smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)[C@H](Cl)P(=O)(O)O 32091813 PMGINNPAPWFWMT-PVQJCKRUSA-N 174.476 -0.186 50 40 ABGB NC(=S)NNC(=O)c1cccnc1 6536469 ZJJFNENRLBGLDQ-UHFFFAOYSA-N 196.235 -0.440 50 40 ABGB CCc1ncc(C(=O)NN)cn1 223456339 PVHKULBNRVGXFN-UHFFFAOYSA-N 166.184 -0.358 50 40 ABGB NC(=O)c1ccc(B(O)O)c(Cl)c1 953071596 YLYTUWLKUNYSEZ-UHFFFAOYSA-N 199.402 -0.881 50 40 ABGB CCNC(=O)NNC(C)=O 142046120 OLTIQIAVGDCTRY-UHFFFAOYSA-N 145.162 -0.643 50 40 ABGB O=C(NN=C1NCCN1)c1ccco1 1645663 YNJVHUJZWMRSBX-UHFFFAOYSA-N 194.194 -0.527 50 40 ABGB C[C@H]1CN(CC(=O)NN)C[C@@H](C)O1 22538848 LGUXMNHBSKXTAR-KNVOCYPGSA-N 187.243 -0.915 50 40 ABGB NNC(=O)c1cc([N+](=O)[O-])cnc1N 223453246 JEJWQRNUIMVBIH-UHFFFAOYSA-N 197.154 -0.825 50 40 ABGB CN(C)C(=O)NNC(=O)N(C)C 1649176 RAUKYARZDOSMOO-UHFFFAOYSA-N 174.204 -0.556 50 40 ABGB N#Cc1cc(C(=O)NN)ccn1 6584884 PPDYFTPCRSZNRD-UHFFFAOYSA-N 162.152 -0.443 50 40 ABGB CC(C)(C)Oc1ncc(B(O)O)cn1 198099607 VDQNRPQZSBKXAR-UHFFFAOYSA-N 196.015 -0.666 50 40 ABGB [N-]=[N+]=NCC(=O)NN 108412375 LCKIANNOFDKHMP-UHFFFAOYSA-N 115.096 -0.713 50 40 ABGB O=C1C[C@H](Br)C(=O)N1 2007463 JNETYVLEGPSOFY-REOHCLBHSA-N 177.985 -0.204 50 40 ABGB Cn1nc(C(=O)NN)cc1C1CC1 725328110 ZTWVZBVRKFAJRC-UHFFFAOYSA-N 180.211 -0.099 50 40 ABGB N#C/C(=C/N1CCOCC1)C(N)=O 493086 LLKCXVWITGBXLG-SREVYHEPSA-N 181.195 -0.789 50 40 ABGB OCC(Cl)CO 2040448 DYPJJAAKPQKWTM-UHFFFAOYSA-N 110.540 -0.422 50 40 ABGB in-vitro O=CNNc1nc(C(=O)O)cs1 3768019 FDJJMOMEPVMQTD-UHFFFAOYSA-N 187.180 -0.086 50 40 ABGB C[C@@H](NC[C@@H]1CCCO1)C(=O)NN 22538910 UGRSXLGOZPVWAG-RQJHMYQMSA-N 187.243 -0.867 50 40 ABGB OB(O)c1ccc(Cl)c(F)c1O 238622548 CTAINWUUKTXUPB-UHFFFAOYSA-N 190.366 -0.136 50 40 ABGB O=C(CO)N/N=C/c1cccnc1 38822811 VLWZUHCFWLPYIN-BJMVGYQFSA-N 179.179 -0.476 50 40 ABGB NNC(=O)CCNCc1cccnc1 19736874 AAFLSWRTWXIYPT-UHFFFAOYSA-N 194.238 -0.449 50 40 ABGB O=C1C[C@H]2C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 100494328 ZCXGUBDTAVCGOT-PFFCINGUSA-N 180.159 -0.089 50 40 ABGB N#CC(C#N)=C1NC[C@H](CO)O1 239563202 XYJIORIWUJAHPJ-ZCFIWIBFSA-N 165.152 -0.774 50 40 ABGB CC(C)NC(=O)N/C=C(\C#N)C(N)=O 4430104 BRULNFQXZCEGNF-GQCTYLIASA-N 196.210 -0.413 50 40 ABGB CC(C)CCNC(=O)C(=O)NN 15014088 BRIWHAJJZGXUMK-UHFFFAOYSA-N 173.216 -0.861 50 40 ABGB O=C(CCl)CN1C(=O)CCC1=O 39318409 QUGXRLMLIODQKR-UHFFFAOYSA-N 189.598 -0.057 50 40 ABGB NNC(=O)Cc1cn2ccccc2n1 12600740 DSRNWRPRNMPQDT-UHFFFAOYSA-N 190.206 -0.133 50 40 ABGB in-vitro C[C@@H]1C[C@@H](C)CN(CC(=O)NN)C1 22538832 ZHZFXAYJKIDLBK-HTQZYQBOSA-N 185.271 -0.046 50 40 ABGB O=C1OC[C@H](O)[C@@H]1Br 30678643 STBJYHHQISGKMF-HRFVKAFMSA-N 180.985 -0.332 50 40 ABGB O=C(CO)N/N=C/c1ccncc1 59503004 UMANHBAOFPPLAK-BJMVGYQFSA-N 179.179 -0.476 50 40 ABGB CC(C)OC[C@@H](O)CCC(=O)NN 1822083 JRHYIYSDKHUWHF-ZETCQYMHSA-N 190.243 -0.458 50 40 ABGB CC(C)Oc1cnc(F)c(B(O)O)c1 169995042 RFZYRXLTARRVRZ-UHFFFAOYSA-N 198.990 -0.312 50 40 ABGB CN1CCC/C1=C(\C#N)C(N)=O 1845223 JXMZSBWXDXSQMU-SREVYHEPSA-N 165.196 -0.025 50 40 ABGB OCC#CCOC[C@H](O)CCl 5500650 RABCNNVIJMSMAO-SSDOTTSWSA-N 178.615 -0.402 50 40 ABGB NC(N)=N/N=C/CCl 5828112 DTOPKYQIRVXAOL-FARCUNLSSA-N 134.570 -0.516 50 40 ABGB CN(C)NC=O 1734876 ALTGURJQVWBILJ-UHFFFAOYSA-N 88.110 -0.791 50 40 ABGB in-vitro COCCC(=O)NNC(=O)CCl 63120236 UQPCBKUICXHVCP-UHFFFAOYSA-N 194.618 -0.591 50 40 ABGB O=C(CCl)Nn1cnnc1 5522139 JYEVUSOWMMQOTG-UHFFFAOYSA-N 160.564 -0.413 50 40 ABGB NCC(=O)OCCCl 35982054 GCUMBNXKDAMGIN-UHFFFAOYSA-N 137.566 -0.273 50 40 ABGB C[C@@](O)(C#N)CCC(N)=O 104340955 OQPGNUBQHGQOKU-LURJTMIESA-N 142.158 -0.474 50 40 ABGB O=C(CCl)NNC(=O)C1CC1 26478739 XDOTZSLMQLWNLE-UHFFFAOYSA-N 176.603 -0.217 50 40 ABGB in-vitro NNC(=O)c1ccc2[nH]nnc2c1 37389471 DSZCNQYEKPTUTO-UHFFFAOYSA-N 177.167 -0.439 50 40 ABGB N#C/C(C(N)=O)=C1\CCCN1 100027404 PNSOOZYFPPEEDN-WAYWQWQTSA-N 151.169 -0.367 50 40 ABGB OCc1cc(Cl)ccc1B(O)O 203558889 SPGPJDKIBHDACA-UHFFFAOYSA-N 186.403 -0.488 50 40 ABGB C[C@H](CN1CCCC1)C(=O)NN 2653959 UVZPWAYMBVPOGK-SSDOTTSWSA-N 171.244 -0.292 50 40 ABGB N#CC(C#N)=C1NCCN1CCO 34179735 VRBXWVPDCRVORW-UHFFFAOYSA-N 178.195 -0.857 50 40 ABGB CC(C)(C)N1C[C@H](C(=O)NN)CC1=O 66055502 AOARWVVNIVQVAA-ZCFIWIBFSA-N 199.254 -0.377 50 40 ABGB Cc1c(B(O)O)ccc(F)c1F 238482161 DGJSOELAJXKTJX-UHFFFAOYSA-N 171.939 -0.047 50 40 ABGB N/N=C1\CC[C@H](C(=O)NN)C1 4537320 IPXAZBYLUPWDQA-VYTKUIDOSA-N 156.189 -0.909 50 40 ABGB CCNC(=S)NNC(=O)C1CC1 16957787 JVLILILXLSQXJV-UHFFFAOYSA-N 187.268 -0.088 50 40 ABGB NC(=O)C(=O)N/N=C/c1cccnc1 2743299 MUWGZYWAQJPZQX-VZUCSPMQSA-N 192.178 -0.983 50 40 ABGB COC(=O)C[C@H]1CC(=O)OC1=O 8383147 DYGGXMLRSAQCBC-BYPYZUCNSA-N 172.136 -0.361 50 40 ABGB CC(=O)NNC(=O)c1cccnc1 138382 LOXUNUBVHZEFHX-UHFFFAOYSA-N 179.179 -0.138 50 40 ABGB NC(N)=NCC[C@H](Cl)C(=O)O 5828703 LALXHKNEKFWKDA-VKHMYHEASA-N 179.607 -0.658 50 40 ABGB C[C@H]1C[C@H]1C(=O)NN 2000392 YJBPEAHLEMYMEC-IUYQGCFVSA-N 114.148 -0.368 50 40 ABGB in-vitro Cc1ccnc(C)c1B(O)O 169873867 BDNGENSUAQQEKF-UHFFFAOYSA-N 150.974 -0.622 50 40 ABGB CCOC(=O)NNCC(=O)O 1563090 VOGMKSZPWZNPIF-UHFFFAOYSA-N 162.145 -0.678 50 40 ABGB OB(O)c1ccc2ncoc2c1 195843589 ZMNCHLJKWPCQFR-UHFFFAOYSA-N 162.941 -0.492 50 40 ABGB CNC(=O)NC(=O)N(C)N=O 4887610 SSMFBFLKZYALJV-UHFFFAOYSA-N 160.133 -0.351 50 40 ABGB CN[C@H]1[C@@H](Cl)CN2CC[C@@H](O)[C@@H]12 20112071 PJUKTVXTKFNCLZ-YWIQKCBGSA-N 190.674 -0.369 50 40 ABGB biogenic C[C@H]1CCCN(CC(=O)NN)C1 22538829 UYIHULRYTRWCNC-ZETCQYMHSA-N 171.244 -0.292 50 40 ABGB CC(=O)N(N)C#N 33986357 UKUXRZAZXHZIIX-UHFFFAOYSA-N 99.093 -0.810 50 40 ABGB OB(O)c1cnc(C(F)F)nc1 230530217 UWLIMJWIWNCRLG-UHFFFAOYSA-N 173.915 -0.906 50 40 ABGB CCOC(=O)/C(C#N)=C/NC(=O)NC 15767362 HJQUOJIOGWDIDS-AATRIKPKSA-N 197.194 -0.114 50 40 ABGB CC(C)(C(=O)NN)N1CCOCC1 30769518 SFBIDJFKDZEIFE-UHFFFAOYSA-N 187.243 -0.913 50 40 ABGB CCCOC[C@H](O)CCC(=O)NN 2289004 XCAXRTJKMBFUHH-SSDOTTSWSA-N 190.243 -0.456 50 40 ABGB NNC(=O)c1cn2ccncc2n1 45067979 QFKQKLJLNMWBRF-UHFFFAOYSA-N 177.167 -0.667 50 40 ABGB C=C(C#N)c1ccccc1B(O)O 169746643 GFDSBEIMHAHDDN-UHFFFAOYSA-N 172.980 -0.097 50 40 ABGB in-vitro O=C(NNCCO)c1ccncc1 1664678 ANSHCTAUWAEDNW-UHFFFAOYSA-N 181.195 -0.692 50 40 ABGB O=C=N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40166234 LUUDEEOHMVLQKT-WHFBIAKZSA-N 195.627 -0.273 50 40 ABGB CCc1cc(B(O)O)ccc1CO 675081814 NGKOEEYGZSEUFF-UHFFFAOYSA-N 180.012 -0.579 50 40 ABGB C[C@H]1C[C@@H]1C(=O)NN 2000394 YJBPEAHLEMYMEC-IMJSIDKUSA-N 114.148 -0.368 50 40 ABGB in-vitro CN(C)/C=C(\C#N)C(N)=O 3131372 XNZBBRSOQRITIK-SNAWJCMRSA-N 139.158 -0.559 50 40 ABGB in-vitro N/N=C1\CC[C@@H](C(=O)NN)C1 4537318 IPXAZBYLUPWDQA-CHSILJQXSA-N 156.189 -0.909 50 40 ABGB C[C@H](Cl)C(=O)NCC(=O)O 22002112 UBXUBYOEZMEUPZ-VKHMYHEASA-N 165.576 -0.186 50 40 ABGB NCCSSC[C@@H](N)C(=O)O 5828993 WYQFVGPQTGCDJH-SCSAIBSYSA-N 196.297 -0.262 50 40 ABGB N#C/C(N=O)=C(\N)O 111474469 IRRDCDYVIBFBDP-IHWYPQMZSA-N 113.076 -0.038 50 40 ABGB CCOC(=O)NCCB(O)O 195773756 CKVVESKSKPRXRG-UHFFFAOYSA-N 160.966 -0.795 50 40 ABGB CCN(CC)CC(=O)NN 3639304 KJYGUJCCQCEMSD-UHFFFAOYSA-N 145.206 -0.682 50 40 ABGB in-vitro OB(O)c1ccc(Cl)c2cn[nH]c12 209842746 JKWKQHLAXCIJRX-UHFFFAOYSA-N 196.402 -0.104 50 40 ABGB Cc1cccc(O)c1B(O)O 222153359 JFVRQJFOBPBETM-UHFFFAOYSA-N 151.958 -0.620 50 40 ABGB COC(=O)[C@@H](NC(C)=O)[C@@H](O)Cl 1757383 CHFHCGSFJVYQRV-CRCLSJGQSA-N 195.602 -0.779 50 40 ABGB Cc1nn(CC(=O)NN)cc1[N+](=O)[O-] 2568498 DZFBPXFTTFGKRC-UHFFFAOYSA-N 199.170 -0.910 50 40 ABGB CCCc1cc(C(=O)NN)n(C)n1 95496263 QAMSFJHSWGVYBP-UHFFFAOYSA-N 182.227 -0.024 50 40 ABGB COC1=CC(=O)OC1=O 103700895 JBTJZGIYWMHQLX-UHFFFAOYSA-N 128.083 -0.400 50 40 ABGB Nc1ccc(B(O)O)c(F)c1 169913273 NBTPCMZIQKVNFG-UHFFFAOYSA-N 154.937 -0.912 50 40 ABGB in-vitro NNC(=O)CCn1ccc([N+](=O)[O-])n1 2549517 ZEETWLHPCCIISF-UHFFFAOYSA-N 199.170 -0.829 50 40 ABGB N#CSc1c[nH]c(=O)[nH]c1=O 3013979 GJORWOYGAVIDCG-UHFFFAOYSA-N 169.165 -0.364 50 40 ABGB CCOC(C)(OCC)C(=O)NN 96300469 CVRSCYNQVFFBEL-UHFFFAOYSA-N 176.216 -0.235 50 40 ABGB in-vitro Cc1c(C(=O)NN)cnc2ncnn12 13638882 AVPCDIRBDJXWGI-UHFFFAOYSA-N 192.182 -0.964 50 40 ABGB OCC(Br)CO 38391963 HULFLYYUFHXCLJ-UHFFFAOYSA-N 154.991 -0.266 50 40 ABGB in-vitro NNC(=O)c1nncs1 72206961 IALWHNJBLDNPMZ-UHFFFAOYSA-N 144.159 -0.858 50 40 ABGB COc1cc(B(O)O)cc(Cl)n1 198023958 CWGVIXSBAQCACM-UHFFFAOYSA-N 187.391 -0.577 50 40 ABGB Cc1[nH]nc(O)c1C[C@@H](C)C(=O)NN 507595 NWGGPWLMQAXPSC-SCSAIBSYSA-N 198.226 -0.408 50 40 ABGB NC(=O)c1nonc1NCCCl 2351401 OUGQNYPRKIVYIT-UHFFFAOYSA-N 190.590 -0.181 50 40 ABGB CO[C@@H](C(=O)NN)C(C)C 22539182 BPBYGKQJYCOLBT-RXMQYKEDSA-N 146.190 -0.353 50 40 ABGB CC(C)C[C@@H](N)B(O)O 195762780 BMGMQYRPZOGZFU-RXMQYKEDSA-N 130.984 -0.628 50 40 ABGB Nc1nc(N)nc(CCl)n1 2023116 PEHJTVMOGGJPJM-UHFFFAOYSA-N 159.580 -0.225 50 40 ABGB in-vitro NNC(=O)N/N=C\c1cccc(O)c1 31667006 HYFHIDLHNNZKJR-YHYXMXQVSA-N 194.194 -0.101 50 40 ABGB C[C@@H](Cl)S(N)(=O)=O 5459969 UHSBFNPAYOCVSO-REOHCLBHSA-N 143.595 -0.140 50 40 ABGB O=C1NC[C@@H](Cl)C(=O)N1 16137469 UGNJAOTUPKDMJB-UWTATZPHSA-N 148.549 -0.567 50 40 ABGB NNC(=O)CCCCO 1706728 INQRVENAXALNOT-UHFFFAOYSA-N 132.163 -0.861 50 40 ABGB CS(=O)(=O)C#N 77302097 QEIOAAJCOKZGDV-UHFFFAOYSA-N 105.118 -0.488 50 40 ABGB in-vitro N#CSC12CN3CN(CN(C3)C1)C2 19322524 PMXBOTGQXXHTDO-UHFFFAOYSA-N 196.279 -0.241 50 40 ABGB N/C(=N\[N+](=O)[O-])NCCCl 31923478 AGWJWWQYEREDAU-UHFFFAOYSA-N 166.568 -0.679 50 40 ABGB CC(C)c1noc(C(=O)NN)n1 70451414 WRMYEXVEZFDPLQ-UHFFFAOYSA-N 170.172 -0.204 50 40 ABGB Cn1cncc1C(=O)NN 158993 CFIAOJVURKEWPG-UHFFFAOYSA-N 140.146 -0.976 50 40 ABGB in-vitro N=C(N)NNC(=O)c1ccncc1 1695846 FUMVDMAZEODKTC-UHFFFAOYSA-N 179.183 -0.791 50 40 ABGB COc1ccc(C)c(B(O)O)c1C 197891934 COCNTHHHGVFXOS-UHFFFAOYSA-N 180.012 -0.008 50 40 ABGB CN1CCOc2cc(B(O)O)ccc21 169919075 WTHSXWMILQRPIN-UHFFFAOYSA-N 193.011 -0.805 50 40 ABGB C[C@H](C(=O)NN)n1cc([N+](=O)[O-])cn1 2534377 ACSPBMYSYIOKHL-SCSAIBSYSA-N 199.170 -0.658 50 40 ABGB OCC[C@H](O)CCl 33751339 IQDXPPKWNPMHJI-BYPYZUCNSA-N 124.567 -0.032 50 40 ABGB N#C[C@H](O)c1nnc2n1CCC2 103611160 HWSLYNGGPHCWRT-YFKPBYRVSA-N 164.168 -0.219 50 40 ABGB Cn1c(B(O)O)cc2cccnc21 238527768 KOHWWCUHEBQVOB-UHFFFAOYSA-N 175.984 -0.747 50 40 ABGB COC(=O)CNC(=O)CCl 3270957 FCYYBUGNYDVXCX-UHFFFAOYSA-N 165.576 -0.486 50 40 ABGB in-vitro OC[C@H]1COCCN1CCCl 