ-UHFFFAOYSA-N 195.218 1.110 10 10 ADCE CC[C@](C)(N)c1cc(N)cc(F)c1O 306491940 PGDOYFMICVHXPM-JTQLQIEISA-N 198.241 1.697 10 10 ADCE CCSC[C@H](CO)N=[N+]=[N-] 1535781054 HLVZFOCTFFJPOC-YFKPBYRVSA-N 161.230 1.411 10 10 ADCE COc1cc(/C=C/CN)cc(O)c1O 1535811887 OKTVFHKHESGBPE-NSCUHMNNSA-N 195.218 1.078 10 10 ADCE CC(C)(O)Cc1ccc(O)c(O)c1O 1535835271 LOCYUGGCKMGZDY-UHFFFAOYSA-N 198.218 1.117 10 10 ADCE [N-]=[N+]=NCCN1[C@H]2CCC[C@H]1C2 1881444962 FTZCBZXMPGNDDM-YUMQZZPRSA-N 166.228 1.924 10 10 ADCE [N-]=[N+]=NC[C@H]1CCCN1CCCO 1882186287 NYDOWPCBUNJXDD-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE Nc1ccc(OC[C@H]2CCN2)cc1 1883787303 YPBACBCZEXPNMN-SECBINFHSA-N 178.235 1.010 10 10 ADCE Cc1ccc(O)c(CN[C@H]2C[C@@H]2F)c1 1887536461 JSTJWVREISBVBL-UWVGGRQHSA-N 195.237 1.901 10 10 ADCE CO[C@@H]1CCN(CCN=[N+]=[N-])[C@@H]1C 1912144893 YHWIWKATZXUAQX-HTQZYQBOSA-N 184.243 1.406 10 10 ADCE COCCCCN1CC[C@@H](N=[N+]=[N-])C1 1912200052 AXDIVTXOZUTAAT-SECBINFHSA-N 198.270 1.798 10 10 ADCE CC(=O)C(=O)C1(O)CCC(C)(C)CC1 1929178338 XIMLZYHOKJNGDF-UHFFFAOYSA-N 198.262 1.476 10 10 ADCE Oc1ccc(C[C@H](O)C2CC2)cc1O 1951373485 CCWYNTNXAXRJGZ-JTQLQIEISA-N 194.230 1.411 10 10 ADCE CSCC1(CC(=O)C(C)=O)CC1 1951497565 YAMXTDSHBRPPDX-UHFFFAOYSA-N 186.276 1.678 10 10 ADCE Cc1ccc(O)c([C@H]2CC(=O)CN2)c1 1951948217 NADDSNDIPSKMBL-SNVBAGLBSA-N 191.230 1.304 10 10 ADCE CC[C@@H](N)c1c(O)cccc1F 95671790 IPFVRRJFHKXDOG-SSDOTTSWSA-N 169.199 1.941 10 10 ADCE O=Cc1ccc(Cl)c(O)c1O 139971456 WDMSJYLUMXJNPM-UHFFFAOYSA-N 172.567 1.564 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@@H]1NC(=O)O[C@H]1C 142261510 GOGWKJRJYGJOOR-LYFYHCNISA-N 198.226 1.962 10 10 ADCE CCN1CC[C@@H](N=[N+]=[N-])C1 213877271 IYZDAIRJAWFDIK-ZCFIWIBFSA-N 140.190 1.391 10 10 ADCE C/C(N)=C/C(=S)C(F)(F)F 217476541 MCTLJSOHAWSWFF-IHWYPQMZSA-N 169.171 1.781 10 10 ADCE C[C@@H](CCCC(=O)O)N=[N+]=[N-] 224383437 ZUDFNRDVFKNJOF-YFKPBYRVSA-N 157.173 1.940 10 10 ADCE CO[C@H]1CCCN(CCCN=[N+]=[N-])C1 230322185 GDNLLISSUDVHNA-VIFPVBQESA-N 198.270 1.798 10 10 ADCE C[C@@H](/C=C/[C@@H](C)C(=O)O)N=[N+]=[N-] 238438356 ZDNGVBAXDRXKGB-ZRKSVAJOSA-N 169.184 1.962 10 10 ADCE Nc1ccc(C[C@H]2CCC(=O)O2)cc1 238640658 VDNOFIUEHKBXKF-SNVBAGLBSA-N 191.230 1.517 10 10 ADCE C[C@H]1CC[C@@H](O)CN1CCN=[N+]=[N-] 306730663 FKGDYRZSLOUIIW-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE CC(=O)c1ccc([N+](=O)[O-])c(O)c1O 307146017 NFTAZULXVPUFQH-UHFFFAOYSA-N 197.146 1.209 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@@H](C(F)F)CCO1 1912150915 ADVPMJHKVIDWNZ-UHNVWZDZSA-N 192.169 1.266 10 10 ADCE CC12CC(CN1CCN=[N+]=[N-])C2 1912160923 CBDVUNNETTZVHA-UHFFFAOYSA-N 166.228 1.781 10 10 ADCE C[C@@H]1CN(CCN=[N+]=[N-])[C@H](C)C[C@H]1O 1912161557 KTEFSNHNJPFYGN-IWSPIJDZSA-N 198.270 1.388 10 10 ADCE CC[C@@H](C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912164414 ATBQUNVCUBXIFN-HTQZYQBOSA-N 196.254 1.944 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1cscn1 1934621184 MCRYLSBNMZHKQG-YFKPBYRVSA-N 170.197 1.487 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@]12CC[C@H]1C2 1935499618 GXXHIBNGZAYMIA-POYBYMJQSA-N 180.211 1.213 10 10 ADCE NC1(Cc2cccc(O)c2O)CCC1 1951722407 GYUZTVGPMGZNQB-UHFFFAOYSA-N 193.246 1.522 10 10 ADCE O=C1CCO[C@@H]1c1cccc(O)c1O 1952134197 CUDWSNWSAMFMIU-SNVBAGLBSA-N 194.186 1.128 10 10 ADCE CNCCC(C)=Cc1nccn1C 1953914471 OKBFGBGZRHCVQA-UHFFFAOYSA-N 179.267 1.433 10 10 ADCE CC(C)(CN)NCc1ccccc1O 1956736847 KRKIPKGHZCYUQL-UHFFFAOYSA-N 194.278 1.219 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@@H]1CC[C@H]1N 1957248639 FDOXCKWJBHZMIY-RKDXNWHRSA-N 197.286 1.498 10 10 ADCE [N-]=[N+]=NCC[C@@H](O)c1ccccn1 75458058 CRBVQNFCPVVJPZ-MRVPVSSYSA-N 178.195 1.815 10 10 ADCE NCc1cc2sc(=O)oc2cc1O 82909985 POMJMJNYSGEQOA-UHFFFAOYSA-N 197.215 1.019 10 10 ADCE N[C@H](c1ccc(F)cc1O)C1CC1 95685832 DDSFXQFOYPBTPT-JTQLQIEISA-N 181.210 1.941 10 10 ADCE CCC[C@@H](N)c1cc(CO)ccc1O 104453588 QWCXTHMZKWCFQR-SNVBAGLBSA-N 195.262 1.684 10 10 ADCE C[C@H]1CN[C@@H](c2ccccc2O)CO1 108302886 HIDMPAZBKGLXSA-WCBMZHEXSA-N 193.246 1.442 10 10 ADCE CCC[C@H](N=[N+]=[N-])[C@@H]1COC(=O)N1 238252617 KXEFIWXEVFOJOS-WDSKDSINSA-N 184.199 1.574 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])CC[C@H]1O 253199141 SQGDWQOOPFJSQM-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE CC1(C)C[C@H](N=[N+]=[N-])CN1 1880024715 VPRHCUROOGKSIE-YFKPBYRVSA-N 140.190 1.437 10 10 ADCE CN(C)CCC1CN(CCN=[N+]=[N-])C1 1884479953 QQHAFGQPIJGNMD-UHFFFAOYSA-N 197.286 1.180 10 10 ADCE Nc1ccc(CC(=O)C2COC2)cc1 1885016637 HQJCQDIQMOLOEA-UHFFFAOYSA-N 191.230 1.027 10 10 ADCE C[C@]1(COc2ccc(N)cc2)CCN1 1896303167 SIBKXWGARNWMQE-LLVKDONJSA-N 192.262 1.400 10 10 ADCE C[C@@H](Oc1ccc(N)cc1)[C@@H]1CCN1 1896322033 STBSDTUMPYLHGU-KCJUWKMLSA-N 192.262 1.398 10 10 ADCE CCOC(=O)c1noc(CN=[N+]=[N-])n1 1912146748 UFYBEMVJUMURMY-UHFFFAOYSA-N 197.154 1.057 10 10 ADCE CO[C@H]1C[C@@H](CN2CC(N=[N+]=[N-])C2)C1 1912180226 XMAFDHWSTRVOLI-OTSSQURYSA-N 196.254 1.406 10 10 ADCE CN(CCc1ccc(N)cc1)C1CC1 37081273 UWALZYRIMQDUAH-UHFFFAOYSA-N 190.290 1.906 10 10 ADCE CO[C@H]1C[C@H](OC)OC[C@@H]1N=[N+]=[N-] 38266341 IWSQMDHSWKEOKV-LYFYHCNISA-N 187.199 1.073 10 10 ADCE CCNCCOc1ccc(N)cc1 41201456 AQUCKAJOQRCVFS-UHFFFAOYSA-N 180.251 1.257 10 10 ADCE CC[C@H](NCCCN=[N+]=[N-])C(=O)O 85225024 HXSDDUKEHFMCDM-LURJTMIESA-N 186.215 1.140 10 10 ADCE C[C@@H](N)c1sc2cc[nH]c2c1O 211437192 XJTWYNDLIZHMNT-SCSAIBSYSA-N 182.248 1.955 10 10 ADCE Cc1ccc(O)c([C@H](C)N)c1F 212382807 MIAKLKLVQCQMPV-LURJTMIESA-N 169.199 1.859 10 10 ADCE CN(C)C(=O)Nc1ccc(O)c(O)c1 213928800 CVUJNJGUMJDJEA-UHFFFAOYSA-N 196.206 1.191 10 10 ADCE C[C@@H](N)c1c(F)ccc(O)c1O 238414363 BDQLOZDSLGFKKQ-SCSAIBSYSA-N 171.171 1.257 10 10 ADCE Cc1c(F)cc2c(c1O)[C@@H](N)CC2 238503237 VMRRODKVIPDUHK-QMMMGPOBSA-N 181.210 1.786 10 10 ADCE C/C=C(\CO)[C@@H](CCN=[N+]=[N-])[C@H](C)O 687756879 BZOWFMOEESWORB-ROAAPQQCSA-N 199.254 1.622 10 10 ADCE CC[C@H]1CCO[C@H](CN=[N+]=[N-])N1 885319349 UMLNHMWEDIUVJW-NKWVEPMBSA-N 170.216 1.411 10 10 ADCE Cc1c[nH]c(C)c1[C@@H](CO)N=[N+]=[N-] 1535795080 WBHGGZYLPXCVQP-SSDOTTSWSA-N 180.211 1.975 10 10 ADCE CC1(C)NC[C@H]1Oc1ccc(N)cc1 1900718368 POZVMVBNLXTEJL-SNVBAGLBSA-N 192.262 1.398 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@H]1O 1912157896 ZPGOHOKRIBCXIS-DTWKUNHWSA-N 198.270 1.390 10 10 ADCE COCC[C@H](N)c1c(O)cccc1O 1951601621 CJGLTQBMQCMTIG-ZETCQYMHSA-N 197.234 1.134 10 10 ADCE COCC[C@H](N)c1ccc(F)cc1O 1951604067 PDBVKVUVVJJJID-VIFPVBQESA-N 199.225 1.568 10 10 ADCE CC[C@]1(C)CCC(=O)C(=O)C1 1953319905 FUAFDOUUZMDAOC-SECBINFHSA-N 154.209 1.725 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@@H]1CN 1954206141 BOOMOZGVKCGOCZ-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE C[C@@H]1[C@H](C(=O)NCCN=[N+]=[N-])[C@@H]1C 1954559553 DMJHIHLTVNNJHW-KVSKUHBBSA-N 182.227 1.315 10 10 ADCE C[C@H]1CC(=O)N(CCCN=[N+]=[N-])[C@H]1C 1956893085 FGOJHTOMISTBCE-YUMQZZPRSA-N 196.254 1.944 10 10 ADCE Cc1cccc([C@@H](NN)C2CC2)c1O 2080474990 PODTVTSXTQHJKK-JTQLQIEISA-N 192.262 1.615 10 10 ADCE Cn1ccnc1C=C1[C@H]2CNC[C@H]1C2 2241817351 KKYYFDHPRCTWHI-RKDXNWHRSA-N 189.262 1.043 10 10 ADCE Nc1ccc(Cc2ncc[nH]2)cc1 38865350 BDDWDZQKHIRQPM-UHFFFAOYSA-N 173.219 1.583 10 10 ADCE NCc1cccc(C(F)(F)F)c1O 82636553 ODOIIVJXYKKRSZ-UHFFFAOYSA-N 191.152 1.870 10 10 ADCE CC(C)[C@@H](CO)CN=[N+]=[N-] 90697582 JQXNZIUZCWFXLW-ZCFIWIBFSA-N 143.190 1.561 10 10 ADCE S=C1CCOCC1 165900783 MLDZVKJSOBGWLH-UHFFFAOYSA-N 116.185 1.167 10 10 ADCE Cc1cc(CO)cc(CN(C)C)c1O 213870580 PDEMRWVPISQLNY-UHFFFAOYSA-N 195.262 1.255 10 10 ADCE COCC[C@](C)(N=[N+]=[N-])OC 217881989 HYWLTVPYNCZXKL-ZCFIWIBFSA-N 159.189 1.696 10 10 ADCE COC(=O)/C=C\[C@H](C)N=[N+]=[N-] 220661428 FTDSCDIAQQQGLO-XUELKZDXSA-N 155.157 1.414 10 10 ADCE C[C@H](c1cc(CN)ccc1O)N(C)C 257811596 BHSVDUCLIFDPGY-MRVPVSSYSA-N 194.278 1.474 10 10 ADCE C[C@H](N=[N+]=[N-])c1nccn1C 306457853 WROWIRVPEHXFJA-YFKPBYRVSA-N 151.173 1.791 10 10 ADCE C[C@@H]1COCCN(CCN=[N+]=[N-])C1 307350758 TUVVUMIINPEAKC-QMMMGPOBSA-N 184.243 1.265 10 10 ADCE CCOC(=O)OCc1ccc(N)cc1 382288698 MEVIFFWWXPATEL-UHFFFAOYSA-N 195.218 1.942 10 10 ADCE [N-]=[N+]=NCCN1CCN(C2CC2)C1=O 690764985 DHTOIFHGEPODKG-UHFFFAOYSA-N 195.226 1.197 10 10 ADCE CC[C@@H]1COC[C@@H](CN=[N+]=[N-])O1 958691833 JJQSQYZYLJFLPI-RNFRBKRXSA-N 171.200 1.491 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cncc(F)c1 1535827888 NJGJFHKYEYXRSN-ZETCQYMHSA-N 182.158 1.564 10 10 ADCE C[C@H](N)[C@H](C)Nc1ccc(N)cc1 1883134677 VLNYQPVQIDJWFJ-YUMQZZPRSA-N 179.267 1.416 10 10 ADCE [N-]=[N+]=NCCCN1C[C@H]2COCC[C@@H]21 1890172008 VUTJJUZBCSDXSC-IUCAKERBSA-N 196.254 1.408 10 10 ADCE C[C@H](CN(C)C)N(C)CCN=[N+]=[N-] 1893409655 YCIZKHJXSUEHTL-MRVPVSSYSA-N 185.275 1.179 10 10 ADCE C[C@@H]1C[C@@H](O)CN1CCCCN=[N+]=[N-] 1912176051 UHZDPJQWYFOXNO-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE CN(c1ccc(N)cc1)C1CC(O)C1 1914587266 FDAMKAZLPPFLNI-UHFFFAOYSA-N 192.262 1.228 10 10 ADCE CC(=O)C(=O)c1cccc2c1OCC2 1951572995 WYMROJUNMLSJCM-UHFFFAOYSA-N 190.198 1.393 10 10 ADCE CC(=O)[C@H](N)c1c(O)cccc1F 1951959682 WKCUAMWSJWAZDY-VIFPVBQESA-N 183.182 1.120 10 10 ADCE O=C1CO[C@H](c2ccc(O)c(O)c2)C1 1952157880 QIQVZRNEAGCSKP-JTQLQIEISA-N 194.186 1.128 10 10 ADCE NC1(c2ccc(O)cc2O)CC=CC1 1952452419 LAHZNKRMIPPLQH-UHFFFAOYSA-N 191.230 1.602 10 10 ADCE CCOc1cc(O)c(O)cc1[N+](=O)[O-] 2054936887 UDYAIAVIIIKKGB-UHFFFAOYSA-N 199.162 1.405 10 10 ADCE Oc1ccc2cc[nH]c2c1O 14517151 NLCITBUDQXHLLX-UHFFFAOYSA-N 149.149 1.579 10 10 ADCE CC[S@](=O)CCN=[N+]=[N-] 42416630 OSYGWNPUGASKNO-SECBINFHSA-N 147.203 1.065 10 10 ADCE Nc1cc(F)c(O)c([C@H]2CCCN2)c1 72201722 CHHLASSXCOGPSZ-SECBINFHSA-N 196.225 1.538 10 10 ADCE Nc1ccc(-n2ccnc2C=O)cc1 75844206 KMOSTJYEVMGWJZ-UHFFFAOYSA-N 187.202 1.267 10 10 ADCE Nc1ccc(Oc2ncns2)cc1 83669742 VVLORAMUIPVOGB-UHFFFAOYSA-N 193.231 1.913 10 10 ADCE Cc1cccc([C@H]2CCN2)c1O 95784355 GBCJGKFEXACHMG-SECBINFHSA-N 163.220 1.735 10 10 ADCE CCN/C(C)=C\C(C)=S 104695629 SKLVLPCLGKTBBQ-WAYWQWQTSA-N 143.255 1.890 10 10 ADCE CCc1cc(C)c(O)c(CNC)c1 107339220 CWMINKUHAOROID-UHFFFAOYSA-N 179.263 1.982 10 10 ADCE [N-]=[N+]=N[C@@H]1COC[C@H]1OCC1CC1 137690394 YGTJWDROHKRLHF-HTQZYQBOSA-N 183.211 1.491 10 10 ADCE COc1cc(C)c(O)c(O)c1C 167871309 SFQPJISMIHNGFO-UHFFFAOYSA-N 168.192 1.723 10 10 ADCE CC1(NCc2ccc(O)c(O)c2)CC1 228834564 WRWDJDSENXLTSD-UHFFFAOYSA-N 193.246 1.740 10 10 ADCE C[C@@]1(c2ccccc2O)NCCO1 238504125 YRPHAUKPNLABLW-SNVBAGLBSA-N 179.219 1.185 10 10 ADCE Oc1ccsc1[C@H]1CCCN1 238728947 LVFQRXQVUCXISC-ZCFIWIBFSA-N 169.249 1.878 10 10 ADCE C[C@H]1CN(C)c2ccc(CN)cc21 257950239 FBTDCVLHTVDMHF-QMMMGPOBSA-N 176.263 1.699 10 10 ADCE COC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1 306159550 FIMPAPUCJHJKIN-URHBZAFASA-N 155.157 1.248 10 10 ADCE COC(=O)/C(=C\O)c1cccnc1 388119498 MNAUHUACUFEQME-VURMDHGXSA-N 179.175 1.154 10 10 ADCE CC(C)(CN)c1cccc(O)c1O 1535736077 HALRSRGTDIJRJT-UHFFFAOYSA-N 181.235 1.334 10 10 ADCE C[C@H](F)CN(C)CCN=[N+]=[N-] 1880163604 YWQHPHGNRLCEOR-LURJTMIESA-N 160.196 1.587 10 10 ADCE C[C@@H]1OCC[C@@H]1CN1CC(N=[N+]=[N-])C1 1884970729 ZAHTVIRISRQPPY-JGVFFNPUSA-N 196.254 1.406 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)[C@@H](C)C(C)C 1889136725 DVMCYCMVSSKWTN-XVKPBYJWSA-N 186.251 1.188 10 10 ADCE [N-]=[N+]=NCC[S@](=O)c1cccnc1 1912163752 NHUKZLNTVWXJNU-ZDUSSCGKSA-N 196.235 1.500 10 10 ADCE [N-]=[N+]=N[C@H]1CCN([C@@H]2CCCOC2)C1 1912201007 OKSSBCRSDRAGID-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE CCNCc1c(C)cccc1O 1923544154 ROGWMFVTOZQKEB-UHFFFAOYSA-N 165.236 1.810 10 10 ADCE CN[C@H](c1ccccc1O)[C@H](C)OC 1928472709 SYEMTFBZTHIIND-KWQFWETISA-N 195.262 1.688 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccncc1O 1951477495 YEGVFWMDJQYXGD-LURJTMIESA-N 180.167 1.131 10 10 ADCE O=C1C[C@@H](c2ccc(Cl)cc2O)N1 1951660469 NSVJVWNBSSKMLE-ZETCQYMHSA-N 197.621 1.607 10 10 ADCE Cc1cccc([C@@]2(C)CCN2)c1O 1952217283 FGWLUMBJPDRDQH-LLVKDONJSA-N 177.247 1.909 10 10 ADCE [N-]=[N+]=NCCCN1CCC[C@H](N)C1 1954207303 UEONXRWBVACVGG-QMMMGPOBSA-N 183.259 1.110 10 10 ADCE CN(C)c1ccc([C@H]2C=CCN2)cc1 1955943015 HMOMXUJDDUICHW-GFCCVEGCSA-N 188.274 1.953 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])[C@H](C)[C@H]1N 1957249404 KFYITIWTRSMSDR-HLTSFMKQSA-N 197.286 1.354 10 10 ADCE CNCC[C@@H](NC)c1ccccc1O 2241977571 NDIYWQCGIGMXTN-SNVBAGLBSA-N 194.278 1.262 10 10 ADCE CN(O)Cc1ccc(F)cc1O 82855396 UPWFIHQXYVPUMK-UHFFFAOYSA-N 171.171 1.352 10 10 ADCE CC(C)CNCc1cc(O)ccc1O 83342285 AYTCXHYMDYZCJX-UHFFFAOYSA-N 