smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(Cc1ccc(N)cc1)C1CNC1 1120268787 JDSQNZJJNXSTNJ-UHFFFAOYSA-N 191.278 0.672 10 20 ACCD CNCCNCc1cc(F)ccc1O 841035495 KGBUOENILMXTTG-UHFFFAOYSA-N 198.241 0.840 10 20 ACCD O=C(c1cc(O)cs1)N1CC(O)C1 306263248 YEMGZHQSPSQSMI-UHFFFAOYSA-N 199.231 0.270 10 20 ACCD NOCCCNCc1ccccc1O 904458011 XPNWEJLSAOWDGE-UHFFFAOYSA-N 196.250 0.762 10 20 ACCD NCCCC(=O)Nc1ccc(N)cc1 169810885 OKNYOPWUOINXRW-UHFFFAOYSA-N 193.250 0.946 10 20 ACCD [N-]=[N+]=NCC(=O)N1C[C@H]2COC[C@@H]2C1 409433415 YFSIULXAPMHZKT-BQBZGAKWSA-N 196.210 0.402 10 20 ACCD Nc1ccc(NC(=O)[C@H]2CCN2)cc1 224520749 JBYZAZSSKVXVHY-SECBINFHSA-N 191.234 0.569 10 20 ACCD C[C@H](O)[C@H](N)c1cccc(F)c1O 95674652 MLCWAEBPINQEFA-XNCJUZBTSA-N 185.198 0.912 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC[C@H](CO)C1 409425472 FZYOVXDIRMUSMJ-ZETCQYMHSA-N 198.226 0.528 10 20 ACCD [N-]=[N+]=NCC(=O)N1CC[C@H](CO)C1 409429623 OYBYLYGOYGXMHW-LURJTMIESA-N 184.199 0.138 10 20 ACCD C[C@@H](CN)C(=O)Nc1ccc(N)cc1 306926536 QGIYQOUUGAJOOU-ZETCQYMHSA-N 193.250 0.802 10 20 ACCD Cc1c(O)c(O)cc(O)c1C=O 14814486 XXHYEUMPNXPMOJ-UHFFFAOYSA-N 168.148 0.924 10 20 ACCD CN(CCN)c1ccc(N)cc1 82632819 YZRMETDRFSZLEC-UHFFFAOYSA-N 165.240 0.664 10 20 ACCD O=[N+]([O-])CCc1ccc(O)c(O)c1 2519182 IMTNZDJNWVGNNN-UHFFFAOYSA-N 183.163 0.917 10 20 ACCD CNC(=S)NCc1cccn1C 231647842 KUUQOQSZCIIODU-UHFFFAOYSA-N 183.280 0.619 10 20 ACCD C[C@@H](CN)CNCc1ccc(N)cc1 1356082858 FZHJLKMJJOZMKW-VIFPVBQESA-N 193.294 0.953 10 20 ACCD CCCC(=O)OCC(=O)C(C)=O 308044101 OOXVDWQHFBVAGZ-UHFFFAOYSA-N 172.180 0.488 10 20 ACCD CCCC(=O)C(=O)C(=O)OCC 34174806 NCXBJWBAZVILED-UHFFFAOYSA-N 172.180 0.488 10 20 ACCD CN(CCO)Cc1ccc(N)cc1 35360401 WSZWBUAVTIIUOV-UHFFFAOYSA-N 180.251 0.693 10 20 ACCD C[C@@H](N)C(=O)NCc1ccc(N)cc1 169809103 VWLAPLDAELWGPP-SSDOTTSWSA-N 193.250 0.232 10 20 ACCD [N-]=[N+]=NCCn1nccc1O 409437887 JPGVQSLPONMLOK-UHFFFAOYSA-N 153.145 0.899 10 20 ACCD CN(Cc1ccccc1O)C1CNC1 85257376 MCPOQFQDUJDEGF-UHFFFAOYSA-N 192.262 0.796 10 20 ACCD OCCCNCc1ccccc1O 20187876 NSQMASCDUDDLNX-UHFFFAOYSA-N 181.235 0.864 10 20 ACCD C[C@H]1CN(CCN=[N+]=[N-])CC[C@H]1O 253172672 BOEKZCOHAOPQNA-JGVFFNPUSA-N 184.243 0.999 10 20 ACCD COCC(=O)NCc1ccc(N)cc1 48631503 IMPOBDZHXZIWND-UHFFFAOYSA-N 194.234 0.531 10 20 ACCD CC(=O)C(=O)COC(=O)C=C(C)C 308263769 ODIDNFDCELMOEN-UHFFFAOYSA-N 184.191 0.654 10 20 ACCD O=C(CO)NCc1ccccc1O 307681606 QBTJKZANOIXBFJ-UHFFFAOYSA-N 181.191 0.001 10 20 ACCD COc1cccc([C@@H](N)CO)c1O 72197473 UKIURAQTTNJVFG-ZETCQYMHSA-N 183.207 0.393 10 20 ACCD NCCN[C@H]1CCc2cccc(O)c21 306350228 NVXDRBHAELXHPX-VIFPVBQESA-N 192.262 0.928 10 20 ACCD CNCCNCc1cccc(F)c1O 841037341 ZNKUXZPDOPMSHG-UHFFFAOYSA-N 198.241 0.840 10 20 ACCD C[C@@H](O)C(=O)NCc1ccccc1O 787131507 NXKZLPXFRIODPF-SSDOTTSWSA-N 195.218 0.389 10 20 ACCD Cc1ccc(O)c(CNCCO)c1 70955102 LHWPNSOMTWWUIS-UHFFFAOYSA-N 181.235 0.783 10 20 ACCD CNCC(=O)N(C)c1ccc(N)cc1 877078945 KMKIXWMTCOVOOD-UHFFFAOYSA-N 193.250 0.451 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)C2CC2)C1 409423373 NUPSIINQYZFJCN-UHFFFAOYSA-N 166.184 0.918 10 20 ACCD CN1CCC/C(=C\O)C1=O 197211987 KQJACJVFSLUVRC-AATRIKPKSA-N 141.170 0.681 10 20 ACCD in-vitro C[C@H](O)[C@H]1CCN(C(=O)CN=[N+]=[N-])C1 409433447 YHODNWKXIIFVEB-BQBZGAKWSA-N 198.226 0.526 10 20 ACCD COC(OC)[C@@H]1CCCC(=O)C1=O 122644980 FCLOCNTXPUZIMC-ZCFIWIBFSA-N 186.207 0.544 10 20 ACCD [N-]=[N+]=NCCN1CC(CO)C1 409426686 INISAPBBYJQNHD-UHFFFAOYSA-N 156.189 0.221 10 20 ACCD [N-]=[N+]=NCC(=O)N1[C@H]2COC[C@H]1C2 409429198 ODDBNHSBJPGYGS-PHDIDXHHSA-N 182.183 0.296 10 20 ACCD C[C@H]1CN(CCN=[N+]=[N-])C[C@H]1CO 409428186 LTXSWNKDXABEOL-YUMQZZPRSA-N 184.243 0.857 10 20 ACCD C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@@H]1CO 409425010 DRJSQEUQTHXEPL-RNFRBKRXSA-N 198.226 0.384 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCSCC1 229011692 RQOQTODUVJCXEB-UHFFFAOYSA-N 186.240 0.872 10 20 ACCD CN(C)C(=N)NCc1ccccc1O 848984978 PHTHLYCTFIRTAD-UHFFFAOYSA-N 193.250 0.978 10 20 ACCD CN(CCN)Cc1cccc(F)c1O 841100030 CUKDWABCPDINMC-UHFFFAOYSA-N 198.241 0.922 10 20 ACCD CC(=O)N1CCC(O)(CN=[N+]=[N-])CC1 307555168 XTPDGOGDVWXCAD-UHFFFAOYSA-N 198.226 0.670 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC[C@H](O)C1 409424900 DKPCDAHGEOJTIN-LURJTMIESA-N 184.199 0.280 10 20 ACCD COCC(=O)NCc1ccccc1O 82276338 OJOJESAWZBPECB-UHFFFAOYSA-N 195.218 0.655 10 20 ACCD O=C(CCO)NCc1ccccc1O 902834771 LNCSGFRLCJKGBX-UHFFFAOYSA-N 195.218 0.391 10 20 ACCD C[C@H](O)[C@H]1CCCN1C(=O)CN=[N+]=[N-] 409427460 KKUVBIIYLCRYKT-NKWVEPMBSA-N 