159223539 BJQIBWVDDWPTPW-ZETCQYMHSA-N 179.647 -0.082 50 40 ABGB NNC(=O)COc1cccnc1 7450514 XJWBJAWTESSUOK-UHFFFAOYSA-N 167.168 -0.550 50 40 ABGB COc1cc(B(O)O)cc(C)c1F 169995371 LWURTOAWJZDLLJ-UHFFFAOYSA-N 183.975 -0.177 50 40 ABGB in-vitro OB(O)c1ccnn1-c1ccccc1 202462920 FPRWMFUWVMAUQI-UHFFFAOYSA-N 187.995 -0.448 50 40 ABGB NNC(=O)c1cn2ccccc2n1 2505808 RHZQESDITRQWDU-UHFFFAOYSA-N 176.179 -0.062 50 40 ABGB NNC(=O)C(=O)Nc1ccccc1 2555720 APJTZBUPLMNLOG-UHFFFAOYSA-N 179.179 -0.385 50 40 ABGB NC(=O)NNC1=NCCC1 40163958 HQIGMKPAGFZGBK-UHFFFAOYSA-N 142.162 -0.648 50 40 ABGB Cn1cc(CCl)c(=O)n(C)c1=O 34195965 WFKQKJIPEIXIGO-UHFFFAOYSA-N 188.614 -0.177 50 40 ABGB NC(N)=NC(=O)CCl 59441786 FNVAEFVHQJTJGD-UHFFFAOYSA-N 135.554 -0.975 50 40 ABGB Cc1nccc(C(=O)NN)n1 392424 SVGJBFNWPZSNFQ-UHFFFAOYSA-N 152.157 -0.611 50 40 ABGB C=CCN1C[C@H](C(=O)NN)CC1=O 66055564 NQSRVGXJBPOARI-ZCFIWIBFSA-N 183.211 -0.989 50 40 ABGB N[C@H](Cc1ccc(F)cc1)B(O)O 694939823 FRAXJAASBRZNBB-MRVPVSSYSA-N 182.991 -0.293 50 40 ABGB CCNN(CC)C(N)=O 1571300 UVLPSBXBVJMSFN-UHFFFAOYSA-N 131.179 -0.089 50 40 ABGB CN(C)NC(=O)CC#N 1679172 ISKSTYGMSPWAMD-UHFFFAOYSA-N 127.147 -0.507 50 40 ABGB CC(C)=NNC(=O)C1=NNC(=O)C1 100862536 XQFIBJLYBMBCIR-UHFFFAOYSA-N 182.183 -0.626 50 40 ABGB OB(O)CI 195761633 WTHUADGVVQZUMW-UHFFFAOYSA-N 185.757 -0.567 50 40 ABGB CCc1csc(B(O)O)c1 198084441 TYDVTRDAHRNTLG-UHFFFAOYSA-N 156.015 -0.010 50 40 ABGB in-vitro N#CCC(=O)NNC(=O)CCCl 2556146 WCVINUDZGLKEQC-UHFFFAOYSA-N 189.602 -0.324 50 40 ABGB CCOC(=O)NNC(N)=O 1571298 CTXKDHZPBPQKTD-UHFFFAOYSA-N 147.134 -0.684 50 40 ABGB C[C@]1(N=C=O)CCS(=O)(=O)C1 3866022 DIVFCGOVYXWJEF-LURJTMIESA-N 175.209 -0.101 50 40 ABGB Cc1cncc(C(=O)NN)n1 39064797 OKELGYGLVSEMRW-UHFFFAOYSA-N 152.157 -0.611 50 40 ABGB O=C/C(=C/O)[N+](=O)[O-] 107920483 JBBHDCMVSJADCE-IWQZZHSRSA-N 117.060 -0.139 50 40 ABGB CN(C=O)/C=C1\C[C@H](OO)NC1=O 104115438 XTBMCPDNUBTEMZ-QVQDZQDPSA-N 186.167 -0.706 50 40 ABGB NNC(=O)N1CCCC1=O 32228254 XXEHTIFQRJRRPH-UHFFFAOYSA-N 143.146 -0.808 50 40 ABGB CC(=O)NCCNC(=O)CCl 12504862 MGROUKHXGBRDNS-UHFFFAOYSA-N 178.619 -0.523 50 40 ABGB in-vitro CC[C@@H](C)NCCC(=O)NN 19736859 YXAUQRJACKMHRE-ZCFIWIBFSA-N 159.233 -0.246 50 40 ABGB Cn1ncc2cc(F)cc(B(O)O)c21 575631002 CIXDFJWIBRTDFU-UHFFFAOYSA-N 193.974 -0.608 50 40 ABGB CC[C@H](C)NCCC(=O)NN 19736860 YXAUQRJACKMHRE-LURJTMIESA-N 159.233 -0.246 50 40 ABGB CC(C)(C)C(=O)NNC(N)=O 34626160 DVQXRMBMQBQDIR-UHFFFAOYSA-N 159.189 -0.268 50 40 ABGB NNC(=O)[C@H]1CCO[C@@H]1C(F)F 225755485 ICGUXWKNIOAHNF-IMJSIDKUSA-N 180.154 -0.354 50 40 ABGB NS(=O)(=O)N1CCC(Cl)CC1 238600398 XEXDNWIIMHBLBZ-UHFFFAOYSA-N 198.675 -0.107 50 40 ABGB O=C1OC(=O)[C@@H]2C[C@H]3O[C@@H]3C[C@@H]12 100494445 RWBDEZMVCHLSJR-KVTDHHQDSA-N 168.148 -0.137 50 40 ABGB Cn1c(B(O)O)nc2ccccc21 198052379 CEVIKYFKJKJKRT-UHFFFAOYSA-N 175.984 -0.747 50 40 ABGB OB(O)c1c[nH]c2ncccc12 169958471 CHTMPRIYDZWHNL-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB COCCNC(=S)NNC(C)=O 6820956 IOAJKJBNNHMOGR-UHFFFAOYSA-N 191.256 -0.852 50 40 ABGB N#C[C@@H](O)c1nnc2n1CCC2 103611157 HWSLYNGGPHCWRT-RXMQYKEDSA-N 164.168 -0.219 50 40 ABGB CC(C)NNC(=O)CC#N 1583758 RVQAASKXQLYCNU-UHFFFAOYSA-N 141.174 -0.071 50 40 ABGB CCOC(=O)C(C#N)=C1NCCN1 1616487 RPDBTWBXZAFEOC-UHFFFAOYSA-N 181.195 -0.523 50 40 ABGB OB(O)c1cc(O)cnc1Cl 238619369 QNJPRUDAXRSSKV-UHFFFAOYSA-N 173.364 -0.880 50 40 ABGB NNC(=O)COc1ccccc1O 1498182 HOWDHDBKKZVMKY-UHFFFAOYSA-N 182.179 -0.239 50 40 ABGB in-vitro CCCNCCC(=O)NN 19736928 UUMCSACTDOPSKK-UHFFFAOYSA-N 145.206 -0.634 50 40 ABGB CNCC(=O)NCCCCl 575422872 JWEZXFWRBVJFND-UHFFFAOYSA-N 164.636 -0.049 50 40 ABGB CC(C)(C)N1CC[C@@H]1C(=O)NN 2033641 YQSVSYWHAMPPQO-ZCFIWIBFSA-N 171.244 -0.151 50 40 ABGB CC1=C(C#N)C(=O)N[C@@]1(C)O 5459518 SLXPAVKRBGVJJA-ZETCQYMHSA-N 152.153 -0.335 50 40 ABGB NC(=O)N/N=C/CCl 17002775 SNDIEXRJNAJLSD-QHHAFSJGSA-N 135.554 -0.121 50 40 ABGB C[Si-]123OCC[N+]1(CCO2)CCO3 195819370 YRAWANOZZWZRQD-UHFFFAOYSA-N 189.287 -0.087 50 40 ABGB C[C@H](O)C(=O)N/N=C/c1cccnc1 59501309 NEECICCSAPULEP-KEXZDQNZSA-N 193.206 -0.088 50 40 ABGB Cc1cnc(Cl)c(F)c1B(O)O 197975944 NJMMLPABMFWKGC-UHFFFAOYSA-N 189.382 -0.138 50 40 ABGB N#CC1=C(N)C=C[C@@H](O)[C@@H]1CO 4879109 RZECOLSAWDWSDK-HTRCEHHLSA-N 166.180 -0.738 50 40 ABGB CCOC(=O)C/C(C)=N\NC(N)=O 5732731 BSUHPUZHTUIERW-UITAMQMPSA-N 187.199 -0.016 50 40 ABGB CC1=C(C#N)C(=O)NC(=O)C1 8569820 UUUKNDTZGANFSN-UHFFFAOYSA-N 150.137 -0.127 50 40 ABGB NNC(=O)C1C[C@@H]2CC[C@@H](C1)C2O 103708118 JAAUYVOQGMDXRR-LHZZQDSXSA-N 184.239 -0.227 50 40 ABGB C[C@H](NCc1ccco1)C(=O)NN 22538928 RRPSAIUMPFVVCV-LURJTMIESA-N 183.211 -0.252 50 40 ABGB CN1CCC[C@@](O)(C#N)C1 134334231 SLTQWOILLXQBEE-SSDOTTSWSA-N 140.186 -0.033 50 40 ABGB CCC(=O)NCCNC(=O)CCl 9426205 VGZWKBUYQVDVCX-UHFFFAOYSA-N 192.646 -0.132 50 40 ABGB NC(=O)[C@@H]1CCCN1C(=O)CCl 20294492 YKDRUBGIBPCRBH-YFKPBYRVSA-N 190.630 -0.299 50 40 ABGB in-vitro NC(=O)CCCSS(=O)(=O)O 13805592 ZWMOGEZYYAMXLN-UHFFFAOYSA-N 199.253 -0.212 50 40 ABGB CN(C=O)/C=C1/C[C@@H](OO)NC1=O 104115444 XTBMCPDNUBTEMZ-CWVDAHFDSA-N 186.167 -0.706 50 40 ABGB Cc1cc(B(O)O)c(C)cc1CO 642814508 JWBMWQHUNHJUMH-UHFFFAOYSA-N 180.012 -0.524 50 40 ABGB Cc1cc(B(O)O)c(C)cc1C=O 169994929 MVQMHCCACPAQAM-UHFFFAOYSA-N 177.996 -0.204 50 40 ABGB Cc1cc(B(O)O)c(Cl)cn1 206066592 HMXDSCAJGVPYIS-UHFFFAOYSA-N 171.392 -0.277 50 40 ABGB N#C[C@H](Br)C(N)=O 5409830 ABBGMXMPOCXVNL-REOHCLBHSA-N 162.974 -0.241 50 40 ABGB C[C@@]1(C(=O)NN)CCCCO1 47218870 XOECOZDNFPORSW-ZETCQYMHSA-N 158.201 -0.065 50 40 ABGB CCC[C@H](OC)C(=O)NN 22123675 SENDRWHYDSKGKE-YFKPBYRVSA-N 146.190 -0.209 50 40 ABGB CCNC(=O)NNC(N)=S 307577545 MDSKJFSYQGZCNJ-UHFFFAOYSA-N 162.218 -0.946 50 40 ABGB NNC(=O)c1n[nH]cc1Cl 4243760 DGRFNTUUGGUSQC-UHFFFAOYSA-N 160.564 -0.333 50 40 ABGB C/C=N\NC(N)=O 5004577 IUNNCDSJWDQYPW-DJWKRKHSSA-N 101.109 -0.340 50 40 ABGB Cc1c(CO)cccc1B(O)O 196569040 OQXKXCULNOGPRA-UHFFFAOYSA-N 165.985 -0.833 50 40 ABGB COC(=O)CCNC(=O)CCl 35044898 QSZIGTZFEBZNHL-UHFFFAOYSA-N 179.603 -0.096 50 40 ABGB in-vitro NC(=O)C(=O)N/N=C/c1ccccc1 13950473 AWYGFZHAHHWCIQ-IZZDOVSWSA-N 191.190 -0.378 50 40 ABGB NNC(=O)c1cnc(=S)[nH]c1N 223454408 HPMJAVBNYVAYOS-UHFFFAOYSA-N 185.212 -0.675 50 40 ABGB NNC(=O)c1cnccc1N 39064808 NPTAJLRKVUUHKR-UHFFFAOYSA-N 152.157 -0.733 50 40 ABGB CC(C)[C@@H](C(=O)NN)N(C)C 22539087 KUUHLWUXOUXQNH-LURJTMIESA-N 159.233 -0.438 50 40 ABGB NNC(=O)[C@H]1CCc2c[nH]nc2C1 575423945 HIVPJEJVWWJULZ-YFKPBYRVSA-N 180.211 -0.496 50 40 ABGB CC[C@](C)(C(=O)NN)N(C)C 22123701 DYQREWLVOATSQH-SSDOTTSWSA-N 159.233 -0.293 50 40 ABGB N#CC1=C(N)C=C[C@H](O)[C@H]1CO 104073883 RZECOLSAWDWSDK-XPUUQOCRSA-N 166.180 -0.738 50 40 ABGB CC(C)OCC(=O)NN 9877341 HCPZUDXZHRFUFN-UHFFFAOYSA-N 132.163 -0.599 50 40 ABGB in-vitro OB(O)c1cnn(-c2ccsc2)c1 203615446 KOLOFOFHBUHETN-UHFFFAOYSA-N 194.024 -0.386 50 40 ABGB CC(C)NC(=O)CNC(=O)CCl 12504877 NJJRIIJJIDUSGE-UHFFFAOYSA-N 192.646 -0.134 50 40 ABGB NC(=O)NC(=O)[C@@H](Cl)[N+](=O)[O-] 106126982 SCADSDMPZKQMOV-SFOWXEAESA-N 181.535 -0.977 50 40 ABGB CC(C)C[C@H](N)C(=O)NN 1666489 GLVPVOKTIZSQIS-YFKPBYRVSA-N 145.206 -0.650 50 40 ABGB O=C=N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40166233 LUUDEEOHMVLQKT-RFZPGFLSSA-N 195.627 -0.273 50 40 ABGB COc1ccc(B(O)O)c(O)c1 197110941 SULLGJWNKYFKQU-UHFFFAOYSA-N 167.957 -0.919 50 40 ABGB C=CCNC(=S)NNC(N)=O 3277040 KSZRMOKEHGNEDN-UHFFFAOYSA-N 174.229 -0.780 50 40 ABGB O=S(=O)(O)[C@@H](O)CCl 5131961 HJNWYGLPGLWUEV-UWTATZPHSA-N 160.578 -0.569 50 40 ABGB in-vitro O=C(CCl)NCCCO 40165673 PBPVPYSNKDMFFQ-UHFFFAOYSA-N 151.593 -0.276 50 40 ABGB CCCNC(=O)N/C=C(/C#N)C(N)=O 100320528 GMJUIWYJWYWYEO-WAYWQWQTSA-N 196.210 -0.412 50 40 ABGB CNNC(=O)c1ccncc1 1760507 YUHWRKDHBKNAGH-UHFFFAOYSA-N 151.169 -0.054 50 40 ABGB NNC(=O)[C@@H]1Cc2ccccc2O1 6583261 NUOAPTSESUAZOB-QMMMGPOBSA-N 178.191 -0.020 50 40 ABGB in-vitro N#CC=C1NCCN1 32302128 WAFRBZOLXQGXPQ-UHFFFAOYSA-N 109.132 -0.456 50 40 ABGB CC(C)NC(=O)NN 36948157 LFKPBYQABCKLDW-UHFFFAOYSA-N 117.152 -0.432 50 40 ABGB CN(N=O)C(=O)NC(N)=O 4896112 YBODEWRZWWTHPL-UHFFFAOYSA-N 146.106 -0.612 50 40 ABGB Cc1cc(C)c(B(O)O)c(C)n1 169873951 JIRJWTLUYBSLGP-UHFFFAOYSA-N 165.001 -0.313 50 40 ABGB CC[C@@H](C(=O)NN)n1ccnc1 82468498 FGRNROUYXSVFHD-LURJTMIESA-N 168.200 -0.176 50 40 ABGB O=S1(=O)CC[C@@H](O)[C@@H]1Cl 40166206 ZQHWEZFQCDXSTP-QWWZWVQMSA-N 170.617 -0.269 50 40 ABGB CC/N=C(\N)CSS(=O)(=O)O 31723283 OPRWASLSDWMPNH-UHFFFAOYSA-N 198.269 -0.101 50 40 ABGB in-vitro NNC(=O)C(=O)NC1CCCC1 34977814 WFRPOLIXXOBPKU-UHFFFAOYSA-N 171.200 -0.965 50 40 ABGB O=C(O)CC[C@@H]1NC(=O)OC1=O 100508190 HREIIWNNSVGCED-VKHMYHEASA-N 173.124 -0.514 50 40 ABGB Cc1nccc(B(O)O)c1F 169969351 WSDDELAHKCYGSE-UHFFFAOYSA-N 154.937 -0.791 50 40 ABGB CC(C)(C(=O)NN)N1CCCC1 22538932 JTJPEKMFQUEVSJ-UHFFFAOYSA-N 171.244 -0.149 50 40 ABGB CCCNC(=O)N/C(C#N)=C(/N)C#N 100004391 QOTYZXMDLZOQKZ-VOTSOKGWSA-N 193.210 -0.087 50 40 ABGB CC(=O)c1ccsc1B(O)O 169969410 PQADNZSQUZLYFB-UHFFFAOYSA-N 169.998 -0.370 50 40 ABGB CCO[Si](=O)O 195841610 JDAIJCNBFIWLJJ-UHFFFAOYSA-N 106.153 -0.569 50 40 ABGB NNC(=O)[C@H](N)Cc1ccc(O)cc1 388236 MWIXENPCUPDSOS-MRVPVSSYSA-N 195.222 -0.748 50 40 ABGB CN(CC(=O)O)C(=O)CCl 36458797 KYWZUYMZBLBECP-UHFFFAOYSA-N 165.576 -0.232 50 40 ABGB in-vitro CO[C@@H]1O[C@@H](OC)[C@@H](O)[C@@H]1Cl 59991005 IGTDZTDSUCGBCP-UNTFVMJOSA-N 182.603 -0.070 50 40 ABGB NNC(=O)[C@@H]1CCc2cnoc2C1 575424819 OAWQTWCIJQOAAB-RXMQYKEDSA-N 181.195 -0.231 50 40 ABGB CO[C@@H](CO)[C@@H](Br)CO 95080180 UHKBTDWTYPQWLS-WHFBIAKZSA-N 199.044 -0.251 50 40 ABGB in-vitro CCOC(=O)/C(C#N)=C/NC(N)=S 103543922 CZIYYALCBJYMHK-SNAWJCMRSA-N 199.235 -0.210 50 40 ABGB OCC(CO)(CO)CBr 163718 MMHHBAUIJVTLFZ-UHFFFAOYSA-N 199.044 -0.655 50 40 ABGB C/C(=C(\C#N)C(N)=O)N(C)C 167336 CPNKUDCDGKOECR-WAYWQWQTSA-N 153.185 -0.169 50 40 ABGB CN[C@H]1[C@H](Cl)CN2CC[C@@H](O)[C@@H]12 20112075 PJUKTVXTKFNCLZ-NGJRWZKOSA-N 190.674 -0.369 50 40 ABGB biogenic CCNC(=S)NNC(=O)COC 5979482 CGUKUNKMMRWGMS-UHFFFAOYSA-N 191.256 -0.852 50 40 ABGB C[C@@H](Sc1ncn[nH]1)C(=O)NN 16322350 GPXHBLLOPIRKFX-GSVOUGTGSA-N 187.228 -0.725 50 40 ABGB COC(=O)NNC(C)(C)C(=O)O 40166160 OJKJYTMPZLYJNF-UHFFFAOYSA-N 176.172 -0.290 50 40 ABGB CN(N)C(=O)CC#N 2565130 YJRJDSITBTYELB-UHFFFAOYSA-N 113.120 -0.768 50 40 ABGB COCOc1cc(F)cc(B(O)O)c1 