195.262 1.843 10 10 ADCE CCc1ccc(O)c([C@H]2CCN2)c1 95784582 ZIPYACOTSGUDFX-SNVBAGLBSA-N 177.247 1.989 10 10 ADCE CCC(CC)NC(=O)[C@@H](C)N=[N+]=[N-] 104701795 VMOBGMFLBHQEIV-ZCFIWIBFSA-N 184.243 1.990 10 10 ADCE C[C@H](O)C(C)(C)Nc1ccc(N)cc1 123708522 GTIWJKXSCGDPEO-QMMMGPOBSA-N 194.278 1.840 10 10 ADCE O=C1C(=O)[C@H]2C[C@H]1c1ccccc12 138109153 OEZBPYCPABOXSG-IUCAKERBSA-N 172.183 1.409 10 10 ADCE N[C@H]1CCCc2c(O)c(O)cc(F)c21 238583463 VOXCWYMYAPNGJT-ZETCQYMHSA-N 197.209 1.573 10 10 ADCE N[C@@H]1CCc2cc([N+](=O)[O-])cc(O)c21 238638524 LVVVCAVGYLXECF-SSDOTTSWSA-N 194.190 1.246 10 10 ADCE COc1ccc(C)c(O)c1CNO 258024636 ILCVZTOMLZFMGI-UHFFFAOYSA-N 183.207 1.188 10 10 ADCE ON[C@H]1CCc2cccc(O)c21 306604358 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CC(C)C[C@](C)(O)/N=N/CCO 163878335 AUTJHCLPIWELKR-VPOJCXOPSA-N 174.244 1.186 10 10 ADCE CC(=O)C1(c2ccc(O)c(O)c2)CC1 204565752 UEBNTUSRWAGBJP-UHFFFAOYSA-N 192.214 1.718 10 10 ADCE C[C@@H](N)c1ccc(S)cc1O 211709529 NFVHNOCHJMXEPV-RXMQYKEDSA-N 169.249 1.701 10 10 ADCE C[C@H](N)c1cc2[nH]ccc2cc1O 211713088 DWLUADKYVLYTGU-LURJTMIESA-N 176.219 1.893 10 10 ADCE NCc1cc(C(F)F)ccc1O 212537658 KSFIWVPAYSVDQC-UHFFFAOYSA-N 173.162 1.789 10 10 ADCE CCOc1cccc(O)c1[C@@H](C)N 212929401 CLRGCDYRKBPAIJ-SSDOTTSWSA-N 181.235 1.811 10 10 ADCE CCC(F)(CC)C(=O)C(C)=O 230486204 MLLCRQGPRHYKDF-UHFFFAOYSA-N 160.188 1.673 10 10 ADCE CCCC1CC(=O)C(=O)C1 238203160 LRQSWLSIYNBDIH-UHFFFAOYSA-N 140.182 1.335 10 10 ADCE CC[C@@H](N)c1cc(O)c(F)cc1O 238276070 QZDOMESVSLVPME-SSDOTTSWSA-N 185.198 1.647 10 10 ADCE [N-]=[N+]=NCCC(=O)NCc1ccco1 238634279 ZBNHHGNEUGOKSL-UHFFFAOYSA-N 194.194 1.596 10 10 ADCE [N-]=[N+]=N[C@H]1CCCCOC1=O 238655150 XOBKWSHYMHFBQB-YFKPBYRVSA-N 155.157 1.392 10 10 ADCE Cc1cc(O)c(O)c(Cl)c1C=O 257810929 ASFHLRXLZFUGGN-UHFFFAOYSA-N 186.594 1.872 10 10 ADCE C[C@H]1[C@@H]2C[C@@H](C(=O)C2=O)[C@@H]1C 306250176 YHQIWHRUJLJSAT-GBNDHIKLSA-N 152.193 1.047 10 10 ADCE COC(=O)C[C@@H]1C[C@@H](N=[N+]=[N-])CCO1 1857785085 LBBLEJJJZFGLFN-BQBZGAKWSA-N 199.210 1.407 10 10 ADCE Cc1cccc(N)c1N[C@H]1CC[C@@H]1N 1888904579 CGYBYGNRZZGBMM-WPRPVWTQSA-N 191.278 1.479 10 10 ADCE Cn1ccnc1C=C[C@H]1CCC[C@H]1N 1890450459 CWLKIBYHKOIAKG-NXEZZACHSA-N 191.278 1.561 10 10 ADCE CCc1cnc(SCCO)s1 1890474262 QXPWAVDISHQGOS-UHFFFAOYSA-N 189.305 1.790 10 10 ADCE CO[C@H](C)CN1CC[C@H](N=[N+]=[N-])C1 1912171791 PCAOPGWCOOMKAN-SFYZADRCSA-N 184.243 1.406 10 10 ADCE [N-]=[N+]=NC[C@H]1CCNCC1(F)F 1912189716 WHNVKSZWEQTDDB-RXMQYKEDSA-N 176.170 1.542 10 10 ADCE [N-]=[N+]=NC[C@@H]1N[C@H](CC2CC2)CO1 1912189821 YZRPGAOPEWVDOY-HTQZYQBOSA-N 182.227 1.411 10 10 ADCE CCn1ccnc1C=C1CNC[C@@H]1C 1926533004 WWGNHEUHYDASQX-VIFPVBQESA-N 191.278 1.526 10 10 ADCE CC[C@](C)(O)[C@@H](N)c1ccccc1O 1929439132 QFAIMBXNSGIFJE-QWRGUYRKSA-N 195.262 1.553 10 10 ADCE C[C@@H](N)c1c(O)cccc1[N+](=O)[O-] 1951896180 BYLONOFDHPIZQD-RXMQYKEDSA-N 182.179 1.320 10 10 ADCE Cc1ccc([C@@H](N)C2(O)CC2)c(O)c1 1952435373 PITUCKQEQNPCJQ-SNVBAGLBSA-N 193.246 1.225 10 10 ADCE [N-]=[N+]=NC[C@@]1(F)CCCNC1 1953229127 NCUKNXQGIGUCRX-ZCFIWIBFSA-N 158.180 1.388 10 10 ADCE Cc1nc(CN=[N+]=[N-])ccc1N 1953712577 GZLYQDDNPVUXFB-UHFFFAOYSA-N 163.184 1.783 10 10 ADCE CCc1cc(O)c(O)cc1CC(=O)O 2060130633 OAPQOEOQZPESHD-UHFFFAOYSA-N 196.202 1.287 10 10 ADCE C[C@H]1CCN1C(=O)NCCN=[N+]=[N-] 2241326961 UAGMJDIYCMLIES-LURJTMIESA-N 183.215 1.101 10 10 ADCE C[C@@H](N1CC(N=[N+]=[N-])C1)C(F)(F)F 2242499821 QGMBTUJPJRABMS-SCSAIBSYSA-N 194.160 1.932 10 10 ADCE C[C@@H](N=[N+]=[N-])[C@@H]1OC1(C)C 39132239 MEPIGQLOYUCEOC-UHNVWZDZSA-N 141.174 1.863 10 10 ADCE C[C@@H](Cc1ccc(N)cc1)NC1CC1 71428800 SYEJYAJPZBUTDF-VIFPVBQESA-N 190.290 1.952 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2CC[C@H](C1)O2 85541125 LPDSGXPAAHDOPL-DTORHVGOSA-N 196.254 1.550 10 10 ADCE CC1CN(c2ccc(CN)cc2)C1 86681711 DZZBUKMWCKNCJK-UHFFFAOYSA-N 176.263 1.601 10 10 ADCE CC(C)[C@@](C)(N)c1c(O)cccc1O 95747760 BAUKUQQQAAJQER-LLVKDONJSA-N 195.262 1.928 10 10 ADCE Cc1c(F)ccc(O)c1[C@@H]1CCN1 104575454 HUTJPDIIXXTXHJ-QMMMGPOBSA-N 181.210 1.874 10 10 ADCE CCCNCc1cc(N)ccc1O 113864190 JXCIBUJZPALRGP-UHFFFAOYSA-N 180.251 1.474 10 10 ADCE Nc1ccc(-n2cc(Cl)nn2)cc1 141426973 AFHHFHNDEKECPX-UHFFFAOYSA-N 194.625 1.503 10 10 ADCE CC[C@H]1C[C@@]1(N=[N+]=[N-])C(=O)OC 196296568 VOAULBFEAQNRHI-FSPLSTOPSA-N 169.184 1.638 10 10 ADCE CC(C)c1cc(N)c(O)c(O)c1 212280779 PDUDHBRHZHDHGO-UHFFFAOYSA-N 167.208 1.803 10 10 ADCE CNCCc1cc(C)c(O)c(O)c1 258105744 YHJCVKSGUUNKIF-UHFFFAOYSA-N 181.235 1.168 10 10 ADCE C[C@H]1C[C@@H](C)N(CCN=[N+]=[N-])C1=O 307172972 NSKQFHXYELSUTM-NKWVEPMBSA-N 182.227 1.554 10 10 ADCE CC[C@H](N)[C@H](N)c1cccc(C)c1O 307439157 VBJGOTOPAOBJFY-VHSXEESVSA-N 194.278 1.438 10 10 ADCE C[C@H](O)[C@H](C)N(C)c1ccc(N)cc1 702103030 BJCWBCQWCVOFGL-IUCAKERBSA-N 194.278 1.474 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@H](CF)C1 711519559 PVVPRITVULFNIV-MRVPVSSYSA-N 186.234 1.978 10 10 ADCE Nc1ccc(NC/C=C/CO)cc1 717549976 KGKCOZIWIAQQIQ-OWOJBTEDSA-N 178.235 1.229 10 10 ADCE C=CC(=O)N1CCC[C@H](CN=[N+]=[N-])C1 885688721 XIXBJINOLSQUIL-MRVPVSSYSA-N 194.238 1.721 10 10 ADCE CC1(Nc2ccc(N)cc2)COC1 1882928697 SFQZMIYCXJIEOA-UHFFFAOYSA-N 178.235 1.470 10 10 ADCE CCOCc1nccn1CCN=[N+]=[N-] 1885819000 REUFHXSONPWMGY-UHFFFAOYSA-N 195.226 1.730 10 10 ADCE Nc1ccccc1N[C@H]1CC[C@@H](N)C1 1888922608 ICTBCGYRPLZRAL-BDAKNGLRSA-N 191.278 1.561 10 10 ADCE Nc1ccccc1N[C@@H]1CC[C@@H](N)C1 1888922611 ICTBCGYRPLZRAL-RKDXNWHRSA-N 191.278 1.561 10 10 ADCE CNC(=O)NCc1cccc(C)c1O 1904107779 JYNLPAMPXZXGLO-UHFFFAOYSA-N 194.234 1.130 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN([C@H]2CCOC2)C1 1912166447 XOTTZOBIXMDPTJ-SFYZADRCSA-N 182.227 1.160 10 10 ADCE [N-]=[N+]=NC[C@H]1CC12CCNCC2 1912177132 CCMQUCLMYALXSC-SSDOTTSWSA-N 166.228 1.686 10 10 ADCE [N-]=[N+]=NCCc1ncccc1O 1951401564 GRAPCWFJTDTTMJ-UHFFFAOYSA-N 164.168 1.640 10 10 ADCE CC[C@H](CN)[C@@H](N)c1ccccc1O 1956167978 AAQZGVJVBRCNGM-LDYMZIIASA-N 194.278 1.377 10 10 ADCE [N-]=[N+]=NCCCCN1CC2(CCO2)C1 1956881732 FTULKIWFGMYJKO-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE CC(C)[C@@H](N)CCN(C)CCN=[N+]=[N-] 1957244124 MSMLPHKQIFRSCL-VIFPVBQESA-N 199.302 1.602 10 10 ADCE NC/C=C\CNc1ccc(N)cc1 2241543007 MJFWJOAKWFWGEY-UPHRSURJSA-N 177.251 1.196 10 10 ADCE CONCc1c(C)ccc(C)c1O 82873710 UJIDOHRVLPBCCR-UHFFFAOYSA-N 181.235 1.660 10 10 ADCE CCC[C@H](C)/C=C1/C(=O)NN=C1C 90416242 HLNVWNDOYZNXIC-QCCBYXMRSA-N 180.251 1.855 10 10 ADCE CC[C@H](N)c1cccc(F)c1O 95674639 IAPRYMXKMHADOE-QMMMGPOBSA-N 169.199 1.941 10 10 ADCE O=C1N[C@H](c2cc(F)ccc2O)CO1 95686202 SULHIFMMSBOIFE-ZETCQYMHSA-N 197.165 1.312 10 10 ADCE C[C@@H]1CCCCN1C(=O)CN=[N+]=[N-] 104702106 YJXXBKPIKYNFMH-SSDOTTSWSA-N 182.227 1.698 10 10 ADCE C[C@H]1CCCC[C@@H](N=[N+]=[N-])C(=O)N1 139590436 AYSPLCIFBLSIHV-NKWVEPMBSA-N 182.227 1.744 10 10 ADCE COC(=O)/C(=C\O)c1cccn1C 203692650 VUJYUPAXHJSWAC-SREVYHEPSA-N 181.191 1.097 10 10 ADCE Cc1ccc([C@H]2CCNC2)c(O)c1O 213695889 DIZVXIKWHPRJGY-QMMMGPOBSA-N 193.246 1.483 10 10 ADCE CC(C)NCCNc1ccc(N)cc1 217904453 FVQRYQIBSOSMRF-UHFFFAOYSA-N 193.294 1.679 10 10 ADCE CC1(NCCc2ccc(N)cc2)CC1 228873128 NGSKLIRUZZMSMW-UHFFFAOYSA-N 190.290 1.953 10 10 ADCE Oc1cccc(Cc2ncc[nH]2)c1O 231450980 MPTPDIRQTLLOSF-UHFFFAOYSA-N 190.202 1.412 10 10 ADCE Cc1c(O)cc([C@H](C)N)c(O)c1C 238422828 FKXKKVZXCJLXQC-ZETCQYMHSA-N 181.235 1.734 10 10 ADCE [N-]=[N+]=N[C@H]1[C@H]2CC=C[C@H]21 238535012 IKKAOFKIYLBKLI-NGJCXOISSA-N 121.143 1.871 10 10 ADCE [N-]=[N+]=NCCCNCCCN=[N+]=[N-] 238590238 KYNFHJSJGFPASF-UHFFFAOYSA-N 183.219 1.977 10 10 ADCE [N-]=[N+]=NCCCC(=O)NC1CC1 238633144 LITBBCCDIUVHRY-UHFFFAOYSA-N 168.200 1.356 10 10 ADCE C[C@](F)(CO)c1ccc(O)c(O)c1 257858288 UPGJGNQGQNUHKY-VIFPVBQESA-N 186.182 1.275 10 10 ADCE Cc1cc(C)c2c(c1)NCC(=O)C2=O 306625502 GWANWFICKROHBS-UHFFFAOYSA-N 189.214 1.481 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]2C1 306739893 BGRXLIXEAGKGBC-BQBZGAKWSA-N 152.201 1.248 10 10 ADCE CC[C@@H](C[N+](=O)[O-])N=[N+]=[N-] 687750794 IHYLPSNTNPEQHO-BYPYZUCNSA-N 144.134 1.352 10 10 ADCE CCC(=O)N1CC[C@H](CN=[N+]=[N-])C1 885409478 SULHJHRNDSODJZ-SSDOTTSWSA-N 182.227 1.555 10 10 ADCE Nc1ccc(N[C@@H]2COC[C@H]2F)cc1 1884649363 AVJRLUOZJAMILS-NXEZZACHSA-N 196.225 1.418 10 10 ADCE CO[C@H]1C[C@@H](C)CN(CCN=[N+]=[N-])C1 1905550929 RTZXVZLWNBAULN-BDAKNGLRSA-N 198.270 1.654 10 10 ADCE CO[C@@H]1CCN(CCN=[N+]=[N-])C1(C)C 1912205088 MHJMUSJSAUKKHE-MRVPVSSYSA-N 198.270 1.796 10 10 ADCE Cn1cccc1C=C1CC(N)C1 1951785060 ZGRVUIIETTZFGL-UHFFFAOYSA-N 162.236 1.530 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@@H](O)C1 1953978538 DAUMTAWSLKQELK-MRVPVSSYSA-N 184.243 1.144 10 10 ADCE [N-]=[N+]=NCCN1C(=O)C[C@H]2CC[C@H]1C2 1956665964 VLLSVIVXVDFZHY-YUMQZZPRSA-N 194.238 1.698 10 10 ADCE CS[C@@H](C)C(=O)NCCN=[N+]=[N-] 1963809886 WZJNHZWCTCKUKX-YFKPBYRVSA-N 188.256 1.164 10 10 ADCE CO[C@@H]1CC[C@@H]1CN=[N+]=[N-] 2208934138 RPDLOPHCVJJVHA-PHDIDXHHSA-N 141.174 1.722 10 10 ADCE C[C@H](O)CNCc1cc(F)ccc1O 83343144 BZYJEOPFGHJDAA-ZETCQYMHSA-N 199.225 1.002 10 10 ADCE CC(C)(O)CCN=[N+]=[N-] 86236742 KGVNVKBCLWJOIV-UHFFFAOYSA-N 129.163 1.458 10 10 ADCE Cc1ccc(C)c([C@H](N)[C@H](C)O)c1O 95783062 MXQGVJQWLYVSSV-WCBMZHEXSA-N 195.262 1.390 10 10 ADCE [N-]=[N+]=N[C@@H]1Cc2ccccc2[C@@H]1N 208508835 BRBQDUISROFHCS-BDAKNGLRSA-N 174.207 1.921 10 10 ADCE Cc1cc(C[C@@H](C)N)cc(O)c1O 220410538 OBDVULWHJGZQFC-SSDOTTSWSA-N 181.235 1.296 10 10 ADCE Nc1ccc(C[C@H]2CCOC2)cc1 257943299 VGQSXBJTBUASSC-SNVBAGLBSA-N 177.247 1.848 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)O[C@H]2C=CC[C@H]21 307238515 OWFLIKAEISZKOI-NGJCXOISSA-N 165.152 1.167 10 10 ADCE C[C@@H]1OCCN(CCCN=[N+]=[N-])[C@H]1C 380339800 LILYKUFGRPVUIG-IUCAKERBSA-N 198.270 1.796 10 10 ADCE CC1(C)CN(CCN=[N+]=[N-])C(=O)O1 689026066 UBJJFXMCGOYHTC-UHFFFAOYSA-N 184.199 1.528 10 10 ADCE [N-]=[N+]=NCc1ccc([N+](=O)[O-])cn1 699029956 ZWWOSWZOTSZDGQ-UHFFFAOYSA-N 179.139 1.800 10 10 ADCE C[C@H]1C[C@H](O)CCN1CCCN=[N+]=[N-] 706115418 PHWKOYLLPWZCGM-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CC1=C=C([C@@H](O)CNN=N)C#S1 885429361 ZXJGANKPTQBGRN-ZETCQYMHSA-N 183.236 1.018 10 10 ADCE CCc1cccc([C@H](O)CN=[N+]=[N-])n1 1885133052 RHRMUCYNGPABPY-SECBINFHSA-N 192.222 1.988 10 10 ADCE CC1(C)CC[C@@H](CO)N1CCN=[N+]=[N-] 1905540122 JYHFILDSBKEJHO-QMMMGPOBSA-N 198.270 1.532 10 10 ADCE CCn1cccc1C=CCCN 1911548617 MEKZGSNMDGURIL-UHFFFAOYSA-N 164.252 1.870 10 10 ADCE CC[C@H]1CCN(CCN=[N+]=[N-])CCO1 1912154403 LZKUIDGBFBIUPC-VIFPVBQESA-N 198.270 1.798 10 10 ADCE CNCCC[C@H](C)N(C)CCN=[N+]=[N-] 1957245643 ZGZPMUWOUISDIC-VIFPVBQESA-N 199.302 1.617 10 10 ADCE CC1O[C@H](CN=[N+]=[N-])[C@@H](CN=[N+]=[N-])O1 38916803 XYDTVQSGPGPPSI-PHDIDXHHSA-N 198.186 1.737 10 10 ADCE Nc1ccc(NC[C@H]2CCOC2)cc1 61146656 WKYRRIVPDNXZFO-SECBINFHSA-N 192.262 1.717 10 10 ADCE COc1ccc(N(C)C)cc1C(C)=O 83982649 NXEHKCFGKRXJRL-UHFFFAOYSA-N 193.246 1.964 10 10 ADCE N[C@@H]1CCCN[C@@H]1c1ccccc1O 84353047 OTWQTAVXOCNPRC-MWLCHTKSSA-N 192.262 1.144 10 10 ADCE C[C@]1(O)CCCN(CCCN=[N+]=[N-])C1 157507637 IVOXOIDZRFZMFU-VIFPVBQESA-N 198.270 1.534 10 10 ADCE C[C@H](O)[C@@H](C)NCc1ccccc1O 162953591 RERQGWFGUKOEBG-BDAKNGLRSA-N 195.262 1.251 10 10 ADCE CCCCOC[C@@H](O)CN=[N+]=[N-] 202029216 LPOIGQXCXRNUDT-ZETCQYMHSA-N 173.216 1.474 10 10 ADCE CNCc1cc(F)c(OC)cc1O 212048921 WTEBWXCHCBMCGC-UHFFFAOYSA-N 185.198 1.259 10 10 ADCE Oc1cccc2c1CNCC[C@@H]2F 219589282 OYPPUWGLHCPZGJ-VIFPVBQESA-N 181.210 1.896 10 10 ADCE CSC(=O)c1ccc(O)c(O)c1 222949239 FRDNZYZGBNYWAR-UHFFFAOYSA-N 184.216 1.601 10 10 ADCE COc1cc(O)c(C)c(O)c1O 238390156 ZRKLIHAMOVCDEP-UHFFFAOYSA-N 170.164 1.120 10 10 ADCE Oc1cccc([C@@H]2CCNC2)c1O 238682399 QYYYKINMJQAWKH-SSDOTTSWSA-N 179.219 1.175 10 10 ADCE C=C=CC[C@@H](O)N=[N+]=[N-] 238698695 QQGHOUGDHYLQNK-RXMQYKEDSA-N 125.131 1.346 10 10 ADCE CN1C[C@H]2CC[C@H]1[C@@H](N=[N+]=[N-])C2 306723850 SXVQBZPCKCARGB-FXQIFTODSA-N 166.228 1.779 10 10 ADCE [N-]=[N+]=N[C@@H]1CS[C@H]2CCC(=O)N[C@H]12 307264277 BOJFTZAKBIVDIB-JCGDXUMPSA-N 198.251 1.059 10 10 ADCE C[C@H]1C[C@@H](Nc2ccc(N)cc2)CO1 402093736 KMJJVLZWGDAQBR-GZMMTYOYSA-N 192.262 1.858 10 10 ADCE C[C@H]1CCN(CCN=[N+]=[N-])C[C@H]1CO 700391996 MRSLLFRYJFJJEL-IUCAKERBSA-N 198.270 1.247 10 10 ADCE CO[C@H]1CC[C@H]1N(C)CCCN=[N+]=[N-] 724140539 PEZUJJTXDOEFCQ-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2COC[C@H]21 1877565018 PENYVLMABNZXAE-HTQZYQBOSA-N 182.227 1.017 10 10 ADCE [N-]=[N+]=NC[C@@]12CC[C@@H]1CNC2 1880494221 NDBXFXPKBURZOW-RQJHMYQMSA-N 152.201 1.296 