198.226 0.669 10 20 ACCD [N-]=[N+]=N[C@H]1CCS(=O)(=O)C1 42391433 PBARYXXGXPLGSE-BYPYZUCNSA-N 161.186 0.484 10 20 ACCD O=C1CCC[C@@H]([C@H]2CCCN2)C1=O 164514146 SSORHFKEYZJWNN-JGVFFNPUSA-N 181.235 0.677 10 20 ACCD C[C@@H](NCc1ccc(N)cc1)C(=O)O 1599841681 CZVQXUFWAINAMS-SSDOTTSWSA-N 194.234 0.832 10 20 ACCD CC(=O)C(=O)Cn1cc(C)nc1C 865361743 XWUGJVGCYZIWRY-UHFFFAOYSA-N 180.207 0.658 10 20 ACCD C[C@H](N)C(=O)NCc1ccc(N)cc1 83341930 VWLAPLDAELWGPP-ZETCQYMHSA-N 193.250 0.232 10 20 ACCD CCNCC(=O)Nc1ccc(N)cc1 307141491 JNVQDDLJJHWLCT-UHFFFAOYSA-N 193.250 0.817 10 20 ACCD CC(C)NC(=O)CN=[N+]=[N-] 104701335 RJJDBUUTMSOQPO-UHFFFAOYSA-N 142.162 0.821 10 20 ACCD COc1ccc(O)c(CNC(=N)N)c1 849079071 PPBAGSXTHSSTFQ-UHFFFAOYSA-N 195.222 0.384 10 20 ACCD N[C@H](CO)c1ccc(O)c(O)c1 72197300 ANSZATXVVUZASJ-ZCFIWIBFSA-N 169.180 0.090 10 20 ACCD Cc1cccc(O)c1CNCCO 877143294 KWSRLWYYNHRELS-UHFFFAOYSA-N 181.235 0.783 10 20 ACCD C[C@H](N)C(=O)N(C)c1ccc(N)cc1 877079433 YOUNZFDFXGNQKE-ZETCQYMHSA-N 193.250 0.579 10 20 ACCD C[C@@H](O)[C@@H](N)c1ccc(F)cc1O 95671785 MTZMSHWWWQFRBU-MLUIRONXSA-N 185.198 0.912 10 20 ACCD CON(C)C(=O)Cc1ccc(N)cc1 36825454 WOEFVVLCRZRAJU-UHFFFAOYSA-N 194.234 0.831 10 20 ACCD Cn1ncnc1Cc1ccc(N)cc1 54498660 UJUSZCXPKJOEHH-UHFFFAOYSA-N 188.234 0.988 10 20 ACCD C[C@H](CN)CNCc1ccc(N)cc1 1356082857 FZHJLKMJJOZMKW-SECBINFHSA-N 193.294 0.953 10 20 ACCD C[C@@H]1CN(CCN=[N+]=[N-])C[C@H]1CO 409428183 LTXSWNKDXABEOL-SFYZADRCSA-N 184.243 0.857 10 20 ACCD C[C@H](CN)NCc1cccc(F)c1O 841061450 YIQQWSDLQWLIMO-SSDOTTSWSA-N 198.241 0.968 10 20 ACCD C[C@H](O)[C@H](N)c1ccccc1O 95672113 JXKFVSLCCUBGIK-RCOVLWMOSA-N 167.208 0.773 10 20 ACCD CN(Cc1ccccc1O)C(N)=O 306342261 ZQJIZKOZNYIASL-UHFFFAOYSA-N 180.207 0.903 10 20 ACCD Nc1ccc(CN2CC[C@H](N)C2)cc1 225967384 NPGHFPNTSTZELE-NSHDSACASA-N 191.278 0.802 10 20 ACCD CN(CCO)c1ccc2c(c1)OCO2 49811447 YUKLPVOPOFVDIK-UHFFFAOYSA-N 195.218 0.844 10 20 ACCD CC(=O)C(=O)C[C@@H]1CCCN1 164512989 FCNJZRDXAQJIBW-ZETCQYMHSA-N 155.197 0.287 10 20 ACCD CCCNC(=O)CN=[N+]=[N-] 100673036 LLTLQCLSYYJIOZ-UHFFFAOYSA-N 142.162 0.823 10 20 ACCD CCCCC(=O)OCC(=O)C(C)=O 308391154 ZPHFYVWLPJEHHL-UHFFFAOYSA-N 186.207 0.878 10 20 ACCD C[C@@H](O)[C@H](N)c1cc(F)ccc1O 95674671 QKBGBCAUPWUFND-ANLVUFKYSA-N 185.198 0.912 10 20 ACCD [N-]=[N+]=NCCN1[C@H]2COC[C@H]1C2 409423737 AIRSOCAXJYMWKU-RNFRBKRXSA-N 168.200 0.770 10 20 ACCD C[C@H](O)[C@@H]1CCCN1C(=O)CN=[N+]=[N-] 409427453 KKUVBIIYLCRYKT-BQBZGAKWSA-N 198.226 0.669 10 20 ACCD CNCC(=O)NCc1ccccc1O 82276144 UWRNIJRKCLIMNJ-UHFFFAOYSA-N 194.234 0.228 10 20 ACCD COc1ccc(O)c(CNC(N)=O)c1 734064217 YMOUYPLSABHGOY-UHFFFAOYSA-N 196.206 0.569 10 20 ACCD O=C(NCCF)c1cccc(O)c1O 306156837 LZZZPCDLDYJHNN-UHFFFAOYSA-N 199.181 0.797 10 20 ACCD Oc1ccccc1CN[C@@H]1CCNC1 162940543 TXLXXXUMVUNKJW-SNVBAGLBSA-N 192.262 0.844 10 20 ACCD COC[C@@H]1CCN(C(=O)CN=[N+]=[N-])C1 409432874 WUFKATSGIDKGNP-SSDOTTSWSA-N 198.226 0.792 10 20 ACCD CN(C)c1ccc(CNC(N)=O)cc1 114259062 LLGBORGYPPFVNA-UHFFFAOYSA-N 193.250 0.921 10 20 ACCD O=C1CCC[C@H](C(=O)C(F)F)C1=O 122649846 VYDSPYJXMCXNGF-BYPYZUCNSA-N 190.145 0.759 10 20 ACCD C[C@H](CN)NCc1ccccc1O 235455810 WZVBBNBHGPKUGO-MRVPVSSYSA-N 180.251 0.829 10 20 ACCD CC(=O)C(=O)C[C@@H]1NC[C@@H]2CCC[C@@H]12 299899230 XZOYUWGJWBGMAH-AEJSXWLSSA-N 195.262 0.923 10 20 ACCD CO[C@@H]1CCCN(C(=O)CN=[N+]=[N-])C1 409434028 ZPJNTPWRKZLXBG-SSDOTTSWSA-N 198.226 0.934 10 20 ACCD C[C@@H](CN)NCc1cc(F)ccc1O 841062731 CARIKEQFOOOFCM-ZETCQYMHSA-N 198.241 0.968 10 20 ACCD CNC(=O)NCc1ccccc1O 136335273 SAIAMRZLEHEVJJ-UHFFFAOYSA-N 180.207 0.821 10 20 ACCD N[C@H](CO)c1cc(O)ccc1O 72197298 DXOPCURXIBLUGV-SSDOTTSWSA-N 169.180 0.090 10 20 ACCD Cn1nnnc1Sc1nccs1 60217167 BYEKBFLXVWUUAX-UHFFFAOYSA-N 199.264 0.818 10 20 ACCD OCCNCc1ccc2c(c1)CCO2 37362999 KLFUHUINYPUPTP-UHFFFAOYSA-N 193.246 0.703 10 20 ACCD CN[C@@H](C)C(=O)Nc1ccc(N)cc1 848392943 KXXRZFNCOWJYLZ-ZETCQYMHSA-N 193.250 0.815 10 20 ACCD [N-]=[N+]=NCC(=O)N1CC(CF)C1 409423839 ATERVPFCXKGWHN-UHFFFAOYSA-N 172.163 0.725 10 20 ACCD CNCCN(C)Cc1ccc(N)cc1 1334773992 BYJVPCJZRFWVNB-UHFFFAOYSA-N 193.294 0.920 10 20 ACCD [N-]=[N+]=NCC(=O)N1CC(F)(F)C1 409422061 AEXXAEAVANMDOS-UHFFFAOYSA-N 176.126 0.774 10 20 ACCD [N-]=[N+]=NCC(=O)N1CC[C@@H](F)C1 409432884 WUWFNWCLBJBAMO-RXMQYKEDSA-N 172.163 0.867 10 20 ACCD C[C@H]1CN(CCN=[N+]=[N-])CC[C@@H]1O 127183460 BOEKZCOHAOPQNA-YUMQZZPRSA-N 184.243 0.999 10 20 ACCD Nc1ccc(CNc2cnn[nH]2)cc1 1580447115 QKZPJIPJKPGUJM-UHFFFAOYSA-N 189.222 0.999 10 20 ACCD C[C@@H]1CN(CCN=[N+]=[N-])C[C@@H]1CO 409428010 LTXSWNKDXABEOL-HTQZYQBOSA-N 184.243 0.857 