211808167 QSAXVWPDRGOWMV-UHFFFAOYSA-N 199.974 -0.512 50 40 ABGB OC[C@@H](O)COCCBr 1083807979 NDEMJZXYDQVIDP-RXMQYKEDSA-N 199.044 -0.249 50 40 ABGB CC(=O)NCC(=O)Cl 11892187 SYQTZIOAYGQFCE-UHFFFAOYSA-N 135.550 -0.112 50 40 ABGB NNC(=O)c1cc(N)cc([N+](=O)[O-])c1 2566100 UPGOATGNVSQRAI-UHFFFAOYSA-N 196.166 -0.220 50 40 ABGB in-vitro CONC(=O)CCl 32626813 QUWWITOOFIHCJI-UHFFFAOYSA-N 123.539 -0.097 50 40 ABGB in-vitro CC(=N\O)/C(C)=N/NC(=O)CO 55120853 XMRPBTGGGLCCNY-XCIOYXGDSA-N 173.172 -0.679 50 40 ABGB CC(C)(C)N1CC[C@H]1C(=O)NN 1756997 YQSVSYWHAMPPQO-LURJTMIESA-N 171.244 -0.151 50 40 ABGB CO/N=C(\C(=O)O)C(=O)CCl 34016912 QWNGESOREPKWTG-DAXSKMNVSA-N 179.559 -0.119 50 40 ABGB Cc1ccnc(Cl)c1B(O)O 169855894 VCGWAHJXFWBCSW-UHFFFAOYSA-N 171.392 -0.277 50 40 ABGB NC(=O)NNC(=O)c1ccccn1 9514137 DJXHVDKRFZZERE-UHFFFAOYSA-N 180.167 -0.605 50 40 ABGB CO[C@H]1O[C@@H](OC)[C@@H](O)[C@H]1Cl 252515305 IGTDZTDSUCGBCP-DPYQTVNSSA-N 182.603 -0.070 50 40 ABGB CC(=O)NNC1CCN(C)CC1 1841011 JDZQCVNSMIOFBW-UHFFFAOYSA-N 171.244 -0.279 50 40 ABGB NNC(=O)CCNC[C@@H]1CCCO1 19736909 PNIGKZNIOUEGGC-ZETCQYMHSA-N 187.243 -0.865 50 40 ABGB CN1CCC[C@](O)(C#N)C1 134334210 SLTQWOILLXQBEE-ZETCQYMHSA-N 140.186 -0.033 50 40 ABGB COc1cc(O)cc(B(O)O)c1 206071633 SSSJTVQQXXYXLX-UHFFFAOYSA-N 167.957 -0.919 50 40 ABGB COC(=O)NNc1[nH]cnc1C(N)=O 5799953 MBMFAKRBWOUSKR-UHFFFAOYSA-N 199.170 -0.809 50 40 ABGB CC[C@@](C)(OC)C(=O)NN 22123824 GXGWWJQXNAEULO-ZCFIWIBFSA-N 146.190 -0.209 50 40 ABGB CNC(=O)[C@H](Cl)C(C)=O 2038076 XIWMZCRVSYHMER-SCSAIBSYSA-N 149.577 -0.071 50 40 ABGB in-vitro C[C@@H]1CO[C@](C)(CC(=O)NN)O1 4689852 QKGCZHRFGAFLBK-VDTYLAMSSA-N 174.200 -0.482 50 40 ABGB CN(C=O)/C=C1\C[C@@H](OO)NC1=O 104115448 XTBMCPDNUBTEMZ-MXTDHUQFSA-N 186.167 -0.706 50 40 ABGB C[C@@H]1CO[C@@](C)(CC(=O)NN)O1 4689850 QKGCZHRFGAFLBK-IYSWYEEDSA-N 174.200 -0.482 50 40 ABGB C[C@H](O)C(=O)N/N=C/c1ccccn1 59501311 NFXPWIPPKFULJC-KEXZDQNZSA-N 193.206 -0.088 50 40 ABGB NNC(=O)CC(O)(C1CC1)C1CC1 1692822 IJJYRYPVNMGQKD-UHFFFAOYSA-N 184.239 -0.083 50 40 ABGB CC(C)(C#N)NNC(N)=O 3075417 PYEDSIHMQMSFGP-UHFFFAOYSA-N 142.162 -0.539 50 40 ABGB OB(O)c1cc2cc(F)ccc2[nH]1 199620372 FURMOEZNGAUTMY-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB N=C(NCCCCl)N[N+](=O)[O-] 1668460 YILPYQNCUVSBJP-UHFFFAOYSA-N 180.595 -0.079 50 40 ABGB CO/N=C/NC(=O)/C(C#N)=C/N(C)C 15957118 UIOSTOKRNIXYHV-FNORWQNLSA-N 196.210 -0.339 50 40 ABGB NNC(=O)[C@H]1CCc2n[nH]cc2C1 575422260 ARAPPWHRGBRFAI-YFKPBYRVSA-N 180.211 -0.496 50 40 ABGB NNC(=O)c1ccccc1NCCO 1701514 KBPNLPNBYGNJJN-UHFFFAOYSA-N 195.222 -0.306 50 40 ABGB Cc1c([N+](=O)[O-])c(C(=O)NN)nn1C 2568974 BZJWAICWGPDVMF-UHFFFAOYSA-N 199.170 -0.760 50 40 ABGB N#CC1=C(N)CCNC1 19933824 SNDHGRMHEXOIHX-UHFFFAOYSA-N 123.159 -0.284 50 40 ABGB CN[C@@H]1[C@H](Cl)CN2CC[C@@H](O)[C@@H]12 20112073 PJUKTVXTKFNCLZ-XUTVFYLZSA-N 190.674 -0.369 50 40 ABGB biogenic C[C@@H](NC[C@H]1CCCO1)C(=O)NN 22538917 UGRSXLGOZPVWAG-RNFRBKRXSA-N 187.243 -0.867 50 40 ABGB COc1ccc(B(O)O)c(C=O)c1F 169995239 UJXWHOFERMURPA-UHFFFAOYSA-N 197.958 -0.673 50 40 ABGB OB(O)c1ccnc2cnccc12 238630613 JNMNCRJMFQKBKG-UHFFFAOYSA-N 173.968 -0.690 50 40 ABGB N#CCC(=O)NNC(=O)C1CC1 18191995 DZUQDABEZWPAKN-UHFFFAOYSA-N 167.168 -0.543 50 40 ABGB O=C1OC(=O)C2=C1[C@@H]1C=C[C@H]2O1 100494217 GUXFBTSMGPMSKL-ZXZARUISSA-N 164.116 -0.296 50 40 ABGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C[C@H]2[C@H]2O[C@H]12 100494322 UUWMOJSMSOVYSY-IPQSZEQASA-N 180.159 -0.281 50 40 ABGB N#CSC1N2CN3CN(C2)CN1C3 19321117 JLZWJPANZSCOQL-UHFFFAOYSA-N 197.267 -0.479 50 40 ABGB NC(=O)NC(=O)CCBr 1664837 UCOAHJLRLBPHIV-UHFFFAOYSA-N 195.016 -0.034 50 40 ABGB O=C(NCCO)C(Cl)Cl 4530375 JYWGZDGPDBDTAN-UHFFFAOYSA-N 172.011 -0.101 50 40 ABGB NNC(=O)c1ccc(CO)cc1 37388504 LVFJZXMIQREUAK-UHFFFAOYSA-N 166.180 -0.218 50 40 ABGB in-vitro Nc1nc2[nH]c(CCl)cc(=O)n2n1 100020376 JYCINVQOGMZLJM-UHFFFAOYSA-N 199.601 -0.261 50 40 ABGB in-vitro COc1ccc(B(O)O)c2cn[nH]c12 238430065 DZMPENWGBBKCSU-UHFFFAOYSA-N 191.983 -0.749 50 40 ABGB Cn1ncc2c1C[C@H](C(=O)NN)CC2 575425570 SSRJVPOWQHEZTN-ZCFIWIBFSA-N 194.238 -0.485 50 40 ABGB OB(O)c1nccc2ccccc12 169810227 RVUIQFODKHOTHQ-UHFFFAOYSA-N 172.980 -0.085 50 40 ABGB OB(O)c1ccc(O)nc1Cl 238624641 BFSYFRIFYUPFOR-UHFFFAOYSA-N 173.364 -0.880 50 40 ABGB COC[C@H]1NC(=O)OC1=O 1772715047 VUMFTPDTOMIGFU-GSVOUGTGSA-N 145.114 -0.732 50 40 ABGB C/C(CCl)=N\N=C(N)N 16970191 PFAKVDNMGVXKKW-FPYGCLRLSA-N 148.597 -0.126 50 40 ABGB COC(=O)CN=C=O 3139118 ZGONRPXUNVTWTA-UHFFFAOYSA-N 115.088 -0.505 50 40 ABGB in-vitro NNC(=O)Cc1ccc2c(c1)OCO2 9028507 RUQXGTPXKXCQME-UHFFFAOYSA-N 194.190 -0.052 50 40 ABGB in-vitro Cc1ccc(C(=O)NN)[nH]1 37624541 PSQAPLFZASNPLM-UHFFFAOYSA-N 139.158 -0.073 50 40 ABGB CC1(C)OC(=O)C[C@@H]1CC(=O)NN 493758 UQOLBHYMJIEPSG-YFKPBYRVSA-N 186.211 -0.292 50 40 ABGB N[C@@H]1C[C@H](Br)OC1=O 675082828 ONQXTUYDSMHOLJ-PWNYCUMCSA-N 180.001 -0.018 50 40 ABGB N#CC1=CNC(=O)NC1 39460 YPAXHFPJSHIUAN-UHFFFAOYSA-N 123.115 -0.293 50 40 ABGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C=C[C@H]2O1 8100961 QQYNRBAAQFZCLF-JGWLITMVSA-N 166.132 -0.361 50 40 ABGB COC(=O)CNC(=O)[C@@H](C)Cl 19441909 QPEUVMOYQJAZJG-SCSAIBSYSA-N 179.603 -0.097 50 40 ABGB in-vitro N[C@@H](Cc1ccccc1)B(O)O 169748494 OAZCLPVPUZOYGA-QMMMGPOBSA-N 165.001 -0.432 50 40 ABGB in-vivo CC(=O)/C(C)=N/NC(=O)CC#N 13464200 KYBBSJHBCODQTM-WEVVVXLNSA-N 167.168 -0.019 50 40 ABGB C=CCN1C(=O)NOC(N)=C1C#N 4727458 DQXHPWBEJTYAOX-UHFFFAOYSA-N 180.167 -0.219 50 40 ABGB O=C1OC(=O)N2CC[C@@H]12 59199490 XPYOEDHOQKQPQE-VKHMYHEASA-N 127.099 -0.263 50 40 ABGB COC(=O)/C(C#N)=C1/CC[C@H](O)N1 104287598 VOCHFQKUSYTHMM-RBSILHGTSA-N 182.179 -0.361 50 40 ABGB Cl[C@@H]1CCN[C@@H]2NCN[C@H]12 2060992639 CWYAQOOTTXUUSM-HSUXUTPPSA-N 161.636 -0.568 50 40 ABGB COC(=O)CC/C(C)=N\NC(N)=O 4430028 DLPCAZQAWXZGFM-UITAMQMPSA-N 187.199 -0.016 50 40 ABGB N[C@@H](Cc1ccc(F)cc1)B(O)O 694940423 FRAXJAASBRZNBB-QMMMGPOBSA-N 182.991 -0.293 50 40 ABGB NCCSS(=O)(=O)O 19702041 MXTPRJXPLFGHEE-UHFFFAOYSA-N 157.216 -0.519 50 40 ABGB in-vitro OC[C@@H](O)COCCCCl 1083807914 BOUREMCCUBYXAF-ZCFIWIBFSA-N 168.620 -0.015 50 40 ABGB Cc1ccc(F)c(B(O)O)c1O 200383626 NWMPBVGNPGAQAS-UHFFFAOYSA-N 169.948 -0.480 50 40 ABGB OB(O)c1ccnc2cc[nH]c12 238630468 RKKMQVLREQICLB-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB O=C(O)C(=O)CCl 5112710 RCWFNCXDFSOVLG-UHFFFAOYSA-N 122.507 -0.121 50 40 ABGB CC(=O)c1c[nH]c(C(=O)NN)c1 2597338 AVYAAHSFYODHLB-UHFFFAOYSA-N 167.168 -0.179 50 40 ABGB N#C/C=C/C(N)=O 5409898 PKZVBYCWPSVUMT-OWOJBTEDSA-N 96.089 -0.449 50 40 ABGB CCOC(=O)/C(C#N)=C\NC(N)=S 100608710 CZIYYALCBJYMHK-PLNGDYQASA-N 199.235 -0.210 50 40 ABGB NNC(=O)[C@@H]1CCc2c[nH]nc2C1 575423944 HIVPJEJVWWJULZ-RXMQYKEDSA-N 180.211 -0.496 50 40 ABGB COCCNC(=O)NC(=O)CCl 3345146 YJKDCEPMECUOEX-UHFFFAOYSA-N 194.618 -0.303 50 40 ABGB in-vitro NNC(=O)c1cnsn1 1235185 YHSRKDCHGIFFEF-UHFFFAOYSA-N 144.159 -0.858 50 40 ABGB CNC(=O)N/C=C(\C#N)C(=O)OC 5544365 UOCZYNSEWTUDIS-SNAWJCMRSA-N 183.167 -0.504 50 40 ABGB O=C=N[C@H]1CS(=O)(=O)C[C@H]1Cl 40166232 LUUDEEOHMVLQKT-UHNVWZDZSA-N 195.627 -0.273 50 40 ABGB NC(=O)N/N=C/C(=O)C(F)(F)F 100422582 BGBHTIZXIUGGEA-XLUWADSXSA-N 183.089 -0.228 50 40 ABGB in-vitro O=C1OC(=O)[C@@H]2C[C@H]3O[C@@H]3C[C@H]12 100494447 RWBDEZMVCHLSJR-JGWLITMVSA-N 168.148 -0.137 50 40 ABGB Nc1c(F)cc(F)cc1B(O)O 169855791 UCYXMGAVMYFHST-UHFFFAOYSA-N 172.927 -0.773 50 40 ABGB CN=C=O 8681666 HAMGRBXTJNITHG-UHFFFAOYSA-N 57.052 -0.048 50 40 ABGB investigational NNC(=O)Cc1ccc(N)cc1 69635661 PYQBZKOAWNKXIL-UHFFFAOYSA-N 165.196 -0.199 50 40 ABGB Cc1cc(OCC(=O)NN)no1 4206013 WAPPNDQGONPXEE-UHFFFAOYSA-N 171.156 -0.648 50 40 ABGB in-vitro CC(=O)OC[C@](C)(O)C#N 104177731 RGCYRXHJSPIGGU-ZCFIWIBFSA-N 143.142 -0.176 50 40 ABGB N#CC1(C(=O)NN)CC1 6760923 NEOZWNXNSMVZNG-UHFFFAOYSA-N 125.131 -0.720 50 40 ABGB CS(=O)(=O)NC(=O)CCl 107512654 BKLFBPWLPOUGTM-UHFFFAOYSA-N 171.605 -0.699 50 40 ABGB in-vitro NCCS(=O)(=O)CCCl 34513592 HPKMXOWNGSBOME-UHFFFAOYSA-N 171.649 -0.401 50 40 ABGB OCc1c(F)ccc(B(O)O)c1F 169994693 AOTLVFMQQQBEHC-UHFFFAOYSA-N 187.938 -0.863 50 40 ABGB in-vitro COC(=O)NNC(=O)/C=C/C(=O)O 4550483 QACAWKULELSGEV-NSCUHMNNSA-N 188.139 -0.986 50 40 ABGB O=C(CO)OCCBr 1083809109 GVKTWHAZJPTMHG-UHFFFAOYSA-N 183.001 -0.083 50 40 ABGB CCOC1=CC(=O)OC1=O 103700899 PFASSPYFJVNBQQ-UHFFFAOYSA-N 142.110 -0.010 50 40 ABGB C[C@@H](O)[C@H](Cl)S(C)(=O)=O 96518893 OVHXHFSFZWLDCV-QWWZWVQMSA-N 172.633 -0.023 50 40 ABGB COC(N)=C(C#N)C#N 390991 AFKCHZXZRMHENM-UHFFFAOYSA-N 123.115 -0.150 50 40 ABGB NNC(=O)c1cccn2ccnc12 22996784 GXXYAEDXRKSPBK-UHFFFAOYSA-N 176.179 -0.062 50 40 ABGB CC[C@H](C(=O)NN)n1ccnc1 82468499 FGRNROUYXSVFHD-ZCFIWIBFSA-N 168.200 -0.176 50 40 ABGB Cc1ccc(C(=O)NN)nc1 75848530 SSIZHOAODPVTMB-UHFFFAOYSA-N 151.169 -0.006 50 40 ABGB OB(O)c1ccnc2ccncc12 1504308169 BWIQUVRDHCULKC-UHFFFAOYSA-N 173.968 -0.690 50 40 ABGB N#C[C@H](O)[C@H]1CCOC1 59261672 VCRKYUBLJVLAQI-WDSKDSINSA-N 127.143 -0.093 50 40 ABGB in-vitro COc1c(C)ccc(B(O)O)c1C 169807375 CWWBCRWPSXQKDK-UHFFFAOYSA-N 180.012 -0.008 50 40 ABGB O=C(CCl)NCCO 1664000 YMURLKIIDQPXRE-UHFFFAOYSA-N 137.566 -0.666 50 40 ABGB O=CNNC(=S)NCc1ccco1 16957872 DGABVFOGWADMFO-UHFFFAOYSA-N 199.235 -0.095 50 40 ABGB C[C@@H]1CCCCN1CC(=O)NN 8727419 LKLNIFJQFZOEOG-SSDOTTSWSA-N 171.244 -0.149 50 40 ABGB NNC(=O)C1C[C@@H]2CC[C@H](C1)C2O 85398746 JAAUYVOQGMDXRR-XEDAXZNXSA-N 184.239 -0.227 50 40 ABGB CCN(N)C(C)=O 39213450 SOHGTZGWMYZGGJ-UHFFFAOYSA-N 102.137 -0.272 50 40 ABGB CO[C@@H]1C(=O)OC(=O)[C@@H]1OC 104242335 SUDRMAHWTQRZKY-ZXZARUISSA-N 160.125 -0.900 50 40 ABGB CN[C@@H]1[C@@H](Cl)CN2CC[C@@H](O)[C@@H]12 20112069 PJUKTVXTKFNCLZ-OSMVPFSASA-N 190.674 -0.369 50 40 ABGB biogenic CSc1ncc(C)cc1B(O)O 307638710 DCZVZGYQNGGQRY-UHFFFAOYSA-N 183.041 -0.208 50 40 ABGB C[C@H](O)[C@@H](Cl)S(C)(=O)=O 96518894 OVHXHFSFZWLDCV-IMJSIDKUSA-N 172.633 -0.023 50 40 ABGB CCOC(=O)/C(C#N)=C\NC(N)=O 100296529 OYNQLVPJARAAPD-PLNGDYQASA-N 183.167 -0.375 50 40 ABGB NC(=O)C(=O)NN=C(C1CC1)C1CC1 5788701 ZDHDSPWXWBAOHO-UHFFFAOYSA-N 195.222 -0.236 50 40 ABGB O=C1NCC[C@H](O)[C@@H]1Cl 13386282 DYKPLOLHTPIGQK-IMJSIDKUSA-N 149.577 -0.525 50 40 ABGB biogenic O=S1(=O)CC[C@H](O)[C@@H]1Cl 40166208 ZQHWEZFQCDXSTP-IUYQGCFVSA-N 170.617 -0.269 50 40 ABGB O=C(CCl)/N=C/NO 98213659 MCHSMLGEDJOAMO-UHFFFAOYSA-N 