10 10 ADCE [N-]=[N+]=NCCCO[C@H]1CCNC1 1881659263 WWRYBCHYGYJHGW-ZETCQYMHSA-N 170.216 1.065 10 10 ADCE CN(CCCN=[N+]=[N-])C1CC(CO)C1 1890518534 ALNSRJGVZPTGNS-UHFFFAOYSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(C2CCOCC2)C1 1912167807 PORNPLIYYLHKFM-MRVPVSSYSA-N 196.254 1.550 10 10 ADCE C[C@@H](CO)OCc1ccc(N)cc1 1924876551 AIJBZGMCHOHANH-QMMMGPOBSA-N 181.235 1.166 10 10 ADCE Cc1ccc(O)c([C@H]2C[C@H](O)CN2)c1 1952058142 AIGVUAGJCMHGGP-WCBMZHEXSA-N 193.246 1.096 10 10 ADCE C[C@]1(c2cc(F)ccc2O)CCN1 1952221903 JUSXJQBLCYHFRL-SNVBAGLBSA-N 181.210 1.740 10 10 ADCE CCOc1ccc(O)c(O)c1C 2054940318 ZXCNVZAZPKAOID-UHFFFAOYSA-N 168.192 1.805 10 10 ADCE CCC/C=C1\SC(=S)NC1=O 3130488 PAJITHLRFNTNGD-PLNGDYQASA-N 187.289 1.818 10 10 ADCE in-vivo CCC[S@](=O)CCCN=[N+]=[N-] 42416640 RXAQFWGUGUJZRW-LLVKDONJSA-N 175.257 1.846 10 10 ADCE COc1ccc(C(=O)C(C)=O)cc1C 57488505 BTEKIMBCKCRICD-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE CC(=O)[C@H](C)N=[N+]=[N-] 95831570 NRZNTCITZHGXIJ-VKHMYHEASA-N 113.120 1.274 10 10 ADCE CO[C@@H](C)COCc1ccc(N)cc1 166916249 MOIDVPUOYIVWLA-VIFPVBQESA-N 195.262 1.820 10 10 ADCE CC[C@@H](N=[N+]=[N-])OC 196490172 BUCMUIXBDAVFQS-BYPYZUCNSA-N 115.136 1.679 10 10 ADCE COC(=O)[C@@H](CSC)N=[N+]=[N-] 197361616 XWYFOONFQKAPED-SCSAIBSYSA-N 175.213 1.201 10 10 ADCE Oc1cc(F)cc(F)c1[C@@H]1CCN1 238698220 ZWXPMRGOMPKUAA-ZETCQYMHSA-N 185.173 1.705 10 10 ADCE C[C@H](CCN)c1c(F)ccc(O)c1O 258279530 ZYZMZZWDTYWZSP-ZCFIWIBFSA-N 199.225 1.689 10 10 ADCE CCO/C(O)=C1\SC=NC1=O 379107518 RZTWWRWVROOALO-XQRVVYSFSA-N 173.193 1.052 10 10 ADCE [N-]=[N+]=NCc1cc2ncccn2n1 1535688839 CMWQQWMBWGRSQP-UHFFFAOYSA-N 174.167 1.540 10 10 ADCE COC(=O)C1(CN=[N+]=[N-])CC1 1775958455 AKMZJTZAMCFSPK-UHFFFAOYSA-N 155.157 1.250 10 10 ADCE COC[C@H]1C[C@H]1CN(C)CCN=[N+]=[N-] 1888107544 ZCSHWKAAQDTTAY-DTWKUNHWSA-N 198.270 1.511 10 10 ADCE C[C@@H]1CCN(CCN=[N+]=[N-])C[C@]1(C)O 1889151602 XKIUZWHZBSYPNK-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE C=CC(=O)NCc1cccc(C)c1O 1904108403 VAUMDMAYGPYBLD-UHFFFAOYSA-N 191.230 1.503 10 10 ADCE C[C@@]1(CN=[N+]=[N-])CCCO1 1912144822 BBWPRZIJNXYEPG-LURJTMIESA-N 141.174 1.866 10 10 ADCE [N-]=[N+]=NC[C@@H]1C[C@@H]2COCC[C@H]2O1 1912148780 XMABTBACZWTPAH-GJMOJQLCSA-N 183.211 1.491 10 10 ADCE [N-]=[N+]=NC1CN(Cc2ccoc2)C1 1912153386 GHDILACGRDKZCR-UHFFFAOYSA-N 178.195 1.774 10 10 ADCE C[C@H]1COCC[C@H]1N(C)CCN=[N+]=[N-] 1912162498 WSQLKQCDPNUAAB-DTWKUNHWSA-N 198.270 1.654 10 10 ADCE N[C@H]1C[C@@H](c2cc(O)c(O)c(O)c2)C1 1952825080 GPYKZDRXSCRIFR-IAQIWYKVSA-N 195.218 1.008 10 10 ADCE CCOc1cc(O)c(O)c(C(=O)O)c1 2054913360 WXJZZNIFKYANEL-UHFFFAOYSA-N 198.174 1.195 10 10 ADCE CCS(=O)(=O)CCCN=[N+]=[N-] 42416505 KIGCRCXYRGZYFX-UHFFFAOYSA-N 177.229 1.122 10 10 ADCE CC[C@@H](C)[S@](=O)CCN=[N+]=[N-] 42416623 KSMBKBOMTXIURA-KBUNVGBDSA-N 175.257 1.844 10 10 ADCE Cc1ccc([C@@H]2CCN2)c(O)c1 95785067 JLKAEJPTIXKNIO-VIFPVBQESA-N 163.220 1.735 10 10 ADCE CCC(=O)CN=[N+]=[N-] 130742440 MZPDWVYPFPTFCC-UHFFFAOYSA-N 113.120 1.276 10 10 ADCE CSC[C@@H](C)N(C)CCN=[N+]=[N-] 157144460 RPXLDSSDQMIYGH-SSDOTTSWSA-N 188.300 1.980 10 10 ADCE CCc1cc(CNC)c(O)c(OC)c1 213866058 DCHKXDGRACSBIJ-UHFFFAOYSA-N 195.262 1.683 10 10 ADCE C[C@@H]1Cc2cc(O)c(O)cc2C(=O)O1 238405360 JQZALCBYHVNZHT-RXMQYKEDSA-N 194.186 1.199 10 10 ADCE N[C@@H]1CCC(=O)c2cccc(O)c21 238565344 YMCNCZWMAVXASZ-SSDOTTSWSA-N 177.203 1.369 10 10 ADCE N[C@H]1CCc2cc(O)cc(O)c21 238628432 GNUDYRKXSIYELY-ZETCQYMHSA-N 165.192 1.044 10 10 ADCE N[C@@H]1CCc2c(F)c(F)cc(O)c21 238631035 VFLQENJZJDNEPV-ZCFIWIBFSA-N 185.173 1.616 10 10 ADCE CC(C)(N)Cc1ccc(O)c(O)c1F 258061565 HMTGPDSFUMZMHN-UHFFFAOYSA-N 199.225 1.517 10 10 ADCE Nc1c(O)ccc2scc(O)c12 306574159 HZMSJEZUYKOAHB-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE CCCN1CC[C@H](NC)[C@H]1CN=[N+]=[N-] 712011932 PRMYQDAFGISEEK-DTWKUNHWSA-N 197.286 1.369 10 10 ADCE CC[C@H](C)[C@@H]1CN[C@@H](CN=[N+]=[N-])O1 1912207278 NLTLKBOCMFZUJT-BIIVOSGPSA-N 184.243 1.657 10 10 ADCE COC[C@H]1C[C@@H](O)[C@H](N=[N+]=[N-])C1 1934516080 PQVARCCMNAYULL-FSDSQADBSA-N 171.200 1.083 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@@]23CC[C@@H]2C3)C1 1935499222 FHRVDBAYISHFGQ-HZGVNTEJSA-N 192.222 1.308 10 10 ADCE OCCCc1cccc(O)c1O 44396239 SZGDLYGGRGFSLD-UHFFFAOYSA-N 168.192 1.023 10 10 ADCE biogenic,in-vitro Nc1ccc(-n2nccc2N)cc1 83119293 ZDRVJNSMNIOGCJ-UHFFFAOYSA-N 174.207 1.037 10 10 ADCE CNCC/C=C(/C)c1nccn1C 86572404 PLBSYDLNOOBFBU-UITAMQMPSA-N 179.267 1.433 10 10 ADCE Cc1c[nH]c2cc(O)c(O)cc12 113827712 ZUTZCXDHPIACCR-UHFFFAOYSA-N 163.176 1.888 10 10 ADCE COC(=O)[C@@H]1CC[C@@H](CN=[N+]=[N-])C1 196933097 ZACMFJQANFMAGV-RNFRBKRXSA-N 183.211 1.886 10 10 ADCE C[C@@H]1CCCN1C[C@H](O)CN=[N+]=[N-] 203326330 LQRQYVBTGYXZKE-HTQZYQBOSA-N 184.243 1.142 10 10 ADCE Nc1c(O)c(O)cc2c1CCCC2 212806522 LDXDWGXEYSEZNF-UHFFFAOYSA-N 179.219 1.559 10 10 ADCE C[C@H](O)[C@H](N)c1cccc(S)c1O 238493857 LIVCFNNLIDGWJX-XNCJUZBTSA-N 199.275 1.062 10 10 ADCE COc1ccc(N2CC[C@H]2CN)cc1 259766696 PMVBCWRBIQILIR-JTQLQIEISA-N 192.262 1.233 10 10 ADCE CC(=O)[C@@H](C)N=Nc1cc[nH]n1 394923634 ADSOPOXLAMDDCU-RXMQYKEDSA-N 166.184 1.471 10 10 ADCE Nc1ccc(N2CC[C@@H]3C[C@H]32)cc1 575537930 JEJBTIPWINZWAL-LDYMZIIASA-N 174.247 1.867 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2OCC[C@@H]2C1 724814953 XGZQHIHBCYZCHR-RKDXNWHRSA-N 196.254 1.408 10 10 ADCE CC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 885820935 HZMMGEKYSFPMCE-SECBINFHSA-N 196.254 1.945 10 10 ADCE [N-]=[N+]=NC[C@@H]1CCCN1CCCCO 1885288854 YIVZDORLXAJSDT-VIFPVBQESA-N 198.270 1.534 10 10 ADCE COC[C@H](CF)Nc1ccc(N)cc1 1888914596 FHOVYJZAGJTWIE-JTQLQIEISA-N 198.241 1.665 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cncn1C 1934646254 HLVBYSQNXIBASR-RXMQYKEDSA-N 151.173 1.791 10 10 ADCE Nc1ccc(C[C@@H]2C[C@H]2C(=O)O)cc1 1951440810 FJXSWIUMQNQWQF-PSASIEDQSA-N 191.230 1.532 10 10 ADCE Nc1ccc(C[C@H]2C[C@@H]2C(=O)O)cc1 1951440813 FJXSWIUMQNQWQF-WPRPVWTQSA-N 191.230 1.532 10 10 ADCE [N-]=[N+]=NCCN1CC2(F)CC1C2 1953386239 PHTNSHOBICODKV-UHFFFAOYSA-N 170.191 1.483 10 10 ADCE CCCN=c1nc(CN=[N+]=[N-])cc[nH]1 1956283167 BAERYPWENDWNDJ-UHFFFAOYSA-N 192.226 1.531 10 10 ADCE [N-]=[N+]=NCc1cccc(N)c1C(=O)O 1956946809 DUGSRYWHGKLBQL-UHFFFAOYSA-N 192.178 1.777 10 10 ADCE Nc1ccccc1N[C@H]1[C@H]2COC[C@H]21 1957277115 NSWNKIPWRBPGTE-AKZRSSKFSA-N 190.246 1.326 10 10 ADCE [N-]=[N+]=NCCCC1CCN(C=O)CC1 34071720 LJPQVPSPIXOTNF-UHFFFAOYSA-N 196.254 1.945 10 10 ADCE CC(C)C(=S)C=O 34361536 XOMNLRXYMAJTMN-UHFFFAOYSA-N 116.185 1.211 10 10 ADCE O=C1NC(Cl)=C2CC=CC=C12 39292905 XAJLXBKODJRVPD-UHFFFAOYSA-N 167.595 1.453 10 10 ADCE CCNCc1ccc2c(c1)CCN2C 50285752 ZRSJBKDPXIXCTP-UHFFFAOYSA-N 190.290 1.788 10 10 ADCE CC(C)(O)Cc1cccc(O)c1O 59096172 YQXXRXLETZYUKJ-UHFFFAOYSA-N 182.219 1.411 10 10 ADCE CSC(=O)NCc1ccc(N)cc1 60245499 HGQNRMLBYASPJQ-UHFFFAOYSA-N 196.275 1.841 10 10 ADCE C[C@H](O)CCNc1ccc(N)cc1 82991249 DKQHRUFOTMNTAS-QMMMGPOBSA-N 180.251 1.452 10 10 ADCE CC1(C)C[C@@]1(N)c1ccccc1O 84333755 ZHXNKNLHWYASES-LLVKDONJSA-N 177.247 1.976 10 10 ADCE [N-]=[N+]=NCCSCCCO 85164075 ASWWIBRJNQHFLU-UHFFFAOYSA-N 161.230 1.412 10 10 ADCE C[C@H](O)CCCN=[N+]=[N-] 130767028 UIFNTFSPXQCSAB-YFKPBYRVSA-N 129.163 1.458 10 10 ADCE CON[C@H](C)c1ccc(N(C)C)cc1 134236044 KJMOYFGHEWLSQO-SECBINFHSA-N 194.278 1.965 10 10 ADCE COc1cccc(O)c1C1(N)CC1 221279710 BVZZKDCHEDOWPX-UHFFFAOYSA-N 179.219 1.349 10 10 ADCE CC1(C)CC(=O)c2cc(O)c(O)cc21 225608811 WCDSHTKIOYCVHQ-UHFFFAOYSA-N 192.214 1.962 10 10 ADCE CC[C@H](C)O[C@@H](O)CN=[N+]=[N-] 238287066 KWNNUHDNDCKFFF-NTSWFWBYSA-N 159.189 1.430 10 10 ADCE C[C@@]1(N=[N+]=[N-])CCCC[C@H]1O 238498821 XNNJMTWCMITJHV-RNFRBKRXSA-N 155.201 1.990 10 10 ADCE Cc1ccc(O)c([C@H]2CCC(=O)N2)c1 238530287 FBXGGIDNXLMVEA-SECBINFHSA-N 191.230 1.652 10 10 ADCE CN(C)C(=S)Nc1ccc(N)cc1 243277452 KYOGAUAAHHXEJW-UHFFFAOYSA-N 195.291 1.527 10 10 ADCE CN(CO)c1ccc2c(c1)CCO2 258871924 GWVWVOBCQOKXAQ-UHFFFAOYSA-N 179.219 1.008 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@@H]21 575458526 ZSELRVGFYOMEEQ-BQBZGAKWSA-N 152.201 1.391 10 10 ADCE Nc1ccc(O[C@H]2CC[C@H]2N)cc1 1877575395 NXUZTDLJMZJYBW-ZJUUUORDSA-N 178.235 1.137 10 10 ADCE [N-]=[N+]=NCCCN1CC=C[C@H]1CF 1884050754 MCNCAUHNMQVIOH-QMMMGPOBSA-N 184.218 1.897 10 10 ADCE C[C@H](O)[C@H](C)N1CCC[C@@H]1CN=[N+]=[N-] 1885284404 AUBPYAVMBIPTGC-XHNCKOQMSA-N 198.270 1.530 10 10 ADCE CCN(C[C@H](C)N)c1ccc(N)cc1 1888912483 GSDNFGNXWGVLTJ-VIFPVBQESA-N 193.294 1.442 10 10 ADCE C[C@H]1C[C@@H](N)CN1c1ccc(N)cc1 1888923673 UNKCOXOJOWHBFH-WCBMZHEXSA-N 191.278 1.195 10 10 ADCE CC[C@@](C)(N)COc1ccc(N)cc1 1896285265 ORNVXQKHPVSYDV-LLVKDONJSA-N 194.278 1.775 10 10 ADCE COCC[C@@H](C)N1CC[C@H](N=[N+]=[N-])C1 1912165872 PULKILFMIODNKC-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCCN1CC(N2CCC2)C1 1912199709 WHDLNYNTAVEMRR-UHFFFAOYSA-N 195.270 1.077 10 10 ADCE CNNCc1ccc(Cl)cc1O 1928564220 NORQHMBWGYVTBE-UHFFFAOYSA-N 186.642 1.270 10 10 ADCE C[C@H]1C[C@@]1(N)Cc1ccc(O)c(O)c1 1951525801 VJNQIUQSFLHRIJ-WRWORJQWSA-N 193.246 1.378 10 10 ADCE CN(CCN=[N+]=[N-])C1(C)CC1 1953307165 GVFFTKIZWHIPTC-UHFFFAOYSA-N 154.217 1.781 10 10 ADCE [N-]=[N+]=N[C@H]1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C[C@H]1O 1957261515 RCKRVBPANBINQE-IXTJBZSOSA-N 195.222 1.224 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(CC[C@@H]2CCO2)C1 2242559437 LAEFILPGKAZFIR-DTWKUNHWSA-N 196.254 1.550 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CC[C@@H]2CCO2)C1 2242559439 LAEFILPGKAZFIR-RKDXNWHRSA-N 196.254 1.550 10 10 ADCE CC(C)C(=O)C(=O)c1ccncc1 84444588 NMFZYQBFRXVJBB-UHFFFAOYSA-N 177.203 1.489 10 10 ADCE CNCc1c(O)ccc(C)c1C 108285628 UEJOUMZNCJURHB-UHFFFAOYSA-N 165.236 1.728 10 10 ADCE Cc1cc(O)c([C@H](N)CCO)s1 108299553 PPRMEGUAAYPTOV-ZCFIWIBFSA-N 187.264 1.144 10 10 ADCE CC(C)COC(=O)[C@H](C)N=[N+]=[N-] 108412502 RMMXJTXGKHAJCJ-LURJTMIESA-N 171.200 1.884 10 10 ADCE CON[C@H](C)c1ccc(O)cc1O 134239002 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CC[C@@H](N)c1c(O)cccc1[N+](=O)[O-] 1952317191 LOLBUQAROZEXAM-ZCFIWIBFSA-N 196.206 1.710 10 10 ADCE [N-]=[N+]=NC1CN(CCC2COC2)C1 1954504338 PYQNGIQKNJHFCV-UHFFFAOYSA-N 182.227 1.017 10 10 ADCE COc1c([N+](=O)[O-])ccc(O)c1O 39291306 IZYANJNBEDEGIC-UHFFFAOYSA-N 185.135 1.015 10 10 ADCE Nc1ccc(Cc2ncno2)cc1 40454058 LVTHXHHSXDGOFW-UHFFFAOYSA-N 175.191 1.243 10 10 ADCE Cn1cc(Nc2ccc(N)cc2)cn1 86778600 QLILGIRHKQVECI-UHFFFAOYSA-N 188.234 1.746 10 10 ADCE Oc1ccc(-c2ncc[nH]2)cc1O 104467750 ZYWUQNAJSOQSMK-UHFFFAOYSA-N 176.175 1.488 10 10 ADCE CC1(C)CC[C@@H](N=[N+]=[N-])[C@@H]1O 130777995 NBXHQOIXFTXZOC-RITPCOANSA-N 155.201 1.846 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H](O)c1ccccc1 201056840 LIVAZQCOAVMLPE-BDAKNGLRSA-N 193.206 1.391 10 10 ADCE COC(=O)c1sc(C)c(N)c1O 238369685 FRUYZZYKWGYISD-UHFFFAOYSA-N 187.220 1.131 10 10 ADCE O=C1C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@H]13 306548952 PRJNHIRIWJIIDX-KVFPUHGPSA-N 164.204 1.191 10 10 ADCE O=C1C(=O)[C@H]2C[C@H]3CC[C@H]1C[C@H]2C3 307637909 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COC(=O)/C(=C/O)C(C)C 206052516 YDXITEVTZYSNDL-GQCTYLIASA-N 144.170 1.257 10 10 ADCE CNCc1cnc(SC)s1 212594011 FBSWVMFTYUWSCJ-UHFFFAOYSA-N 174.294 1.584 10 10 ADCE Cc1c(CO)ccc(O)c1CN(C)C 213870498 KLDWBTHYBJUIQI-UHFFFAOYSA-N 195.262 1.255 10 10 ADCE [N-]=[N+]=NCCC1=CCC[C@@H](O)[C@H]1O 221437993 KIHOVQWTQHDRIX-SFYZADRCSA-N 183.211 1.129 10 10 ADCE Cn1ccnc1/C=C1\CCCNCC1 690641921 BSJRLGRDBPCLOT-MDZDMXLPSA-N 191.278 1.577 10 10 ADCE CC(=Cc1ccc(O)c(O)c1)[C@@H](C)N 1884305871 MLHHHKCVGJKEBL-MRVPVSSYSA-N 193.246 1.848 10 10 ADCE CC[C@@H](O)CN1CCC[C@H]1CN=[N+]=[N-] 1885288820 YCZVFANWRDWSJR-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE CN(CCCO)CCCCN=[N+]=[N-] 1912148012 NYBZCTZLVWCJBV-UHFFFAOYSA-N 186.259 1.391 10 10 ADCE C[C@H]1CN(CCN=[N+]=[N-])[C@H](C)CCO1 1912211653 ZCJTXTXZPFDCIK-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE CN[C@H](c1ccccc1O)[C@H](C)O 1929438279 KMCQNAXTKJMNLZ-XVKPBYJWSA-N 181.235 1.034 10 10 ADCE NC1(c2c(O)cccc2O)CC=CC1 1952450796 LDZPIGBLVBKHKN-UHFFFAOYSA-N 191.230 1.602 10 10 ADCE CC[S@](=N)(=O)Cc1ccc(N)cc1 1953077709 UKAFDWOSZQFNBG-ZDUSSCGKSA-N 198.291 1.835 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@@H]1CN 1954206206 CFZUJLPOEDXTKT-MRVPVSSYSA-N 183.259 1.110 10 10 ADCE [N-]=[N+]=N[C@@H]1CCOC2(CCC2)[C@@H]1O 1954378910 OUUXZPVOJJIXOQ-RNFRBKRXSA-N 183.211 1.369 10 10 ADCE CP(C)(=O)[C@H](O)CN=[N+]=[N-] 2208925447 FXALFCKOHUZMPL-BYPYZUCNSA-N 