10 20 ACCD [N-]=[N+]=NC1(C(N)=O)CCC1 1898242758 HQIFMPXEXADTGF-UHFFFAOYSA-N 140.146 0.705 10 20 ACCD CC(C)(N)C(=O)Nc1ccc(N)cc1 145574018 IZJXAGUUHSCPFJ-UHFFFAOYSA-N 193.250 0.945 10 20 ACCD CONC(=O)c1ccc(C)c(O)c1O 751533757 QPSNZYXRPCMPGF-UHFFFAOYSA-N 197.190 0.697 10 20 ACCD C[C@@H](O)[C@@H]1CCN(C(=O)CN=[N+]=[N-])C1 409433449 YHODNWKXIIFVEB-RNFRBKRXSA-N 198.226 0.526 10 20 ACCD N[C@H](CO)c1ccc(O)cc1O 72197302 CKYMQDFMEJIGMS-SSDOTTSWSA-N 169.180 0.090 10 20 ACCD Nc1ccc(OCC2=NCCN2)cc1 34180062 JXMZWLUVWQRPEO-UHFFFAOYSA-N 191.234 0.649 10 20 ACCD COCC(=O)[C@H]1CCCC(=O)C1=O 122645677 HVOZAILTVZZVDG-ZCFIWIBFSA-N 184.191 0.140 10 20 ACCD C[C@@H](O)[C@H]1CCN(C(=O)CN=[N+]=[N-])C1 409433451 YHODNWKXIIFVEB-RQJHMYQMSA-N 198.226 0.526 10 20 ACCD O=C(OCCO)c1cccc(O)c1O 60296757 YODPMDKTODTXAJ-UHFFFAOYSA-N 198.174 0.247 10 20 ACCD COCCN(C)C(=O)CN=[N+]=[N-] 409427652 KEHHRIOUXWTGFC-UHFFFAOYSA-N 172.188 0.402 10 20 ACCD COc1ccc(CNCCO)c(O)c1 32023807 YOGNESNOVFPWQV-UHFFFAOYSA-N 197.234 0.483 10 20 ACCD CC(=O)NCc1ccc(O)c(O)c1 169001202 BGTWZKPPIMMLMF-UHFFFAOYSA-N 181.191 0.734 10 20 ACCD [N-]=[N+]=NCC(=O)N1CC[C@@H](CO)C1 409429625 OYBYLYGOYGXMHW-ZCFIWIBFSA-N 184.199 0.138 10 20 ACCD [N-]=[N+]=NCCN1C[C@H]2COC[C@H]2C1 409424022 AZGYYUAENDCWDC-OCAPTIKFSA-N 182.227 0.875 10 20 ACCD CC(=O)C(=O)CC(=O)C(F)F 122641399 UCFYVQHLUDCBMO-UHFFFAOYSA-N 164.107 0.369 10 20 ACCD [N-]=[N+]=NCC(=O)N1CC[C@H](F)C1 409432885 WUWFNWCLBJBAMO-YFKPBYRVSA-N 172.163 0.867 10 20 ACCD C[C@@H](NC(=O)CO)c1ccccc1O 827941861 ZANOWPLJKOPIQO-SSDOTTSWSA-N 195.218 0.562 10 20 ACCD COC[C@H]1CCCN1C(=O)CN=[N+]=[N-] 409426698 INRQTIVJIDRIRE-SSDOTTSWSA-N 198.226 0.934 10 20 ACCD N[C@H](CO)c1cc(F)ccc1O 72197350 CHCIOONVAWWDES-SSDOTTSWSA-N 171.171 0.523 10 20 ACCD O=Cc1ccc(O)c(O)c1C(=O)O 11919663 ZHZXXNUWCUEKIU-UHFFFAOYSA-N 182.131 0.609 10 20 ACCD CN(C)c1ccc(CNC(=N)N)cc1 73640662 GNMHYCWIIPKHTH-UHFFFAOYSA-N 192.266 0.736 10 20 ACCD C[C@H]1CN(C(=O)CN=[N+]=[N-])C[C@@H]1CO 409425009 DRJSQEUQTHXEPL-NKWVEPMBSA-N 198.226 0.384 10 20 ACCD C[C@@H](O)[C@H](N)c1ccc(F)cc1O 95685839 MTZMSHWWWQFRBU-ANLVUFKYSA-N 185.198 0.912 10 20 ACCD CC(=O)C(=O)C[C@@H]1C[C@@H](C)CCN1 130375604 GMZIIWWEHZUOKE-CBAPKCEASA-N 183.251 0.923 10 20 ACCD CCNCCNCc1ccc(N)cc1 107801720 YOUJYVLGNUPJAU-UHFFFAOYSA-N 193.294 0.968 10 20 ACCD O=C1NC(=O)[C@@H](c2ccccc2O)N1 6095431 GKVUJUZMDDAMHS-SSDOTTSWSA-N 192.174 0.273 10 20 ACCD N[C@@H](CF)c1c(O)cc(O)cc1O 238572144 BNIINMWRJJCQFM-YFKPBYRVSA-N 187.170 0.773 10 20 ACCD C[C@H](O)[C@H](N)c1ccc(F)cc1O 95685838 MTZMSHWWWQFRBU-CDUCUWFYSA-N 185.198 0.912 10 20 ACCD COC(OC)[C@H]1CCCC(=O)C1=O 122645194 FCLOCNTXPUZIMC-LURJTMIESA-N 186.207 0.544 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)c2cn[nH]c2)C1 409422950 JVKLAKXZMLYCOC-UHFFFAOYSA-N 192.182 0.544 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC(O)CC1 409425483 GDPZFCJOWLNZKG-UHFFFAOYSA-N 184.199 0.280 10 20 ACCD CC(C)NC(=O)CN1CC(N=[N+]=[N-])C1 409424461 VJVMXBWNVAMPPJ-UHFFFAOYSA-N 197.242 0.506 10 20 ACCD CC[C@@H](N)C(=O)Nc1ccc(N)cc1 306917222 XVKIRQRPWFKKLH-SECBINFHSA-N 193.250 0.945 10 20 ACCD Nc1ccc(NC(=O)C2(N)CC2)cc1 306639703 ICDBDZCWVBTMNO-UHFFFAOYSA-N 191.234 0.699 10 20 ACCD CN(C(=O)CCN)c1ccc(N)cc1 877079474 ZVTVXBHPURSQCJ-UHFFFAOYSA-N 193.250 0.580 10 20 ACCD O=C(NCCO)c1cc(O)cs1 306362142 RMAFVGILFTWWNL-UHFFFAOYSA-N 187.220 0.176 10 20 ACCD CN(CCN)Cc1ccc(N)cc1 1334755090 VJQDVJWUTVGJEE-UHFFFAOYSA-N 179.267 0.659 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC[C@H]1CO 409430620 QXPOLRFINKTGNK-LURJTMIESA-N 184.199 0.280 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC(CO)CC1 409428449 MPSBSBWCPGAJRP-UHFFFAOYSA-N 198.226 0.528 10 20 ACCD N[C@@H]1CCN(Cc2ccccc2O)C1 38538701 RWIMLWWHVIJHRA-SNVBAGLBSA-N 192.262 0.925 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)[C@@H]2CCOC2)C1 409423992 SGTUSZULDOIEDN-ZCFIWIBFSA-N 196.210 0.544 10 20 ACCD NC(=O)NCc1ccccc1O 136335374 OCNWVUOTEMCHSM-UHFFFAOYSA-N 166.180 0.561 10 20 ACCD C[C@@H](NCC(N)=O)c1ccccc1O 21963670 JDVNCIFLYLSTJN-SSDOTTSWSA-N 194.234 0.528 10 20 ACCD CN1CCCN(C(=O)CN=[N+]=[N-])CC1 229012310 XZHBESGJJOHJNP-UHFFFAOYSA-N 197.242 0.461 10 20 ACCD C[C@@H](CN)NCc1cccc(F)c1O 841064296 YIQQWSDLQWLIMO-ZETCQYMHSA-N 198.241 0.968 10 20 ACCD [N-]=[N+]=NCCN1CCOCC1=O 86433367 RQQBDOWOCHISFI-UHFFFAOYSA-N 170.172 0.156 10 20 ACCD CCNC(=O)c1c(F)ccc(O)c1O 789955415 ZVWTZUJOMWJXQZ-UHFFFAOYSA-N 199.181 0.987 10 20 ACCD C[C@@H](N)CC(=O)Nc1ccc(N)cc1 306291184 QQFIUZMCWVGPKX-SSDOTTSWSA-N 193.250 0.945 10 20 ACCD COc1ccc([C@H](N)CO)c(O)c1 72197474 