136.538 -0.241 50 40 ABGB S=C=NC1N2CN3CN(C2)CN1C3 72225999 DJGNNKDDBRTNSL-UHFFFAOYSA-N 197.267 -0.591 50 40 ABGB N#CC(C#N)=C1NC[C@@H](CO)O1 239563201 XYJIORIWUJAHPJ-LURJTMIESA-N 165.152 -0.774 50 40 ABGB NNC(=O)c1cnoc1 39119940 UYPJVBNVGXEBIY-UHFFFAOYSA-N 127.103 -0.722 50 40 ABGB CC(=O)N[C@@H](C)/C(C)=N\NC(N)=O 5699635 YGWICYYBFINLPM-GVWSCFRRSA-N 186.215 -0.445 50 40 ABGB NNC(=O)C(=O)N1CCCCCC1 13943421 IHYNEEAEHJQIEX-UHFFFAOYSA-N 185.227 -0.621 50 40 ABGB CN1CCCC[C@@H]1C(=O)NN 39136624 SCDYQYASUAZAMO-ZCFIWIBFSA-N 157.217 -0.539 50 40 ABGB COc1ccc(B(O)O)c(C(=O)O)c1 198968952 PNVDQPLVKWPORA-UHFFFAOYSA-N 195.967 -0.927 50 40 ABGB Nc1csc(B(O)O)c1 204752721 SPJREJSMKPMJCO-UHFFFAOYSA-N 142.976 -0.990 50 40 ABGB CO[C@H]1C[C@@H](NC(C)=O)C=C(C=O)O1 1866132 YWTANJPZRFDTND-IONNQARKSA-N 199.206 -0.033 50 40 ABGB C=CCNC(=S)NNC(=O)CC#N 5283091 FOPUDUSGYPMSFO-UHFFFAOYSA-N 198.251 -0.419 50 40 ABGB CN(C)C(=O)CNC(=O)CCl 8390409 PRXRMZGDWQPBNR-UHFFFAOYSA-N 178.619 -0.570 50 40 ABGB CCc1noc(C(=O)NN)n1 78404290 BKZRBJZGXSOVRN-UHFFFAOYSA-N 156.145 -0.765 50 40 ABGB NNC(=O)c1cc(N)cc(N)c1 156698 SXCOUZHOCZHPIZ-UHFFFAOYSA-N 166.184 -0.546 50 40 ABGB in-vitro C/C(NCCN(C)C)=C(/C#N)C(N)=O 19939433 KKWSEUSMGUNSBD-BQYQJAHWSA-N 196.254 -0.580 50 40 ABGB O=C(CCl)OC1CNC1 42768563 VAQAQBITYJTIOP-UHFFFAOYSA-N 149.577 -0.260 50 40 ABGB CCCCNC(=O)NN 36948045 OQGXXDLQVFZTAD-UHFFFAOYSA-N 131.179 -0.041 50 40 ABGB in-vitro NC(=O)NNC1=NCCCC1 40163970 YDPGGNUXCPXOCT-UHFFFAOYSA-N 156.189 -0.258 50 40 ABGB CCNC(=O)CNC(=O)CCl 8231192 JVNXBOHWCHTMJG-UHFFFAOYSA-N 178.619 -0.523 50 40 ABGB CC(=O)N1CCC(C(=O)NN)CC1 4294057 XEYVCHIDLYYNEE-UHFFFAOYSA-N 185.227 -0.765 50 40 ABGB in-vitro NNC(=O)CCNCc1ccco1 58840830 AFWVJGCSNAUTHH-UHFFFAOYSA-N 183.211 -0.251 50 40 ABGB C[C@@H](Cl)C(=O)NC(C)(CO)CO 58853804 WMTXEGLTFXROTO-RXMQYKEDSA-N 195.646 -0.527 50 40 ABGB N#C[C@@H](O)[C@H]1CCOC1 59261665 VCRKYUBLJVLAQI-NTSWFWBYSA-N 127.143 -0.093 50 40 ABGB in-vitro CCCNC(=O)N/C(C#N)=C(\N)C#N 19850596 QOTYZXMDLZOQKZ-SREVYHEPSA-N 193.210 -0.087 50 40 ABGB OB(O)c1ccc2c(c1)CCN2 169810253 CEROEJJKQHMTSL-UHFFFAOYSA-N 162.985 -0.666 50 40 ABGB NNC(=O)c1cncc(N)c1 1605380 MCMVVVHXYKRDAX-UHFFFAOYSA-N 152.157 -0.733 50 40 ABGB NC(N)=N/N=C\CCl 17352486 DTOPKYQIRVXAOL-UQCOIBPSSA-N 134.570 -0.516 50 40 ABGB NNC(=O)c1cccc(F)n1 1596029 ZWWGWPLNTDADAD-UHFFFAOYSA-N 155.132 -0.176 50 40 ABGB in-vitro CC[C@H](C(=O)NN)N(C)C 22538966 OFTBJAWUKMETNT-RXMQYKEDSA-N 145.206 -0.684 50 40 ABGB NNC(=O)c1c(F)cncc1F 306452672 VXZFSIMGMBKQAB-UHFFFAOYSA-N 173.122 -0.037 50 40 ABGB O=C1C[C@H]([n+]2ccccc2)C(=O)O1 101462931 OFKDSJAXCOLISH-ZETCQYMHSA-N 178.167 -0.011 50 40 ABGB NNC(=O)[C@H]1CCc2cnoc2C1 575424820 OAWQTWCIJQOAAB-YFKPBYRVSA-N 181.195 -0.231 50 40 ABGB C[C@@H](N)COC[C@H](O)CCl 1772715127 DSAKRQNGJCFKKN-PHDIDXHHSA-N 167.636 -0.050 50 40 ABGB COC[C@H](O)CNC(=O)[C@H](C)Cl 70590158 VONSBUVJWZLQFM-NTSWFWBYSA-N 195.646 -0.263 50 40 ABGB CNC(=O)[C@@H](Cl)C(C)=O 2038075 XIWMZCRVSYHMER-BYPYZUCNSA-N 149.577 -0.071 50 40 ABGB in-vitro COC(=O)/C(C#N)=C1/CC[C@@H](O)N1 104287604 VOCHFQKUSYTHMM-KXTMECRCSA-N 182.179 -0.361 50 40 ABGB CCc1ccc(O)c(B(O)O)c1 205108717 CPGQGJFPSZFPTO-UHFFFAOYSA-N 165.985 -0.366 50 40 ABGB C/C(=N/NC(N)=O)C(=O)O 4403921 MGIAKYQGSBSNMG-KXFIGUGUSA-N 145.118 -0.885 50 40 ABGB CC(=O)NNC(=O)[C@@H]1CCCCN1 5004116 JIZFCIWWFSCXIB-ZETCQYMHSA-N 185.227 -0.704 50 40 ABGB N#CCC(=O)NNC1=NCCC1 5257643 KJWVEARMARVQOJ-UHFFFAOYSA-N 166.184 -0.287 50 40 ABGB N[C@@H]1C[C@@H](Br)OC1=O 675082826 ONQXTUYDSMHOLJ-GBXIJSLDSA-N 180.001 -0.018 50 40 ABGB OC[C@H](O)COCCCCl 1083807913 BOUREMCCUBYXAF-LURJTMIESA-N 168.620 -0.015 50 40 ABGB N/N=C1/CC[C@H](C(=O)NN)C1 17285689 IPXAZBYLUPWDQA-DSRMYHMJSA-N 156.189 -0.909 50 40 ABGB COc1cncc(B(O)O)c1C 169995443 ZVTIEIFFLNVVJQ-UHFFFAOYSA-N 166.973 -0.922 50 40 ABGB in-vitro CCC[C@H](C(=O)NN)N(C)C 22123549 JPZNODUKAAZTPH-ZCFIWIBFSA-N 159.233 -0.293 50 40 ABGB Cc1cc(B(O)O)sn1 197650300 GVVJJZPKBBGDKV-UHFFFAOYSA-N 142.976 -0.869 50 40 ABGB NNC(=O)[C@@H]1CNc2ccccc2N1 223069977 KDULKADBFCAJEQ-QMMMGPOBSA-N 192.222 -0.118 50 40 ABGB NNC(=O)c1ccncc1N 6584983 YEFPNWUYEOCTIE-UHFFFAOYSA-N 152.157 -0.733 50 40 ABGB COCCn1cccc1C(=O)NN 19802962 HIUQJDVXUFFQGJ-UHFFFAOYSA-N 183.211 -0.262 50 40 ABGB Cc1cccc(C(=O)NN)n1 1735104 RNVLWLLEQBBBMM-UHFFFAOYSA-N 151.169 -0.006 50 40 ABGB in-vitro OB(O)c1ccnn1CC(F)(F)F 204254387 GIGNOBLKZPXZQS-UHFFFAOYSA-N 193.921 -0.875 50 40 ABGB N#C[C@@H](Br)C(N)=O 1638459 ABBGMXMPOCXVNL-UWTATZPHSA-N 162.974 -0.241 50 40 ABGB CSc1cnc(F)c(B(O)O)c1 169994877 YWRDXIZMQZFIBK-UHFFFAOYSA-N 187.004 -0.378 50 40 ABGB N[C@@H](CCc1ccccc1)B(O)O 238569080 OEHQAQIOURVFLB-VIFPVBQESA-N 179.028 -0.042 50 40 ABGB COC[C@H](O)CNC(=O)[C@@H](C)Cl 70590159 VONSBUVJWZLQFM-PHDIDXHHSA-N 195.646 -0.263 50 40 ABGB NNC(=O)c1ccc2nncn2c1 73667759 GVORDUMDCYAGTQ-UHFFFAOYSA-N 177.167 -0.667 50 40 ABGB CC(C)NNC(=O)[C@@H](C)N 1678596 RXDDFZPTCJOFGW-RXMQYKEDSA-N 145.206 -0.637 50 40 ABGB NNC(=O)CN1CCCCCC1=O 3888034 UWPFRDXXVMXESX-UHFFFAOYSA-N 185.227 -0.621 50 40 ABGB in-vitro NNC(=O)c1cc(Cl)cnc1N 95215846 KBUJHWYHHZWWDK-UHFFFAOYSA-N 186.602 -0.079 50 40 ABGB NNC(=O)CCS 5410869 ODRSRVOISOPFMY-UHFFFAOYSA-N 120.177 -0.704 50 40 ABGB in-vitro CN(C(=O)NN)c1cccnc1N 25628665 AJKKKNZVQPEVIZ-UHFFFAOYSA-N 181.199 -0.317 50 40 ABGB CC1CCN(CC(=O)NN)CC1 27345348 IUFQBZQCCJGZNA-UHFFFAOYSA-N 171.244 -0.292 50 40 ABGB CN(C)CCN=C=O 45206143 RWKVPOCZWXIRNE-UHFFFAOYSA-N 114.148 -0.116 50 40 ABGB CNC(=S)NNC(=O)C(C)C 6563604 UAIPEUWANDQQOG-UHFFFAOYSA-N 175.257 -0.233 50 40 ABGB CSc1ncc(C(=O)NN)cn1 223455832 XFEYPCWSVYNWMD-UHFFFAOYSA-N 184.224 -0.198 50 40 ABGB CN(C)/C=N/NC(=O)c1cc[nH]n1 1888959786 RPJFHKZVDGWCOW-WEVVVXLNSA-N 181.199 -0.356 50 40 ABGB CCN(CC)[C@@H](C)C(=O)NN 22538876 JRZKOMBOQGHJHX-LURJTMIESA-N 159.233 -0.293 50 40 ABGB N#CC1=C(N)C=C[C@@H](O)[C@H]1CO 104073877 RZECOLSAWDWSDK-POYBYMJQSA-N 166.180 -0.738 50 40 ABGB O=C(O)[C@@H](O)[C@@H](Cl)C(=O)O 1675900 RPYFCSSBCCDMQG-NCGGTJAESA-N 168.532 -0.876 50 40 ABGB CC(=O)[C@H](Cl)C(N)=O 100218455 AOOLFYMBFIGYDE-VKHMYHEASA-N 135.550 -0.332 50 40 ABGB Cc1ncc([N+](=O)[O-])n1CC(=O)NN 1445640 DTTPZBIQWGUPLM-UHFFFAOYSA-N 199.170 -0.910 50 40 ABGB CCOC(=O)N(CCO)[N+](=O)[O-] 1668625 CDECJLSOIORSIU-UHFFFAOYSA-N 178.144 -0.371 50 40 ABGB O=C(CO)N/N=C/c1ccco1 5580752 MXLFGXAKNALOBJ-XBXARRHUSA-N 168.152 -0.278 50 40 ABGB O=CC(C=O)=CO 137519055 IJHKKRQRUUQIJU-UHFFFAOYSA-N 100.073 -0.174 50 40 ABGB CNC(=O)C(=O)NNc1ccccc1 1597738 RTVMQPPMNDAQMS-UHFFFAOYSA-N 193.206 -0.124 50 40 ABGB COc1ccc(OC)c(B(O)O)c1F 307532900 ZYIRUPNSDJXFPM-UHFFFAOYSA-N 199.974 -0.477 50 40 ABGB N#CCCN(C=O)N(C=O)CCC#N 3130002 KYJYUKLSHRXMJM-UHFFFAOYSA-N 194.194 -0.354 50 40 ABGB C[C@H]1CC(C#N)=C(NC#N)NC1=O 5766296 QULRWWZJWATPRL-YFKPBYRVSA-N 176.179 -0.052 50 40 ABGB Cc1cc(C=O)cc(C)c1B(O)O 169994362 MGJJTEKBMONTCP-UHFFFAOYSA-N 177.996 -0.204 50 40 ABGB in-vitro N[C@@]1(CSS(=O)(=O)O)CCN1 19319605 DVDJAMHPAKRYCC-BYPYZUCNSA-N 198.269 -0.829 50 40 ABGB C[C@H](NC[C@@H]1CCCO1)C(=O)NN 22538914 UGRSXLGOZPVWAG-BQBZGAKWSA-N 187.243 -0.867 50 40 ABGB CC(=O)NNc1nc(C)cc(=O)[nH]1 8613138 HSQHYGMRVXMHAW-UHFFFAOYSA-N 182.183 -0.459 50 40 ABGB CN(C)CCNC(=O)CCl 22221718 AWXVFQFXKBQHHU-UHFFFAOYSA-N 164.636 -0.097 50 40 ABGB in-vitro OB(O)c1cc(F)c2[nH]ccc2c1 199060500 OLFAOZWEUQTLNT-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB Cc1ncc(CC(=O)NN)s1 3246479 GGPNNXCBJKYINC-UHFFFAOYSA-N 171.225 -0.016 50 40 ABGB CCOC(=O)NNC1=CC(=O)OC1 6594960 WYEICZKAJMWDRN-UHFFFAOYSA-N 186.167 -0.322 50 40 ABGB O=C1OC(=O)C2=C1[C@H]1C=C[C@H]2O1 100494213 GUXFBTSMGPMSKL-QWWZWVQMSA-N 164.116 -0.296 50 40 ABGB Cc1ccc(B(O)O)c(C=O)c1F 169995241 UMRRBNLPJKNGMZ-UHFFFAOYSA-N 181.959 -0.374 50 40 ABGB in-vitro O=C1NN[C@H](Br)C(=O)N1 95917963 ZXMYUJOXVRRCDC-SFOWXEAESA-N 193.988 -0.949 50 40 ABGB O=C1C=C(B(O)O)CCC1 238607055 GHOQHNMWHFFTFZ-UHFFFAOYSA-N 139.947 -0.322 50 40 ABGB Cc1cc(F)c(C=O)c(B(O)O)c1 642814156 GXBGICGZKIPVBE-UHFFFAOYSA-N 181.959 -0.374 50 40 ABGB NNC(=O)Cc1ccc(O)c(N)c1 32911406 ISHGZQJUJHROCS-UHFFFAOYSA-N 181.195 -0.493 50 40 ABGB CC1=NNC(=O)[C@@H]1C[C@@H](C)C(=O)NN 100743309 SFKWVASKJRARQT-INEUFUBQSA-N 198.226 -0.876 50 40 ABGB CCNC(=O)NNC(=O)OCC 2522194 JXTPVGITYPNIMV-UHFFFAOYSA-N 175.188 -0.033 50 40 ABGB NCCCC[C@@H]1NC(=O)OC1=O 100389798 FCATYYOPYTXOIZ-YFKPBYRVSA-N 172.184 -0.250 50 40 ABGB Cc1nc(OC(C)C)ccc1B(O)O 169995477 ZWVRPRGIYXIPRM-UHFFFAOYSA-N 195.027 -0.143 50 40 ABGB NCCSSC[C@H](N)C(=O)O 1623380 WYQFVGPQTGCDJH-BYPYZUCNSA-N 196.297 -0.262 50 40 ABGB in-vitro COC/C=C/B(O)O 195811948 IIPMDPYJIRRSHW-NSCUHMNNSA-N 115.925 -0.799 50 40 ABGB in-vitro Cc1cc[n+]([O-])cc1C(=O)NN 3847499 FSAQRJICRNENMK-UHFFFAOYSA-N 167.168 -0.768 50 40 ABGB CC(=O)NNC(=O)C(Cl)Cl 1557356 MZKQUEAQYICMQN-UHFFFAOYSA-N 185.010 -0.043 50 40 ABGB NC(=O)C(=O)NNc1ccccc1 1599333 LKVPXMAOBUCVKW-UHFFFAOYSA-N 179.179 -0.385 50 40 ABGB Cc1cnn([C@H](C)C(=O)NN)c1 2549509 WEHLEXUDQFKQLS-ZCFIWIBFSA-N 168.200 -0.258 50 40 ABGB O=C1OC(=O)[C@H]2C[C@H]3O[C@@H]3C[C@H]12 100494448 RWBDEZMVCHLSJR-UNTFVMJOSA-N 168.148 -0.137 50 40 ABGB NC(N)=Nc1nc(CCl)no1 5287489 IPOXPXHQMSEBFF-UHFFFAOYSA-N 175.579 -0.287 50 40 ABGB N#C/C=C/C([N+](=O)[O-])[N+](=O)[O-] 104046546 GMAJDCXVCNYKBC-OWOJBTEDSA-N 157.085 -0.054 50 40 ABGB CNC(=O)NC(=O)CCl 3286658 HZVMNAXEPPKXLS-UHFFFAOYSA-N 150.565 -0.319 50 40 ABGB in-vitro C[Si](C)(O)O 195751456 XCLIHDJZGPCUBT-UHFFFAOYSA-N 92.170 -0.327 50 40 ABGB in-vitro NNC(=O)C(=O)NC1CCCCC1 2577639 UYXGUXLKSXMTAF-UHFFFAOYSA-N 185.227 -0.575 50 40 ABGB COc1ccc(C(=O)NN)cc1N 104562285 TVUXRFDIXMUZOD-UHFFFAOYSA-N 181.195 -0.119 50 40 ABGB C[C@@H]1C[C@H]1C(=O)NN 2000393 YJBPEAHLEMYMEC-QWWZWVQMSA-N 114.148 -0.368 50 40 ABGB in-vitro O=C(O)CCNC(=O)CCl 2168921 BEJUGFDJTBNLPO-UHFFFAOYSA-N 165.576 -0.184 50 40 ABGB CCOC(=O)/C(C#N)=C\N 100914023 LJFFRQTXGJMKDQ-HYXAFXHYSA-N 140.142 -0.084 50 40 ABGB N#CC(C#N)=C1NCCO1 2519522 LDCGAHZJFZTBPD-UHFFFAOYSA-N 135.126 -0.135 50 40 ABGB CC(C)C[C@H](N)B(O)O 195762782 BMGMQYRPZOGZFU-YFKPBYRVSA-N 130.984 -0.628 50 40 ABGB in-vitro OB(O)c1cnn2ccsc12 238638208 BBYDBPIFFMRVDW-UHFFFAOYSA-N 167.986 -0.924 50 40 ABGB OB(O)C12C3C4C5C3C1C5C42 585669954 DJUYKYFTUWKDEO-UHFFFAOYSA-N 147.970 -0.419 50 40 ABGB