163.117 1.238 10 10 ADCE CC=CC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2209521617 WOGZHSLXHIILLY-JGVFFNPUSA-N 194.238 1.910 10 10 ADCE Oc1ccc(F)cc1[C@@H]1CCN1 95784668 MRWOPKDUECUHIY-QMMMGPOBSA-N 167.183 1.566 10 10 ADCE CCC(=O)c1cccc(O)c1O 102289925 RTHPAVHYPRJDHO-UHFFFAOYSA-N 166.176 1.691 10 10 ADCE Cc1cc(C2=NNCC2)ccc1O 140458953 WRVLMVJFCWQQKR-UHFFFAOYSA-N 176.219 1.398 10 10 ADCE COCCc1ccc(O)c([C@H](C)N)c1 211597465 JILBLBGRPPHDIY-QMMMGPOBSA-N 195.262 1.601 10 10 ADCE N[C@H]1CCC[C@H]1c1ccc(O)c(O)c1 238576381 LYHCKAGTEYIZJA-IUCAKERBSA-N 193.246 1.693 10 10 ADCE CNCc1cc(O)c(O)cc1C 257830042 JDDDAVKNOXUEBB-UHFFFAOYSA-N 167.208 1.126 10 10 ADCE O=C1Cc2[nH]c3ccccc3c2C1=O 258070549 UOSSMHDAEOWPPC-UHFFFAOYSA-N 185.182 1.476 10 10 ADCE CC(C)Oc1cccc(O)c1CNO 258126361 QXSMUZWITRRUDZ-UHFFFAOYSA-N 197.234 1.658 10 10 ADCE Oc1ccccc1[C@@H]1CCC[C@H](O)N1 258484434 FITIOHLTHDWZSF-ONGXEEELSA-N 193.246 1.525 10 10 ADCE C[C@H]1CN(c2ccc(N)cc2)C[C@@H]1O 307594465 IRYXCWCEHWHORF-KWQFWETISA-N 192.262 1.086 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cn(C)cn1 710178449 RVKPJLBLBUPPJW-RXMQYKEDSA-N 151.173 1.791 10 10 ADCE CO[C@H](C)[C@@H]1CNc2ccccc2N1 953035926 SHKALENQTALYDN-KCJUWKMLSA-N 192.262 1.928 10 10 ADCE COc1ccnc(CCN=[N+]=[N-])c1 1535771695 GBWPJGRLEZZCQU-UHFFFAOYSA-N 178.195 1.943 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccccn1 1535878117 KEWDPWSOIKTJFT-SSDOTTSWSA-N 164.168 1.425 10 10 ADCE [N-]=[N+]=NC12CCC(N)(CC1)C2 1772717223 HWXAKUICDBKUDB-UHFFFAOYSA-N 152.201 1.711 10 10 ADCE [N-]=[N+]=NCCC[S@](=O)CC1CC1 1880713370 DBZOSZNZWPINHS-LBPRGKRZSA-N 187.268 1.846 10 10 ADCE [N-]=[N+]=NC1CN(C[C@@H]2C[C@@H]2F)C1 1881087310 AUGHQOIRDXQCKC-FSPLSTOPSA-N 170.191 1.339 10 10 ADCE CC1(NCc2ccc(N)cc2)COC1 1887887979 IQVYMSXNAQXNPF-UHFFFAOYSA-N 192.262 1.147 10 10 ADCE [N-]=[N+]=NCCN1CCN[C@H]2CCC[C@H]21 1891140312 SDTHSPULECZTII-DTWKUNHWSA-N 195.270 1.123 10 10 ADCE CC[C@@H]1C[C@H]1CC(=O)NCCN=[N+]=[N-] 1892181412 WUHLWJWNXFMJTK-SFYZADRCSA-N 196.254 1.849 10 10 ADCE CCN(CCCCO)CCN=[N+]=[N-] 1954421884 MOZOVFMCQOLLPA-UHFFFAOYSA-N 186.259 1.391 10 10 ADCE CN(C)C(=O)NCC1(CN=[N+]=[N-])CC1 1957232787 KEMGDSDBUHOMMN-UHFFFAOYSA-N 197.242 1.348 10 10 ADCE C[C@@H]1CCCN(CCN=[N+]=[N-])[C@H]1CN 1957244189 NMOQSTJLSPNZJV-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H](N)C2(CCC2)C1 1957244711 RZCWYTKOFYGELM-MRVPVSSYSA-N 195.270 1.110 10 10 ADCE CCCN(CCN=[N+]=[N-])[C@@H]1CCNC1 1957245064 UURYZTDIPYXSOH-SECBINFHSA-N 197.286 1.371 10 10 ADCE CC1CN(C(=O)N2CC(N=[N+]=[N-])C2)C1 2241318739 USWRBJBOXOXVLS-UHFFFAOYSA-N 195.226 1.053 10 10 ADCE C[C@H]1CCN1C(=O)N1CC(N=[N+]=[N-])C1 2241325254 NJCMSBHDGPQZJG-LURJTMIESA-N 195.226 1.195 10 10 ADCE Cc1ncn(CCN=[N+]=[N-])c1C 51927762 SKWBQVABUMDXTL-UHFFFAOYSA-N 165.200 1.810 10 10 ADCE CC(C)=S 59102075 JTNXQVCPQMQLHK-UHFFFAOYSA-N 74.148 1.396 10 10 ADCE in-vitro N[C@@H]1CCOc2sc(C=O)c(O)c21 82911786 KXUIAGNLGGLCHK-SCSAIBSYSA-N 199.231 1.049 10 10 ADCE CCC[C@@H](NCCN=[N+]=[N-])C(=O)O 85223827 UPGJEOMZCIOCTK-ZCFIWIBFSA-N 186.215 1.140 10 10 ADCE C[C@@H](c1cc(N)ccc1O)N(C)C 138213878 DXFGKUXGGUCFMD-ZETCQYMHSA-N 180.251 1.597 10 10 ADCE O=C(O)c1cccc([C@@H]2CCN2)c1O 211590501 SNGXXMHHBTWWJM-QMMMGPOBSA-N 193.202 1.125 10 10 ADCE CO[C@H](CCC(=O)O)CN=[N+]=[N-] 238400604 FEWCGAXBDGUQBE-RXMQYKEDSA-N 173.172 1.177 10 10 ADCE CN1C[C@H](N)C[C@H]1c1ccccc1O 250608417 LYBKFKLVTLDLTM-SCZZXKLOSA-N 192.262 1.096 10 10 ADCE Nc1c(F)ccc([C@H]2CCCN2)c1O 306309962 LXLRSIBPSKGXNH-MRVPVSSYSA-N 196.225 1.538 10 10 ADCE Oc1cccc(CNCCCF)c1O 379513959 VSRVSLLZWUTUKS-UHFFFAOYSA-N 199.225 1.547 10 10 ADCE Nc1ccc(NC2CSC2)cc1 575456802 NNOWWJOZNNQWDX-UHFFFAOYSA-N 180.276 1.796 10 10 ADCE CC(C)[C@@]1(C)CO[C@H](CN=[N+]=[N-])N1 885456420 RSKNLHTYJRXWLP-HTQZYQBOSA-N 184.243 1.657 10 10 ADCE CCn1ccc([C@@H](CO)N=[N+]=[N-])n1 1535702196 UZFBLYQAZAJEBJ-SSDOTTSWSA-N 181.199 1.247 10 10 ADCE NCc1ccc2c(c1)CCN2CCF 1888098340 CDPJRTRSBJSUBE-UHFFFAOYSA-N 194.253 1.477 10 10 ADCE CCOC(=O)C(C)=CO 1911537016 UPWSFLJBKRQKBD-UHFFFAOYSA-N 130.143 1.011 10 10 ADCE C[C@H](O)C1CN(CCCCN=[N+]=[N-])C1 1912153301 ARJYMLDMVPFRKN-QMMMGPOBSA-N 198.270 1.390 10 10 ADCE CC(C)(CN1CC(N=[N+]=[N-])C1)C(=O)O 1912171512 LPZSCGGSKSJING-UHFFFAOYSA-N 198.226 1.092 10 10 ADCE CN[C@H](COC)c1cc(F)ccc1O 1951867949 LTYMQBSFYXGCQD-SECBINFHSA-N 199.225 1.438 10 10 ADCE Oc1ccc(O)c([C@H]2NCC[C@H]2F)c1 1952822827 DLLBUNWLWQMEJC-PSASIEDQSA-N 197.209 1.470 10 10 ADCE Oc1c(F)cccc1[C@H]1NCC[C@H]1F 1952828963 GPLSBAGWBUJTQN-VXNVDRBHSA-N 199.200 1.904 10 10 ADCE C[C@@H](N)[C@H]1CCCN(CCN=[N+]=[N-])C1 1957244246 OFOPGTFFFILBAO-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NCCCn1ccc(O)cc1=O 1957328900 FMXIQCLEZORSKN-UHFFFAOYSA-N 194.194 1.254 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@]2(F)C1 2209368317 XOEZZYYKWSNYEU-YUMQZZPRSA-N 184.218 1.731 10 10 ADCE CC1(C[S@@](=O)CCN=[N+]=[N-])CC1 2241450060 MQNJDPWHBLWPLY-LBPRGKRZSA-N 187.268 1.846 10 10 ADCE CN[C@@H]1CCc2cc(O)c(O)cc21 38386863 QBLRJQPPWMFXFH-MRVPVSSYSA-N 179.219 1.305 10 10 ADCE C[C@@H](C(=O)O)c1ccc(O)c(CN)c1 84250432 DANSSHYOOFVHGF-ZCFIWIBFSA-N 195.218 1.039 10 10 ADCE Nc1ccc(NC2CC(O)C2)cc1 84421899 NTUQVBCNCMEJNQ-UHFFFAOYSA-N 178.235 1.204 10 10 ADCE N[C@H]1C[C@H]2C[C@H]1c1ccc(O)c(O)c12 100710740 ZQYGMDJAMQSGGK-DTLFHODZSA-N 191.230 1.400 10 10 ADCE CON[C@@H](C)c1ccc(C)cc1O 134239148 GJMMHGHJZDHCIA-QMMMGPOBSA-N 181.235 1.913 10 10 ADCE Oc1cccc(F)c1[C@H]1CCN1 211795065 KVMKRDVQZWJCOQ-SSDOTTSWSA-N 167.183 1.566 10 10 ADCE CC[C@@H](O)N=[N+]=[N-] 238273071 SEOVUYCETFJOGT-GSVOUGTGSA-N 101.109 1.025 10 10 ADCE O=C(O)c1cccc2c1C(=O)CC2=O 238677598 SYHZDXVELMAICH-UHFFFAOYSA-N 190.154 1.154 10 10 ADCE [N-]=[N+]=NC[C@H](O)c1cccc(O)c1 238682043 DIDQWHGIEULWJA-QMMMGPOBSA-N 179.179 1.736 10 10 ADCE Oc1cccc2c1CNC21CC1 259896015 ZJIGXYNXISFIJY-UHFFFAOYSA-N 161.204 1.485 10 10 ADCE CO[C@H]1CC[C@@H](N=[N+]=[N-])C1 307458135 BVHHNNIKZRARMF-RITPCOANSA-N 141.174 1.864 10 10 ADCE C[C@H](O)C[C@@H]1CCCN1CCN=[N+]=[N-] 379507844 NQVUSVRVAUQOPZ-IUCAKERBSA-N 198.270 1.532 10 10 ADCE CC[C@@H]1C[C@H]1C(=O)NCCN=[N+]=[N-] 387543175 GVOUQVVOMOCWSN-RNFRBKRXSA-N 182.227 1.459 10 10 ADCE Cc1ccc(O)c([C@@H](N)CCCN)c1 575440496 ZMPNBOMQOXKYPM-JTQLQIEISA-N 194.278 1.439 10 10 ADCE C[C@@H]1C[C@@H]1[C@H](CO)N=[N+]=[N-] 1535691885 XPHPLNYLPSUPMN-SRQIZXRXSA-N 141.174 1.314 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H](O)C12CCC2 1912157034 QUANMUYXDYOJQU-MRVPVSSYSA-N 196.254 1.286 10 10 ADCE C[C@H]1CCN(CCCCN=[N+]=[N-])C1=O 1912186773 BYENURXXBZCRFA-QMMMGPOBSA-N 196.254 1.945 10 10 ADCE CN1CC(N(C)CCCCN=[N+]=[N-])C1 1912209168 ZDCGYWHSTXYFRL-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE C[C@@H]1OCC[C@]1(N)c1ccccc1O 1928466119 BKUKCYNESXDJJN-GZMMTYOYSA-N 193.246 1.355 10 10 ADCE C[C@]1(N)C[C@@H]1c1ccc(O)c(O)c1 1952390412 QCIKUXQIZNBJAA-XCBNKYQSSA-N 179.219 1.303 10 10 ADCE Nc1cccc(F)c1N[C@H]1C[C@H]1CO 1955090825 LHGXQXCCWDHOHW-RCOVLWMOSA-N 196.225 1.201 10 10 ADCE Cc1ccc([C@@H](N)CO)c(O)c1C 72197451 MMHDHXSMJNTVTJ-VIFPVBQESA-N 181.235 1.001 10 10 ADCE Nc1[nH]ncc1-c1ccc(O)c(O)c1 72417134 ZWDMRNLTIKELND-UHFFFAOYSA-N 191.190 1.070 10 10 ADCE CC(C)[C@@H](N)c1c(F)ccc(N)c1O 104506028 VPTXRNNFVMSOIQ-SECBINFHSA-N 198.241 1.769 10 10 ADCE Cc1cccc(CNC2COC2)c1O 159153368 MWCGAKFMQYXNFQ-UHFFFAOYSA-N 193.246 1.189 10 10 ADCE Oc1c(F)ccc([C@@H]2CCCN2)c1O 212167438 GFDGNZDNAJYYEY-QMMMGPOBSA-N 197.209 1.661 10 10 ADCE CN(O)Cc1c(O)ccc(O)c1F 214469107 FQXAEWMSCIQMCS-UHFFFAOYSA-N 187.170 1.058 10 10 ADCE [N-]=[N+]=NCCNC(=O)CC1CCC1 232170896 NZNDOOQGSLDSNG-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE CCC(Cl)(CC)C(=O)C(C)=O 238201051 KAPNEKUHVHQLQD-UHFFFAOYSA-N 176.643 1.942 10 10 ADCE CN[C@@H](CO)c1c(C)ccc(F)c1O 238354494 APAPJEIWRMBLCZ-QMMMGPOBSA-N 199.225 1.093 10 10 ADCE CSc1ccc(CNO)c(O)c1 258072777 MJRIQWMWTDELKF-UHFFFAOYSA-N 185.248 1.593 10 10 ADCE CN(C)c1ccc([C@H]2CCN2)cc1F 1535718269 OIMRZNOTWQWKBE-SNVBAGLBSA-N 194.253 1.926 10 10 ADCE CC(C)n1cc([C@@H](CO)N=[N+]=[N-])cn1 1535804534 ZQEDDYCCKMZSQG-MRVPVSSYSA-N 195.226 1.808 10 10 ADCE COC[C@H]1CC[C@@H](N=[N+]=[N-])CC1=O 1882573339 AOIMKHCSXHFDDR-RNFRBKRXSA-N 183.211 1.681 10 10 ADCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@@H]1C 1887718487 YDKHVQUQZIFZCC-YUMQZZPRSA-N 196.254 1.801 10 10 ADCE CC=C(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1888807020 FEQTXPOVDIJXEP-MRVPVSSYSA-N 194.238 1.864 10 10 ADCE [N-]=[N+]=NC1CN(CC[C@@H]2CCCO2)C1 1912183244 MXKSKWAJKVERMY-VIFPVBQESA-N 196.254 1.550 10 10 ADCE CC[C@H]1CCCC[C@@]1(O)C(=O)C(C)=O 1929142601 WNIVUFNBIGMIIT-ONGXEEELSA-N 198.262 1.476 10 10 ADCE Cn1cccc1C=C1CCNCC1 1951499365 WVIHIVNCSRNPIN-UHFFFAOYSA-N 176.263 1.792 10 10 ADCE O=C1CN[C@H](c2ccc(F)cc2O)C1 1951960880 LLWQGWZWQBUAQP-VIFPVBQESA-N 195.193 1.135 10 10 ADCE C[C@H](CN=[N+]=[N-])CNC1CC1 1953297628 XGYYIHFGVOPBHV-LURJTMIESA-N 154.217 1.685 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 1954431709 BEZAVBXSEDIEQV-XAVMHZPKSA-N 178.239 1.637 10 10 ADCE CN(CCN=[N+]=[N-])[C@@H]1[C@H]2C[C@@H]2[C@H]2C[C@H]21 1955005083 NBHWXBFPMUCHGL-VFCFLDTKSA-N 192.266 1.883 10 10 ADCE C[C@H](N)[C@H]1CCN(CCCN=[N+]=[N-])C1 1957250782 RQFOHLXWFJQEJC-IUCAKERBSA-N 197.286 1.356 10 10 ADCE Cc1cccc([C@H](C)NN)c1O 2070177067 RUYCFLRGBSJRHG-ZETCQYMHSA-N 166.224 1.225 10 10 ADCE CC(C)(C)C(=O)NCCN=[N+]=[N-] 42375162 BWYUHLIDSYGXGK-UHFFFAOYSA-N 170.216 1.459 10 10 ADCE CC(C)(N)C(=O)c1ccc(O)c(O)c1 74245096 RUODFLRKMNTYEA-UHFFFAOYSA-N 195.218 1.018 10 10 ADCE CNCc1ccc(F)c(F)c1O 107333320 BOQOHVGMAPOBKN-UHFFFAOYSA-N 173.162 1.390 10 10 ADCE C[C@@H](N=[N+]=[N-])C(C)(C)O 197579456 KPZLLYYLCNDBRM-SCSAIBSYSA-N 129.163 1.456 10 10 ADCE CC(C)NC(=O)CCCCN=[N+]=[N-] 238206752 FCFIOWXPIRHVDO-UHFFFAOYSA-N 184.243 1.992 10 10 ADCE C[C@H](CC1(C)OCCO1)N=[N+]=[N-] 238465828 WXFLCFPROSBIQB-ZCFIWIBFSA-N 171.200 1.838 10 10 ADCE O=C1N[C@@H]2c3occc3C[C@H]2/C1=C/O 238609012 HNUHXEBIXDBIRX-QFKPWTNMSA-N 191.186 1.065 10 10 ADCE [N-]=[N+]=NCCOC(=O)n1ccnc1 238625268 KIESJPLDAGWPAJ-UHFFFAOYSA-N 181.155 1.178 10 10 ADCE CCCn1ccnc1C1=CCCNC1 306612837 JKFDRPQWHIIQQU-UHFFFAOYSA-N 191.278 1.670 10 10 ADCE [N-]=[N+]=N[C@H]1C(=O)[C@@H]2CC[C@H]1C2 307633431 NWGYSIYHBPMJSM-KVQBGUIXSA-N 151.169 1.664 10 10 ADCE CNC(=O)N=Nc1nccs1 307872634 WLDHKWFNVHXBDO-UHFFFAOYSA-N 170.197 1.566 10 10 ADCE [N-]=[N+]=NCCN1CCC12CCOCC2 707555284 CSRYDUNEENDOTI-UHFFFAOYSA-N 196.254 1.552 10 10 ADCE CC(C)(C)n1nnc(CCN=[N+]=[N-])n1 1535714646 BQMVSZOEWKZPFN-UHFFFAOYSA-N 195.230 1.281 10 10 ADCE Cc1ccc(O)c(C[N+](=O)[O-])c1 1535734410 JRHXRPKWIBCOKP-UHFFFAOYSA-N 167.164 1.477 10 10 ADCE [N-]=[N+]=NC1CC([C@@H]2C[C@H]2C(=O)O)C1 1857786756 XLPGOMPWLUPYCE-GOXNJFHPSA-N 181.195 1.796 10 10 ADCE [N-]=[N+]=NCCCCN1CCCC1=O 1912193338 NNJRWHAQFHTPTF-UHFFFAOYSA-N 182.227 1.699 10 10 ADCE COc1cccc(C(=O)C(C)=O)c1O 1951523333 DTEKZGKWROYBCY-UHFFFAOYSA-N 194.186 1.173 10 10 ADCE Oc1ccc(C=C2CNC2)cc1O 1951590084 BNOGXIVNEJLJRM-UHFFFAOYSA-N 177.203 1.084 10 10 ADCE C[C@@H]1C[C@@]1(N)c1cccc(F)c1O 1951732763 MVUZVEWQYWIRRN-LDWIPMOCSA-N 181.210 1.725 10 10 ADCE [N-]=[N+]=NCC1CC(O)C1 1953134823 MHZUPLVZDQMWFO-UHFFFAOYSA-N 127.147 1.068 10 10 ADCE C[C@H]1[C@H](N)CCN1CCCN=[N+]=[N-] 1954206804 MHGSYRSQTJQEDV-JGVFFNPUSA-N 183.259 1.108 10 10 ADCE C[C@@H]1NC[C@H](C)N(CCN=[N+]=[N-])[C@H]1C 1957248949 GPJSJVVOWFPHQT-CIUDSAMLSA-N 197.286 1.367 10 10 ADCE [N-]=[N+]=N[C@H]1CNC2(CCC2)C1 2208940164 CXAJLOYEGVONFL-ZCFIWIBFSA-N 152.201 1.581 10 10 ADCE [N-]=[N+]=NCCCS[C@H]1CC[C@@H]1O 2242409718 PJMWUJRISNARAB-BQBZGAKWSA-N 187.268 1.943 10 10 ADCE CCCOC(=O)c1ccc(O)c(O)c1 27312202 DZPQPQLYRIVMGC-UHFFFAOYSA-N 196.202 1.665 10 10 ADCE CN(C)/N=N/c1[nH]cnc1Cl 39133290 UCUDHQNYILULDU-MDZDMXLPSA-N 173.607 1.623 10 10 ADCE Oc1ccc2c(O)c(O)cc(O)c2c1 62719994 PQLLHLXZNNGJNA-UHFFFAOYSA-N 192.170 1.662 10 10 ADCE CCN(c1ccc(N)cc1)[C@@H](C)O 114025871 BMMSRJQTOJOOBW-MRVPVSSYSA-N 180.251 1.433 10 10 ADCE COc1cc(O)c(C2(N)CC2)cc1F 214872794 IPJBSHCZXFFYFN-UHFFFAOYSA-N 197.209 1.488 10 10 ADCE CCOc1cc([C@@H](C)N)cc(O)c1O 238271698 LDOBADVHXGSPCO-ZCFIWIBFSA-N 197.234 1.516 10 10 ADCE CN(C)N=Nc1nccs1 307827004 HEGKKTSVQAROKG-UHFFFAOYSA-N 156.214 1.703 10 10 ADCE CC1(C)[C@@H]2COC(=O)/C(=C\O)[C@H]21 379329095 SMBCTICYQRFHME-ODUFKJAESA-N 168.192 1.257 10 10 ADCE Cc1cc(F)cc([C@H](N)CCN)c1O 575438814 BANNNUAUXQTJOW-SECBINFHSA-N 198.241 1.188 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccsn1 