WRVXBHQZFOLCHZ-MRVPVSSYSA-N 183.207 0.393 10 20 ACCD CCONC(=O)c1cccc(O)c1O 163280878 DOMIVHHYZCJIHB-UHFFFAOYSA-N 197.190 0.779 10 20 ACCD O=C(O)CCNCc1ccccc1O 36892021 ATWYAYYXLCVCME-UHFFFAOYSA-N 195.218 0.957 10 20 ACCD CNCCCNCc1ccc(N)cc1 83342052 CWWCOHBYULAVFC-UHFFFAOYSA-N 193.294 0.968 10 20 ACCD CC(=O)C(=O)C[C@@H]1CCCCN1 164513279 XVDZDVFNCGLNPZ-QMMMGPOBSA-N 169.224 0.677 10 20 ACCD CCOCC(=O)N1CC(N=[N+]=[N-])C1 409423512 OVEHTRQZGKFWLJ-UHFFFAOYSA-N 184.199 0.544 10 20 ACCD CCNC(=O)c1cccc(O)c1O 78911523 RRYTWUYOUOYLGW-UHFFFAOYSA-N 181.191 0.848 10 20 ACCD CO[C@H]1CCN(C(=O)CN=[N+]=[N-])C1 409426080 HLUMPWAHUIYRSC-LURJTMIESA-N 184.199 0.544 10 20 ACCD C[C@@H]1CN(CCN=[N+]=[N-])CC[C@@H]1O 127183233 BOEKZCOHAOPQNA-SFYZADRCSA-N 184.243 0.999 10 20 ACCD Cc1ccc(CNCCO)c(O)c1 83340563 HZDPXPASXWBTJK-UHFFFAOYSA-N 181.235 0.783 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)[C@H]2CCCO2)C1 409422058 AETAABZHZIAZRN-SSDOTTSWSA-N 196.210 0.687 10 20 ACCD NC1CC(NCc2ccccc2O)C1 162941939 UGLLTXSSWXPYIO-UHFFFAOYSA-N 192.262 0.972 10 20 ACCD NC(=O)[C@@H]1CCN1c1ccc(N)cc1 167374709 QLIPQNLRDDAXOU-VIFPVBQESA-N 191.234 0.333 10 20 ACCD CN(C)c1ccc(OCC(N)=O)cc1 757703412 HPHNQROEBXMBSD-UHFFFAOYSA-N 194.234 0.617 10 20 ACCD O=C1CCC[C@@H]([C@@H]2CCCN2)C1=O 164513900 SSORHFKEYZJWNN-YUMQZZPRSA-N 181.235 0.677 10 20 ACCD CC(=O)C(=O)C[C@@H]1NC[C@H]2CCC[C@@H]21 229137702 XZOYUWGJWBGMAH-UTLUCORTSA-N 195.262 0.923 10 20 ACCD COc1cc(CO)cc(O)c1O 44198537 KJZUJQOHESISLD-UHFFFAOYSA-N 170.164 0.599 10 20 ACCD COC1CN(C(=O)CN=[N+]=[N-])C1 409424908 DLSHSDRSRGXDIH-UHFFFAOYSA-N 170.172 0.154 10 20 ACCD COCC(=O)N1CC(N=[N+]=[N-])C1 409423852 QKZBXQDDQLLRFN-UHFFFAOYSA-N 170.172 0.154 10 20 ACCD Cc1c(O)c(O)cc(O)c1C(=O)O 14814510 NXNCXCHKAILAOR-UHFFFAOYSA-N 184.147 0.810 10 20 ACCD C[C@H](O)[C@@H](N)c1ccc(F)cc1O 95671784 MTZMSHWWWQFRBU-SSDLBLMSSA-N 185.198 0.912 10 20 ACCD Nc1ccc(CN[C@@H]2CC[C@H]2O)cc1 725237063 OSFPHAGQZJYXSY-GHMZBOCLSA-N 192.262 0.882 10 20 ACCD [N-]=[N+]=NC[C@H]1CCNCCO1 1898242912 JEBHBHWAPRNWAQ-ZCFIWIBFSA-N 156.189 0.675 10 20 ACCD CNCCNCc1ccc(N)cc1 1262488072 PECDIHCBOQNBHQ-UHFFFAOYSA-N 179.267 0.578 10 20 ACCD CN(CCO)Cc1ccccc1O 84857707 RCDBGJYBJPLXIC-UHFFFAOYSA-N 181.235 0.816 10 20 ACCD NCCNCc1cc(F)ccc1O 236263011 AIQZFQKUHCTBTB-UHFFFAOYSA-N 184.214 0.580 10 20 ACCD COc1cc([C@@H](N)CO)cc(O)c1O 72197867 XSYVCRXYJCUUQZ-LURJTMIESA-N 199.206 0.099 10 20 ACCD C[C@@H](O)[C@@H](N)c1cccc(F)c1O 95663304 MLCWAEBPINQEFA-SVGQVSJJSA-N 185.198 0.912 10 20 ACCD C[C@@H](N)C(=O)N(C)c1ccc(N)cc1 877079432 YOUNZFDFXGNQKE-SSDOTTSWSA-N 193.250 0.579 10 20 ACCD N[C@H](CO)c1cccc(O)c1O 72197306 UCEYGZDCHHZQAJ-ZCFIWIBFSA-N 169.180 0.090 10 20 ACCD C[C@H](O)[C@@H](N)c1cc(F)ccc1O 95663337 QKBGBCAUPWUFND-SSDLBLMSSA-N 185.198 0.912 10 20 ACCD CN(C)c1ccc([C@](C)(N)CO)cc1 38124412 LYKRPGBPQMGSFN-LLVKDONJSA-N 194.278 0.919 10 20 ACCD [N-]=[N+]=NC[C@H]1CNC(=O)C1(F)F 1898199668 WFGLXSQLPKZJNB-GSVOUGTGSA-N 176.126 0.678 10 20 ACCD CO[C@H]1CCCN(C(=O)CN=[N+]=[N-])C1 409434076 ZPJNTPWRKZLXBG-ZETCQYMHSA-N 198.226 0.934 10 20 ACCD CCNC(=O)Cc1ccc(O)c(O)c1 34475918 PZHRPPFOGJNSJA-UHFFFAOYSA-N 195.218 0.776 10 20 ACCD OCc1cc(O)c(O)c(O)c1 14488701 JUDVWZSPIDFZLA-UHFFFAOYSA-N 156.137 0.296 10 20 ACCD Cc1ccc([C@H](N)CO)c(O)c1 72197278 UEQGTBNKGUXJPW-MRVPVSSYSA-N 167.208 0.693 10 20 ACCD C[C@H](N)C(=O)NCc1ccccc1O 83342091 JYUHFHPZKQKVAS-ZETCQYMHSA-N 194.234 0.356 10 20 ACCD [N-]=[N+]=N[C@H]1CCOC[C@@H]1N 218394591 FDCYPHLZIOZKQV-WHFBIAKZSA-N 142.162 0.413 10 20 ACCD CNC(=N)NCc1ccccc1O 307514306 GKDNUEFRNFYLCH-UHFFFAOYSA-N 179.223 0.636 10 20 ACCD C[C@@H](NCc1ccccc1O)C(N)=O 35793783 WUIFQSATKSZCCQ-SSDOTTSWSA-N 194.234 0.356 10 20 ACCD Oc1ccccc1CN1CC[C@@H](O)C1 38538708 WZXQMRGUGLMTAK-SNVBAGLBSA-N 193.246 0.959 10 20 ACCD NCCC(=O)NCc1ccccc1O 83342094 OVPZGEMTUFPBBK-UHFFFAOYSA-N 194.234 0.357 10 20 ACCD [N-]=[N+]=NCC(=O)N1C[C@H]2COC[C@H]2C1 409433417 YFSIULXAPMHZKT-KNVOCYPGSA-N 196.210 0.402 10 20 ACCD Nc1ccc(CN2CC[C@@H](N)C2)cc1 225967397 NPGHFPNTSTZELE-LLVKDONJSA-N 191.278 0.802 10 20 ACCD [N-]=[N+]=NCC1OCCO1 146656137 HHVWNZCCNWEGRZ-UHFFFAOYSA-N 129.119 0.670 10 20 ACCD [N-]=[N+]=NCC(=O)N1C[C@H]2C[C@H]1CO2 409433467 YIOFBDPEUAASNU-NTSWFWBYSA-N 182.183 0.296 10 20 ACCD COc1cc([C@H](N)CO)cc(O)c1O 72197866 XSYVCRXYJCUUQZ-ZCFIWIBFSA-N 199.206 0.099 10 20 ACCD COCC(=O)N(C)c1ccc(N)cc1 37251349 HIVWIEDJMNQQRT-UHFFFAOYSA-N 194.234 0.878 10 20 ACCD [N-]=[N+]=N[C@@H]1CCS(=O)(=O)C1 42391430 PBARYXXGXPLGSE-SCSAIBSYSA-N 161.186 0.484 10 20 ACCD [N-]=[N+]=NCC(=O)N1C[C@@H]2C[C@H](C1)C2O 