Cc1cnn([C@@H](C)C(=O)NN)c1 2732077 WEHLEXUDQFKQLS-LURJTMIESA-N 168.200 -0.258 50 40 ABGB CN(C=O)/C=C1/C[C@H](OO)NC1=O 104115433 XTBMCPDNUBTEMZ-LMXCLXGDSA-N 186.167 -0.706 50 40 ABGB OC[C@H](O)COCCCl 104724988 SDMXVVZGHRIKTG-YFKPBYRVSA-N 154.593 -0.405 50 40 ABGB COCc1ccc(OC)c(B(O)O)c1 203174627 FOXBMKOGKFITFF-UHFFFAOYSA-N 196.011 -0.479 50 40 ABGB NNC(=O)CC1CCNCC1 20160729 BMNYOKDCUXZGCL-UHFFFAOYSA-N 157.217 -0.634 50 40 ABGB CCc1cc(B(O)O)ccc1O 238309943 FUCKYGXSEBDTGO-UHFFFAOYSA-N 165.985 -0.366 50 40 ABGB O=C1C=C(O)CC(=O)O1 100257545 HOTUFNXGGMAKEH-UHFFFAOYSA-N 128.083 -0.098 50 40 ABGB O=NN(CCF)C(=O)NCCO 5459550 VXNJKAJSDRUFMZ-UHFFFAOYSA-N 179.151 -0.359 50 40 ABGB CC(=O)N1CC=C(B(O)O)CC1 198039337 UZTQRIAEVDHZBR-UHFFFAOYSA-N 168.989 -0.823 50 40 ABGB OB(O)c1cc(C2CC2)cnc1F 238640730 XNCUOEUFANNTBY-UHFFFAOYSA-N 180.975 -0.222 50 40 ABGB CC(=O)N/N=C(\C)c1nnn(C)c1C 1417920 OMPNRCDHAXOAAI-WEVVVXLNSA-N 195.226 -0.016 50 40 ABGB CSCC(=O)NN 39263102 MUTXMAOCENBWSX-UHFFFAOYSA-N 120.177 -0.661 50 40 ABGB in-vitro CN1CCN(/C(N)=C/C#N)CC1 169656 GVRAOYISBLEJMN-KRXBUXKQSA-N 166.228 -0.443 50 40 ABGB CC(C)NC(=S)NNC(N)=O 5452601 SZKUMMZSFYRGKC-UHFFFAOYSA-N 176.245 -0.558 50 40 ABGB N[C@@H](CCC(=O)CCl)C(=O)O 26673531 QDTBRNQZSXRTPI-YFKPBYRVSA-N 179.603 -0.014 50 40 ABGB O=c1[nH]cc(N=C=S)c(=O)[nH]1 1598890 NFKMDNBGXPAUCM-UHFFFAOYSA-N 169.165 -0.203 50 40 ABGB O=[N+]([O-])C[C@H](O)CCl 2042260 GHOZXWSYKQABAS-GSVOUGTGSA-N 139.538 -0.137 50 40 ABGB CO[C@H]1O[C@@H](OC)[C@@H](Cl)[C@@H]1O 59991001 IGTDZTDSUCGBCP-AZGQCCRYSA-N 182.603 -0.070 50 40 ABGB CCNC(=O)NNC(=O)NCC 2170662 LZPXYVHKMIWJOD-UHFFFAOYSA-N 174.204 -0.460 50 40 ABGB Cn1cc([C@H](O)C#N)nn1 103672979 FOROSHFKDQTKCQ-RXMQYKEDSA-N 138.130 -0.628 50 40 ABGB [C-]#[N+]CC(=O)N1CCN(C)CC1 104405698 MILFKCBKYQQRHW-UHFFFAOYSA-N 167.212 -0.320 50 40 ABGB C=CCN(C=O)NC=O 2387407 DQMKUGFVTHUUDL-UHFFFAOYSA-N 128.131 -0.708 50 40 ABGB O=C=NCN1C(=O)CCNC1=O 32005299 VDYNOGNSJXTLJL-UHFFFAOYSA-N 169.140 -0.778 50 40 ABGB in-vitro Cn1ncc2c1C[C@@H](C(=O)NN)CC2 575425292 SSRJVPOWQHEZTN-LURJTMIESA-N 194.238 -0.485 50 40 ABGB NC(=O)NNC(=O)c1cccnc1 4592702 SAZRDMBNSXYCLJ-UHFFFAOYSA-N 180.167 -0.605 50 40 ABGB CC(=O)N[C@@H](C)/C(C)=N/NC(N)=O 16943461 YGWICYYBFINLPM-OYYZZMOLSA-N 186.215 -0.445 50 40 ABGB NNC(=O)[C@H]1CCc2oncc2C1 575424828 OJUSJABUIBICAU-YFKPBYRVSA-N 181.195 -0.231 50 40 ABGB CN1CC(N)=C(C#N)C1 96526606 DDLWZSFJIRREQD-UHFFFAOYSA-N 123.159 -0.332 50 40 ABGB OB(O)c1cc(F)cc2[nH]ccc12 238618140 ABQHPEFRDYQWDQ-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB CC(=O)[C@@H](Cl)C(N)=O 100218457 AOOLFYMBFIGYDE-GSVOUGTGSA-N 135.550 -0.332 50 40 ABGB CNP(=O)(NC)NC 95670499 WFIPYARNKIWELZ-UHFFFAOYSA-N 137.123 -0.247 50 40 ABGB NNC(=O)c1ccnc(F)c1F 575597774 ZOQIRDDWHFWFAE-UHFFFAOYSA-N 173.122 -0.037 50 40 ABGB Cc1nn(C)c(C)c1C(=O)NN 1383733 BQCCNZILZPMIHS-UHFFFAOYSA-N 168.200 -0.360 50 40 ABGB CC(C)CNC(=O)NN 36948162 WJBSWVUVFXMIBD-UHFFFAOYSA-N 131.179 -0.185 50 40 ABGB C[C@H](Cl)C(=O)NCCO 40432171 SQZKNEFDRPEFEW-BYPYZUCNSA-N 151.593 -0.278 50 40 ABGB CCOC(=O)/C=C/B(O)O 169996232 ZEFYTFQUBRZHRZ-ONEGZZNKSA-N 143.935 -0.882 50 40 ABGB OB(O)c1cnc(Cl)nc1Cl 199095744 CPOWKKAKGTWDJC-UHFFFAOYSA-N 192.798 -0.537 50 40 ABGB CC(=O)NNc1cc(C)nc(N)n1 349076 RTRKCYCAGFJEGF-UHFFFAOYSA-N 181.199 -0.170 50 40 ABGB O=C(CCl)N1C(=O)CCC1=O 2508149 JXNOBCAJHPSWSV-UHFFFAOYSA-N 175.571 -0.099 50 40 ABGB Cc1cnn(CC(=O)NN)c1 2549482 GMFBGQRLQKYAPC-UHFFFAOYSA-N 154.173 -0.819 50 40 ABGB CCc1cc(B(O)O)ccc1OC 203565669 OMAZGRPOBAPVHB-UHFFFAOYSA-N 180.012 -0.063 50 40 ABGB in-vitro CC[N+](CC)(CC)CC(=O)NN 1857795422 YFTSCUPQKYOWQW-UHFFFAOYSA-O 174.268 -0.147 50 40 ABGB NNC(=O)c1cccnc1N 20443361 FPRGDDUFZBEHLK-UHFFFAOYSA-N 152.157 -0.733 50 40 ABGB CCOC(=O)/C=C/C(=O)NN 1562557 NXCZBIXOWYJRGD-ONEGZZNKSA-N 158.157 -0.904 50 40 ABGB CO[C@@H]1C[C@@H](NC(C)=O)C=C(C=O)O1 5431199 YWTANJPZRFDTND-CBAPKCEASA-N 199.206 -0.033 50 40 ABGB C[C@@H](C(=O)NN)N1CCCCC1 30769438 RFSJNBZHKWMQIM-ZETCQYMHSA-N 171.244 -0.149 50 40 ABGB CN(C)/C=C(/C#N)C(N)=O 32625238 XNZBBRSOQRITIK-PLNGDYQASA-N 139.158 -0.559 50 40 ABGB Cn1ccc2c(B(O)O)cncc21 953107782 TYWSEVKSDIIONO-UHFFFAOYSA-N 175.984 -0.747 50 40 ABGB CC(=O)NC(=O)CCl 3249591 AYETZOVOIOQESV-UHFFFAOYSA-N 135.550 -0.112 50 40 ABGB in-vitro O=C(CO)OCCCl 34115189 KOOPGSDTMDXWTG-UHFFFAOYSA-N 138.550 -0.239 50 40 ABGB CC(C)N1C[C@H](C(=O)NN)CC1=O 36963065 MOEWIWWNEASKIH-ZCFIWIBFSA-N 185.227 -0.767 50 40 ABGB Cc1ncccc1C(=O)NN 39064705 YQSHPGUURTXVDV-UHFFFAOYSA-N 151.169 -0.006 50 40 ABGB in-vitro N#CC1=CC=C[C@H](O)[C@@H]1O 33364614 NKIDLXZFLYJKGO-NKWVEPMBSA-N 137.138 -0.272 50 40 ABGB Cc1cc(B(O)O)cc(C)c1C(=O)O 238453849 HJLUANNLNZGPBH-UHFFFAOYSA-N 193.995 -0.319 50 40 ABGB OB(O)c1ccc(F)o1 307380750 YPYCAVJCKOXLPA-UHFFFAOYSA-N 129.883 -0.902 50 40 ABGB O=C(Cl)CN1C(=O)CCC1=O 26423460 BQPAOWVNIXJERC-UHFFFAOYSA-N 175.571 -0.099 50 40 ABGB CCOC(=O)/C(C)=N/NC(N)=O 4100266 HVFVGYAKDVKQEB-XBXARRHUSA-N 173.172 -0.406 50 40 ABGB O=P(O)(O)OC[C@@H](O)CCl 5046420 SQPBDQRPUZEAQD-VKHMYHEASA-N 190.519 -0.305 50 40 ABGB NCC(=O)N1CC[C@@H](Cl)C1 79390764 XHHDZZUORDRWJM-RXMQYKEDSA-N 162.620 -0.215 50 40 ABGB NNC(=O)C(=O)Nc1ccccc1F 15014096 IUGUSWVVLRRHQH-UHFFFAOYSA-N 197.169 -0.246 50 40 ABGB CC[C@@H](C(=O)NN)N(C)C 22538970 OFTBJAWUKMETNT-YFKPBYRVSA-N 145.206 -0.684 50 40 ABGB NNC(=O)Cn1cccc1 255187212 BXNNVXKSVLLWLE-UHFFFAOYSA-N 139.158 -0.522 50 40 ABGB O=COO 64622609 SCKXCAADGDQQCS-UHFFFAOYSA-N 62.024 -0.368 50 40 ABGB in-vitro COc1c(F)ccc(B(O)O)c1OC 307531658 WBDNGHQQERYTBH-UHFFFAOYSA-N 199.974 -0.477 50 40 ABGB in-vitro NNC(=O)c1cncc(O)c1 251633 OLOBXYMJLZJQQF-UHFFFAOYSA-N 153.141 -0.609 50 40 ABGB C[C@H](Sc1ncn[nH]1)C(=O)NN 16322352 GPXHBLLOPIRKFX-VKHMYHEASA-N 187.228 -0.725 50 40 ABGB CC(C)(C)NNC(N)=O 104147762 DNXZGSAWQFFROP-UHFFFAOYSA-N 131.179 -0.042 50 40 ABGB C[C@H](O)[C@H](Cl)S(C)(=O)=O 96518892 OVHXHFSFZWLDCV-IUYQGCFVSA-N 172.633 -0.023 50 40 ABGB O=C(CCl)NO 39223135 BHBUDNVRUZODMJ-UHFFFAOYSA-N 109.512 -0.269 50 40 ABGB O=C(CF)OC(=O)CF 85763197 KLLYGDXCCNXESW-UHFFFAOYSA-N 138.069 -0.005 50 40 ABGB NNC(=O)c1ccn2ccnc2c1 72190685 VXJBLZXLLRYHPD-UHFFFAOYSA-N 176.179 -0.062 50 40 ABGB Cc1ccnn1[C@@H](C)C(=O)NN 2732053 XGZISFFLQRZHTO-LURJTMIESA-N 168.200 -0.258 50 40 ABGB CS(=O)(=O)SC[C@@H](N)C(=O)O 8238024 WQGAHEAQVIFZHB-GSVOUGTGSA-N 199.253 -0.909 50 40 ABGB NNC(=O)NC1CC1 36948161 IIMMKVNMNLSGOZ-UHFFFAOYSA-N 115.136 -0.678 50 40 ABGB O=Cc1cc(B(O)O)cc(F)c1F 169995125 UZXWYGACIABDHY-UHFFFAOYSA-N 185.922 -0.543 50 40 ABGB N#CC1=C(N)N2CCC[C@H]2C1=O 14241057 FBCQNOAPCDHJGE-LURJTMIESA-N 163.180 -0.273 50 40 ABGB COc1nc(C)nc(NC(=O)NN)n1 4134810 ZCDBJRMJXBSDLD-UHFFFAOYSA-N 198.186 -0.816 50 40 ABGB N#C/C(N=O)=C(/N)O 111474472 IRRDCDYVIBFBDP-NSCUHMNNSA-N 113.076 -0.038 50 40 ABGB CC(=O)N1CC(N)=C(C#N)C1 39592 FDUGIQHADKXDKM-UHFFFAOYSA-N 151.169 -0.415 50 40 ABGB C[C@@H](Cl)C(=O)NCCO 40432172 SQZKNEFDRPEFEW-SCSAIBSYSA-N 151.593 -0.278 50 40 ABGB N#CCN=C=O 169002349 ZDWVJYRUMXFJOU-UHFFFAOYSA-N 82.062 -0.154 50 40 ABGB CCOc1ccc(B(O)O)c(C)n1 169995466 DGYSVJLCCSUTNY-UHFFFAOYSA-N 181.000 -0.531 50 40 ABGB in-vitro O=C1NCC[C@@H](O)[C@H]1Cl 13386279 DYKPLOLHTPIGQK-QWWZWVQMSA-N 149.577 -0.525 50 40 ABGB biogenic O=C1OC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]12 100025306 QQYNRBAAQFZCLF-OMMKOOBNSA-N 166.132 -0.361 50 40 ABGB NNC(=O)c1ccnc(F)c1 1563459 VYNMVVHQLHUXOK-UHFFFAOYSA-N 155.132 -0.176 50 40 ABGB CCSCC(=O)NN 2024415 XMLACOSWPFOFJV-UHFFFAOYSA-N 134.204 -0.271 50 40 ABGB NNC(=O)CCNC1CCCC1 58840101 NNIOTCHAHHNELI-UHFFFAOYSA-N 171.244 -0.101 50 40 ABGB NNC(=O)[C@H]1CNc2ccccc2N1 223069932 KDULKADBFCAJEQ-MRVPVSSYSA-N 192.222 -0.118 50 40 ABGB O=C(O)[C@@H](Cl)[C@H](O)C(=O)O 1675901 RPYFCSSBCCDMQG-LWMBPPNESA-N 168.532 -0.876 50 40 ABGB OB(O)c1cncc2cc[nH]c12 169989224 VSQKSNSSNWFKKP-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB C=CCN1NC(C#N)=C(N)OC1=O 4722354 IYRHMFCUMYQSJS-UHFFFAOYSA-N 180.167 -0.219 50 40 ABGB O=C=NC1(C(=O)O)CC1 104732047 VUWPZPFETKZEIW-UHFFFAOYSA-N 127.099 -0.061 50 40 ABGB O=C1N[C@@H](Cn2cccn2)C(=O)O1 1772714732 OHKQEOFKNSKQGK-YFKPBYRVSA-N 181.151 -0.482 50 40 ABGB CS(=O)(=O)O/C=C(/C#N)C(=O)O 1707265 ADSRTBOQNQSBAI-ARJAWSKDSA-N 191.164 -0.545 50 40 ABGB Cc1cncn1CCC(=O)NN 32920056 IXWPRUCDCQSIDW-UHFFFAOYSA-N 168.200 -0.428 50 40 ABGB Cn1ncc2c1CC[C@@H](C(=O)NN)C2 575422356 BMCFNESPUCCRTM-ZCFIWIBFSA-N 194.238 -0.485 50 40 ABGB CC(=O)Nc1ccc(B(O)O)c(C)c1 169856070 FUXZNWRIDFSERI-UHFFFAOYSA-N 193.011 -0.367 50 40 ABGB CCN(CC)[C@H](C)C(=O)NN 22538879 JRZKOMBOQGHJHX-ZCFIWIBFSA-N 159.233 -0.293 50 40 ABGB Cn1cc(C(F)(F)F)c(B(O)O)n1 953059400 AFNYKDAJGVRKTI-UHFFFAOYSA-N 193.921 -0.881 50 40 ABGB CCOC(CC(=O)NN)OCC 2154456 PUCNEMFNMYHIRR-UHFFFAOYSA-N 176.216 -0.235 50 40 ABGB OB(O)c1ccc(C2OCCO2)o1 202447263 DBOJPJQPFNCNTH-UHFFFAOYSA-N 183.956 -0.995 50 40 ABGB OB(O)c1cc(O)cc2c1N=CCC2 307524253 FKHOMUWRCDZPSH-UHFFFAOYSA-N 190.995 -0.280 50 40 ABGB NC(=O)NC(=O)[C@H](Cl)[N+](=O)[O-] 106126979 SCADSDMPZKQMOV-PVQJCKRUSA-N 181.535 -0.977 50 40 ABGB O=C(O)[C@H](O)[C@H](Cl)C(=O)O 1675899 RPYFCSSBCCDMQG-NHYDCYSISA-N 168.532 -0.876 50 40 ABGB CCOC(=O)NNC(N)=S 5575025 BRZPYIOLBLFJIY-UHFFFAOYSA-N 163.202 -0.519 50 40 ABGB COc1cc(C=O)cc(F)c1B(O)O 169995038 LFDGFTBBTUZNGW-UHFFFAOYSA-N 197.958 -0.673 50 40 ABGB N#C/C(=C\N1CCOCC1)C(N)=O 493085 LLKCXVWITGBXLG-VOTSOKGWSA-N 181.195 -0.789 50 40 ABGB O=C(O)C(Cl)C(=O)O 1724772 AFXWHCJMTLWFKF-UHFFFAOYSA-N 138.506 -0.237 50 40 ABGB OCc1ccc(B(O)O)c(F)c1F 169994676 DISWKAIUDZCVHF-UHFFFAOYSA-N 187.938 -0.863 50 40 ABGB in-vitro COC(=O)N(C)[N+](=O)[O-] 1646520 SCASXMBTFPUSSI-UHFFFAOYSA-N 134.091 -0.124 50 40 ABGB COCCc1ccc(C(=O)NN)[nH]1 226031073 TXPLASHLJKBXNL-UHFFFAOYSA-N 183.211 -0.193 50 40 ABGB N#Cc1cc(C#N)cc(B(O)O)c1 203566816 XNHAOCLTPNZEFX-UHFFFAOYSA-N 171.952 -0.890 50 40 ABGB in-vitro O=CN1CCN(C(=O)CCl)CC1 3268204 JNUUHIJMBNNNIV-UHFFFAOYSA-N 190.630 -0.474 50 40 ABGB CO[P@](=O)(O)CCC(=O)NN 5743422 PAVKTRRAXKDBSB-UHFFFAOYSA-N 182.116 -0.802 50 40 ABGB COC(=O)/C(C#N)=C(/C)N 5072546 VQWOLBQHRRRDNC-PLNGDYQASA-N 140.142 -0.084 50 40 ABGB CCC(=O)NNC(=O)/C=C\C(=O)O 100779825 LEABXWUDWYLKMR-ARJAWSKDSA-N 186.167 -0.815 50 40 ABGB N#CCNC=C(C=O)C=O 1738811153 WUEXTESDCSOZJR-UHFFFAOYSA-N 