705427015 JWMVVIFIPCKEQZ-UHFFFAOYSA-N 197.223 1.183 10 10 ADCE COc1cc([C@@H](C)CN)cc(O)c1O 1535817594 LYGQNCRYNQSONL-LURJTMIESA-N 197.234 1.169 10 10 ADCE [N-]=[N+]=NC[C@H](O)CCC1CC1 1889427726 JORXWGXMZZZQTN-SSDOTTSWSA-N 155.201 1.848 10 10 ADCE CC1(C)C[C@@H](N2CC(N=[N+]=[N-])C2)CO1 1893829692 CDWCGWPBHYREFA-MRVPVSSYSA-N 196.254 1.548 10 10 ADCE CCOC[C@@](C)(N)c1ccccc1O 1928477553 WFBRBUVISPNBJK-LLVKDONJSA-N 195.262 1.603 10 10 ADCE CC(=O)C(=O)C1(O)CCCCCC1 1929118384 VTTQGNYFWMRLLF-UHFFFAOYSA-N 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199.200 1.904 10 10 ADCE CCN=c1cc(CN=[N+]=[N-])cc[nH]1 1954831245 AXVAULAEOOBQBY-UHFFFAOYSA-N 177.211 1.746 10 10 ADCE CO[C@H](C)CCN1CC[C@H](N=[N+]=[N-])C1 1956341337 GQPNRXKSUVNOCY-BDAKNGLRSA-N 198.270 1.796 10 10 ADCE [N-]=[N+]=NCCN1CCCC[C@H](CN)C1 1957244119 MNUOLUXEHSMMFS-SECBINFHSA-N 197.286 1.358 10 10 ADCE C[C@@H](O)[C@@H]1C[C@H]1Nc1ccc(N)cc1 2297130363 WAGJGIAMJRAQNF-PPKCKEKNSA-N 192.262 1.450 10 10 ADCE CN[C@@H](C)c1cc(O)ccc1O 21966047 KWPGONVIHWQYFL-LURJTMIESA-N 167.208 1.378 10 10 ADCE [N-]=[N+]=NCCNC(=O)N1CCCCC1 85962821 SOTOESNUQHDBJP-UHFFFAOYSA-N 197.242 1.492 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H](C)C(=O)O 86309005 XAJCOOLVJPADJQ-DMTCNVIQSA-N 143.146 1.406 10 10 ADCE N[C@@H]1CCCc2c1cc(O)c(O)c2O 95786776 LKIRGLQDAJGYQW-SSDOTTSWSA-N 195.218 1.140 10 10 ADCE CC(=O)OCc1ccc(N)cc1 140236048 DAPLJCSYWNJZLU-UHFFFAOYSA-N 165.192 1.332 10 10 ADCE C[C@H](N)c1cc2c(cc1O)OCCO2 212148093 MVGBVUBBNOJFPQ-LURJTMIESA-N 195.218 1.183 10 10 ADCE Oc1cc(F)cc2c1CNCC2 212276121 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c1csc(SCC2CNC2)n1 306880227 KMKSFYXWEUGAEM-UHFFFAOYSA-N 186.305 1.455 10 10 ADCE CO[C@]12C[C@H](C)CCC1=C(C)[C@H](O)O2 306973511 VLLRKQRIPBXBIV-ONOSFVFSSA-N 198.262 1.814 10 10 ADCE O=NCc1cccc([N+](=O)[O-])c1O 694989513 FTXICYOOFPFWIJ-UHFFFAOYSA-N 182.135 1.567 10 10 ADCE CC(C)[C@@H]1CN(CCN=[N+]=[N-])CCO1 708878378 IEBRJWWKTFWKLH-VIFPVBQESA-N 198.270 1.654 10 10 ADCE CN[C@H](c1ccccc1O)C1COC1 1884428812 MIQFWCPQDRWFRW-NSHDSACASA-N 193.246 1.299 10 10 ADCE CN(c1ccc(N)cc1)C1CC(N)C1 1889039755 QYFQCCFYOFHOSB-UHFFFAOYSA-N 191.278 1.195 10 10 ADCE CC(C)[C@H]1C[C@H](O)CN1CCN=[N+]=[N-] 1892801052 KNCRHUOJHSBJSK-DTWKUNHWSA-N 198.270 1.388 10 10 ADCE CC1=CCN(c2ccc(CO)cc2)C1 1894339669 NJYBYOFXLSFHSD-UHFFFAOYSA-N 189.258 1.945 10 10 ADCE CCNCCC=C(C)c1nccn1C 1911554141 FZGGFIWHHUNNQQ-UHFFFAOYSA-N 193.294 1.823 10 10 ADCE CC(=O)C(=O)[C@](C)(O)CC(C)(C)C 1929133186 AMFMEXCBUXGHKB-SNVBAGLBSA-N 186.251 1.332 10 10 ADCE CNCCN(CCN=[N+]=[N-])C(C)C 1954209021 XPZTVSJRAYSMTJ-UHFFFAOYSA-N 185.275 1.227 10 10 ADCE C[C@@H]1[C@H](CN2CC(N=[N+]=[N-])C2)[C@@H]1C 1954594518 RJWHQCRTDWLOFZ-SRSLHRDFSA-N 180.255 1.883 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])[C@@H](C)CN1 1957248558 CUTCLBFTOSDJQH-IUCAKERBSA-N 197.286 1.369 10 10 ADCE [N-]=[N+]=NCC1(CN=[N+]=[N-])COCOC1 34101264 IQTKUJQNJAHKHA-UHFFFAOYSA-N 198.186 1.598 10 10 ADCE Oc1cccc(F)c1[C@@H]1COCCN1 95693283 HDSSUDRVMLJWLO-QMMMGPOBSA-N 197.209 1.192 10 10 ADCE C[C@H](O)[C@H](C)SCCN=[N+]=[N-] 235582059 SOFCVLVTESFMDS-WDSKDSINSA-N 175.257 1.799 10 10 ADCE Nc1ccc(O)c2c1CCC[C@@H]2N 238583245 GBVJXYXOJHMVMT-QMMMGPOBSA-N 178.235 1.311 10 10 ADCE [N-]=[N+]=NC[C@@H](O)c1ccc(O)cc1 238707646 LKAIGXQWQNQWFI-MRVPVSSYSA-N 179.179 1.736 10 10 ADCE C[C@@](O)(CN=[N+]=[N-])C(F)(F)F 307722853 ZHJOEHOHIJGYMG-GSVOUGTGSA-N 169.106 1.610 10 10 ADCE [N-]=[N+]=NCCNC(=O)CCC1CC1 400776736 NRYWGQWKNKYRAK-UHFFFAOYSA-N 182.227 1.603 10 10 ADCE C[C@H]1CCCN(CCN=[N+]=[N-])[C@H]1CO 688705560 QGNHHOIZCSDNSQ-IUCAKERBSA-N 198.270 1.390 10 10 ADCE C/C(=C/c1nccn1C)[C@@H]1CCNC1 708541656 YOWYKRFKXWTANG-UJICNMFASA-N 191.278 1.433 10 10 ADCE CC[C@@H](OC)[C@@H](CO)N=[N+]=[N-] 1535787324 PUAIIYRUBGHXQO-PHDIDXHHSA-N 159.189 1.083 10 10 ADCE COC[C@@H](C)CCN1CC(N=[N+]=[N-])C1 1887135634 MOSVHYXRLUZWOQ-QMMMGPOBSA-N 198.270 1.654 10 10 ADCE C[C@@H]1NCCC1=Cc1nccn1C 1932924739 UKVYTHVNUVPFNL-QMMMGPOBSA-N 177.251 1.185 10 10 ADCE [N-]=[N+]=NCCCN1CC[C@@H]2C[C@]2(O)C1 1956821930 OKQIRLGMWZMHNP-BDAKNGLRSA-N 196.254 1.144 10 10 ADCE O=Cc1c(Cl)ncnc1C=S 35269627 SSWMCVNSWBDGTK-UHFFFAOYSA-N 186.623 1.290 10 10 ADCE Oc1cccc(C2OCCO2)c1O 44227397 OLUHTKJMADOGQA-UHFFFAOYSA-N 182.175 1.143 10 10 ADCE Cn1cc(N)c2ccc(CCN)cc21 76633675 ZDCYMRPCVCMZLN-UHFFFAOYSA-N 189.262 1.262 10 10 ADCE CCc1ccc([C@@H](N)CCO)c(O)c1 95770667 OXQSXPBPHITPNB-JTQLQIEISA-N 195.262 1.337 10 10 ADCE Oc1ccccc1[C@@H]1CCN1 95784705 JWJXBYRERUVKHY-QMMMGPOBSA-N 149.193 1.427 10 10 ADCE c1ccc(/N=N\N2CCNCC2)cc1 100284234 WOFAPPKBZWDMRX-SEYXRHQNSA-N 190.250 1.591 10 10 ADCE C1=S=Cc2c[nH]cc21 104700675 IJCNMKJUBOHIBJ-UHFFFAOYSA-N 123.180 1.062 10 10 ADCE [N-]=[N+]=N[C@H]1C=C[C@H](C[N+](=O)[O-])C1 196734399 RMNYKGLFELZXJE-WDSKDSINSA-N 168.156 1.518 10 10 ADCE [N-]=[N+]=NCC[C@H](O)CN=[N+]=[N-] 214734823 BKXNZCKVKVBCHT-BYPYZUCNSA-N 156.149 1.358 10 10 ADCE COC(C)(CN=[N+]=[N-])OC 220940360 RKFALECZJSVSDV-UHFFFAOYSA-N 145.162 1.306 10 10 ADCE CC(=O)OC[C@H]1CC=C[C@@H](N=[N+]=[N-])O1 238165307 DPRFZDJYNBAXLV-SFYZADRCSA-N 197.194 1.531 10 10 ADCE O=C1NCC[C@@H](c2ccccc2O)N1 257867421 SIZDEBUBOAVSCK-QMMMGPOBSA-N 192.218 1.136 10 10 ADCE Cc1ccc(O)c([C@H](N)[C@@H](C)N)c1 306750959 KYBZQGABYSAEFU-GMSGAONNSA-N 180.251 1.048 10 10 ADCE OCc1csc2ccc(O)c(O)c12 307303506 OYQMGHXOIAOJLF-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CC(C)(F)C(=O)NCCN=[N+]=[N-] 393317338 YQBIRWDFFSBNLY-UHFFFAOYSA-N 174.179 1.161 10 10 ADCE Cn1c(Cl)cnc1C=C1CC(N)C1 575451503 IAEAZMFTFRIVIU-UHFFFAOYSA-N 197.669 1.578 10 10 ADCE NCC1=S=C/C(=C2/N=CCS2)C1 725539477 NLIJIMLGZQYNOR-VURMDHGXSA-N 198.316 1.086 10 10 ADCE O=[N+]([O-])Cc1cc(F)cc(F)c1O 1535815524 XIMYJEBPGVUUSV-UHFFFAOYSA-N 189.117 1.447 10 10 ADCE C[C@@H]1OCC[C@H]1CN(C)CCN=[N+]=[N-] 1884942993 WXSIWPVWWQQZKM-IUCAKERBSA-N 198.270 1.654 10 10 ADCE OCc1ccc(N2CC=CC2)cc1F 1891139507 MPYXRPCXFMGIKY-UHFFFAOYSA-N 193.221 1.694 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@H](CC2CC2)CO1 1912189823 YZRPGAOPEWVDOY-SFYZADRCSA-N 182.227 1.411 10 10 ADCE CCOCCN1CC[C@@H](N=[N+]=[N-])C1 1912192502 GWCKZNCOTPIARE-MRVPVSSYSA-N 184.243 1.408 10 10 ADCE C[C@H](CCN)c1cc(O)c(O)c(O)c1 1951736784 FMQQQUSPWSJSEN-ZCFIWIBFSA-N 197.234 1.256 10 10 ADCE [N-]=[N+]=NCCOc1cccc(N)c1 1954080599 AUAYLMANEWHDOG-UHFFFAOYSA-N 178.195 1.958 10 10 ADCE CCCNCCc1ccc(O)c(O)c1 34307948 WYIZELDTYZKNIL-UHFFFAOYSA-N 195.262 1.640 10 10 ADCE Cc1cc(C)c(O)c(CN(C)O)c1 82873772 QGGHYJCBHXOBDK-UHFFFAOYSA-N 181.235 1.830 10 10 ADCE C[C@@H](N)c1cc(C=O)ccc1O 83591175 DNEAQYMAYOITLR-ZCFIWIBFSA-N 165.192 1.224 10 10 ADCE C[C@H](CN=[N+]=[N-])C[C@@H](C)CO 137633618 SOFQMAFMVYCFOO-NKWVEPMBSA-N 157.217 1.951 10 10 ADCE CC[C@H](N)c1cc(N)cc(F)c1O 211735144 OPBMCQHCXNEZEU-QMMMGPOBSA-N 184.214 1.523 10 10 ADCE Nc1ccc(NN2CCCC2)cc1 231445636 KXQQMOSMCXFEMW-UHFFFAOYSA-N 177.251 1.692 10 10 ADCE CC[C@@H](N)c1cc(O)cc(F)c1O 238276324 AUPRKBIISHQIDM-MRVPVSSYSA-N 185.198 1.647 10 10 ADCE CO[C@@]12C[C@H](C)CCC1=C(C)[C@@H](O)O2 307703260 VLLRKQRIPBXBIV-PPKCKEKNSA-N 198.262 1.814 10 10 ADCE CCOC(=O)/C(Br)=C\O 307795463 DPZFKDBCMCWFOE-ONEGZZNKSA-N 195.012 1.344 10 10 ADCE C/C=C(/N=[N+]=[N-])C(=O)OC 394926172 BIBDJLUMKCIVTO-ONEGZZNKSA-N 141.130 1.374 10 10 ADCE C[C@@H]1CC[C@H]([C@H](CO)N=[N+]=[N-])O1 1535755018 WJHRNCBRQBWPLS-DSYKOEDSSA-N 171.200 1.225 10 10 ADCE [N-]=[N+]=N[C@H]1COCCC(F)(F)[C@@H]1O 1912156576 MXJVANWYNQLXGK-CRCLSJGQSA-N 193.153 1.082 10 10 ADCE C[C@@H](O)CCN1CCC(N=[N+]=[N-])CC1 1912186099 ZRCLIBJNZURADP-MRVPVSSYSA-N 198.270 1.532 10 10 ADCE Nc1ccc(COc2ncco2)cc1 1930523512 FLWXIDVSJMIHOM-UHFFFAOYSA-N 190.202 1.836 10 10 ADCE [N-]=[N+]=NCCCN1C(=O)CC12CCC2 1955263718 WHHJSINSYOYFKV-UHFFFAOYSA-N 194.238 1.842 10 10 ADCE CC(C)CN(CCN)CCCN=[N+]=[N-] 1957243518 GEJYAXCECAWUTE-UHFFFAOYSA-N 199.302 1.604 10 10 ADCE CN(CCN=[N+]=[N-])Cc1ccncc1 42415969 NISJIFGTMQCAQH-UHFFFAOYSA-N 191.238 1.824 10 10 ADCE CC(C)c1cccc([C@@H](N)CN)c1O 72200428 QCLPTQGWISOVEZ-JTQLQIEISA-N 194.278 1.474 10 10 ADCE Cc1cc2c(CN)c(O)ccc2[nH]1 82869033 CLBHIVHFMJMVOS-UHFFFAOYSA-N 176.219 1.641 10 10 ADCE COc1cccc(O)c1[C@H]1CCN1 95784477 SMJNEFOSHKDUDN-SSDOTTSWSA-N 179.219 1.435 10 10 ADCE C[C@H](N=[N+]=[N-])C(=O)NC1CCCC1 104701601 NPKNUIHPIQDOKL-LURJTMIESA-N 182.227 1.744 10 10 ADCE Cc1ccc(/N=N/N(C)CCO)cc1 196463837 GWFXTTACIYQJQC-VAWYXSNFSA-N 193.250 1.918 10 10 ADCE CCOC(=O)C[C@@H](CN=[N+]=[N-])N=[N+]=[N-] 231422677 RBXMGFLZBQNLFY-YFKPBYRVSA-N 198.186 1.929 10 10 ADCE CCC(=O)c1cc(O)c(O)c(OC)c1 238241337 SBKWBAMSCHRKJD-UHFFFAOYSA-N 196.202 1.699 10 10 ADCE CC[C@](C)(N)Cc1ccc(N)cc1 238284491 PXLQIPCUWCBNSR-NSHDSACASA-N 178.279 1.939 10 10 ADCE [N-]=[N+]=N[C@@H](C(=O)O)C1CC1 238668676 GBODYELWDSRWTK-SCSAIBSYSA-N 141.130 1.160 10 10 ADCE CCOc1ccc(N2CC(N)C2)cc1 259286932 UASSCVPIERGIRB-UHFFFAOYSA-N 192.262 1.233 10 10 ADCE COC(=O)/C(C)=C\N=[N+]=[N-] 306342770 KTMLLKWKPHBXQD-ARJAWSKDSA-N 141.130 1.374 10 10 ADCE CCC[S@](=O)NCCCN=[N+]=[N-] 385784218 GDROAKXHHAETPF-LBPRGKRZSA-N 190.272 1.350 10 10 ADCE [N-]=[N+]=NCC(CN=[N+]=[N-])O[N+](=O)[O-] 687750975 FEQQTQPFNRZJQP-UHFFFAOYSA-N 187.119 1.184 10 10 ADCE [N-]=[N+]=NCCc1cccc(O)c1O 1535731104 LXTGOYOKBUIGOP-UHFFFAOYSA-N 179.179 1.951 10 10 ADCE COC[C@@H](C)COc1ccc(N)cc1 1896912438 TUARAFREFPNZNM-SECBINFHSA-N 195.262 1.930 10 10 ADCE C[C@H]1CCN[C@H]1CN=[N+]=[N-] 1912174614 BOQDSVCEDZZSCC-WDSKDSINSA-N 140.190 1.295 10 10 ADCE [N-]=[N+]=NC1CN(C[C@@H]2CC23CC3)C1 1912192345 DSWCFVUEDYYJHY-ZETCQYMHSA-N 178.239 1.781 10 10 ADCE CCC[C@@H](C=Cc1nccn1C)CN 1931119806 RXEXYHYWGHYDRE-JTQLQIEISA-N 193.294 1.808 10 10 ADCE C[C@@H]1C[C@@H](CN=[N+]=[N-])CN1 1934976654 AIPSEWDVRXXQII-PHDIDXHHSA-N 140.190 1.295 10 10 ADCE [N-]=[N+]=NCCNC1(C(=O)O)CC=CC1 1955189476 ODYNKUWRXOTNJL-UHFFFAOYSA-N 196.210 1.060 10 10 ADCE C[C@@H]1CN(CCCN=[N+]=[N-])CC[C@@H]1N 1957247687 UUHWLDCGCNAPQE-BDAKNGLRSA-N 197.286 1.356 10 10 ADCE CSc1c(F)ccc(O)c1O 2060130781 QVJANTFKCNDACL-UHFFFAOYSA-N 174.196 1.959 10 10 ADCE CC(C)[C@H](NN)c1ccc(F)cc1O 2080463515 LBISQINNGQCALF-JTQLQIEISA-N 198.241 1.692 10 10 ADCE CC(C)/N=[N+](\[O-])C(C)C 1717781 GWSLPKWCBFSXCD-FPLPWBNLSA-N 130.191 1.766 10 10 ADCE Nc1cccc2c1N[C@@H](C(=O)O)CC2 16678108 WOAXPFZIKBDPKV-MRVPVSSYSA-N 192.218 1.080 10 10 ADCE CCC(=O)C(=O)CC(C)C 84426292 SYSUDZAXYIEKGA-UHFFFAOYSA-N 142.198 1.581 10 10 ADCE N[C@H](c1cccc(F)c1O)C1CC1 95674646 BQGWPJWJCNBMMD-VIFPVBQESA-N 181.210 1.941 10 10 ADCE CSc1cccc(O)c1CN 95721166 XJXIOJZOJMSSCF-UHFFFAOYSA-N 169.249 1.573 10 10 ADCE CC(C)[C@](C)(N)c1cc(O)ccc1O 95758334 NWHAFIAADVERQG-NSHDSACASA-N 195.262 1.928 10 10 ADCE CC(C)/C(=C\O)C(=O)O 117913540 WVJAQOHECZSPBR-HWKANZROSA-N 130.143 1.169 10 10 ADCE O=C1c2ccccc2C(=O)c2c[nH]cc21 140550248 KHHWJKCXQNYAPZ-UHFFFAOYSA-N 197.193 1.790 10 10 ADCE C[C@@H](N)[C@@H](C)N=[N+]=[N-] 150319404 DYQGMXCCLSDHHS-QWWZWVQMSA-N 114.152 1.032 10 10 ADCE Cc1c[nH]c2ccc(O)c(O)c12 212147116 OMPXVCUALOQTNU-UHFFFAOYSA-N 163.176 1.888 10 10 ADCE CN(C)[C@H]1C[C@H]1c1ccc(O)c(O)c1 238300562 DBSWGRFYUPDTSK-IUCAKERBSA-N 193.246 1.515 10 10 ADCE COc1ccc(O)c2c1CCC[C@@H]2N 238381328 CYEQKLYYWHJSIN-QMMMGPOBSA-N 193.246 1.737 10 10 ADCE O=Cc1cc(O)c(O)c(O)c1Cl 238679478 XVBAFORAUMZRIB-UHFFFAOYSA-N 188.566 1.269 10 10 ADCE Cc1cc(O)nc(CN=[N+]=[N-])n1 575462089 ZXUYFOOXQJNQRS-UHFFFAOYSA-N 165.156 1.301 10 10 ADCE CCC(=O)NCc1cc(O)ccc1O 1455347456 LTTPJPAQFSLZHF-UHFFFAOYSA-N 195.218 1.124 10 10 ADCE [N-]=[N+]=NCCN1C[C@H]2COCC[C@H]21 1883243016 HFTDTEMBHGKDAC-JGVFFNPUSA-N 182.227 1.017 10 10 ADCE C[C@@H](N)C(C)(C)Oc1ccc(N)cc1 1896268951 OHZUHIYVPLWVNP-MRVPVSSYSA-N 194.278 1.773 10 10 ADCE CN1CCC[C@@H](CN=[N+]=[N-])C1=O 1912155456 LCMUBTVPQPNHIH-LURJTMIESA-N 168.200 1.165 10 10 ADCE C[C@@H](CCO)N(C)CCCN=[N+]=[N-] 1912159561 JFYNHRZMWHWNFN-QMMMGPOBSA-N 186.259 1.390 10 10 ADCE OCCC=Cc1ccc(O)c(O)c1 1951593035 RTRNKNIKOHNQMB-UHFFFAOYSA-N 180.203 1.493 10 10 ADCE CC(=O)C(=O)c1ncccc1Cl 1951934356 TWULAOOXMRWEKM-UHFFFAOYSA-N 183.594 1.507 10 10 ADCE Oc1ccc([C@@H]2C[C@@H](F)CN2)cc1O 1952877967 ZYTRBOWFOSFKPF-SFYZADRCSA-N 197.209 1.470 10 10 ADCE [N-]=[N+]=NCCCCN1CCCCN1 1954209101 YWSJFVSOZGVOIQ-UHFFFAOYSA-N 183.259 1.677 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1[C@H]2CC[C@H]21 1954484176 YCORMNZSPPVJAR-ZMONIFLSSA-N 180.211 1.069 10 10 ADCE [N-]=[N+]=NCCCCN1CCN[C@@H]2C[C@@H]21 1957243069 CIOXXLFDDIIXDH-BDAKNGLRSA-N 195.270 1.123 10 10 ADCE CSc1ccc(O)c(O)c1F 2060125060 