409429146 OBKPUAUOKCQSLE-OFWQXNEASA-N 196.210 0.136 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC[C@@H](O)C1 409424905 DKPCDAHGEOJTIN-ZCFIWIBFSA-N 184.199 0.280 10 20 ACCD COC1CN(CCN=[N+]=[N-])C1 307725142 BJNBMCAOYCFSHL-UHFFFAOYSA-N 156.189 0.627 10 20 ACCD N[C@@H](CO)c1ccccc1O 39059427 XVLDHRZCNVRYIN-ZETCQYMHSA-N 153.181 0.384 10 20 ACCD CC(=O)C(=O)COC(=O)c1ccco1 808488620 LEEPPQNDNFDWLE-UHFFFAOYSA-N 196.158 0.595 10 20 ACCD [N-]=[N+]=NCC(=O)NC[C@H]1CCCO1 100673054 GCHALVOKMAAWAK-ZCFIWIBFSA-N 184.199 0.592 10 20 ACCD Oc1ccccc1CN1CC[C@H](O)C1 38538705 WZXQMRGUGLMTAK-JTQLQIEISA-N 193.246 0.959 10 20 ACCD C[C@@H](O)[C@@H](N)c1ccccc1O 95658895 JXKFVSLCCUBGIK-HZGVNTEJSA-N 167.208 0.773 10 20 ACCD CCCc1nccn1CC(=O)C(C)=O 808025692 OPSVYHOWGAGUCH-UHFFFAOYSA-N 194.234 0.994 10 20 ACCD O=C1CCC[C@@H](C(=O)C(F)F)C1=O 122650062 VYDSPYJXMCXNGF-SCSAIBSYSA-N 190.145 0.759 10 20 ACCD CC(=O)C(=O)CSc1nccn1C 388798919 NZUCEWJDUUFMRK-UHFFFAOYSA-N 198.247 0.670 10 20 ACCD CCONC(=O)Cc1ccc(N)cc1 83116739 ZIUZINKQWIIHKL-UHFFFAOYSA-N 194.234 0.879 10 20 ACCD CCc1nc(C)cn1CC(=O)C(C)=O 865393324 QYGDVCNBOYDZQP-UHFFFAOYSA-N 194.234 0.912 10 20 ACCD COc1cccc(CNC(N)=O)c1O 742710122 LRIYEIWQKKINNC-UHFFFAOYSA-N 196.206 0.569 10 20 ACCD COc1ccc(N(C)CC(N)=O)cc1 49971232 NGBQZMSAVJYVND-UHFFFAOYSA-N 194.234 0.617 10 20 ACCD O=C1CCC[C@H]([C@@H]2CCCN2)C1=O 164513783 SSORHFKEYZJWNN-SFYZADRCSA-N 181.235 0.677 10 20 ACCD NC1CN(Cc2ccccc2O)C1 83634539 HMPGFXCTMVVLNK-UHFFFAOYSA-N 178.235 0.535 10 20 ACCD Nc1ccc(N2CC(CO)C2)cc1 409428302 MDHGFOPLVFXZPS-UHFFFAOYSA-N 178.235 0.697 10 20 ACCD O=C1NC(=O)[C@H](c2ccccc2O)N1 6095458 GKVUJUZMDDAMHS-ZETCQYMHSA-N 192.174 0.273 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)[C@H]2CCOC2)C1 409423991 SGTUSZULDOIEDN-LURJTMIESA-N 196.210 0.544 10 20 ACCD COC(=O)CN(C)c1ccc(N)cc1 20374442 HBHNRDXIBRALAJ-UHFFFAOYSA-N 194.234 0.878 10 20 ACCD Oc1ccccc1CN[C@H]1CCNC1 162940651 TXLXXXUMVUNKJW-JTQLQIEISA-N 192.262 0.844 10 20 ACCD CNC(=O)CN(C)c1ccc(N)cc1 20374397 OKJTZLKAUDUBLQ-UHFFFAOYSA-N 193.250 0.451 10 20 ACCD CNC(=O)c1cc(O)cs1 307531508 XIPMDSBCTCNCPX-UHFFFAOYSA-N 157.194 0.813 10 20 ACCD C[C@@H](O)CNCc1ccccc1O 35602072 WPHPNIOPTDROOY-MRVPVSSYSA-N 181.235 0.863 10 20 ACCD NC(=O)c1cc(Cl)c(O)nc1O 75578860 AMYFOJLIWDFAFA-UHFFFAOYSA-N 188.570 0.245 10 20 ACCD CC[C@H](N)C(=O)Nc1ccc(N)cc1 306917223 XVKIRQRPWFKKLH-VIFPVBQESA-N 193.250 0.945 10 20 ACCD O=Cc1c(C(=O)O)cc(O)c(O)c1O 224537615 HTSMVAGZIZZMGA-UHFFFAOYSA-N 198.130 0.314 10 20 ACCD CCOC(=O)c1cc(O)c(O)cc1N 2048528859 ITLDVLKAULYWLE-UHFFFAOYSA-N 197.190 0.857 10 20 ACCD COc1ccc(CNC(N)=O)c(O)c1 794924403 SQBFXGQDKPAUGV-UHFFFAOYSA-N 196.206 0.569 10 20 ACCD N[C@H]1C[C@H](NCc2ccccc2O)C1 906508671 UGLLTXSSWXPYIO-MGCOHNPYSA-N 192.262 0.972 10 20 ACCD [N-]=[N+]=NCCn1nccn1 1537961663 GSQMPRWOYGWMRH-UHFFFAOYSA-N 138.134 0.588 10 20 ACCD CNC[C@@H](C)NCc1ccc(N)cc1 1334774239 HDXJIJQTSCFPFT-SECBINFHSA-N 193.294 0.966 10 20 ACCD C[C@@H](CN)NCc1ccccc1O 235139323 WZVBBNBHGPKUGO-QMMMGPOBSA-N 180.251 0.829 10 20 ACCD CCNC(=O)CN1CC(N=[N+]=[N-])C1 409422957 JZDYIRHPDHBABN-UHFFFAOYSA-N 183.215 0.117 10 20 ACCD C[C@H](O)[C@H](N)c1cc(F)ccc1O 95674670 QKBGBCAUPWUFND-CDUCUWFYSA-N 185.198 0.912 10 20 ACCD Nc1ccc(CN2CC[C@H](O)C2)cc1 61709559 YOUQFGVYWUQFDX-NSHDSACASA-N 192.262 0.835 10 20 ACCD NC(=O)Cn1ccc2cc(N)ccc21 36949174 YAUSZYUMQBJAPW-UHFFFAOYSA-N 189.218 0.709 10 20 ACCD C[C@@H]1CN(CCN=[N+]=[N-])CC[C@H]1O 253172671 BOEKZCOHAOPQNA-HTQZYQBOSA-N 184.243 0.999 10 20 ACCD C[C@@H]1CN(C(=O)CN=[N+]=[N-])CC[C@H]1O 409427852 FPFLPKBCXXXSLC-RNFRBKRXSA-N 198.226 0.526 10 20 ACCD COc1cccc(CNC(=N)N)c1O 849036845 AKLZNSRSJIXTCH-UHFFFAOYSA-N 195.222 0.384 10 20 ACCD CC(=O)C(=O)C[C@H]1CCCCN1 164513392 XVDZDVFNCGLNPZ-MRVPVSSYSA-N 169.224 0.677 10 20 ACCD Cc1ccc([C@@H](N)CO)c(O)c1 72197279 UEQGTBNKGUXJPW-QMMMGPOBSA-N 167.208 0.693 10 20 ACCD CC(=O)C(=O)CSc1cnccn1 308163833 WQCWEOISALOUJR-UHFFFAOYSA-N 196.231 0.727 10 20 ACCD OC[C@@H](O)CSc1nccs1 86659956 RWBOVAWISBJEJZ-RXMQYKEDSA-N 191.277 0.588 10 20 ACCD O=C(CO)c1ccc(O)c(O)c1 14774625 LNZSKFZHPHBUDI-UHFFFAOYSA-N 168.148 0.273 10 20 ACCD CN(CC(=O)O)c1ccc(N)cc1 51040270 BBHZXMXCSXNSCJ-UHFFFAOYSA-N 180.207 0.790 10 20 ACCD CN(Cc1ccccc1O)C(=O)CO 765493801 ZPYWHVMBDGKPRT-UHFFFAOYSA-N 195.218 0.343 10 20 ACCD NC(=O)CSc1nccs1 48193451 KKTAAZMITVTHMP-UHFFFAOYSA-N 174.250 0.721 10 20 ACCD CON(C)C(=O)c1cccc(O)c1O 163280730 VMBGTKDYIPWHGQ-UHFFFAOYSA-N 197.190 0.731 10 20 ACCD CS(=O)(=O)Oc1ccc(N)cc1 74405020 PKFRDPWUJPMCRJ-UHFFFAOYSA-N 187.220 0.607 