138.126 -0.619 50 40 ABGB N#C/C(C=O)=C\N 104635404 LOFUZRUXVYHVQW-DAFODLJHSA-N 96.089 -0.449 50 40 ABGB OB(O)c1cnc2cc[nH]c2c1 169989527 IDRZVSHODUJUIL-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB CS(=O)(=O)SCCO 2569534 AGPKHLPHPSLRED-UHFFFAOYSA-N 156.228 -0.329 50 40 ABGB in-vitro CNC[Si](OC)(OC)OC 196668409 LYYRKPJYLHHZMR-UHFFFAOYSA-N 165.265 -0.377 50 40 ABGB NNC(=O)N/N=C/c1cccc(O)c1 1592768 HYFHIDLHNNZKJR-BJMVGYQFSA-N 194.194 -0.101 50 40 ABGB CC(C)(C)NCCC(=O)NN 19736890 MNVDWSXWZIODSS-UHFFFAOYSA-N 159.233 -0.246 50 40 ABGB COCC(=O)OC(=O)COC 100004193 PEHFQQWAINXOQG-UHFFFAOYSA-N 162.141 -0.651 50 40 ABGB N=C(N[N+](=O)[O-])N(CCCl)N=O 4537422 FFEKCHZAPPEOBH-UHFFFAOYSA-N 195.566 -0.075 50 40 ABGB NC(=O)C(=O)N/N=C/c1ccccn1 6342834 RGLUARWBVAUNGF-VZUCSPMQSA-N 192.178 -0.983 50 40 ABGB CC(=O)Nc1cc(F)ccc1B(O)O 169808930 ZLPVQZXUYNKBNO-UHFFFAOYSA-N 196.974 -0.536 50 40 ABGB OB(O)c1ccc(-c2ncc[nH]2)cc1 169809847 GQGOGLFEPGIFKJ-UHFFFAOYSA-N 187.995 -0.244 50 40 ABGB in-vitro CCN(CC)c1cnc(B(O)O)cn1 198083702 IOWBPZWEDGMWOA-UHFFFAOYSA-N 195.031 -0.997 50 40 ABGB N=C(N)NCC[C@@H](Cl)C(=O)O 1584495 LALXHKNEKFWKDA-GSVOUGTGSA-N 179.607 -0.448 50 40 ABGB N#CC1=C(N)N2CSC[C@@H]2C1=O 100642587 RLKDOPAFHDECCU-RXMQYKEDSA-N 181.220 -0.362 50 40 ABGB C[C@@H](CC(=O)NN)n1cncn1 28051432 FPYLDCZNWOPYJP-YFKPBYRVSA-N 169.188 -0.781 50 40 ABGB COc1nc[nH]c1C(=O)NN 95117340 IWLFGKGKRWEHMK-UHFFFAOYSA-N 156.145 -0.978 50 40 ABGB OC[C@@H](O)COCCCl 104724985 SDMXVVZGHRIKTG-RXMQYKEDSA-N 154.593 -0.405 50 40 ABGB CSc1cncc(B(O)O)c1C 725343419 ZVJVNKSRLLJHBA-UHFFFAOYSA-N 183.041 -0.208 50 40 ABGB NNC(=O)c1ccc([N+](=O)[O-])cc1N 45808 WSMZWCHQWJBLIP-UHFFFAOYSA-N 196.166 -0.220 50 40 ABGB O=C(CO)N/N=C/c1ccc(O)cc1 58885438 ZCDAMWUITXINLL-BJMVGYQFSA-N 194.190 -0.165 50 40 ABGB NNC(=O)c1cccc(O)c1O 28966883 DMYJOOWXTBSSRB-UHFFFAOYSA-N 168.152 -0.299 50 40 ABGB CC(=O)OC[C@@](C)(O)C#N 104177735 RGCYRXHJSPIGGU-LURJTMIESA-N 143.142 -0.176 50 40 ABGB C[C@H](Cl)C(=O)NC(C)(CO)CO 58853799 WMTXEGLTFXROTO-YFKPBYRVSA-N 195.646 -0.527 50 40 ABGB CC(=O)N/N=C(\N)CCl 113449467 HJKAHWHWFJKVGG-UHFFFAOYSA-N 149.581 -0.367 50 40 ABGB N#Cc1ccc(OCC(=O)NN)cc1 3268685 FTDADGZSZWFRFA-UHFFFAOYSA-N 191.190 -0.073 50 40 ABGB in-vitro O=C(NNC(=O)C1CC1)C1CC1 307746493 VORONKNVJCYNPI-UHFFFAOYSA-N 168.196 -0.046 50 40 ABGB CC(C)OC(=O)NN 1668641 PHHLRHSOQWTNBH-UHFFFAOYSA-N 118.136 -0.005 50 40 ABGB in-vitro CCCNC(=O)NN 36948151 JVQWYTBVNPMEAH-UHFFFAOYSA-N 117.152 -0.431 50 40 ABGB in-vitro O=C(CBr)NCO 96031262 SJYLPGUDCXMZQO-UHFFFAOYSA-N 167.990 -0.553 50 40 ABGB in-vitro NC(=O)CSS(=O)(=O)O 4016338 WDTBSUHNRDDBAF-UHFFFAOYSA-N 171.199 -0.992 50 40 ABGB O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2O1 8100962 QQYNRBAAQFZCLF-GUCUJZIJSA-N 166.132 -0.361 50 40 ABGB CCOc1cc(OC)cc(B(O)O)c1 642814613 MVQPNPUVNUEEON-UHFFFAOYSA-N 196.011 -0.226 50 40 ABGB NCC[C@H](Cl)C[C@@H](N)C(=O)O 13511344 RARMVOFXKPZWMG-CRCLSJGQSA-N 180.635 -0.255 50 40 ABGB COCC(=O)NNC(=O)CCl 95347602 CDGPACYNMOSKJQ-UHFFFAOYSA-N 180.591 -0.981 50 40 ABGB in-vitro COC(=O)/C(C#N)=C1\CC[C@H](O)N1 31830045 VOCHFQKUSYTHMM-XPPMVYLVSA-N 182.179 -0.361 50 40 ABGB NNC(=O)CCNC[C@H]1CCCO1 19736910 PNIGKZNIOUEGGC-SSDOTTSWSA-N 187.243 -0.865 50 40 ABGB C[C@](O)(C#N)CCC(N)=O 104340952 OQPGNUBQHGQOKU-ZCFIWIBFSA-N 142.158 -0.474 50 40 ABGB COC(=O)NNC(=O)O 95080569 UXSCUOGJSRTIAC-UHFFFAOYSA-N 134.091 -0.475 50 40 ABGB CC(C)NC(=O)N/C=C(/C#N)C(N)=O 100238543 BRULNFQXZCEGNF-XQRVVYSFSA-N 196.210 -0.413 50 40 ABGB COC(=O)C(=O)[C@H](Cl)C(C)=O 100501711 BPWBJRVOOUFCRG-SCSAIBSYSA-N 178.571 -0.075 50 40 ABGB [C-]#[N+]CC(=O)N1CCOCC1 104404988 NFXRGAXRBOBIEQ-UHFFFAOYSA-N 154.169 -0.236 50 40 ABGB OB(O)c1[nH]nc2ccccc12 198232911 SVPIPQBENYTIMD-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB N=C(N)NNC(=O)c1ccccc1 1627097 GNSLIAZAWYIOOE-UHFFFAOYSA-N 178.195 -0.186 50 40 ABGB N#C/C=C\C(N)=O 17284976 PKZVBYCWPSVUMT-UPHRSURJSA-N 96.089 -0.449 50 40 ABGB COc1cc(B(O)O)cc(C)n1 203687186 ZIWIJZVFBWGBJZ-UHFFFAOYSA-N 166.973 -0.922 50 40 ABGB COc1c(C)cc(B(O)O)cc1C=O 642814484 JNGRWCFPRBLQFM-UHFFFAOYSA-N 193.995 -0.504 50 40 ABGB OB(O)c1c[nH]c2cnccc12 169909883 QKBURKIYALPNPW-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB N#CC(C#N)=CNN 1708045 DOSAAZOHAQBPIM-UHFFFAOYSA-N 108.104 -0.619 50 40 ABGB COC(=O)CNC(=O)[C@H](C)Cl 19441910 QPEUVMOYQJAZJG-BYPYZUCNSA-N 179.603 -0.097 50 40 ABGB in-vitro C[C@@H](CN1CCCC1)C(=O)NN 2653958 UVZPWAYMBVPOGK-ZETCQYMHSA-N 171.244 -0.292 50 40 ABGB NNC(=O)CNC(=O)C1CCCCC1 6293102 LNVKWEFBPODUTH-UHFFFAOYSA-N 199.254 -0.327 50 40 ABGB O=CNNC(=S)NC1CC1 16957709 ZYDAPYMEFSCZJS-UHFFFAOYSA-N 159.214 -0.726 50 40 ABGB CCOC(=O)/C=C\C(=O)NN 104193113 NXCZBIXOWYJRGD-ARJAWSKDSA-N 158.157 -0.904 50 40 ABGB CO[C@@H](CO)[C@H](Br)CO 95080178 UHKBTDWTYPQWLS-UHNVWZDZSA-N 199.044 -0.251 50 40 ABGB in-vitro CN(C)NC(=O)c1cnsn1 6145045 SZMUIZFLFKRNNQ-UHFFFAOYSA-N 172.213 -0.256 50 40 ABGB O=[N+]([O-])/N=C1\NCCN1CCCl 31924335 UZVSHCNZHUESBZ-UHFFFAOYSA-N 192.606 -0.322 50 40 ABGB O=C1N[C@H](Cn2cccn2)C(=O)O1 1772714731 OHKQEOFKNSKQGK-RXMQYKEDSA-N 181.151 -0.482 50 40 ABGB O=C1CNC(=O)N1CCCl 1678545 MYTSAKIZDHFOMB-UHFFFAOYSA-N 162.576 -0.223 50 40 ABGB in-vitro NNC(=O)CNC(=O)c1cccs1 340264 HGCJMJNFNMTOJX-UHFFFAOYSA-N 199.235 -0.532 50 40 ABGB in-vitro NNC(=O)c1cnc(C2CC2)nc1 223456412 XYULKNSNOMVOHN-UHFFFAOYSA-N 178.195 -0.043 50 40 ABGB OC[C@@H]1COCCN1CCCl 159223676 BJQIBWVDDWPTPW-SSDOTTSWSA-N 179.647 -0.082 50 40 ABGB NNC(=O)C(=O)Nc1ccc(F)cc1 1574629 OOCZYNXLBRXYKE-UHFFFAOYSA-N 197.169 -0.246 50 40 ABGB NS(=O)(=O)[C@H]1CC[C@H](Cl)NC1 31738418 WDRSXOHMSMRESG-CRCLSJGQSA-N 198.675 -0.408 50 40 ABGB O=[N+]([O-])C=Cc1ccc(B(O)O)cc1 1857622297 GMEGTAODWQPCOD-UHFFFAOYSA-N 192.967 -0.386 50 40 ABGB CN1CCC[C@H](C(=O)NN)C1 500487 JMALQQIOYGEEAO-LURJTMIESA-N 157.217 -0.682 50 40 ABGB CCOC(=O)/C(C)=N\NC(N)=O 17323635 HVFVGYAKDVKQEB-YWEYNIOJSA-N 173.172 -0.406 50 40 ABGB CCC[C@@H](C(=O)NN)N(C)C 22123553 JPZNODUKAAZTPH-LURJTMIESA-N 159.233 -0.293 50 40 ABGB CC(=O)OC=O 100623869 ORWKVZNEPHTCQE-UHFFFAOYSA-N 88.062 -0.294 50 40 ABGB NNC(=O)NC[C@H]1CCCO1 36948145 OKUPKNBPTNTTKA-RXMQYKEDSA-N 159.189 -0.662 50 40 ABGB CC1=NNC(=O)[C@H]1C[C@@H](C)C(=O)NN 100743310 SFKWVASKJRARQT-XINAWCOVSA-N 198.226 -0.876 50 40 ABGB NNC(=O)CCn1cc(Cl)cn1 2731932 NLHLEIHIVFQMLZ-UHFFFAOYSA-N 188.618 -0.084 50 40 ABGB Cn1cc2c(n1)C(=O)OC2=O 59211819 RBRVZXKUNFPYGD-UHFFFAOYSA-N 152.109 -0.269 50 40 ABGB COc1cc(C#N)cc(B(O)O)c1 205464052 RTJLDFQTCJMOOX-UHFFFAOYSA-N 176.968 -0.753 50 40 ABGB CCNC(=S)NNC=O 5459704 BLJFHNQORZOJQD-UHFFFAOYSA-N 147.203 -0.869 50 40 ABGB C=CCNC(=O)C(=O)NN=C(C)C 58885565 YOPQWQQOBDISHA-UHFFFAOYSA-N 183.211 -0.199 50 40 ABGB Nc1ccc(F)c(F)c1B(O)O 198446142 WJEMGBSVBSYHHO-UHFFFAOYSA-N 172.927 -0.773 50 40 ABGB O=CNCCCl 1695274 BJONJCOFENHEJJ-UHFFFAOYSA-N 107.540 -0.029 50 40 ABGB in-vitro OCc1ccc(F)c(B(O)O)c1F 642814481 JLBNWMMMTLOPFU-UHFFFAOYSA-N 187.938 -0.863 50 40 ABGB O=C1OC(=O)[C@@H]2[C@H]1[C@H]2C(=O)Cl 100009228 WCMQGXALRNMYNI-FFEAPLRNSA-N 174.539 -0.303 50 40 ABGB OB(O)c1cc2cc[nH]c2cc1F 238642874 HTKBFAHXBLRECX-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB COc1c(B(O)O)ccc2[nH]ncc12 238436942 AUSMDXRHJIDVOA-UHFFFAOYSA-N 191.983 -0.749 50 40 ABGB C/C(=N\NC(N)=O)C(C)(C)O 5282476 MRBLCYOYYKVPDQ-XBXARRHUSA-N 159.189 -0.199 50 40 ABGB CC[C@@H](O)CCC(=O)NN 3164457 RHEUJUOLGVOBNU-RXMQYKEDSA-N 146.190 -0.473 50 40 ABGB O=C(CCl)/N=C1/NC(=O)CS1 2381276 AGRHKIVQHSYGND-UHFFFAOYSA-N 192.627 -0.029 50 40 ABGB NNC(=O)c1cccc([N+](=O)[O-])c1O 12336587 VOIQCDFMTVQLRZ-UHFFFAOYSA-N 197.150 -0.096 50 40 ABGB O=C1CC[C@@]2(CCC(=O)OC2=O)CN1 98003572 XYCOUCQJCUJCKZ-SECBINFHSA-N 197.190 -0.254 50 40 ABGB COC(OC)/C(C)=N/NC(N)=O 17322693 SLJFUMFUQAMSNB-XBXARRHUSA-N 175.188 -0.351 50 40 ABGB CC(C)NCCC(=O)NN 19736920 VOQHXEDSHYSPMW-UHFFFAOYSA-N 145.206 -0.636 50 40 ABGB C[C@@H]1CN(CC(=O)NN)C[C@@H](C)O1 22538844 LGUXMNHBSKXTAR-RNFRBKRXSA-N 187.243 -0.915 50 40 ABGB CCCCN1C[C@@H](C(=O)NN)CC1=O 66055663 AHJBHXGYBHHNNH-ZETCQYMHSA-N 199.254 -0.375 50 40 ABGB NNC(=O)c1nc(C2CC2)no1 70451415 ZAHBYBPBEJMNND-UHFFFAOYSA-N 168.156 -0.450 50 40 ABGB N#Cc1c[nH]c(C(=O)NN)c1 217655340 ZEHJCXUDSOVIIL-UHFFFAOYSA-N 150.141 -0.510 50 40 ABGB N#CC1=C(O)C(=O)NC1 95348312 JMSMUOSHTBKTSF-UHFFFAOYSA-N 124.099 -0.548 50 40 ABGB in-vitro NNC(=O)c1cccc(NN)c1 3319661 RRRMGVNSJNONJZ-UHFFFAOYSA-N 166.184 -0.424 50 40 ABGB NCC[C@@H](Cl)C[C@@H](N)C(=O)O 13511340 RARMVOFXKPZWMG-RFZPGFLSSA-N 180.635 -0.255 50 40 ABGB NNC(=O)NCc1ccco1 36948158 QDPVGVAUSXDJJG-UHFFFAOYSA-N 155.157 -0.048 50 40 ABGB in-vitro N#CC1=C(N)C=C[C@H](O)[C@@H]1CO 104073887 RZECOLSAWDWSDK-SVRRBLITSA-N 166.180 -0.738 50 40 ABGB C[C@H]1CO[C@](C)(CC(=O)NN)O1 4689853 QKGCZHRFGAFLBK-FSPLSTOPSA-N 174.200 -0.482 50 40 ABGB CCOC(=O)NNC(=S)NC 6941358 CGKDONBYFRNJST-UHFFFAOYSA-N 177.229 -0.259 50 40 ABGB NNC(=O)c1cnn(C(F)F)c1 40544263 GNCSRMZULKNWMB-UHFFFAOYSA-N 176.126 -0.118 50 40 ABGB OC[C@H](O)COCCBr 1083807980 NDEMJZXYDQVIDP-YFKPBYRVSA-N 199.044 -0.249 50 40 ABGB CN(C)/C=C(\C#N)C(=O)N/C=N/O 3189636 GUKRSHURQNYNLE-GQCTYLIASA-N 182.183 -0.511 50 40 ABGB NNC(=O)CC1CC1 36963061 GVPVKNZZLIICEQ-UHFFFAOYSA-N 114.148 -0.224 50 40 ABGB OB(O)c1cc(F)cc2cc[nH]c12 199060600 ZXPPJGJGDMXWFJ-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB NNC(=O)c1ccon1 44585810 BIDIOFINQYYTRY-UHFFFAOYSA-N 127.103 -0.722 50 40 ABGB in-vitro COCCc1ncc(C(=O)NN)cn1 223456493 HINSRFNAJSZJBK-UHFFFAOYSA-N 196.210 -0.731 50 40 ABGB CC(=O)NNc1nc(C)nc(N)n1 2285656 JECTZNKAEQCQBR-UHFFFAOYSA-N 182.187 -0.775 50 40 ABGB Cc1[nH]nc(C(=O)NN)c1[N+](=O)[O-] 4963218 UCDBUSXXLAGFRT-UHFFFAOYSA-N 185.143 -0.770 50 40 ABGB CCN(C)c1nc(B(O)O)cs1 199487654 BUWXVFRZXBJTRS-UHFFFAOYSA-N 186.045 -0.721 50 40 ABGB O=Cc1cc(Cl)c(B(O)O)cn1 206054418 WGNIXRNQBJFYKG-UHFFFAOYSA-N 185.375 -0.773 50 40 ABGB NS(=O)(=O)[C@@H]1CC[C@H](Cl)NC1 31738413 WDRSXOHMSMRESG-RFZPGFLSSA-N 198.675 -0.408 50 40 ABGB Cc1cncc(B(O)O)c1Cl 199689119 QXOZUQQZGYHUOF-UHFFFAOYSA-N 171.392 -0.277 50 40 ABGB Nc1nc2ccc(B(O)O)cc2o1 201713988 GVUVSRNRKQWAPV-UHFFFAOYSA-N 177.956 -0.910 50 40 ABGB Cc1ccc(OCC(=O)NN)cn1 82465289 AFMIGDNILJUDCI-UHFFFAOYSA-N 181.195 -0.241 50 40 ABGB NNC(=O)c1cccnn1 36533230 