IHXLXZGTGPTCCI-UHFFFAOYSA-N 174.196 1.959 10 10 ADCE COC(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2209152747 SQDOQKDOJGJWFD-WDSKDSINSA-N 184.199 1.574 10 10 ADCE Cc1cc(O)c(O)c(C)c1O 34155937 SMETXUPBOCFVOE-UHFFFAOYSA-N 154.165 1.420 10 10 ADCE Oc1ccc(C[C@H]2CCCO2)cc1O 39039189 NCFVBMSISZSMQV-SECBINFHSA-N 194.230 1.819 10 10 ADCE Cn1cnnc1Sc1nccs1 60217865 VOPHYXYWSHKPPT-UHFFFAOYSA-N 198.276 1.423 10 10 ADCE CCCc1cccc([C@H](N)CO)c1O 72197761 DPUGQHKMICDBPX-SNVBAGLBSA-N 195.262 1.337 10 10 ADCE Oc1ccccc1CNn1cccc1 85828308 MYUHPOIYKIEVML-UHFFFAOYSA-N 188.230 1.937 10 10 ADCE C[C@@H](Cc1ccc(N)cc1)C(N)=S 107534573 KISMJWXOCPCDFX-ZETCQYMHSA-N 194.303 1.734 10 10 ADCE CC(C)[C@H]1CC(=O)N(CCN=[N+]=[N-])C1 167288355 AGSXVJYXVKDOBU-QMMMGPOBSA-N 196.254 1.801 10 10 ADCE ONCc1cc(F)cc(Cl)c1O 214665825 XWRHRMHSBPTZDN-UHFFFAOYSA-N 191.589 1.664 10 10 ADCE [N-]=[N+]=N[C@@H](C[N+](=O)[O-])C(F)(F)F 221294280 QAFSYXQVUAVJRR-REOHCLBHSA-N 184.077 1.504 10 10 ADCE Cc1ccc(O)c([C@H](N)C(F)F)c1 238457906 XPTRXJGUAHEJAM-QMMMGPOBSA-N 187.189 1.966 10 10 ADCE NC(=O)/N=N/c1cccc(F)c1 238575371 AFKZYSYPQUHCHN-ZHACJKMWSA-N 167.143 1.988 10 10 ADCE Cc1cc(O)c(O)cc1C1(N)CC1 257875460 ZFFQAXNYCCISRC-UHFFFAOYSA-N 179.219 1.354 10 10 ADCE Nc1ccc(Nc2cn[nH]c2)cc1 259645465 GVVMAIGKUOARKY-UHFFFAOYSA-N 174.207 1.736 10 10 ADCE c1csc(SCc2ncon2)n1 306546904 AVBHLBKCTGMKBX-UHFFFAOYSA-N 199.260 1.818 10 10 ADCE Nc1cc2ccc(O)c(O)c2s1 306661297 RPOCTFHLDGRBGV-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE C[C@@H]1[C@H](O)CCCN1CCCN=[N+]=[N-] 384986531 ZUQHVEKOTBFMKA-RKDXNWHRSA-N 198.270 1.532 10 10 ADCE COc1ccc2c(c1)[C@@H](O)CN2C 527410357 MWDIGPIOSSPVNA-JTQLQIEISA-N 179.219 1.178 10 10 ADCE COCC1(N(C)CCCN=[N+]=[N-])CC1 707119460 ZODHWPFWMOANLA-UHFFFAOYSA-N 198.270 1.798 10 10 ADCE CC(C)c1nc#cc(NN=N)n1 885271374 NVVMUPAUHHKVNQ-UHFFFAOYSA-N 163.184 1.558 10 10 ADCE Cc1nn(C)c(C)c1[C@@H](CO)N=[N+]=[N-] 1535781295 ZWKVXEQXYIYEFH-SSDOTTSWSA-N 195.226 1.381 10 10 ADCE CC[C@@H]1CCOCCN1CCN=[N+]=[N-] 1912162115 ROTSNBCEXVYQOJ-SECBINFHSA-N 198.270 1.798 10 10 ADCE CO[C@H](C)CN1CCC[C@@H](N=[N+]=[N-])C1 1912163967 QBUFGLVZVUCSSR-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CCCNC(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912178453 MVEXHQCLNLYNRD-SSDOTTSWSA-N 197.242 1.491 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1cc(O)cc(O)c1 1951357610 KDSQEYFEMALMSD-QMMMGPOBSA-N 195.178 1.442 10 10 ADCE O=C(c1cc(O)c(O)c(O)c1)C1CC1 1951404348 BARLGCYCLVWODG-UHFFFAOYSA-N 194.186 1.396 10 10 ADCE [N-]=[N+]=NCCN1CCC[C@@H]2NCC[C@@H]21 1957243942 KASDCLXLEFRYIS-IUCAKERBSA-N 195.270 1.123 10 10 ADCE C[C@H]1CN(CCCCN=[N+]=[N-])C[C@@H]1N 1957246834 HIXQJPUVKJPOPJ-IUCAKERBSA-N 197.286 1.356 10 10 ADCE C/C=C\CCC(=O)C(C)=O 39069021 LYCOFTODHCHHEM-ARJAWSKDSA-N 140.182 1.501 10 10 ADCE C[C@H](O)C[C@@H](C)N=[N+]=[N-] 159705754 NIADQJKBLBSMST-UHNVWZDZSA-N 129.163 1.456 10 10 ADCE CC(C)C(=O)c1ccc(O)c(O)c1O 238204376 DUQWUMWYBGYJFS-UHFFFAOYSA-N 196.202 1.642 10 10 ADCE COc1cccc([C@@H](O)N=[N+]=[N-])c1 238390580 XCNSFPYJPDOELW-MRVPVSSYSA-N 179.179 1.996 10 10 ADCE [N-]=[N+]=NCC[C@H](O)/C=C/C=C/CCO 238694683 RJPNOIPVZWNPPW-CWEYFINHSA-N 197.238 1.543 10 10 ADCE Cc1cccc(N)c1N[C@H](C)[C@@H](C)O 307478750 FKTNWSRXERIRAD-RKDXNWHRSA-N 194.278 1.758 10 10 ADCE COCCCCN(C)CCN=[N+]=[N-] 397299581 LDXSVKLZQMVZIA-UHFFFAOYSA-N 186.259 1.655 10 10 ADCE CC(C)[C@H](CN=[N+]=[N-])ON 403595364 BGKWHQJYXRQHLJ-YFKPBYRVSA-N 144.178 1.212 10 10 ADCE C[C@@H]1CCN1CCN=[N+]=[N-] 575563373 YRLSPAVIHLRGPB-ZCFIWIBFSA-N 140.190 1.391 10 10 ADCE CC[C@@H]1C[C@@H](C)O[C@@H](CN=[N+]=[N-])N1 885456480 YDTUYYSSJZGHJW-PRJMDXOYSA-N 184.243 1.800 10 10 ADCE COC(=O)c1ccc(CCN=[N+]=[N-])o1 1535688582 FZWPRPJYZJTPGR-UHFFFAOYSA-N 195.178 1.919 10 10 ADCE C=C=CCNC(=O)c1cc(O)cs1 1637465384 PSFCDEHLSXNZHQ-UHFFFAOYSA-N 195.243 1.525 10 10 ADCE C[C@@H](F)CN1CC[C@@H](N=[N+]=[N-])C1 1880603149 SVYDAZWIDMHCLK-RNFRBKRXSA-N 172.207 1.729 10 10 ADCE Nc1ccc(O[C@H]2CC[C@@H]2N)cc1 1883786679 NXUZTDLJMZJYBW-UWVGGRQHSA-N 178.235 1.137 10 10 ADCE CNCc1sc(C)c(O)c1C 2208939746 JAZIYLWOOMEUSK-UHFFFAOYSA-N 171.265 1.790 10 10 ADCE N#CN[C@H]1CCC[C@@H]1N=[N+]=[N-] 2208941119 LUECXUKPCLSWMS-WDSKDSINSA-N 151.173 1.288 10 10 ADCE CO[C@@H]1OCCC[C@H]1N=[N+]=[N-] 34588798 DPHZEZDBPXIVPA-PHDIDXHHSA-N 157.173 1.448 10 10 ADCE COC[C@@H](C)N(C)c1ccc(N)cc1 42517337 QQMUTCILVSXPCU-SECBINFHSA-N 194.278 1.740 10 10 ADCE CCCNCc1ccc(O)c(O)c1O 83342674 CZDGZKUFGXSQNJ-UHFFFAOYSA-N 197.234 1.303 10 10 ADCE Cc1ccc2c(c1)C(=O)C(=O)C2 91368529 DROUWPVWTIIVGS-UHFFFAOYSA-N 160.172 1.303 10 10 ADCE COC(=O)c1ccc(O)c([C@H](C)N)c1 95770097 ZPECDRSFFWELLG-LURJTMIESA-N 195.218 1.199 10 10 ADCE CCC[C@H]1CCC(=O)C(=O)C1 134039572 WITWGSPGLOJZGS-ZETCQYMHSA-N 154.209 1.725 10 10 ADCE C[C@H]1C[C@H]1N=[N+]=[N-] 196447017 PKSJFBWRQJMPBX-IUYQGCFVSA-N 97.121 1.705 10 10 ADCE Cc1ccc(CO)c(O)c1CN(C)C 213870419 CXCZEKFSSJLBAC-UHFFFAOYSA-N 195.262 1.255 10 10 ADCE CC(=O)O[C@H]1COC=C[C@H]1N=[N+]=[N-] 238098238 HVNVNXIRGMGUDZ-RQJHMYQMSA-N 183.167 1.141 10 10 ADCE CC[C@H]1C[C@]1(N=[N+]=[N-])C(=O)O 238267577 DPUCYMSSNOVDKL-UJURSFKZSA-N 155.157 1.550 10 10 ADCE CN(C)CCSCc1c[nH]cn1 238312113 WUKLPKTVSAREML-UHFFFAOYSA-N 185.296 1.205 10 10 ADCE CC[C@H](N)c1ccc(N)c(F)c1O 238316570 NUBIVAMUQDQIJX-LURJTMIESA-N 184.214 1.523 10 10 ADCE [N-]=[N+]=NCC[C@@H]1C=CC(=O)O1 238657878 KUZOJHUIUVBYEC-YFKPBYRVSA-N 153.141 1.168 10 10 ADCE CN(C)c1ccc(CNO)cc1F 258140831 SJBPXXGQYAEEMC-UHFFFAOYSA-N 184.214 1.371 10 10 ADCE [N-]=[N+]=NCCN1CC2(CCCO2)C1 702907412 CLLGRQROSTXWBO-UHFFFAOYSA-N 182.227 1.162 10 10 ADCE CN=NNc1ccc(O)cc1 1860488583 CVDWQKAYVAEBAP-UHFFFAOYSA-N 151.169 1.801 10 10 ADCE C[C@H](CN)N(C)CCCCN=[N+]=[N-] 1888775020 QYUCSXVJBVIZPM-MRVPVSSYSA-N 185.275 1.356 10 10 ADCE C[C@H]1NCC[C@@H]1Nc1ccccc1N 1888915015 MELYDJVXPLOKLI-SCZZXKLOSA-N 191.278 1.431 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@H]1C[C@H](F)C1 1893603397 RKWQAUIRCAQESS-IZLXSQMJSA-N 186.190 1.161 10 10 ADCE C[C@H](O)[C@H](C)N1CCC[C@H](N=[N+]=[N-])C1 1912159814 MVMQFWCACHHSMJ-CIUDSAMLSA-N 198.270 1.530 10 10 ADCE CCCN(CCCN=[N+]=[N-])OC 1912168904 GPLRFTRKGPLIDJ-UHFFFAOYSA-N 172.232 1.960 10 10 ADCE C[C@@]12CCC[C@@H]1C(=O)N2CCN=[N+]=[N-] 1912199276 QJKKRWKJIYWELV-VXNVDRBHSA-N 194.238 1.698 10 10 ADCE CCCC[C@](C)(O)C(=O)C(C)=O 1929120349 SRPHVDCCCJIBNO-VIFPVBQESA-N 172.224 1.086 10 10 ADCE Nc1ccc(N[C@@H]2C[C@@H]2CO)cc1 1954309283 DHEYVHGTVGPRCN-GMSGAONNSA-N 178.235 1.062 10 10 ADCE COC(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2209152743 SQDOQKDOJGJWFD-NTSWFWBYSA-N 184.199 1.574 10 10 ADCE C[C@H]1CC[C@H]1C(=O)NCCCN=[N+]=[N-] 2209769905 WUUXXHRAEBLNNH-JGVFFNPUSA-N 196.254 1.849 10 10 ADCE [N-]=[N+]=NC1CN(CC[C@H]2CCO2)C1 2242533878 HGXZGLWODAXMID-QMMMGPOBSA-N 182.227 1.160 10 10 ADCE C[C@H]1CCC(=O)N(CCN=[N+]=[N-])CC1 70612372 HKRPJMHKMBLCMV-QMMMGPOBSA-N 196.254 1.945 10 10 ADCE COC[C@H]1CCN(CCN=[N+]=[N-])C1 81110865 KFHBUFLNJWLQBS-QMMMGPOBSA-N 184.243 1.265 10 10 ADCE C[C@H]1C[C@]1(N)c1ccc(N(C)C)cc1 84351028 ODDIVRWHBHCIBK-JOYOIKCWSA-N 190.290 1.946 10 10 ADCE NC[C@@H](c1ccc(O)c(O)c1)C1CC1 84353753 CQRHEPNAMYBPTQ-SECBINFHSA-N 193.246 1.550 10 10 ADCE CC(C)CNC(=O)CN=[N+]=[N-] 104701357 ZSNJDUDBHGBGTP-UHFFFAOYSA-N 156.189 1.069 10 10 ADCE C[C@@]1(N=[N+]=[N-])CCOC1=O 104832283 AUGQCQHACRECDX-RXMQYKEDSA-N 141.130 1.002 10 10 ADCE C[C@H](O)Cc1cccc(O)c1O 149622273 XHFTUEUYCQGDGX-LURJTMIESA-N 168.192 1.021 10 10 ADCE CN1CC[C@H](Cc2ccc(N)cc2)C1 213490083 SPDVIODBGJKCKY-LLVKDONJSA-N 190.290 1.763 10 10 ADCE C[C@@H](N)c1ccc2ocnc2c1O 214176656 DUVDRBQCLNSIBG-RXMQYKEDSA-N 178.191 1.553 10 10 ADCE COC[C@@H](N)c1ccc(S)cc1O 238379946 DPVAODFYUJVOOH-MRVPVSSYSA-N 199.275 1.327 10 10 ADCE N[C@@H]1CCc2ccc(Cl)c(O)c21 238640405 WIJDMPVCFMVFKS-SSDOTTSWSA-N 183.638 1.992 10 10 ADCE [N-]=[N+]=NC[C@H](Cc1ccccc1)NO 238712445 XILZTGSTCWJXRG-VIFPVBQESA-N 192.222 1.887 10 10 ADCE O=C1Nc2cccc(O)c2C2(CC2)N1 259548795 CJVVOKLVMAJMBX-UHFFFAOYSA-N 190.202 1.516 10 10 ADCE CC[C@@H]1OC(=O)[C@H](N=[N+]=[N-])[C@H]1OC 307387187 MGKGULWZBIHAJA-JKUQZMGJSA-N 185.183 1.016 10 10 ADCE [N-]=[N+]=NCCOC1CCC1 688986633 QQCDCKYNWYXIAD-UHFFFAOYSA-N 141.174 1.866 10 10 ADCE [N-]=[N+]=NCCNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 695802776 FLJXDNYLBRKALF-JIGDXULJSA-N 194.238 1.459 10 10 ADCE [N-]=[N+]=NC[C@H]1CNC(=N)N1C1CCC1 712376963 RWHXXUDRBHEZDG-SSDOTTSWSA-N 194.242 1.058 10 10 ADCE CC[C@H]1CO[C@H](CN=[N+]=[N-])N1 885255590 PLTLAOHHFJBJSN-NTSWFWBYSA-N 156.189 1.021 10 10 ADCE CC[C@@H]1CCO[C@H](CN=[N+]=[N-])N1 885319351 UMLNHMWEDIUVJW-RNFRBKRXSA-N 170.216 1.411 10 10 ADCE C/C=C\C(=O)N1CC[C@H](CN=[N+]=[N-])C1 885688214 QSSSDPUQSWFEIR-YAJNLLPGSA-N 194.238 1.721 10 10 ADCE [N-]=[N+]=N[C@@H](CO)c1ccoc1 1535877767 FJDQHDUBQFTJLK-LURJTMIESA-N 153.141 1.623 10 10 ADCE CO[C@@H]1CC[C@H](N(C)CCN=[N+]=[N-])C1 1887011854 RAXIBSRHOGKIIH-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE Nc1ccc(CNC[C@H]2CCO2)cc1 1887977007 FMHWEVXLSMRZAS-LLVKDONJSA-N 192.262 1.147 10 10 ADCE [N-]=[N+]=NC1CN(CCC2CC2)C1 1912145735 KRWGKIIKCZUBTA-UHFFFAOYSA-N 166.228 1.781 10 10 ADCE COC(C)(C)CN1CC[C@H](N=[N+]=[N-])C1 1912150845 YZVAPKIMLXLBGT-QMMMGPOBSA-N 198.270 1.796 10 10 ADCE CCN(CC)CCN1CC(N=[N+]=[N-])C1 1912197155 PLTOJBBRRXYOBH-UHFFFAOYSA-N 197.286 1.323 10 10 ADCE COc1cccc(C)c1C(=O)C(C)=O 1951492335 XEJBKCNLGIULMZ-UHFFFAOYSA-N 192.214 1.775 10 10 ADCE NC[C@@]1(F)C[C@H]1c1ccc(O)c(O)c1 1952672174 TZMVPRGSQHUQPO-XVKPBYJWSA-N 197.209 1.252 10 10 ADCE CNCC[C@H](C)N(C)CCCN=[N+]=[N-] 1957245092 VJOLXZHFTVZUOH-VIFPVBQESA-N 199.302 1.617 10 10 ADCE COc1cc(C)c2c(c1)[C@@H](N)CN2C 84769086 UGLHNPFOMXLXLW-JTQLQIEISA-N 192.262 1.453 10 10 ADCE CN(C)c1ccc2c(c1)OC[C@H]2N 104664757 SJUZAJHUJWBIJS-SECBINFHSA-N 178.235 1.145 10 10 ADCE CNCc1cc(F)cc(C)c1O 107331737 MZULBJKWEAWTPL-UHFFFAOYSA-N 169.199 1.559 10 10 ADCE Oc1ccc([C@H]2CO2)cc1O 148533301 YSXUDXDCAGDWQG-MRVPVSSYSA-N 152.149 1.169 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC[C@H]1[N+](=O)[O-] 208509842 ASDNZMMBOHWGEU-NTSWFWBYSA-N 170.172 1.885 10 10 ADCE COCc1ccc(O)c(C2(N)CC2)c1 238334968 OCLXJQYEWNCKQS-UHFFFAOYSA-N 193.246 1.486 10 10 ADCE C/C(CC(C)C)=C1\SC(N)=NC1=O 307545537 JUQRZBSIBGPZDM-VOTSOKGWSA-N 198.291 1.895 10 10 ADCE CCC[C@@H](NO)c1ccc(O)cc1O 308369888 AGKHNJWZPJRSBP-SECBINFHSA-N 197.234 1.918 10 10 ADCE CCCN1CC[C@@H](N)[C@H]1CN=[N+]=[N-] 711998315 FMLGQVYJWDCTDN-HTQZYQBOSA-N 183.259 1.108 10 10 ADCE [N-]=[N+]=N[C@@H](CO)[C@@]12CCC[C@H]1OCC2 1535749181 HUBHCMDZZDYGSU-YIZRAAEISA-N 197.238 1.617 10 10 ADCE CNC[C@@H](C)N(C)c1ccc(N)cc1 1888922530 GQABGYYFINHXNH-SECBINFHSA-N 193.294 1.313 10 10 ADCE C[C@@H]1CCN[C@H]1CN=[N+]=[N-] 1912174613 BOQDSVCEDZZSCC-RITPCOANSA-N 140.190 1.295 10 10 ADCE C[C@@H](O)C[C@@H](C)N(C)CCN=[N+]=[N-] 1934013346 NJPVCZQJSDTKMD-HTQZYQBOSA-N 186.259 1.388 10 10 ADCE [N-]=[N+]=NCCc1cc(O)nc(O)c1 1951472227 DKDSJRYTMYUSCW-UHFFFAOYSA-N 180.167 1.346 10 10 ADCE Cn1cc(CN=[N+]=[N-])c(Cl)n1 1953220667 CLBCYWYXQZQWGH-UHFFFAOYSA-N 171.591 1.884 10 10 ADCE CC1=C(c2nc(C)cn2C)CNCC1 1954996457 HGRJUCATBQEGIL-UHFFFAOYSA-N 191.278 1.495 10 10 ADCE C[C@H]1[C@H](N)CCCN1CCCN=[N+]=[N-] 1957250080 NQGSWFAFHFZFDY-DTWKUNHWSA-N 197.286 1.498 10 10 ADCE Cc1ccc(O)c([C@H](NN)C2CC2)c1 2080473738 NBZBDKALRBJFLJ-LLVKDONJSA-N 192.262 1.615 10 10 ADCE C[C@@H]1CC(=O)c2cc(O)c(O)cc2C1 31164321 PWJFIPLEFGCYCM-LURJTMIESA-N 192.214 1.863 10 10 ADCE biogenic N#CCCN1CCC[C@@H]1CN=[N+]=[N-] 35784250 HYTHMJLFERXYBC-MRVPVSSYSA-N 179.227 1.675 10 10 ADCE CN(CCN)c1ccc2c(c1)CCO2 83256789 MNJKFQGNPUPZEF-UHFFFAOYSA-N 192.262 1.016 10 10 ADCE CC(C)[C@@H](N)c1ccc(O)c(O)c1O 95659951 HERVDESQTMVCEG-MRVPVSSYSA-N 197.234 1.459 10 10 ADCE Nc1ccc(-n2cc(N)cn2)cc1 144189673 SFWJVXAKXLYPIU-UHFFFAOYSA-N 174.207 1.037 10 10 ADCE CC[C@H]1C/C(=C/O)C(=O)O1 205077768 SVVLJJMQINRCJG-XSIKTDMUSA-N 142.154 1.154 10 10 ADCE COc1cccc2c1CC(=O)C2=O 230859392 RMGVUAYEFAGCMV-UHFFFAOYSA-N 176.171 1.003 10 10 ADCE C[C@@H]1C[C@@H](N=[N+]=[N-])C[C@@H]1N 238429004 PRIHAPLJAISSNB-PBXRRBTRSA-N 140.190 1.423 10 10 ADCE O=Nc1cc(O)c(O)cc1O 238706165 CYXSCWYFUMEVPZ-UHFFFAOYSA-N 155.109 1.201 10 10 ADCE COc1cc(C(C)(C)N)c(O)cc1F 257995115 BRFBEJWREMVXNY-UHFFFAOYSA-N 199.225 1.734 10 10 ADCE C[C@@H]1CCN(CCCN=[N+]=[N-])C[C@H]1O 299918707 VGPULNKRZQKISF-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE N/N=N/C/C=C/Br 306472495 DROLUZNVSIXBAW-OWOJBTEDSA-N 164.006 1.221 