10 20 ACCD O=C1CCC[C@H](C(=O)C2CC2)C1=O 122646417 IRSBIGIFMYVAHD-SSDOTTSWSA-N 180.203 0.904 10 20 ACCD N[C@@H](CO)c1cc(F)cc(F)c1O 72197633 NSKPQRXMWXSBBM-ZETCQYMHSA-N 189.161 0.663 10 20 ACCD [N-]=[N+]=NCCn1nccc1N 409441424 XSAOOAYLUWFOLT-UHFFFAOYSA-N 152.161 0.776 10 20 ACCD [N-]=[N+]=NC/C=C/C(=O)O 220608908 VMMDVOYUOOUXBV-OWOJBTEDSA-N 127.103 0.938 10 20 ACCD CN(CC(N)=O)Cc1ccc(N)cc1 37115720 GXZTXOBCEAIHKV-UHFFFAOYSA-N 193.250 0.186 10 20 ACCD C[C@@H](O)[C@H](N)c1cccc(F)c1O 95674653 MLCWAEBPINQEFA-XRGYYRRGSA-N 185.198 0.912 10 20 ACCD NC1(CNCc2ccccc2O)CC1 904449292 IIZMZVYGMZJPAI-UHFFFAOYSA-N 192.262 0.973 10 20 ACCD COc1ccc(O)c(CNCCO)c1 20596846 NKRGADDLGLLFLQ-UHFFFAOYSA-N 197.234 0.483 10 20 ACCD CN(C)C(=O)c1c(F)ccc(O)c1O 790070641 XMNJAFWGQZASGW-UHFFFAOYSA-N 199.181 0.939 10 20 ACCD O=C(c1cccc(O)c1O)N1CCC1 306220348 HVQVMMWGMKIQSG-UHFFFAOYSA-N 193.202 0.944 10 20 ACCD CC(=O)C(=O)CS[C@H](C)C(=O)O 1588486441 YHMYUWXROFEUFB-RXMQYKEDSA-N 190.220 0.351 10 20 ACCD CN(C)c1ccc([C@@](C)(N)CO)cc1 38124413 LYKRPGBPQMGSFN-NSHDSACASA-N 194.278 0.919 10 20 ACCD CO[C@@H]1CCN(C(=O)CN=[N+]=[N-])C1 409426081 HLUMPWAHUIYRSC-ZCFIWIBFSA-N 184.199 0.544 10 20 ACCD CC(=O)C(=O)CSCCC(=O)O 1588486066 POCPZRYQPUASHU-UHFFFAOYSA-N 190.220 0.352 10 20 ACCD C[C@H]1CN(C(=O)CN=[N+]=[N-])CC[C@H]1O 409427850 FPFLPKBCXXXSLC-NKWVEPMBSA-N 198.226 0.526 10 20 ACCD COc1cc(CC(=O)O)cc(O)c1O 201558854 RGHMGZLQQFVXDM-UHFFFAOYSA-N 198.174 0.734 10 20 ACCD C[C@@H](N)C(=O)NCc1ccccc1O 102290400 JYUHFHPZKQKVAS-SSDOTTSWSA-N 194.234 0.356 10 20 ACCD CC(=O)C(=O)CSc1ncccn1 308272902 SXNNSFGBPVIGDY-UHFFFAOYSA-N 196.231 0.727 10 20 ACCD C[C@H]1CN(CCN=[N+]=[N-])C[C@@H]1CO 409428011 LTXSWNKDXABEOL-JGVFFNPUSA-N 184.243 0.857 10 20 ACCD Nc1ccc(C[C@H](N)CO)cc1 66325608 GMTRSZXBNADBMK-VIFPVBQESA-N 166.224 0.131 10 20 ACCD in-vitro NCCc1cc(O)c(O)cc1[N+](=O)[O-] 13586822 GAWRYVJRKWPEFX-UHFFFAOYSA-N 198.178 0.507 10 20 ACCD Cc1cccc(CNCCO)c1O 83340562 QOIZCISNZSUXGJ-UHFFFAOYSA-N 181.235 0.783 10 20 ACCD CN(CC(N)=O)Cc1ccccc1O 113750530 XVMNSGMSTIUERD-UHFFFAOYSA-N 194.234 0.309 10 20 ACCD C[C@H](CN)NCc1cc(F)ccc1O 841059778 CARIKEQFOOOFCM-SSDOTTSWSA-N 198.241 0.968 10 20 ACCD CC1(O)CN(Cc2ccccc2O)C1 877580478 DNUFMOYFDXDUJW-UHFFFAOYSA-N 193.246 0.959 10 20 ACCD CNCC(=O)NCc1ccc(N)cc1 169809514 XSBVJWUDCVUQTP-UHFFFAOYSA-N 193.250 0.104 10 20 ACCD OC[C@H](O)CSc1nccs1 86659957 RWBOVAWISBJEJZ-YFKPBYRVSA-N 191.277 0.588 10 20 ACCD C[C@H](O)C(=O)NCc1ccccc1O 787131534 NXKZLPXFRIODPF-ZETCQYMHSA-N 195.218 0.389 10 20 ACCD C[C@H](CN)C(=O)Nc1ccc(N)cc1 306926535 QGIYQOUUGAJOOU-SSDOTTSWSA-N 193.250 0.802 10 20 ACCD OCCNCc1cc(F)ccc1O 83341013 FQDNXMMQMQYYBJ-UHFFFAOYSA-N 185.198 0.613 10 20 ACCD CN(CCN)Cc1cc(F)ccc1O 234278017 SYUJGYZTDGRZIF-UHFFFAOYSA-N 198.241 0.922 10 20 ACCD NCCN[C@@H]1CCc2cccc(O)c21 306350227 NVXDRBHAELXHPX-SECBINFHSA-N 192.262 0.928 10 20 ACCD COCCN1CC(N=[N+]=[N-])C1 409422557 FYUMXEHXRPGIAU-UHFFFAOYSA-N 156.189 0.627 10 20 ACCD C[C@@H]1CN(C(=O)CN=[N+]=[N-])CC[C@@H]1O 409427854 FPFLPKBCXXXSLC-RQJHMYQMSA-N 198.226 0.526 10 20 ACCD C[C@@H](O)[C@@H](N)c1cc(F)ccc1O 95663339 QKBGBCAUPWUFND-MLUIRONXSA-N 185.198 0.912 10 20 ACCD CCCNC(=O)CN1CC(N=[N+]=[N-])C1 409422088 AMLRVJDDYLOBHA-UHFFFAOYSA-N 197.242 0.507 10 20 ACCD CC(=O)C(=O)COC(=O)[C@H]1C[C@H]1C 308287303 ZNAQRIOGSSOIML-VDTYLAMSSA-N 184.191 0.344 10 20 ACCD Nc1ccc(CN[C@H]2C[C@H](N)C2)cc1 1334798310 VNVUXYHTRIPAFU-XYPYZODXSA-N 191.278 0.848 10 20 ACCD COCC(=O)[C@@H]1CCCC(=O)C1=O 122645469 HVOZAILTVZZVDG-LURJTMIESA-N 184.191 0.140 10 20 ACCD C[C@@H](CN)NCc1ccc(N)cc1 1356083109 KCKNGQVGCZMDLA-QMMMGPOBSA-N 179.267 0.706 10 20 ACCD NOCCCNCc1ccc(N)cc1 1334774449 HZCLGUUUAQDSSQ-UHFFFAOYSA-N 195.266 0.639 10 20 ACCD Oc1cc(F)cc(O)n1 306962274 FYMYOZVEFWQCST-UHFFFAOYSA-N 129.090 0.632 10 20 ACCD CC(=O)C(=O)CC(=O)C1CC1 122638735 VEMCKUVUFLIOGG-UHFFFAOYSA-N 154.165 0.514 10 20 ACCD O=C1Nc2cc(O)c(O)cc2C1=O 32628169 KMFFETWPWLONNU-UHFFFAOYSA-N 179.131 0.233 10 20 ACCD [N-]=[N+]=N[C@H]1COCC1=O 238607674 NXAOGWLMUBLCQI-VKHMYHEASA-N 127.103 0.265 10 20 ACCD C[C@H](O)[C@@H](N)c1ccccc1O 95658894 JXKFVSLCCUBGIK-IMTBSYHQSA-N 167.208 0.773 10 20 ACCD CC(=O)C(=O)C[C@@H]1NC[C@@H]2CCC[C@H]12 229137683 XZOYUWGJWBGMAH-GUBZILKMSA-N 195.262 0.923 10 20 ACCD CC(=O)C(=O)C[C@H]1CCCN1 164513111 FCNJZRDXAQJIBW-SSDOTTSWSA-N 155.197 0.287 10 20 ACCD C[C@@H](O)CNCc1ccc(N)cc1 83340500 WLSUUVITQLNWSR-MRVPVSSYSA-N 180.251 0.739 10 20 ACCD CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1C 308287301 ZNAQRIOGSSOIML-IYSWYEEDSA-N 184.191 0.344 10 20 