QSBVLAGQLFROAU-UHFFFAOYSA-N 138.130 -0.920 50 40 ABGB in-vitro NNC(=O)COC1CCCC1 70152523 FUIDVFBWAIISAI-UHFFFAOYSA-N 158.201 -0.065 50 40 ABGB CO[C@H]1O[C@H](OC)[C@@H](O)[C@@H]1Cl 147373424 IGTDZTDSUCGBCP-BXKVDMCESA-N 182.603 -0.070 50 40 ABGB O=CNNC(=O)C(Cl)Cl 1557355 FTJFYQSCEQBKTA-UHFFFAOYSA-N 170.983 -0.433 50 40 ABGB O=S1(=O)CC[C@H](O)[C@H]1Cl 40166207 ZQHWEZFQCDXSTP-IMJSIDKUSA-N 170.617 -0.269 50 40 ABGB OB(O)c1ccc2ocnc2c1 196671763 ZQCKWABOFOMZQX-UHFFFAOYSA-N 162.941 -0.492 50 40 ABGB CC[C@H](O)CCC(=O)NN 3164456 RHEUJUOLGVOBNU-YFKPBYRVSA-N 146.190 -0.473 50 40 ABGB CC(=O)c1ccc(B(O)O)c(F)c1F 169995283 HTKOABRFNDIGPM-UHFFFAOYSA-N 199.949 -0.153 50 40 ABGB in-vitro OB(O)c1ccc(-n2cccc2)nc1 169989556 FQHQYOZWZHKQCN-UHFFFAOYSA-N 187.995 -0.448 50 40 ABGB Cc1cc(B(O)O)cc(F)n1 206049844 RLBRCDSBHIADKU-UHFFFAOYSA-N 154.937 -0.791 50 40 ABGB CCNC(=O)NNC(=O)CC#N 225713372 WBLPRLVUNWSQTM-UHFFFAOYSA-N 170.172 -0.750 50 40 ABGB N#CC1(O)CCNCC1 100232355 IMWFFXOXUGKCSH-UHFFFAOYSA-N 126.159 -0.376 50 40 ABGB in-vitro CC(=N/O)/C(C)=N/NC=O 225621126 VEYWWHBNNBSJNV-NIQPXEJBSA-N 143.146 -0.042 50 40 ABGB CN1CCC(=NNC(N)=O)CC1 66345811 OPBSSHPXWCNYCH-UHFFFAOYSA-N 170.216 -0.264 50 40 ABGB CC(=O)NC(=O)/C(C#N)=C/N(C)C 2243941 ZBBXVJAXQIFLMJ-FNORWQNLSA-N 181.195 -0.382 50 40 ABGB C/C(=N/NC(N)=O)c1nnn(C)c1C 16949767 QHFKSUAMPPNCAC-WTKPLQERSA-N 196.214 -0.484 50 40 ABGB Cc1cc(O)c(B(O)O)c(F)c1 953047122 BFXMHIMQAMDQQX-UHFFFAOYSA-N 169.948 -0.480 50 40 ABGB CO[P@](=O)(O)C[C@H](C)C(=O)NN 4748446 IRMLQHLGRYSWPH-BYPYZUCNSA-N 196.143 -0.556 50 40 ABGB Cc1cc(CC(=O)NN)[nH]n1 7989003 WPHFQZQZJWGICL-UHFFFAOYSA-N 154.173 -0.749 50 40 ABGB in-vitro C[Si](C)(C)O[Si](O)(O)O 195768300 MNTALGTVSQTALQ-UHFFFAOYSA-N 168.297 -0.750 50 40 ABGB NNC(=O)C[C@H]1CCCO1 88242884 LWLUABIZEBVACF-RXMQYKEDSA-N 144.174 -0.455 50 40 ABGB in-vitro CC(C)N1C[C@@H](C(=O)NN)CC1=O 36963066 MOEWIWWNEASKIH-LURJTMIESA-N 185.227 -0.767 50 40 ABGB COCCn1cc(C(=O)NN)cn1 62700656 ZTRUTPATGBNLRN-UHFFFAOYSA-N 184.199 -0.867 50 40 ABGB N[C@H](CCC(=O)CCl)C(=O)O 64219164 QDTBRNQZSXRTPI-RXMQYKEDSA-N 179.603 -0.014 50 40 ABGB COc1cc(C=O)cc(B(O)O)c1 169995436 BQBPIMVLGXGJIY-UHFFFAOYSA-N 179.968 -0.813 50 40 ABGB in-vitro NNC(=O)C(=O)NNc1ccccc1 1742023 GITZRWDQCZKNFR-UHFFFAOYSA-N 194.194 -0.880 50 40 ABGB N#CC1=C(N)N2CSC[C@H]2C1=O 20286212 RLKDOPAFHDECCU-YFKPBYRVSA-N 181.220 -0.362 50 40 ABGB CC(=O)c1ccc(B(O)O)c(C#N)c1 230488162 CCEFBBZHJXRTEM-UHFFFAOYSA-N 188.979 -0.559 50 40 ABGB CCCNC(=O)N/C=C(\C#N)C(N)=O 4430106 GMJUIWYJWYWYEO-AATRIKPKSA-N 196.210 -0.412 50 40 ABGB COC(=O)C[C@](C)(O)C#N 256052944 PHISMEJOAQGPBN-LURJTMIESA-N 143.142 -0.176 50 40 ABGB Cc1cc(CO)cc(C)c1B(O)O 208614588 BGGDJNYSKZIBRN-UHFFFAOYSA-N 180.012 -0.524 50 40 ABGB NNC(=O)C(=O)Nc1ccc(O)cc1 2275932 SVFHRKNQNBIWCE-UHFFFAOYSA-N 195.178 -0.679 50 40 ABGB NNC(=O)CCCN1CCCC1 22123858 APMNGBMIULGSSP-UHFFFAOYSA-N 171.244 -0.148 50 40 ABGB CN(C)NC(=O)/C=C/C(=O)O 1631155 ACVHHVCLERJENS-ONEGZZNKSA-N 158.157 -0.780 50 40 ABGB NNC(=O)C1(N)CCCC1 1675137 DTJPIHAAAFWLKX-UHFFFAOYSA-N 143.190 -0.752 50 40 ABGB CCOC(=O)NNC(=O)NC 2557020 MPAVAJIEMAZADI-UHFFFAOYSA-N 161.161 -0.424 50 40 ABGB NC(=O)NN=C(CS)CS 4775645 MJKDGEMYBONGQZ-UHFFFAOYSA-N 179.270 -0.130 50 40 ABGB COc1ccc(C[C@H](N)B(O)O)cc1 396754053 ZMMVCGICGMPSEP-VIFPVBQESA-N 195.027 -0.423 50 40 ABGB O=C1OC(=O)N2CC[C@H]12 59199492 XPYOEDHOQKQPQE-GSVOUGTGSA-N 127.099 -0.263 50 40 ABGB C[C@H]1CO[C@@](C)(CC(=O)NN)O1 4689851 QKGCZHRFGAFLBK-CAHLUQPWSA-N 174.200 -0.482 50 40 ABGB O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2O[C@H]12 100494326 UUWMOJSMSOVYSY-YXVPSNDASA-N 180.159 -0.281 50 40 ABGB NNC(=O)CNC1CCCCC1 9096132 TWEJEHVHPBBOGJ-UHFFFAOYSA-N 171.244 -0.101 50 40 ABGB CO[C@H]1O[C@@H](OC)[C@H](O)[C@H]1Cl 252515303 IGTDZTDSUCGBCP-ARQDHWQXSA-N 182.603 -0.070 50 40 ABGB CN(C)CCCC(=O)NN 1634009 QPUJCLUGJDOBBD-UHFFFAOYSA-N 145.206 -0.682 50 40 ABGB CCCOc1cc(B(O)O)ccn1 238255796 JYCJLSRDBOIUIX-UHFFFAOYSA-N 181.000 -0.450 50 40 ABGB COC(=O)CC/C(C)=N/NC(N)=O 16970097 DLPCAZQAWXZGFM-WEVVVXLNSA-N 187.199 -0.016 50 40 ABGB Nc1nnnn1CCCl 17315314 LZAOOQIITLPTRZ-UHFFFAOYSA-N 147.569 -0.506 50 40 ABGB NNC(=O)c1ccncc1F 6599365 BGDVMASDBPPEBX-UHFFFAOYSA-N 155.132 -0.176 50 40 ABGB in-vitro CCCC[C@H](N)B(O)O 195762771 KKWSSPUIRYKIAT-YFKPBYRVSA-N 130.984 -0.484 50 40 ABGB in-vitro O=COC[C@H](CCl)OC=O 1677002 PPGBVJMISGGQAN-YFKPBYRVSA-N 166.560 -0.060 50 40 ABGB NNC(=O)c1ccoc1 2391800 FDKYTUTUYYBJDC-UHFFFAOYSA-N 126.115 -0.117 50 40 ABGB in-vitro C=C/C=N/NC(N)=O 6261988 JINIFJVTIITOJT-ZZXKWVIFSA-N 113.120 -0.174 50 40 ABGB Cc1nnccc1C(=O)NN 45921647 QHIPHKPHWJSFSE-UHFFFAOYSA-N 152.157 -0.611 50 40 ABGB CC(=O)CC(=O)NC(=O)CCl 2555700 CXMKTWWKRRUSLH-UHFFFAOYSA-N 177.587 -0.153 50 40 ABGB OB(O)c1cc(F)c2cn[nH]c2c1 169994396 BDQHXQXQAVKTSF-UHFFFAOYSA-N 179.947 -0.618 50 40 ABGB CC(=O)N(C)N 1762262 XDIIJQFNVMXIJQ-UHFFFAOYSA-N 88.110 -0.662 50 40 ABGB in-vitro OB(O)c1ccnc(OC(F)F)c1 238630284 YWYAZZQOOGAGAE-UHFFFAOYSA-N 188.926 -0.637 50 40 ABGB O=C=NCCN1CCOCC1 45206148 GMBYEADXSKWURI-UHFFFAOYSA-N 156.185 -0.346 50 40 ABGB Cn1cc(N=C=O)c(=O)n(C)c1=O 31772065 AVVKLXBLKNTARS-UHFFFAOYSA-N 181.151 -0.949 50 40 ABGB in-vitro CCOC(=O)NNC(=O)O 4962795 LWURSGKCPWOEST-UHFFFAOYSA-N 148.118 -0.085 50 40 ABGB CO[Si](CN)(OC)OC 196734311 ARKBFSWVHXKMSD-UHFFFAOYSA-N 151.238 -0.638 50 40 ABGB in-vitro C[C@@H](Cl)C(=O)NCC(=O)O 22002107 UBXUBYOEZMEUPZ-GSVOUGTGSA-N 165.576 -0.186 50 40 ABGB CS(=O)(=O)SCCC(N)=O 2379097 SKIDTAOBVRSVHW-UHFFFAOYSA-N 183.254 -0.445 50 40 ABGB in-vitro CN(C)/C=C(/C#N)S(C)(=O)=O 12408569 YGCYQSVPXXQVCC-WAYWQWQTSA-N 174.225 -0.042 50 40 ABGB COC(=O)CC[C@@H]1NC(=O)OC1=O 59281313 JRZZMWDRALHNFH-BYPYZUCNSA-N 187.151 -0.425 50 40 ABGB NNC(=O)c1ccc(N)c(O)c1 2566103 XVAYCRMNZAKLEC-UHFFFAOYSA-N 167.168 -0.422 50 40 ABGB in-vitro N#C[C@@H](O)[C@@H]1CCOC1 59261664 VCRKYUBLJVLAQI-PHDIDXHHSA-N 127.143 -0.093 50 40 ABGB in-vitro O=C1OC(=O)C2=C1[C@H]1CC[C@H]2O1 100426776 IRGCBQMAFUJTJA-QWWZWVQMSA-N 166.132 -0.072 50 40 ABGB N#CS[C@H]1CS(=O)(=O)C[C@H]1O 5613070 LXHPJTBIHGNUSE-UHNVWZDZSA-N 193.249 -0.641 50 40 ABGB Nc1cccc(F)c1B(O)O 225262737 USOWKMGPTPJYEM-UHFFFAOYSA-N 154.937 -0.912 50 40 ABGB C[C@H](NC(=O)CCl)C(=O)N(C)C 36134151 VENGBMXIDKXRHD-YFKPBYRVSA-N 192.646 -0.182 50 40 ABGB in-vitro Cc1cc(C(=O)NN)c(C#N)c(=O)[nH]1 8614566 UPNKXGBAVNABIG-UHFFFAOYSA-N 192.178 -0.842 50 40 ABGB O=C1OC(=O)[C@H]2[C@@H]1[C@H]2C(=O)O 265540979 ZQRIKYUYFIDMLI-JWLKCBQTSA-N 156.093 -0.983 50 40 ABGB NNC(=O)c1cc([N+](=O)[O-])ccc1N 3953364 JANMRHYTBQZQFK-UHFFFAOYSA-N 196.166 -0.220 50 40 ABGB CC(C)(CO)[C@@H]1OOC1=O 100014520 PEMICFJYIINBJR-SCSAIBSYSA-N 146.142 -0.138 50 40 ABGB CC(=O)c1cc(B(O)O)cs1 169844754 ABXWZNDYRCDJSC-UHFFFAOYSA-N 169.998 -0.370 50 40 ABGB CON=C(C(=O)O)C(=O)CCl 256081509 QWNGESOREPKWTG-UHFFFAOYSA-N 179.559 -0.119 50 40 ABGB Cc1ccc(/C=N/NC(=O)C(N)=O)o1 6278797 KNKDYNHGMYLNDZ-ONNFQVAWSA-N 195.178 -0.477 50 40 ABGB Cn1cc([C@@H](O)C#N)nn1 103672982 FOROSHFKDQTKCQ-YFKPBYRVSA-N 138.130 -0.628 50 40 ABGB Cc1nc(C)n([C@@H](C)CC(=O)NN)n1 9061805 JRORRPIYDKGLDZ-YFKPBYRVSA-N 197.242 -0.164 50 40 ABGB CCC[C@@H](OC)C(=O)NN 22123671 SENDRWHYDSKGKE-RXMQYKEDSA-N 146.190 -0.209 50 40 ABGB O=C(CCl)N1CCNC1=O 806258 GZQIJKIKCCPGKH-UHFFFAOYSA-N 162.576 -0.223 50 40 ABGB in-vitro CO[C@H]1C[C@H](NC(C)=O)C=C(C=O)O1 5431197 YWTANJPZRFDTND-VXNVDRBHSA-N 199.206 -0.033 50 40 ABGB N#C/C=C\C([N+](=O)[O-])[N+](=O)[O-] 104046541 GMAJDCXVCNYKBC-UPHRSURJSA-N 157.085 -0.054 50 40 ABGB C[C@H](C(=O)NN)N1CCCCC1 30769435 RFSJNBZHKWMQIM-SSDOTTSWSA-N 171.244 -0.149 50 40 ABGB COc1ccc(F)c(B(O)O)c1OC 169994905 NLUMLIMEFPUAGS-UHFFFAOYSA-N 199.974 -0.477 50 40 ABGB in-vitro CC(=O)NNC(=O)[C@H]1CCCCN1 5856140 JIZFCIWWFSCXIB-SSDOTTSWSA-N 185.227 -0.704 50 40 ABGB N#CC(C#N)=CN 100451664 RIOQOLSODGFOQV-UHFFFAOYSA-N 93.089 -0.124 50 40 ABGB OB(O)C1CCNCC1 196698026 XYBWBVAONQOOKV-UHFFFAOYSA-N 128.968 -0.787 50 40 ABGB COOC(OOC)[C@@H](C)O 604938062 WOBFVIPXQHLLAO-SCSAIBSYSA-N 152.146 -0.151 50 40 ABGB OCc1c(Cl)cccc1B(O)O 169995213 VDDFRQZITTVMJA-UHFFFAOYSA-N 186.403 -0.488 50 40 ABGB in-vitro COc1cncc(Cl)c1B(O)O 198023386 XRAOWJGHCKTCHU-UHFFFAOYSA-N 187.391 -0.577 50 40 ABGB N#C/C=C(\N)N1CCOCC1 168287 NIJBZJPXHOOJAX-LREOWRDNSA-N 153.185 -0.358 50 40 ABGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\N 2366717 CBFOSSBIAPNPMC-UTCJRWHESA-N 191.190 -0.332 50 40 ABGB CC(C)NNC(=O)[C@H](C)O 5732708 YFYCBZSQBTVBBC-YFKPBYRVSA-N 146.190 -0.604 50 40 ABGB N[C@]1(CSS(=O)(=O)O)CCN1 19327259 DVDJAMHPAKRYCC-SCSAIBSYSA-N 198.269 -0.829 50 40 ABGB CCOC(=O)C[C@H](O)C#N 100019163 XWYWOPKTNJPXHY-YFKPBYRVSA-N 143.142 -0.176 50 40 ABGB N#CC=C(N)N 100047252 DQDDGCDRIVTXOX-UHFFFAOYSA-N 83.094 -0.731 50 40 ABGB CS(=O)(=O)/C(C#N)=C/N 104600737 DIBSRPNBRRSMAC-DUXPYHPUSA-N 146.171 -0.645 50 40 ABGB CCO[C@@H]1CC(C(=O)NN)=NO1 34929309 HJVUJSVCLCYEAJ-YFKPBYRVSA-N 173.172 -0.885 50 40 ABGB CCCNC(=S)NNC(N)=O 5523233 YXMFATIVIGXMMQ-UHFFFAOYSA-N 176.245 -0.556 50 40 ABGB O=C1C[C@@H]2C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 100494334 ZCXGUBDTAVCGOT-VEVTUDRCSA-N 180.159 -0.089 50 40 ABGB OB(O)c1ccnc(OCC2CC2)c1 238651453 BAZUDXGCXSIEAM-UHFFFAOYSA-N 193.011 -0.450 50 40 ABGB O=NN(CCCl)C(=O)NCCO 4215768 YJZJEQBSODVMTH-UHFFFAOYSA-N 195.606 -0.090 50 40 ABGB in-man C=C(C)B(O)O 169746012 WCONKKYQBKPMNZ-UHFFFAOYSA-N 85.899 -0.426 50 40 ABGB in-vitro COCOc1ccc(B(O)O)c(F)c1 203501523 NGUAPSMNXJOMSS-UHFFFAOYSA-N 199.974 -0.512 50 40 ABGB NNC(=O)c1cnc[nH]1 1653123 FYMACJSAHLBMHV-UHFFFAOYSA-N 126.119 -0.987 50 40 ABGB in-vitro COc1ccc(O)c(B(O)O)c1 238375606 SDDPSZUZTHPCAC-UHFFFAOYSA-N 167.957 -0.919 50 40 ABGB NC(=S)NNC(=O)C(F)(F)F 8731348 YOKAYYZWWYJPBC-UHFFFAOYSA-N 187.146 -0.587 50 40 ABGB in-vitro NNC(=O)[C@H](CO)c1ccccc1 1577589 ICHLOLYWCXFHEH-MRVPVSSYSA-N 180.207 -0.248 50 40 ABGB O=COC[C@@H](CCl)OC=O 2045419 PPGBVJMISGGQAN-RXMQYKEDSA-N 166.560 -0.060 50 40 ABGB Cc1cc[nH]c1C(=O)NN 26460620 PIXQXBUGBYQJLK-UHFFFAOYSA-N 139.158 -0.073 50 40 ABGB NNC(=O)NCCc1ccccn1 36948119 XUGGHQFBIXUNTQ-UHFFFAOYSA-N 180.211 -0.203 50 40 ABGB in-vitro CNC(=O)CNC(=O)CCl 8191991 UPWQKPBFPCWESB-UHFFFAOYSA-N 164.592 -0.913 50 40 ABGB COC(=O)[C@H](O)C#N 91301002 OQYMSLUZKXXZOX-GSVOUGTGSA-N 115.088 -0.956 