10 10 ADCE C/C(=C/Cl)N=NC(N)=O 387823624 JSICGWKPOMORBG-RHGRMJLBSA-N 147.565 1.617 10 10 ADCE CC1=C=C=C([C@@H](O)CNN=N)S1 642853907 XNZOCTPYUJHWFR-LURJTMIESA-N 183.236 1.171 10 10 ADCE COc1cc([C@@H](C)O)cc(O)c1O 1535815367 PTBKGFAKVOWDAY-RXMQYKEDSA-N 184.191 1.160 10 10 ADCE CN(CCN=[N+]=[N-])C(=O)[C@H]1C[C@H]1F 1881885271 UGQVSIKQPYDBPB-NTSWFWBYSA-N 186.190 1.113 10 10 ADCE CN(CCCCN=[N+]=[N-])CC1(O)CC1 1889010737 OSHATSAIDWJPTG-UHFFFAOYSA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=NCCN1CC[C@@H]2CC[C@@H]21 1912163392 JBQNZHKIBHXSQG-YUMQZZPRSA-N 166.228 1.781 10 10 ADCE [N-]=[N+]=NCCCN=S1(=O)CCC1 1912169228 IIJOYSUGGMMAFO-UHFFFAOYSA-N 188.256 1.559 10 10 ADCE C[C@@H](O)[C@@H](C)N1CCC(N=[N+]=[N-])CC1 1912193154 MJOVEPDYFOUHAM-HTQZYQBOSA-N 198.270 1.530 10 10 ADCE CC[C@H](O)Cc1ccc(O)c(O)c1 59957667 URBKCQNQHDHYPA-QMMMGPOBSA-N 182.219 1.411 10 10 ADCE Cc1cc(Cc2ccc(N)cc2)ncn1 82531264 QYXIASYEHOFLKV-UHFFFAOYSA-N 199.257 1.958 10 10 ADCE CNCc1c(C)cc(C)cc1O 96862338 FBUUSHQELSZEOS-UHFFFAOYSA-N 165.236 1.728 10 10 ADCE C[C@@H](N)c1cc(C(=O)O)ccc1O 104518740 JKJXFVVZJLLMFL-RXMQYKEDSA-N 181.191 1.110 10 10 ADCE CC(=O)O[C@H]1CCC=C[C@H]1N=[N+]=[N-] 238092313 SNCJQXRTIVHFRW-SFYZADRCSA-N 181.195 1.947 10 10 ADCE CCOC(=O)[C@@H](CCN=[N+]=[N-])C(C)=O 238305866 HNDRCERHYXLSHA-ZETCQYMHSA-N 199.210 1.455 10 10 ADCE COC(=O)[C@@H](N=[N+]=[N-])C1CC1 238373523 XYBIHUHCXHPLJF-YFKPBYRVSA-N 155.157 1.248 10 10 ADCE [N-]=[N+]=N[C@H]1Cc2ccccc2C[C@@H]1N 238575860 MISPEXIDLLHOFM-UWVGGRQHSA-N 188.234 1.791 10 10 ADCE CC(C)(O)c1cccc(O)c1O 258074632 UWIRUBNNNRGFPR-UHFFFAOYSA-N 168.192 1.325 10 10 ADCE C[C@H]1C[C@@H](C)/C(=C/O)C(=O)O1 694775478 UCHNQCZZNJNGLD-CSPWTJDYSA-N 156.181 1.400 10 10 ADCE [N-]=[N+]=NC[C@H]1OCC[C@@H]1F 1880028775 WSOGWDHZAXLDNJ-CRCLSJGQSA-N 145.137 1.424 10 10 ADCE OCc1ccc(N2CC[C@H]2CF)cc1 1886118292 NZGBHWFVMLGWCD-NSHDSACASA-N 195.237 1.727 10 10 ADCE CN[C@H](C)CCNc1ccc(N)cc1 1888891669 HHRGOEZKWUELEX-SECBINFHSA-N 193.294 1.679 10 10 ADCE CCNCc1cnc(SC)s1 1934276910 OFSVWOHRMOOMFY-UHFFFAOYSA-N 188.321 1.975 10 10 ADCE CC[C@@H]1C[C@@]1(N)c1ccc(O)c(O)c1 1951737480 VLAIDLSROUHZIC-HQJQHLMTSA-N 193.246 1.682 10 10 ADCE N[C@H]1C[C@@H](Cc2ccc(O)c(O)c2)C1 1952822579 ALROUUVLPRMLOR-DTORHVGOSA-N 193.246 1.378 10 10 ADCE CN(CCCN=[N+]=[N-])[C@@H](CN)C1CC1 1957250357 PSDDDCDBGYLWII-VIFPVBQESA-N 197.286 1.356 10 10 ADCE CN(CCCCN=[N+]=[N-])[C@H]1C[C@@H](O)C1 2209401928 FNKXGIVFYAIUBM-DTORHVGOSA-N 198.270 1.532 10 10 ADCE CC[C@@H](C)NCc1cccc(O)c1O 41049376 FYSUHNUKHOHJLA-MRVPVSSYSA-N 195.262 1.986 10 10 ADCE NC[C@@H](N)c1c(O)cccc1Cl 72200281 LQCHPHLZSYPKMO-ZCFIWIBFSA-N 186.642 1.004 10 10 ADCE CCN1CCNc2cc(OC)ccc21 76926836 BZTULXRAXFGMDQ-UHFFFAOYSA-N 192.262 1.947 10 10 ADCE C[C@](NCCN=[N+]=[N-])(C(=O)O)C1CC1 85223699 MWCQHIRDGNYYLU-MRVPVSSYSA-N 198.226 1.140 10 10 ADCE [N-]=[N+]=NC[C@H]1NCCCS1 87603785 LYTFRDLNLAZAGZ-YFKPBYRVSA-N 158.230 1.349 10 10 ADCE NC[C@@H](O)c1sc(C2CC2)cc1O 108311072 ZHMCWYTYOFCVLQ-SSDOTTSWSA-N 199.275 1.323 10 10 ADCE CN1C[C@H](N)C[C@@H]1c1ccccc1O 108340872 LYBKFKLVTLDLTM-PSASIEDQSA-N 192.262 1.096 10 10 ADCE C[C@H]1NCCc2c(N)ccc(O)c21 212773505 LMHKAYUBYQTAPX-ZCFIWIBFSA-N 178.235 1.181 10 10 ADCE COc1ccc(O)c([C@H](C)N)c1F 214405807 DWSUPNAPJVULSZ-YFKPBYRVSA-N 185.198 1.560 10 10 ADCE N[C@@H](CCO)c1cccc(S)c1O 238562598 CVHCQLOSSAFXLR-ZETCQYMHSA-N 199.275 1.063 10 10 ADCE Oc1cc2occ(O)c2cc1O 238725451 KJGCNMJXNZMIRF-UHFFFAOYSA-N 166.132 1.550 10 10 ADCE NC1(c2ccc(O)c(F)c2O)CCC1 258136209 RZHVEAMMJNVHNE-UHFFFAOYSA-N 197.209 1.575 10 10 ADCE Nc1ccc2sc(O)c(O)c2c1 306566915 GKRWCCFWNQSOJV-UHFFFAOYSA-N 181.216 1.895 10 10 ADCE [N-]=[N+]=N[C@H]1C[C@H]2C[C@H]1C[C@H]2O 306785070 IXPWTCFEDBKIPY-BNHYGAARSA-N 153.185 1.456 10 10 ADCE CCC/C(=C/O)C(=O)OCC 307914437 NTISGOWDWXRNDS-SREVYHEPSA-N 158.197 1.792 10 10 ADCE CC(C)ONCc1cc(F)ccc1O 379070814 ZTJXFRFTFADMPD-UHFFFAOYSA-N 199.225 1.961 10 10 ADCE CCC[C@]1(CN=[N+]=[N-])CCNC1=O 521400212 GMWLGKDTLUCYRD-MRVPVSSYSA-N 182.227 1.603 10 10 ADCE C[C@@H]1C[C@@H]1[C@@H](CO)N=[N+]=[N-] 1535691883 XPHPLNYLPSUPMN-NGJCXOISSA-N 141.174 1.314 10 10 ADCE C[C@@H](CON)c1ccc(O)c(O)c1 1535859971 FZHHCPBRLYMUGS-LURJTMIESA-N 183.207 1.092 10 10 ADCE [N-]=[N+]=NCCCSCCN 1880080530 JTINMFPSIMVWIP-UHFFFAOYSA-N 160.246 1.379 10 10 ADCE CO[C@@H](C)CN1CCC[C@@H]1CN=[N+]=[N-] 1885286192 IRXTZAMZSYIINM-DTWKUNHWSA-N 198.270 1.796 10 10 ADCE CCC[C@H](O)COc1ccc(N)cc1 1933636006 WUYDASVIEICCEK-JTQLQIEISA-N 195.262 1.809 10 10 ADCE C[C@@H]1C[C@@H](CO)CN1CCCN=[N+]=[N-] 1934981614 RSVDJMICVDMLTK-RKDXNWHRSA-N 198.270 1.390 10 10 ADCE C[C@H]1CN(CCCN=[N+]=[N-])[C@H](C)CN1 1957248557 CUTCLBFTOSDJQH-DTWKUNHWSA-N 197.286 1.369 10 10 ADCE ONCc1ccc(F)cc1O 82845786 PKNJWADAXYIUBH-UHFFFAOYSA-N 157.144 1.010 10 10 ADCE [N-]=[N+]=N[C@H]1Cc2ccccc2C[C@H]1O 196356947 OUHZFBNDUIDHPG-VHSXEESVSA-N 189.218 1.825 10 10 ADCE CC[C@@H](C)[C@H](CO)N=[N+]=[N-] 200196800 PRAYPZJGCOTWFG-RITPCOANSA-N 143.190 1.704 10 10 ADCE COc1cc(C)c(O)c(CN)c1 212279898 RVQXVTGXFLRLQT-UHFFFAOYSA-N 167.208 1.168 10 10 ADCE COc1cc(O)c2c(c1)CCC[C@@H]2N 238372552 BBONTLFPDVKCAJ-VIFPVBQESA-N 193.246 1.737 10 10 ADCE C[C@@H]1CC(=O)O[C@@H]1CN=[N+]=[N-] 238413227 LCHSQECRWBTACI-RFZPGFLSSA-N 155.157 1.248 10 10 ADCE C[C@@H](N=[N+]=[N-])c1cn(C)nn1 714963725 PZKJCSFOXSOZMJ-SCSAIBSYSA-N 152.161 1.186 10 10 ADCE NCc1cnc(SC2CC2)s1 1880200526 NYRCLCXVCMWDGX-UHFFFAOYSA-N 186.305 1.856 10 10 ADCE C[C@H]1CCOC[C@@H]1N(C)CCN=[N+]=[N-] 1912173119 JNUGSNHOGHJGTG-IUCAKERBSA-N 198.270 1.654 10 10 ADCE [N-]=[N+]=NC[C@H]1N[C@@H](C2CC2)CO1 1912179259 SFVXFGODCZOPHD-RQJHMYQMSA-N 168.200 1.021 10 10 ADCE CCONCc1ccc(N)cc1 1929710893 MPAQWPNJYAQVDU-UHFFFAOYSA-N 166.224 1.310 10 10 ADCE CC(=CCCN)c1ncc(Cl)n1C 1953808334 XTIHCXIRRYLOKV-UHFFFAOYSA-N 199.685 1.826 10 10 ADCE CCc1ccc(O)c(O)c1C(C)=O 2060113978 YRFSENOCKBUILB-UHFFFAOYSA-N 180.203 1.863 10 10 ADCE CC[C@H]1[C@H](O)CCN1CCCN=[N+]=[N-] 2242155074 VSJXNMXZNLGPJI-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE COC(=O)N[C@H](C)CCN=[N+]=[N-] 39138948 VHKLFASSHRZIPS-RXMQYKEDSA-N 172.188 1.431 10 10 ADCE Oc1ccc2[nH]cc3c2c1CNCC3 84306324 YPFSAFCBPIQRJU-UHFFFAOYSA-N 188.230 1.519 10 10 ADCE [N-]=[N+]=NCCN[C@H](C(=O)O)C1CCC1 87585506 ZRCKFISORWAVQH-ZETCQYMHSA-N 198.226 1.140 10 10 ADCE CNCc1ccc2c(c1)[C@@H](C)CN2C 107784502 VYZRZHYKGXLVMS-VIFPVBQESA-N 190.290 1.959 10 10 ADCE [N-]=[N+]=N[C@H]1Cc2ccccc2[C@@H]1O 138542311 GXARJZSMOVQDPH-IUCAKERBSA-N 175.191 1.955 10 10 ADCE Oc1ccc(C2=NNCC2)c(F)c1 140354589 PCUWINJHYYXTRO-UHFFFAOYSA-N 180.182 1.229 10 10 ADCE Oc1ccccc1[C@@H]1NCCO1 144099454 HRWGCBPKQAHMGZ-SECBINFHSA-N 165.192 1.011 10 10 ADCE COc1c(C)ccc([C@H](C)N)c1O 212930108 WFJXFKJWHGPKGD-ZETCQYMHSA-N 181.235 1.729 10 10 ADCE CCc1ccc(O)c([C@H](N)CF)c1 238283586 CHBJVHCSGCBRKU-SECBINFHSA-N 183.226 1.924 10 10 ADCE O=C1OC[C@H]2CCCC[C@H]2/C1=C/O 238607349 CWLAIBWYXYYFSD-HJWAFEIUSA-N 182.219 1.792 10 10 ADCE [N-]=[N+]=N/C=C1/C(=O)O[C@@H]2CCC[C@@H]12 379249389 VKKGMXMKXGONJM-LGKUNXSESA-N 179.179 1.906 10 10 ADCE CN(CCCN=[N+]=[N-])[C@H]1C[C@H](O)C1 1882178188 ULTQJFGWMOIXQW-ZKCHVHJHSA-N 184.243 1.142 10 10 ADCE CC[C@H]1C[C@@H]1C(=O)N(C)CCN=[N+]=[N-] 1897761447 SYDUIQYASUQXAJ-YUMQZZPRSA-N 196.254 1.801 10 10 ADCE COCc1noc(CN=[N+]=[N-])n1 1953669511 RGQWLOBMALAMBR-UHFFFAOYSA-N 169.144 1.026 10 10 ADCE [N-]=[N+]=NCCN1CC(F)(C2CC2)C1 1954063171 SUANWORMKFSZRM-UHFFFAOYSA-N 184.218 1.731 10 10 ADCE CC(=O)C(=O)[C@]1(O)CCC[C@H]2CC[C@@H]21 1956946767 DERWYKTXOYMNMU-QXEWZRGKSA-N 196.246 1.086 10 10 ADCE CNCc1c(C)ccc(C)c1O 82855984 AUPACUZJLBFZSF-UHFFFAOYSA-N 165.236 1.728 10 10 ADCE C[C@@H]1O[C@@H](O)CC[C@H]1N=[N+]=[N-] 147692708 KUDVKPBKLAGPJH-KVQBGUIXSA-N 157.173 1.183 10 10 ADCE [N-]=[N+]=N[C@H]1Cc2ccccc2[C@H]1N 208508765 BRBQDUISROFHCS-DTWKUNHWSA-N 174.207 1.921 10 10 ADCE COc1cc(O)c([C@H](C)N)cc1C 212028424 BWPQVCVERRGPOT-ZETCQYMHSA-N 181.235 1.729 10 10 ADCE [N-]=[N+]=N[C@H]1CCCC2(C1)OCCO2 220181631 GCEFJFDDWAODMX-ZETCQYMHSA-N 183.211 1.982 10 10 ADCE COC(=O)C/C=C\N=[N+]=[N-] 225675373 BGNBRLKEPLUKKI-RQOWECAXSA-N 141.130 1.374 10 10 ADCE CCOC(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 238281410 XRVIQCFEXLUCPZ-RNFRBKRXSA-N 198.226 1.964 10 10 ADCE CC[C@H](N)c1cc(N)c(C)cc1O 238313349 TVJSSIOTLZFKDJ-QMMMGPOBSA-N 180.251 1.693 10 10 ADCE N[C@H](c1cccc(F)c1O)C(F)F 238654053 QHSNDPKLFMCFBI-ZCFIWIBFSA-N 191.152 1.796 10 10 ADCE Oc1cccc([C@H]2CCNC2)c1O 238684018 QYYYKINMJQAWKH-ZETCQYMHSA-N 179.219 1.175 10 10 ADCE CN(CCN=[N+]=[N-])[C@H]1CCC[C@H]1O 708217800 XBXRUMDYGXTELM-JGVFFNPUSA-N 184.243 1.142 10 10 ADCE [N-]=[N+]=NCCCN1C[C@@H]2C[C@H]1CO2 718260916 XAHJXEPHVRQFSM-YUMQZZPRSA-N 182.227 1.160 10 10 ADCE Nc1ncc(-c2cccc(O)c2O)o1 1535731399 TXPLUTHOGMLXIB-UHFFFAOYSA-N 192.174 1.335 10 10 ADCE NN[C@H](c1ccccc1O)[C@H]1C[C@@H]1F 1884715556 PWHKAKZRODFWFS-OYNCUSHFSA-N 196.225 1.255 10 10 ADCE CN(c1ccc(N)cc1)[C@H]1CC[C@H]1N 1888923478 RTNRVXSATJJZRQ-MNOVXSKESA-N 191.278 1.195 10 10 ADCE [N-]=[N+]=N[C@H]1COCCC(F)(F)[C@H]1O 1912156579 MXJVANWYNQLXGK-WHFBIAKZSA-N 193.153 1.082 10 10 ADCE CC(C)(F)CN1CC(N=[N+]=[N-])C1 1912166068 RUGANEZXOAECLB-UHFFFAOYSA-N 172.207 1.729 10 10 ADCE [N-]=[N+]=NC1CN(CCOC2CC2)C1 1912201232 RJYIFYMNAVTDTR-UHFFFAOYSA-N 182.227 1.160 10 10 ADCE CC1(C)C[C@@]1(N)c1c(O)cccc1O 1952305234 WMZNHSBIVYDIIO-LLVKDONJSA-N 193.246 1.682 10 10 ADCE CN(CCN=[N+]=[N-])CCn1cccc1 1956871585 UWQJPFLEUNSVCP-UHFFFAOYSA-N 193.254 1.730 10 10 ADCE COc1c(O)c(O)cc(C)c1C=O 31165607 PAXJGFKMJPGJCC-UHFFFAOYSA-N 182.175 1.227 10 10 ADCE biogenic Oc1ccccc1CNc1cn[nH]c1 35763987 APDOISKMLBZTOG-UHFFFAOYSA-N 189.218 1.727 10 10 ADCE CC(C)[S@@](=O)CCCN=[N+]=[N-] 42416707 ZYSWCYOUXQDMDX-LLVKDONJSA-N 175.257 1.844 10 10 ADCE COc1cccc(O)c1[C@@H]1CCCN1 72201653 MSXRQGPMTQJMGN-QMMMGPOBSA-N 193.246 1.825 10 10 ADCE CO[C@H]1COCC[C@@H]1N=[N+]=[N-] 238360856 VNGTVYIGXVMRIB-WDSKDSINSA-N 157.173 1.101 10 10 ADCE COc1c(O)cc(O)c2c1CC[C@H]2N 238434832 XPBORBFQTXLPHF-ZCFIWIBFSA-N 195.218 1.052 10 10 ADCE CNC[C@](C)(F)c1ccc(O)c(O)c1 257834782 LMFFKIJWBPIXES-JTQLQIEISA-N 199.225 1.502 10 10 ADCE OCc1c(Cl)ccc(O)c1O 257969800 IBYMBSBTNUDFGL-UHFFFAOYSA-N 174.583 1.244 10 10 ADCE C[C@H]1CN(C)c2ccc(CN)cc2N1 259374926 VSCKIBQVLWQLKG-QMMMGPOBSA-N 191.278 1.396 10 10 ADCE [N-]=[N+]=N[C@@]1(CF)CC[C@@H]2OC[C@H]1O2 306905258 WUDUYITVWLXJPL-FSDSQADBSA-N 187.174 1.540 10 10 ADCE C[C@H](Nc1ccc(N)cc1)C(C)(C)O 307339528 TYSVUBPZBHHOCR-QMMMGPOBSA-N 194.278 1.840 10 10 ADCE OCc1ccc2c(O)csc2c1O 307437933 SKQFEIBRIKSNOV-UHFFFAOYSA-N 196.227 1.805 10 10 ADCE CC[C@@H]1C[C@@H]1C(=O)NCCN=[N+]=[N-] 387543176 GVOUQVVOMOCWSN-RQJHMYQMSA-N 182.227 1.459 10 10 ADCE [N-]=[N+]=NCC[C@H]1CCS(=O)(=O)C1 694037555 DLDKAOXKWXDPOL-LURJTMIESA-N 189.240 1.122 10 10 ADCE CO[C@@]1(C)C[C@@H]1Nc1ccc(N)cc1 694358997 FORLDDVUDZNBFS-QWRGUYRKSA-N 192.262 1.858 10 10 ADCE [N-]=[N+]=NCCS[C@@H]1CCOC1 703117309 UNBXNCWCXKASRW-ZCFIWIBFSA-N 173.241 1.819 10 10 ADCE CC[C@H]1N[C@H](CN=[N+]=[N-])OC1(C)C 885456334 CSODYLHMAPEEJZ-RQJHMYQMSA-N 184.243 1.800 10 10 ADCE CCOC(=O)N1CC(N=[N+]=[N-])C1 1912169707 NVVOCJLUIHTKJW-UHFFFAOYSA-N 170.172 1.137 10 10 ADCE CN(C)CCN(C)CCCCN=[N+]=[N-] 1912178862 PVYWOYSBHLKEHM-UHFFFAOYSA-N 199.302 1.570 10 10 ADCE Cn1ccnc1C=C1C[C@H]2NCC[C@@H]12 1933970209 WVRGVXHCNASABQ-VHSXEESVSA-N 189.262 1.185 10 10 ADCE Cc1ccc([C@@H]2C[C@@H](O)CN2)c(O)c1 1952064141 ISBKQRVRJLOWRZ-SCZZXKLOSA-N 193.246 1.096 10 10 ADCE Cc1cccc([C@@H]2C[C@@H](O)CN2)c1O 1952071155 OZWILVPOYWWFMC-SCZZXKLOSA-N 193.246 1.096 10 10 ADCE OC[C@@]1(F)C[C@H]1c1ccc(O)c(O)c1 1952388839 FXRQWFWZMFVFKU-XVKPBYJWSA-N 198.193 1.286 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1CCCN1 1957249429 KSQSGYPJUZBWPR-VIFPVBQESA-N 197.286 1.371 10 10 ADCE C[C@@H]1C[C@@H](N)CCN1CCCN=[N+]=[N-] 1957251074 XCKKFVNEDXWFAL-BDAKNGLRSA-N 197.286 1.498 10 10 ADCE CC[C@H](N)Cc1cc(O)c(O)c(O)c1 33861526 PIHTUWXBWJFZBZ-ZETCQYMHSA-N 197.234 1.083 10 10 ADCE CCC/C=C/[C@@H](O)[C@H](CO)N=[N+]=[N-] 34404889 OZGOTMGSRJLYEO-ODAVYXMRSA-N 185.227 1.375 10 10 ADCE COC(=O)CCSCCN=[N+]=[N-] 42416440 UBJASOYDVUIJOI-UHFFFAOYSA-N 189.240 1.593 10 10 ADCE C[C@@H](CO)CNCc1ccccc1O 82367482 KBRNQZOPKLPLCQ-SECBINFHSA-N 195.262 1.110 10 10 ADCE C[C@@H]1C[C@]1(N)c1ccccc1O 84330058 MJIAHNWMXPAKOM-GMSGAONNSA-N 163.220 1.586 10 10 ADCE C[C@@H]1CCCC[C@@H](N=[N+]=[N-])C(=O)N1 139590325 AYSPLCIFBLSIHV-RNFRBKRXSA-N 182.227 1.744 10 10 ADCE Nc1ccc(-n2cnc(Cl)n2)cc1 141891453 NKJVNYLSMLSKMA-UHFFFAOYSA-N 