ACCD Oc1ccccc1CN1CC(O)C1 306163386 HNBCPCJIIHZLGC-UHFFFAOYSA-N 179.219 0.569 10 20 ACCD CC(=O)C(=O)COC(=O)C1CCCC1 808488656 MTMHYSFNSWVUCS-UHFFFAOYSA-N 198.218 0.878 10 20 ACCD CC(=O)C(=O)CSc1ncco1 307959474 JELVXXWJEUVXIX-UHFFFAOYSA-N 185.204 0.925 10 20 ACCD NCCC(=O)NCc1ccc(N)cc1 83341931 SHQJCHGIQGEELI-UHFFFAOYSA-N 193.250 0.234 10 20 ACCD [N-]=[N+]=NCCN1C[C@@H]2COC[C@H]2C1 409424014 AZGYYUAENDCWDC-HTQZYQBOSA-N 182.227 0.875 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC[C@@H](CO)C1 409425471 FZYOVXDIRMUSMJ-SSDOTTSWSA-N 198.226 0.528 10 20 ACCD C[C@H](O)[C@@H](N)c1cccc(F)c1O 95663302 MLCWAEBPINQEFA-YLWLKBPMSA-N 185.198 0.912 10 20 ACCD CCc1nccn1CC(=O)C(C)=O 379405686 URHTYIYGTXDYIU-UHFFFAOYSA-N 180.207 0.604 10 20 ACCD CC(=O)C(=O)C[C@H]1C[C@H](C)CCN1 130375814 GMZIIWWEHZUOKE-VXNVDRBHSA-N 183.251 0.923 10 20 ACCD CC(=O)C(=O)C[C@H]1C[C@@H](C)CCN1 130376029 GMZIIWWEHZUOKE-IONNQARKSA-N 183.251 0.923 10 20 ACCD C[C@@H](N)C(=O)Nc1ccc(N)cc1 169809105 XBFGADXAJLGMKD-ZCFIWIBFSA-N 179.223 0.555 10 20 ACCD C[C@H](N)CC(=O)Nc1ccc(N)cc1 306291185 QQFIUZMCWVGPKX-ZETCQYMHSA-N 193.250 0.945 10 20 ACCD CONC(=O)c1cccc(O)c1O 146731199 WFIBAQHWYRFXGL-UHFFFAOYSA-N 183.163 0.389 10 20 ACCD [N-]=[N+]=NCC(=O)NC[C@@H]1CCCO1 100673057 GCHALVOKMAAWAK-LURJTMIESA-N 184.199 0.592 10 20 ACCD CNC(=O)C(F)(F)N=[N+]=[N-] 1898243290 XDQIVGQJFZSOEA-UHFFFAOYSA-N 150.088 0.636 10 20 ACCD CC(=O)C(=O)CSc1ncc[nH]1 379321716 DVXLKTFMXSYNIT-UHFFFAOYSA-N 184.220 0.660 10 20 ACCD CCN1CCN(C(=O)CN=[N+]=[N-])CC1 229011885 CULHBVRSOKSZCD-UHFFFAOYSA-N 197.242 0.461 10 20 ACCD C[C@@H](NC(=O)CN)c1ccccc1O 877255225 APDCKGZFDSCVHN-SSDOTTSWSA-N 194.234 0.528 10 20 ACCD N[C@@H](CO)c1cc([N+](=O)[O-])ccc1O 72197843 RWTUNZFDHXPNIL-ZETCQYMHSA-N 198.178 0.293 10 20 ACCD NC(=O)c1c(F)ccc(O)c1O 238590085 MJSYOYBALRTMIX-UHFFFAOYSA-N 171.127 0.336 10 20 ACCD CC(=O)C(=O)COC(=O)C(C)C 307950242 NNLYWEAQHKTDEL-UHFFFAOYSA-N 172.180 0.344 10 20 ACCD CNC(=O)CSc1nccs1 307696139 CLXDPNIBXXMKBX-UHFFFAOYSA-N 188.277 0.981 10 20 ACCD [N-]=[N+]=NC[C@@H]1CNC(=O)C1(F)F 1898199669 WFGLXSQLPKZJNB-VKHMYHEASA-N 176.126 0.678 10 20 ACCD O=C(O)c1c(O)ccc(O)c1O 6091752 ADUSGJRADQMJGN-UHFFFAOYSA-N 170.120 0.502 10 20 ACCD CN(Cc1ccccc1O)C(=O)CN 37823734 WMGIGJVKHIGSNF-UHFFFAOYSA-N 194.234 0.309 10 20 ACCD CC(=O)C(=O)CS[C@@H](C)C(=O)O 1588486442 YHMYUWXROFEUFB-YFKPBYRVSA-N 190.220 0.351 10 20 ACCD C[C@@H](CO)NCc1ccccc1O 35603495 HXZOFPZPMDWGGD-QMMMGPOBSA-N 181.235 0.863 10 20 ACCD Cc1ccc(O)c(CNC(=O)CO)c1 862757979 KVRNZSOREFMBJQ-UHFFFAOYSA-N 195.218 0.309 10 20 ACCD O=Cc1c(C(=O)O)ccc(O)c1O 104681885 XVZYAHCEQHPKQL-UHFFFAOYSA-N 182.131 0.609 10 20 ACCD Nc1ccc(CNCC2(N)CC2)cc1 1120371577 JULRWFVGJQHSHB-UHFFFAOYSA-N 191.278 0.850 10 20 ACCD [N-]=[N+]=NCCN1C[C@@H]2C[C@H](C1)C2O 409431617 SSEUZLIFRNWVQD-DHBOJHSNSA-N 182.227 0.609 10 20 ACCD C[C@H](O)CNCc1ccccc1O 35602071 WPHPNIOPTDROOY-QMMMGPOBSA-N 181.235 0.863 10 20 ACCD OCCN[C@@H]1CCc2cccc(O)c21 306176163 NMRNUZDAKMMXCA-SECBINFHSA-N 193.246 0.961 10 20 ACCD C[C@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CO 409425006 DRJSQEUQTHXEPL-BQBZGAKWSA-N 198.226 0.384 10 20 ACCD [N-]=[N+]=NCC(=O)N1C[C@@H]2COC[C@H]2C1 409433419 YFSIULXAPMHZKT-RNFRBKRXSA-N 196.210 0.402 10 20 ACCD [N-]=[N+]=NC(F)(F)C(N)=O 1857782833 ISQQWTYWSPQUSN-UHFFFAOYSA-N 136.061 0.375 10 20 ACCD CC(=O)C(=O)C[C@@H]1C[C@H](C)CCN1 130375408 GMZIIWWEHZUOKE-APPZFPTMSA-N 183.251 0.923 10 20 ACCD CNC(=S)NCc1ccccc1O 306456459 SKMJJHMVJQCWNN-UHFFFAOYSA-N 196.275 0.986 10 20 ACCD C[C@@H](O)[C@@H]1CCCN1C(=O)CN=[N+]=[N-] 409427463 KKUVBIIYLCRYKT-RQJHMYQMSA-N 198.226 0.669 10 20 ACCD Cc1cc(C)c(N)nc1N 85221857 OMIAIHIVQFDRJK-UHFFFAOYSA-N 137.186 0.863 10 20 ACCD [N-]=[N+]=NCCN1C[C@H]2COC[C@@H]2C1 409424023 AZGYYUAENDCWDC-YUMQZZPRSA-N 182.227 0.875 10 20 ACCD CCC(=O)N1CC(N=[N+]=[N-])C1 409424598 WTAVGZUPYMNXOA-UHFFFAOYSA-N 154.173 0.918 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCCC[C@@H]1CO 409434106 ZZBDOEMURWIIBT-SSDOTTSWSA-N 198.226 0.670 10 20 ACCD N[C@H](CF)c1c(O)cc(O)cc1O 238683570 BNIINMWRJJCQFM-RXMQYKEDSA-N 187.170 0.773 10 20 ACCD [N-]=[N+]=N[C@@H]1COCC1=O 238607700 NXAOGWLMUBLCQI-GSVOUGTGSA-N 127.103 0.265 10 20 ACCD COC(=O)/C(C)=C/O 103846460 VFTATQXKBPNQQF-ONEGZZNKSA-N 116.116 0.621 10 20 ACCD CC(=O)N1CC(N=[N+]=[N-])C1 409424718 XTDCWPIXNSSIBR-UHFFFAOYSA-N 140.146 0.527 10 20 ACCD COC[C@H]1CCN(C(=O)CN=[N+]=[N-])C1 409432876 WUFKATSGIDKGNP-ZETCQYMHSA-N 198.226 0.792 10 20 ACCD C[C@@H](O)[C@H]1CCCN1C(=O)CN=[N+]=[N-] 409427461 KKUVBIIYLCRYKT-RNFRBKRXSA-N 198.226 0.669 