194.625 1.503 10 10 ADCE COc1ccc2c(c1O)C(=O)CC2=O 238393828 YIDPXTLOZRQQOF-UHFFFAOYSA-N 192.170 1.170 10 10 ADCE C[C@]1(c2ccccc2O)COC(=O)N1 257844491 NHKQJHBNCRMQQK-SNVBAGLBSA-N 193.202 1.347 10 10 ADCE COc1cc(F)cc(CNO)c1O 258179028 WKECDGLUIPOYLZ-UHFFFAOYSA-N 187.170 1.019 10 10 ADCE [N-]=[N+]=NC[C@H]1[C@H]2CO[C@@H]3C[C@H]1O[C@H]23 306369060 BHJZBOIKRUZJSL-SLBCVNJHSA-N 181.195 1.099 10 10 ADCE C[C@@H]1C[C@@H]1C(=O)C(=O)[C@H]1C[C@H]1C 307720792 PKVQSCUXHLTLPA-NGJRWZKOSA-N 166.220 1.437 10 10 ADCE COc1cccc([C@@H](CO)N=[N+]=[N-])n1 1535838169 ASINUBDXFVUPQA-SSDOTTSWSA-N 194.194 1.434 10 10 ADCE C[C@H](N[S@@](C)=O)c1ccccc1O 1883208251 JWGIPOCJSOMOBF-WPPNPWJKSA-N 199.275 1.336 10 10 ADCE CC1(C)[C@H](O)CN1c1ccc(N)cc1 1900685768 GKRXWHAONOSPEK-SNVBAGLBSA-N 192.262 1.228 10 10 ADCE [N-]=[N+]=N[C@@H]1COCCC(F)(F)[C@@H]1O 1912156577 MXJVANWYNQLXGK-RFZPGFLSSA-N 193.153 1.082 10 10 ADCE [N-]=[N+]=N[C@H]1CCN(Cc2ccno2)C1 1912157784 ZFEJTAHYYZHPGN-ZETCQYMHSA-N 193.210 1.559 10 10 ADCE CC[C@H](CN1CC[C@@H](N=[N+]=[N-])C1)OC 1912164363 WHGQFUZVGYZNHJ-RKDXNWHRSA-N 198.270 1.796 10 10 ADCE CC(=O)C(=O)[C@@H](O)c1ccc(C)s1 1929124623 OSMSMAXAOWSCEH-VIFPVBQESA-N 198.243 1.248 10 10 ADCE Cc1cccc([C@H]2C[C@@H](O)CN2)c1O 1952071154 OZWILVPOYWWFMC-PSASIEDQSA-N 193.246 1.096 10 10 ADCE [N-]=[N+]=NCCC1COC1 1953143762 NBZFJUOHGGELFW-UHFFFAOYSA-N 127.147 1.333 10 10 ADCE CCO[C@@]1(C)CCC(=O)C(=O)C1 1953528808 LWFQQBIITXLWJN-VIFPVBQESA-N 170.208 1.104 10 10 ADCE [N-]=[N+]=NCCN1C[C@@H]2C[C@H]1[C@@H]1C[C@@H]21 1954431708 BEZAVBXSEDIEQV-MAUMQABQSA-N 178.239 1.637 10 10 ADCE C[C@](O)(CN=[N+]=[N-])C1=CCOCC1 2049375806 YMFDDGVXERDAIO-QMMMGPOBSA-N 183.211 1.394 10 10 ADCE CN1CC[C@H](Nc2ccccc2N)C1 42545140 CIVXAZAOVVPWJH-VIFPVBQESA-N 191.278 1.385 10 10 ADCE CC(C)c1ccc(O)c([C@@H](N)CO)c1 72197756 PSZVEXLUHGHQAA-JTQLQIEISA-N 195.262 1.508 10 10 ADCE CN(CCN=[N+]=[N-])C[C@@H]1CCCOC1 82545183 KLJCJWSJDJDGAX-VIFPVBQESA-N 198.270 1.655 10 10 ADCE C[C@@H]1CNCCN1c1ccc(N)cc1 84453126 IQFXDIADSORSPF-SECBINFHSA-N 191.278 1.067 10 10 ADCE CCc1cccc([C@H]2CCN2)c1O 95784608 MGDSWTNAVPZIEN-SNVBAGLBSA-N 177.247 1.989 10 10 ADCE Oc1c([C@@H]2CCN2)ccc2c1OCO2 95785259 CXRIJHHAKGBYIL-ZETCQYMHSA-N 193.202 1.155 10 10 ADCE [N-]=[N+]=NCCCN=[N+]=[N-] 137864478 WXZXTRCKSOLGKX-UHFFFAOYSA-N 126.123 1.997 10 10 ADCE Cc1c(F)ccc(O)c1O 211759437 HOUQJSFJFTZXQG-UHFFFAOYSA-N 142.129 1.545 10 10 ADCE Oc1c[nH]c(-c2ccc(O)c(O)c2)n1 236575983 CMBGMZMGSGWLEM-UHFFFAOYSA-N 192.174 1.194 10 10 ADCE CSc1ccc(O)c2c1OC[C@@H]2N 238418292 KJUYNAIWGWPESF-YFKPBYRVSA-N 197.259 1.506 10 10 ADCE CNC1(c2ccccc2O)CC(F)C1 257837366 LAXHYHYWIHFBNL-UHFFFAOYSA-N 195.237 1.939 10 10 ADCE NC1(c2cc(O)c(O)c(F)c2)CC1 257974886 DDQDAYNXFHSOGV-UHFFFAOYSA-N 183.182 1.185 10 10 ADCE Cc1c(Cl)cc(O)c(O)c1CO 258006172 GXTMCNGMVPVWAA-UHFFFAOYSA-N 188.610 1.552 10 10 ADCE C/C=C(/N=[N+]=[N-])N1CCOCC1 306932891 FFRYBXBEQSZDOD-UQCOIBPSSA-N 168.200 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[N-]=[N+]=NCCCN1CC[C@H]2C[C@H]21 707091126 XHYPZJGNSJRCHA-JGVFFNPUSA-N 166.228 1.781 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccc(F)nc1 1535806723 SHPPGCRQHLGFAS-ZCFIWIBFSA-N 182.158 1.564 10 10 ADCE C[C@@]1([C@@H](O)CN=[N+]=[N-])CC1(F)F 1881562030 FQGBAGBKKICNHP-WHFBIAKZSA-N 177.154 1.703 10 10 ADCE CC[C@@H](CN)NCc1ccccc1O 1884691881 WOTPBSGKQAYVTM-JTQLQIEISA-N 194.278 1.219 10 10 ADCE [N-]=[N+]=NC1CN(C(=O)[C@@H]2C[C@H]2CF)C1 1888736203 SFFBDJKVINAPBO-CAHLUQPWSA-N 198.201 1.113 10 10 ADCE Cc1ccc(O)c([C@H](N)C(C)(C)O)c1 1951472695 SOQKXPXVXMVGEZ-JTQLQIEISA-N 195.262 1.471 10 10 ADCE CC1(O)CC(Nc2ccc(N)cc2)C1 1955294898 DLQDYCJSXAQVGA-UHFFFAOYSA-N 192.262 1.594 10 10 ADCE C[C@H]1CNC[C@@H](C)N1CCCN=[N+]=[N-] 1957243686 GRMGMPXUNCAYSD-DTORHVGOSA-N 197.286 1.369 10 10 ADCE O=C1CC[C@H](C2CC2)CC1=O 2208941813 XCYUFHNVASEYOB-ZETCQYMHSA-N 152.193 1.335 10 10 ADCE CC(C)S(=O)(=O)CCN=[N+]=[N-] 42416554 BHTTVFANANHXKV-UHFFFAOYSA-N 177.229 1.120 10 10 ADCE C[S@@](=O)CCCN=[N+]=[N-] 42416711 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CCN(CC)C1=CCC(=[N+]=[N-])C=C1 118270538 YZYFPMLAGIGAJJ-UHFFFAOYSA-N 177.251 1.843 10 10 ADCE CC[C@@H](NO)c1ccccc1O 132142659 UGMKSLSVDUJADS-MRVPVSSYSA-N 167.208 1.822 10 10 ADCE Nc1ccccc1[C@H](C=S)C(=O)O 142003103 NSJCQMQIAHPXBL-ZETCQYMHSA-N 195.243 1.437 10 10 ADCE CC(C)(C)[C@H](N=[N+]=[N-])[C@H](O)CO 238177338 MZRWLBOMBLXCME-PHDIDXHHSA-N 173.216 1.065 10 10 ADCE CC[C@@H]1C[C@]1(N=[N+]=[N-])C(=O)O 238284166 DPUCYMSSNOVDKL-INEUFUBQSA-N 155.157 1.550 10 10 ADCE CO[C@H](CN=[N+]=[N-])OCC(C)C 238402556 SRPYRMNTDMYECI-ZETCQYMHSA-N 173.216 1.942 10 10 ADCE Cc1cccc(O)c1[C@H](N)CC(=O)O 238536826 OURQBYCKBMCNPG-SSDOTTSWSA-N 195.218 1.175 10 10 ADCE Cc1cc([C@@H](C)CCN)cc(O)c1O 258121274 QSMFJFGAWWGNMI-ZETCQYMHSA-N 195.262 1.859 10 10 ADCE C[C@H](N=[N+]=[N-])[C@@H]1CCCN1 575454170 GBSIESGDUGYVKW-WDSKDSINSA-N 140.190 1.437 10 10 ADCE Cc1cn(C)nc1[C@@H](CO)N=[N+]=[N-] 1535649891 BEIHYCJHFVAPMO-ZCFIWIBFSA-N 181.199 1.072 10 10 ADCE [N-]=[N+]=N[C@@H]1C2C[C@@H]3C1[C@@H]3C2 1857781143 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ADCE C[C@H]1CS[C@H](CN=[N+]=[N-])N1 87603405 LNZURHYMZODYRF-CRCLSJGQSA-N 158.230 1.348 10 10 ADCE CCC[C@H](C)NC(=O)[C@H](C)N=[N+]=[N-] 104701819 RGUZZZXYILSBNI-BQBZGAKWSA-N 184.243 1.990 10 10 ADCE [N-]=[N+]=NCCn1cncc1[N+](=O)[O-] 147246524 VDDGUWJZSGURBB-UHFFFAOYSA-N 182.143 1.102 10 10 ADCE CCO[C@@H](CO)c1ccc(O)c(O)c1 207721054 COLNPBLCBNGSQE-JTQLQIEISA-N 198.218 1.168 10 10 ADCE C[C@H](O)CC(C)(C)N=[N+]=[N-] 238425997 IPLHJZXWHVDSLU-YFKPBYRVSA-N 143.190 1.846 10 10 ADCE O=C(O)[C@H]1C[C@@H]1c1cccc(O)c1O 238624376 YEYCXMGSCNLTNY-RQJHMYQMSA-N 194.186 1.286 10 10 ADCE CN(C)N=Nc1cccc(C(N)=O)c1 256787399 XKCXZUQTZBASRF-UHFFFAOYSA-N 192.222 1.346 10 10 ADCE CCC(C)(C)NC(=O)NCCN=[N+]=[N-] 395975305 YHOXCXBEQUTRLN-UHFFFAOYSA-N 199.258 1.785 10 10 ADCE CC1(C)CC(=O)O[C@H]1CN=[N+]=[N-] 757224701 QRQCEZFRLHIZSG-YFKPBYRVSA-N 169.184 1.638 10 10 ADCE [N-]=[N+]=NCCCCSCCN 1880402769 JRMMURFBUKEFAV-UHFFFAOYSA-N 174.273 1.769 10 10 ADCE CN(CCCN=[N+]=[N-])C[C@@H]1C[C@H]1F 1882851800 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QTRMHNAJUGDJLM-OIBJUYFYSA-N 181.235 1.081 10 10 ADCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1N 164618493 TWOCVBHEZOMAKH-CRCLSJGQSA-N 126.163 1.177 10 10 ADCE [N-]=[N+]=NCOc1ccccc1CO 196368721 IVCGCWBVZPUCDM-UHFFFAOYSA-N 179.179 1.826 10 10 ADCE CCOc1cccc(O)c1CNC 212929562 OKVJFXYUIOHUTH-UHFFFAOYSA-N 181.235 1.510 10 10 ADCE OC[C@H]1CC[C@H](c2ccccc2O)N1 213490100 WESCMAKBVCTJLD-PSASIEDQSA-N 193.246 1.178 10 10 ADCE CCCC(=O)NCCCCN=[N+]=[N-] 231731095 ULUBDQJGLMGBOE-UHFFFAOYSA-N 184.243 1.993 10 10 ADCE CC[C@H](N)c1c(O)cc(O)cc1F 238309344 OAZKTGTUBYRDTR-ZETCQYMHSA-N 185.198 1.647 10 10 ADCE [N-]=[N+]=NCC1=CCCCO1 238589235 KUQWXDKSRCUCFP-UHFFFAOYSA-N 139.158 1.991 10 10 ADCE O=C1N[C@H]2c3occc3C[C@H]2/C1=C/O 238608986 HNUHXEBIXDBIRX-IMTAUBLQSA-N 191.186 1.065 10 10 ADCE CO[C@@H]1CN[C@@H](c2ccccc2O)C1 257864553 RTLKFKOXBAJRKD-WCBMZHEXSA-N 193.246 1.442 10 10 ADCE C[C@@]1(c2cc(O)ccc2O)CCCN1 258085568 NMNOXLYPAJXVGO-NSHDSACASA-N 193.246 1.696 10 10 ADCE COC1=CN/C(=C(\O)N=N)C=C1 307405705 LTVPQSACPAJMJV-YFWNPAQZSA-N 167.168 1.392 10 10 ADCE [N-]=[N+]=NCCNC(=O)c1ccns1 705427330 QBVMBEIQFAMJAH-UHFFFAOYSA-N 197.223 1.183 10 10 ADCE Cc1cc(C)c(=O)n(CCN=[N+]=[N-])c1 953126598 IRGUNLYTHIMNNR-UHFFFAOYSA-N 192.222 1.775 10 10 ADCE [N-]=[N+]=N[C@H](CO)[C@H]1C[C@H]2C=C[C@H]1C2 1535870761 JYZHKNNGRABJDW-XSPKLOCKSA-N 179.223 1.870 10 10 ADCE Nc1ccc(N[C@H]2C[C@H](N)C2)cc1 1883134352 PAINGFPCGFKEEG-CZMCAQCFSA-N 177.251 1.170 10 10 ADCE NCC=Cc1ccc(F)c(O)c1O 1911650598 YQBJCEBNSSDXOC-UHFFFAOYSA-N 183.182 1.209 10 10 ADCE COC1CC(N)(c2ccccc2O)C1 1928467468 KRTJHGBKBAMZFE-UHFFFAOYSA-N 193.246 1.355 10 10 ADCE C[C@@H](O)C[C@@H](C)Oc1ccc(N)cc1 1934038355 POQYLRDTJAGOSH-RKDXNWHRSA-N 195.262 1.807 10 10 ADCE CC[C@H]1CN(CCN=[N+]=[N-])CC[C@@H]1N 1957242903 BYGMNHFFEXXCGS-IUCAKERBSA-N 197.286 1.356 10 10 ADCE [N-]=[N+]=NCCN1C[C@H](N)C2(CCC2)C1 1957244712 RZCWYTKOFYGELM-QMMMGPOBSA-N 195.270 1.110 10 10 ADCE C[C@H]1C[C@H]1NCc1ccc(O)cc1O 52271464 MLZJUBBKSAROSP-OIBJUYFYSA-N 193.246 1.596 10 10 ADCE CC(=O)c1cc(O)c(O)cc1Cl 75577419 CPAKSYXSVQSELZ-UHFFFAOYSA-N 186.594 1.954 10 10 ADCE Nc1ccc(Cc2cc[nH]n2)cc1 82399658 FGINDDUJOCWJLE-UHFFFAOYSA-N 173.219 1.583 10 10 ADCE CN(C)c1ccc([C@H]2CN2)cc1 82522594 GOOTVHHVQGZZJA-SNVBAGLBSA-N 162.236 1.397 10 10 ADCE O=[N+]([O-])c1ccc(O)c([C@@H]2CCN2)c1 95784626 GAEJBNHHXSXIIZ-QMMMGPOBSA-N 194.190 1.335 10 10 ADCE CN(C)Cc1c(O)cccc1C(=O)O 108374050 NZYYYFGFWSTXLF-UHFFFAOYSA-N 195.218 1.152 10 10 ADCE Nc1ccc(CN2CCCCO2)cc1 164197114 GJIWXCMOKADVJO-UHFFFAOYSA-N 192.262 1.796 10 10 ADCE CN[C@@H](CO)c1c(C)ccc(C)c1O 211763479 WGKWKEAOISSXBS-VIFPVBQESA-N 195.262 1.262 10 10 ADCE CCOC(=O)/C=C\[C@@H](C)N=[N+]=[N-] 216527596 RQWXPSVYBORQAK-WWVFMHICSA-N 169.184 1.805 10 10 ADCE [N-]=[N+]=NCCCC(=O)CCC(=O)O 238615236 KRFLEBBMDMIXDY-UHFFFAOYSA-N 185.183 1.511 10 10 ADCE CCCC1(O)CN(CCN=[N+]=[N-])C1 384027285 DRVZRSBCVBVKAY-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE [N-]=[N+]=NCCN1CC[C@H]2C[C@H]2C1 699249299 YWKPYZSTXURDET-YUMQZZPRSA-N 166.228 1.639 10 10 ADCE CC1(C)[C@@H](N)[C@@H]1c1cccc(O)c1O 1535734056 HRIKQTWLNXUCAK-WPRPVWTQSA-N 193.246 1.549 10 10 ADCE [N-]=[N+]=N[C@H](CO)c1ccccc1O 1535826892 BTRUTAZVXFYAJC-SSDOTTSWSA-N 179.179 1.736 10 10 ADCE O=[N+]([O-])C=Cc1cc(O)c(O)cc1O 1857777891 YQKLIZBJHGJBBY-UHFFFAOYSA-N 197.146 1.051 10 10 ADCE CC(=O)C(=O)[C@@](C)(O)C1(C)CCCC1 1887210198 ISRDBOKRLFTWON-LLVKDONJSA-N 198.262 1.476 10 10 ADCE CC1(C)CC[C@@H](N)CN1CCN=[N+]=[N-] 1890225226 OTTTUEKAKVTEEZ-MRVPVSSYSA-N 197.286 1.498 10 10 ADCE Nc1ccc(NC[C@H]2C=CCN2)cc1 1896461617 XPWMGRVIBOIMHN-LLVKDONJSA-N 189.262 1.209 10 10 ADCE CC(C)(N)[C@@H]1CCN(CCN=[N+]=[N-])C1 1904263687 RUYNXZCQISNFIH-MRVPVSSYSA-N 197.286 1.356 10 10 ADCE CCC[C@@H](O)CN1CC[C@H](N=[N+]=[N-])C1 1933620251 WPCCUARYTBOGRN-DTWKUNHWSA-N 198.270 1.532 10 10 ADCE COc1cnccc1[C@H](CO)N=[N+]=[N-] 1951436933 ATMUHGKBNODFNV-ZETCQYMHSA-N 194.194 1.434 10 10 ADCE CN[C@@H](COC)c1cccc(F)c1O 1951854629 KPPYPLLTZIXPRY-VIFPVBQESA-N 199.225 1.438 10 10 ADCE C[C@@H]1C[C@@H](O)CCN(CCN=[N+]=[N-])C1 1955411696 RORIHOMMGDUMAF-BDAKNGLRSA-N 198.270 1.390 10 10 ADCE [N-]=[N+]=N[C@@H]1CCN(CCC2COC2)C1 1955560504 BASBMHXSMYWULU-SECBINFHSA-N 196.254 1.408 10 10 ADCE OCC=Cc1cccc(O)c1O 2055860223 OXPNMGJGEUNBPO-UHFFFAOYSA-N 166.176 1.103 10 10 ADCE [N-]=[N+]=NC[C@](O)(CO)c1ccccc1 137082471 NTVFCAZOLORLRD-VIFPVBQESA-N 193.206 1.177 10 10 ADCE C[C@@H]1NCCc2c(N)ccc(O)c21 212773560 LMHKAYUBYQTAPX-LURJTMIESA-N 178.235 1.181 10 10 ADCE COc1cc(O)c(C2(N)CC2)c(F)c1 214877869 GGOHJNSEZKHLKA-UHFFFAOYSA-N 197.209 1.488 10 10 ADCE CC[C@H](N)c1cc(O)cc(C)c1O 238313888 AGXQITLABNVFTO-VIFPVBQESA-N 181.235 1.816 10 10 ADCE COc1ccc(N(C)C)cc1[C@H](C)O 258123741 QTGDFUDNHLCXCF-QMMMGPOBSA-N 195.262 1.815 10 10 ADCE Cc1ccc(F)c(O)c1[C@H](N)CCN 307280727 ZPXCZXPNACONJE-MRVPVSSYSA-N 198.241 1.188 10 10 ADCE CC(C)(C)N=Nc1nonc1N 307912745 MIYXPGQOFOBZQB-UHFFFAOYSA-N 169.188 1.534 10 10 ADCE N#CN=NC(=O)c1ccccc1 394671248 SISPERNKPCHEJO-UHFFFAOYSA-N 159.148 1.760 10 10 ADCE C[C@H]1C[C@@H](C)C(=O)N(CCN=[N+]=[N-])C1 885819217 ICZABEUNLVSTMK-JGVFFNPUSA-N 196.254 1.801 10 10 ADCE CCNCC(C)(C)CN=[N+]=[N-] 1880516294 OTGZHOMHMBKSHL-UHFFFAOYSA-N 156.233 1.932 10 10 ADCE [N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@H]2CCO[C@H]21 1884078199 HVVJVBQUKIKTQK-ULAWRXDQSA-N 183.211 1.083 10 10 ADCE C[C@@]1(CCO)CCN1CCCN=[N+]=[N-] 1904864990 IRHLPDRLJMQRMD-VIFPVBQESA-N 198.270 1.534 10 10 ADCE [N-]=[N+]=NC1CCN(CCCO)CC1 1912163199 GQCDUQDQYVPRLP-UHFFFAOYSA-N 184.243 1.144 10 10 ADCE CCN(C)C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912174851 FHVBMNZUCRIPHB-SSDOTTSWSA-N 197.242 1.443 10 10 ADCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CC[C@H](C2)C1 1929187673 MSYQDJQYUVSQPX-JZYVYDRUSA-N 196.246 1.086 10 10 ADCE CCCN[C@@H](CO)c1ccccc1O 1929439787 VNLYTTQBNNXRSI-JTQLQIEISA-N 195.262 1.425 10 10 ADCE O=C(S)c1cccc(O)c1O 1951474117 WCVIFMKREDVWBI-UHFFFAOYSA-N 170.189 1.168 10 10 ADCE CC[C@@]1(N)CCCN(CCN=[N+]=[N-])C1 1957245611 YYYAAHKXZUYXEJ-SECBINFHSA-N 197.286 1.500 10 10 ADCE Cc1ccc([C@@H](NN)C2CC2)c(O)c1 2080453166 GAVHYMWEJCUWEH-NSHDSACASA-N 192.262 1.615 10 10 ADCE [N-]=[N+]=NCC1(C(=O)O)CCOCC1 2209375895 MVTQAMBABCEQMP-UHFFFAOYSA-N 185.183 1.178 10 10 ADCE