10 20 ACCD COC1CCN(C(=O)CN=[N+]=[N-])CC1 409430427 QPLTZVXLNLCUND-UHFFFAOYSA-N 198.226 0.934 10 20 ACCD O=C1CCC[C@H]([C@H]2CCCN2)C1=O 164514033 SSORHFKEYZJWNN-HTQZYQBOSA-N 181.235 0.677 10 20 ACCD O=C(NC1CC1)c1cccc(O)c1O 163266970 PPTZKXRVKKPPJS-UHFFFAOYSA-N 193.202 0.990 10 20 ACCD CC(=O)C(=O)COc1ccc(F)nc1 808031919 QRKOUAYBUMJCRI-UHFFFAOYSA-N 197.165 0.758 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)[C@@H]2CCCO2)C1 409422060 AETAABZHZIAZRN-ZETCQYMHSA-N 196.210 0.687 10 20 ACCD C[C@H]1CN(C(=O)CN=[N+]=[N-])CC[C@@H]1O 409427846 FPFLPKBCXXXSLC-BQBZGAKWSA-N 198.226 0.526 10 20 ACCD [N-]=[N+]=NCCN1CCCC1=O 42416033 KVQUZOAPFHVUFZ-UHFFFAOYSA-N 154.173 0.919 10 20 ACCD C[C@H](CN)NCc1ccc(N)cc1 1334753952 KCKNGQVGCZMDLA-MRVPVSSYSA-N 179.267 0.706 10 20 ACCD NC(=O)[C@H]1CCN1c1ccc(N)cc1 167374826 QLIPQNLRDDAXOU-SECBINFHSA-N 191.234 0.333 10 20 ACCD CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1C 308287299 ZNAQRIOGSSOIML-CAHLUQPWSA-N 184.191 0.344 10 20 ACCD O=C(O)C(=O)NCc1ccccc1O 238668489 ZKGQLQQDZZWZCY-UHFFFAOYSA-N 195.174 0.093 10 20 ACCD [N-]=[N+]=NC[C@@H]1CCNCCO1 1898242910 JEBHBHWAPRNWAQ-LURJTMIESA-N 156.189 0.675 10 20 ACCD CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1C 308287300 ZNAQRIOGSSOIML-FSPLSTOPSA-N 184.191 0.344 10 20 ACCD CN(C(=O)CN=[N+]=[N-])C1CCOCC1 409435449 USMFCRIYZYYITE-UHFFFAOYSA-N 198.226 0.934 10 20 ACCD CNC[C@H](C)NCc1ccc(N)cc1 1334774241 HDXJIJQTSCFPFT-VIFPVBQESA-N 193.294 0.966 10 20 ACCD C[C@@H]1CN(C(=O)CN=[N+]=[N-])C[C@H]1CO 409425011 DRJSQEUQTHXEPL-RQJHMYQMSA-N 198.226 0.384 10 20 ACCD Cc1ccc(O)c([C@H](N)CO)c1 72197276 RNLILSGLASWGSV-MRVPVSSYSA-N 167.208 0.693 10 20 ACCD O=C1CCC[C@@H](C(=O)C2CC2)C1=O 122646625 IRSBIGIFMYVAHD-ZETCQYMHSA-N 180.203 0.904 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCCC[C@H]1CO 409434107 ZZBDOEMURWIIBT-ZETCQYMHSA-N 198.226 0.670 10 20 ACCD CCOC(=O)C(=O)CN=[N+]=[N-] 1537962127 WLYSGXLZJWFYJN-UHFFFAOYSA-N 157.129 0.429 10 20 ACCD CC(=O)C(=O)COC(=O)C1CC1 307966174 RHONTYFEGKZRRM-UHFFFAOYSA-N 170.164 0.098 10 20 ACCD N[C@H]1CCN(Cc2ccccc2O)C1 38538703 RWIMLWWHVIJHRA-JTQLQIEISA-N 192.262 0.925 10 20 ACCD C[C@H](N)C(=O)Nc1ccc(N)cc1 145543854 XBFGADXAJLGMKD-LURJTMIESA-N 179.223 0.555 10 20 ACCD N[C@@H](CO)c1cc(O)ccc1O 72197299 DXOPCURXIBLUGV-ZETCQYMHSA-N 169.180 0.090 10 20 ACCD CN(CC(=O)O)Cc1ccccc1O 59947927 FQXQINFYEKNMQS-UHFFFAOYSA-N 195.218 0.909 10 20 ACCD CN(C)C(=O)c1cccc(O)c1O 39238502 WJTJFWHHNYHKMI-UHFFFAOYSA-N 181.191 0.800 10 20 ACCD NCCNCc1cccc(F)c1O 160935276 FTDSBISCDGKMJG-UHFFFAOYSA-N 184.214 0.580 10 20 ACCD C[C@@H](O)[C@H](N)c1ccccc1O 95672114 JXKFVSLCCUBGIK-MUWHJKNJSA-N 167.208 0.773 10 20 ACCD CNCCNCc1ccccc1O 238342372 WJFAELMFWVJWPA-UHFFFAOYSA-N 180.251 0.701 10 20 ACCD C[C@H](O)[C@@H]1CCN(C(=O)CN=[N+]=[N-])C1 409433448 YHODNWKXIIFVEB-NKWVEPMBSA-N 198.226 0.526 10 20 ACCD CONC(=O)c1cc(O)cs1 306787562 MVWIEEHTXCUGDV-UHFFFAOYSA-N 173.193 0.745 10 20 ACCD CNCCC(=O)Nc1ccc(N)cc1 306289997 OPMAMQFLEDTALA-UHFFFAOYSA-N 193.250 0.817 10 20 ACCD [N-]=[N+]=NCCN1C[C@H]2C[C@H]1CO2 307038226 FRLRNDDHLIOQPN-NKWVEPMBSA-N 168.200 0.770 10 20 ACCD CN1C(=O)C(=O)C(=O)c2ccccc21 34588630 YSOGCTYJXNGLQS-UHFFFAOYSA-N 189.170 0.415 10 20 ACCD CC(=O)C(=O)COC(=O)CC(C)C 308147926 MRWHDHSOVUUENB-UHFFFAOYSA-N 186.207 0.734 10 20 ACCD N[C@@H](CO)c1cccc(O)c1O 72197307 UCEYGZDCHHZQAJ-LURJTMIESA-N 169.180 0.090 10 20 ACCD NC(=O)c1cc(O)cs1 113237794 PLYOQVWDJSDLOV-UHFFFAOYSA-N 143.167 0.553 10 20 ACCD Nc1ccc(CNC2CC(N)C2)cc1 1336326417 VNVUXYHTRIPAFU-UHFFFAOYSA-N 191.278 0.848 10 20 ACCD OCCN[C@H]1CCc2cccc(O)c21 306176164 NMRNUZDAKMMXCA-VIFPVBQESA-N 193.246 0.961 10 20 ACCD O=C(O)CNCc1ccccc1O 19040 FZQZIWPHRQKFPS-UHFFFAOYSA-N 181.191 0.566 10 20 ACCD [N-]=[N+]=NCC(=O)N1CCC[C@@H]1CO 409430621 QXPOLRFINKTGNK-ZCFIWIBFSA-N 184.199 0.280 10 20 ACCD CN(CCO)Cc1cc(F)ccc1O 778988253 CEFGBCVKIGEGHW-UHFFFAOYSA-N 199.225 0.955 10 20 ACCD [N-]=[N+]=NC1CN(C(=O)c2cnc[nH]2)C1 409422652 HEBFCLDZXZRKOW-UHFFFAOYSA-N 192.182 0.544 10 20 ACCD COc1ccc(O)c(O)c1C(=O)O 14775636 UYIMUZPVXLUSDF-UHFFFAOYSA-N 184.147 0.805 10 20 ACCD COC[C@@H]1CCCN1C(=O)CN=[N+]=[N-] 409426699 INRQTIVJIDRIRE-ZETCQYMHSA-N 198.226 0.934 10 20 ACCD CC(=O)C(=O)C[C@@H]1NC[C@H]2CCC[C@H]21 299899231 XZOYUWGJWBGMAH-BBBLOLIVSA-N 195.262 0.923 10 20 ACCD C[C@H](CO)NCc1ccccc1O 35603497 HXZOFPZPMDWGGD-MRVPVSSYSA-N 181.235 0.863 10 20 ACCD [N-]=[N+]=NCCn1ccnn1 575469029 QRZCUTVVIKKVLZ-UHFFFAOYSA-N 138.134 0.588 10 20 ACCD NCCNCc1ccc2c(c1)CCO2 37713049 WKRSDJWTPIFUBD-UHFFFAOYSA-N 192.262 0.670 10 20 ACCD