50 40 ABGB in-vitro Cc1cn(CC(=O)NN)nc1[N+](=O)[O-] 16957871 TUYHCWWAMSDRLK-UHFFFAOYSA-N 199.170 -0.910 50 40 ABGB O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4O[C@H]34)[C@@H]12 100494321 UUWMOJSMSOVYSY-ZGGPPPIHSA-N 180.159 -0.281 50 40 ABGB COc1cc(B(O)O)c(OC)cc1C 197404800 JKDJFKMOKNQPRW-UHFFFAOYSA-N 196.011 -0.308 50 40 ABGB NC(=O)N/N=C\c1cnc(N)nc1 30846405 YVBQSWGOFSJXBZ-JYOAFUTRSA-N 180.171 -0.939 50 40 ABGB COc1cncc(C)c1B(O)O 169969394 VDXABCHRXJADOK-UHFFFAOYSA-N 166.973 -0.922 50 40 ABGB Cl[C@@H]1CCN[C@H]2NCN[C@H]21 2060992642 CWYAQOOTTXUUSM-SRQIZXRXSA-N 161.636 -0.568 50 40 ABGB COC(=O)[C@@H](NC(C)=O)[C@H](O)Cl 1757386 CHFHCGSFJVYQRV-WHFBIAKZSA-N 195.602 -0.779 50 40 ABGB CC[C@H](C(=O)NN)N1CCOCC1 22539021 ZMWTYHJEMSGSEO-SSDOTTSWSA-N 187.243 -0.913 50 40 ABGB OB(O)c1cc2ccccc2[nH]1 169894268 USASUEYARBQNBM-UHFFFAOYSA-N 160.969 -0.152 50 40 ABGB N#CCC/C=N/NC(N)=O 4828045 RODWXKXEXHQPJX-XBXARRHUSA-N 140.146 -0.056 50 40 ABGB OCCOC[C@@H](O)CCl 5178837 DIBFLXZFUXWPNS-YFKPBYRVSA-N 154.593 -0.405 50 40 ABGB in-vitro CCc1coc(B(O)O)c1 198084454 PXGVNMAZPJSIMQ-UHFFFAOYSA-N 139.947 -0.478 50 40 ABGB O=C1CCN(C(=O)CCl)N1 4038567 BLMIQDQPRHWOMD-UHFFFAOYSA-N 162.576 -0.511 50 40 ABGB CC(C)(C)NC(=O)NNC(N)=S 5284043 JYLCUAFOQYVDJN-UHFFFAOYSA-N 190.272 -0.168 50 40 ABGB CNC(=O)/C(C#N)=C1/CCCN1 23224767 OQNKUOKXGLZATQ-SREVYHEPSA-N 165.196 -0.107 50 40 ABGB C/C=C/CC(=O)NCC(=O)NN 3053223 HGHRERDROLDDHG-NSCUHMNNSA-N 171.200 -0.941 50 40 ABGB CN(CC(=O)Cl)S(C)(=O)=O 75835536 OITHAONTDQADBF-UHFFFAOYSA-N 185.632 -0.357 50 40 ABGB O=C1O[C@@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]21 103843686 ZVBXEFYMEYABQW-KAZBKCHUSA-N 194.142 -0.586 50 40 ABGB CC(=O)Nc1ccc(B(O)O)cc1F 220887068 RSBBBRALHOPKCM-UHFFFAOYSA-N 196.974 -0.536 50 40 ABGB in-vitro COc1cc(C)c(C)cc1B(O)O 198660922 GPAUFRXEKDIYPR-UHFFFAOYSA-N 180.012 -0.008 50 40 ABGB COC(=O)NNC(=O)OC 1674811 BPJLPBVJCYVEAC-UHFFFAOYSA-N 148.118 -0.387 50 40 ABGB NNC(=O)Cn1cc(Cl)cn1 2537592 ZABGZJAYOAWVQP-UHFFFAOYSA-N 174.591 -0.474 50 40 ABGB OB(O)c1ccn2ccnc2c1 170029841 TUUDIUJKHVKGKV-UHFFFAOYSA-N 161.957 -0.986 50 40 ABGB CC(=N\NC=O)/C(C)=N/NC=O 223812182 IWHOGHAOQOBQCN-NXZHAISVSA-N 170.172 -0.770 50 40 ABGB NNC(=O)CCN1CCCC1 260481 LLKCXARUQTWKAJ-UHFFFAOYSA-N 157.217 -0.538 50 40 ABGB in-vitro Cn1cc(Cl)c(C(=O)NN)n1 6319642 FIULMAXFNSQSLE-UHFFFAOYSA-N 174.591 -0.323 50 40 ABGB O=C1OC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@H]12 8100964 QQYNRBAAQFZCLF-FSIIMWSLSA-N 166.132 -0.361 50 40 ABGB CN(C)Cc1cccc(B(O)O)c1F 306332593 QUKBSSZJZFXHOB-UHFFFAOYSA-N 197.018 -0.433 50 40 ABGB COC(=O)NNC(=O)CCC(=O)O 4141370 MIQCCWBQWYWUKG-UHFFFAOYSA-N 190.155 -0.762 50 40 ABGB C[C@@H]1CCCN(CC(=O)NN)C1 22538826 UYIHULRYTRWCNC-SSDOTTSWSA-N 171.244 -0.292 50 40 ABGB C[C@H](Cl)C(=O)NC(N)=O 3324520 RKAQGNOHJPPSED-REOHCLBHSA-N 150.565 -0.191 50 40 ABGB in-vitro O=C=NCN=C=O 2521580 KIQKWYUGPPFMBV-UHFFFAOYSA-N 98.061 -0.385 50 40 ABGB NNC(=O)c1ccc2nccn2c1 4024444 ZMQNWDRVASCREF-UHFFFAOYSA-N 176.179 -0.062 50 40 ABGB in-vitro O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2C(=O)O1 103843678 ZVBXEFYMEYABQW-KVTDHHQDSA-N 194.142 -0.586 50 40 ABGB N#CC(C#N)=C1NCCCN1 2519553 OCNFGBQLIGVSBE-UHFFFAOYSA-N 148.169 -0.172 50 40 ABGB C[C@@H](O)C(=O)N/N=C/c1cccnc1 59501310 NEECICCSAPULEP-PKTIUJEHSA-N 193.206 -0.088 50 40 ABGB N[C@H](CCc1ccccc1)B(O)O 238682385 OEHQAQIOURVFLB-SECBINFHSA-N 179.028 -0.042 50 40 ABGB CO[Si](OC)OC 195814923 PZJJKWKADRNWSW-UHFFFAOYSA-N 121.188 -0.090 50 40 ABGB N#CCC(=O)NNC(=O)CCl 3103956 FCIWYBWXOCMZEC-UHFFFAOYSA-N 175.575 -0.714 50 40 ABGB NC(=O)C(=O)N/N=C/c1ccncc1 5705271 CVKZHNLTLLRKGV-VZUCSPMQSA-N 192.178 -0.983 50 40 ABGB CSc1n[nH]nc1C(=O)NN 22130317 OXWOOPCZNXLQQH-UHFFFAOYSA-N 173.201 -0.870 50 40 ABGB O=C1OC(=O)C2=C1[C@@H]1C=C[C@@H]2O1 100494220 GUXFBTSMGPMSKL-IMJSIDKUSA-N 164.116 -0.296 50 40 ABGB N#CC(=C=N)C=O 334138776 NPMXAKNGAOFXOW-UHFFFAOYSA-N 94.073 -0.116 50 40 ABGB Cc1nc2cccc(B(O)O)c2o1 238502615 KECMQXZEEWIEJC-UHFFFAOYSA-N 176.968 -0.184 50 40 ABGB O=C(CCl)NNC(=O)CCl 1681429 XKMYELXNRJUWPB-UHFFFAOYSA-N 185.010 -0.389 50 40 ABGB N#C/C(N)=C(\C#N)NC(=O)C1CC1 20366854 KJVJRCNWWQTAPU-SREVYHEPSA-N 176.179 -0.270 50 40 ABGB OCC[C@@H](O)CCl 2569664 IQDXPPKWNPMHJI-SCSAIBSYSA-N 124.567 -0.032 50 40 ABGB NNC(=O)Cc1cn2ccsc2n1 3319676 DHUIBZKIXICQHT-UHFFFAOYSA-N 196.235 -0.072 50 40 ABGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C=C[C@H]2C(=O)O1 103843681 ZVBXEFYMEYABQW-JGWLITMVSA-N 194.142 -0.586 50 40 ABGB CC(=O)NNC(=O)CBr 82506549 BQSCFEWVLKSAPF-UHFFFAOYSA-N 195.016 -0.451 50 40 ABGB in-vitro CCCCN1C[C@H](C(=O)NN)CC1=O 66055662 AHJBHXGYBHHNNH-SSDOTTSWSA-N 199.254 -0.375 50 40 ABGB NC(=O)N/N=C/c1ccc(N)o1 113451 WIDJXWNKORRSLM-YCRREMRBSA-N 168.156 -0.136 50 40 ABGB COC(=O)[C@@H](CCl)NC(N)=O 5605786 UGFPVZTZYIGCNI-GSVOUGTGSA-N 180.591 -0.565 50 40 ABGB NC(=O)[C@H]1CCCN1C(=O)CCl 20294494 YKDRUBGIBPCRBH-RXMQYKEDSA-N 190.630 -0.299 50 40 ABGB CCO[C@H]1CC(C(=O)NN)=NO1 34929311 HJVUJSVCLCYEAJ-RXMQYKEDSA-N 173.172 -0.885 50 40 ABGB CN(C)NC(=O)/C=C\C(=O)O 104052463 ACVHHVCLERJENS-ARJAWSKDSA-N 158.157 -0.780 50 40 ABGB NNC(=O)[C@@H]1CCO[C@@H]1C(F)F 225755457 ICGUXWKNIOAHNF-DMTCNVIQSA-N 180.154 -0.354 50 40 ABGB O=C1NN[C@@H](Br)C(=O)N1 95917964 ZXMYUJOXVRRCDC-PVQJCKRUSA-N 193.988 -0.949 50 40 ABGB COCOc1ccc(C)c(B(O)O)c1 169748201 KXBXFELZYMVBDD-UHFFFAOYSA-N 196.011 -0.342 50 40 ABGB in-vitro CC(=O)N/N=C(\C)C(=O)O 4613993 DTRRZDYZHCDJFI-ZZXKWVIFSA-N 144.130 -0.417 50 40 ABGB O=C(F)C(=O)F 95681916 HXQOOYKLTKQCRR-UHFFFAOYSA-N 94.016 -0.021 50 40 ABGB Cc1ncc([N+](=O)[O-])cc1C(=O)NN 325832 CZEZANJUZZKJJC-UHFFFAOYSA-N 196.166 -0.098 50 40 ABGB CC(C)OC[C@H](O)CCC(=O)NN 1822082 JRHYIYSDKHUWHF-SSDOTTSWSA-N 190.243 -0.458 50 40 ABGB NNC(=O)c1ccc([N+](=O)[O-])o1 1041279 HRYYAHKXNSUDFH-UHFFFAOYSA-N 171.112 -0.209 50 40 ABGB CN/N=C(\C)CC(=O)NNC 16137168 ZGICFYXOVUBOOX-WEVVVXLNSA-N 158.205 -0.778 50 40 ABGB N#CC(C#N)=C(N)N 2566799 KBGWULLXFVTZCA-UHFFFAOYSA-N 108.104 -0.837 50 40 ABGB in-vitro OB(O)c1ccc(-n2ccnc2)cc1 170028860 WEWRGUDJRIXYQZ-UHFFFAOYSA-N 187.995 -0.448 50 40 ABGB in-vitro N#C[C@@]1(O)CCCNC1 117947933 QXAWXVHZADXTRY-LURJTMIESA-N 126.159 -0.376 50 40 ABGB O=[N+]([O-])[C@@H](Br)CO 5131846 OGGHUMVMTWCANK-UWTATZPHSA-N 169.962 -0.024 50 40 ABGB NC(=O)N/N=C(\CF)C(=O)O 4933762 OZFWGLKSYBUKQQ-FARCUNLSSA-N 163.108 -0.935 50 40 ABGB C[C@@H](NC(=O)CCl)C(=O)N(C)C 36134153 VENGBMXIDKXRHD-RXMQYKEDSA-N 192.646 -0.182 50 40 ABGB in-vitro CC1=C(C(=O)NN)CC/C1=N\N 5743143 UPCSQMCVDYXSBY-UXBLZVDNSA-N 168.200 -0.599 50 40 ABGB CCOC(=O)/C(C#N)=C\NNC(N)=O 16682037 UWHQFTGGQMZYOX-PLNGDYQASA-N 198.182 -0.870 50 40 ABGB NNC(=O)CNCc1ccccc1 58837335 KPQSMDJOSNHHPR-UHFFFAOYSA-N 179.223 -0.234 50 40 ABGB CNNC(=O)c1cccnc1 1735289 JIGKYCUNLHTTCF-UHFFFAOYSA-N 151.169 -0.054 50 40 ABGB Cc1ccnn1CC(=O)NN 2549479 BUHBUFXTSJXHLR-UHFFFAOYSA-N 154.173 -0.819 50 40 ABGB CNNC(=O)NC 1734448 WVJCKRKDJABHSV-UHFFFAOYSA-N 103.125 -0.950 50 40 ABGB C[C@@H](O)[C@@H](Cl)S(C)(=O)=O 96518895 OVHXHFSFZWLDCV-DMTCNVIQSA-N 172.633 -0.023 50 40 ABGB Nc1nnnn1C(=O)NCCCl 16981573 ADOXSTLMWXMWLZ-UHFFFAOYSA-N 190.594 -0.948 50 40 ABGB NNC(=O)CN1CCCCCC1 8554351 CNUWCOZKIQUWLH-UHFFFAOYSA-N 171.244 -0.148 50 40 ABGB O=C1O[C@H]2C=C[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]21 103843691 ZVBXEFYMEYABQW-MOJAZDJTSA-N 194.142 -0.586 50 40 ABGB CO[C@H]1O[C@@H](OC)[C@@H](O)[C@@H]1Cl 147373250 IGTDZTDSUCGBCP-OMMKOOBNSA-N 182.603 -0.070 50 40 ABGB Cc1ccnn1[C@H](C)C(=O)NN 2549507 XGZISFFLQRZHTO-ZCFIWIBFSA-N 168.200 -0.258 50 40 ABGB O=C1CCNC(=O)O1 100172593 SRGYIOWEOTVTRE-UHFFFAOYSA-N 115.088 -0.357 50 40 ABGB O=Cc1csc(B(O)O)c1 169984393 QLNGETCGSFWOIY-UHFFFAOYSA-N 155.971 -0.760 50 40 ABGB C/C=C(/C)B(O)O 195831506 CCXHEPSOPWJNJB-ARJAWSKDSA-N 99.926 -0.035 50 40 ABGB NNC(=O)c1cc(S)ncn1 4343960 RLQBSHPGQINXAV-UHFFFAOYSA-N 170.197 -0.631 50 40 ABGB NCC[C@H](Cl)C[C@H](N)C(=O)O 13511350 RARMVOFXKPZWMG-WHFBIAKZSA-N 180.635 -0.255 50 40 ABGB Cc1cc(B(O)O)c(F)cn1 198024123 XEKZLTJOECNOMJ-UHFFFAOYSA-N 154.937 -0.791 50 40 ABGB CC(=O)NNC(=O)CC#N 1641521 LDJVSZQZYWMLQH-UHFFFAOYSA-N 141.130 -0.933 50 40 ABGB in-vitro O=C(O)[C@H](Br)CO 1726128 OIODSHQRJGRDLE-UWTATZPHSA-N 168.974 -0.173 50 40 ABGB CC(=O)N[C@H](C)/C(C)=N\NC(N)=O 5699637 YGWICYYBFINLPM-VJYWRYMOSA-N 186.215 -0.445 50 40 ABGB C[C@H](Cl)S(N)(=O)=O 6437302 UHSBFNPAYOCVSO-UWTATZPHSA-N 143.595 -0.140 50 40 ABGB O=C1C[C@@H]2C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 100494331 ZCXGUBDTAVCGOT-ZXMNWKEDSA-N 180.159 -0.089 50 40 ABGB CCOc1cncc(B(O)O)c1 169748226 DGHVOODLUQFVRD-UHFFFAOYSA-N 166.973 -0.840 50 40 ABGB in-vitro CC(CCC(=O)O)=NNC(N)=O 254708402 FMVMFABHHLRSFT-UHFFFAOYSA-N 173.172 -0.105 50 40 ABGB CNC(NC)=C(C#N)NC(=O)OC 1800658 GEBWSPAFOJVUPO-UHFFFAOYSA-N 184.199 -0.526 50 40 ABGB O=[N+]([O-])[C@H](Br)CO 4683081 OGGHUMVMTWCANK-REOHCLBHSA-N 169.962 -0.024 50 40 ABGB Cc1c(C=O)ccc(B(O)O)c1C 169748205 VWKSRDYVNJKHOI-UHFFFAOYSA-N 177.996 -0.204 50 40 ABGB in-vitro Cc1[nH]nc(O)c1CCC(=O)NN 1421833 ZVPOJHNLGKHZBK-UHFFFAOYSA-N 184.199 -0.654 50 40 ABGB COc1c(C)ccc(F)c1B(O)O 169995474 VAUASHASYSIIIE-UHFFFAOYSA-N 183.975 -0.177 50 40 ABGB in-vitro Cl[C@@H]1CCN[C@@H]2NCN[C@@H]12 2060992640 CWYAQOOTTXUUSM-NGJCXOISSA-N 161.636 -0.568 50 40 ABGB CN(C)Cc1ccc(C(=O)NN)o1 3394924 UPPGABHYVZPNEQ-UHFFFAOYSA-N 183.211 -0.055 50 40 ABGB COc1ncccc1C(=O)NN 37389998 PFNBRVFIIQPEAL-UHFFFAOYSA-N 167.168 -0.306 50 40 ABGB CN1CC(=O)OC1=O 97978820 PMPAXURTFMSZSN-UHFFFAOYSA-N 115.088 -0.405 50 40 ABGB in-vitro O=C(N[N+](=O)[O-])c1ncccc1O 5784857 LOVYOAUMMLYBON-UHFFFAOYSA-N 183.123 -0.291 50 40 ABGB CO[C@H]1C(=O)OC(=O)[C@@H]1OC 104242345 SUDRMAHWTQRZKY-QWWZWVQMSA-N 160.125 -0.900 50 40 ABGB Cn1nccc1/C=N/NC(N)=O 2735432 BUJWDSOAWMTBEQ-XBXARRHUSA-N 167.172 -0.578 50 40 ABGB Cn1nc(-c2ccco2)cc1B(O)O 200721750 ZYXXCNXUSXQQGG-UHFFFAOYSA-N 191.983 -0.640 50 40 ABGB C/C(=N\NC(N)=O)c1nonc1C 4595459 XFFKAFIJMKKZKV-FPYGCLRLSA-N 183.171 -0.230 50 40 ABGB NNC(=O)[C@H]1Cc2ccccc2O1 6583254 NUOAPTSESUAZOB-MRVPVSSYSA-N 178.191 -0.020 50 40 ABGB in-vitro N[C@@H](CSSCCO)C(=O)O 1651548 YPUBRSXDQSFQBA-BYPYZUCNSA-N 197.281 -0.228 50 40 ABGB in-vivo NNC(=O)[C@@H]1CCc2n[nH]cc2C1 575422253 ARAPPWHRGBRFAI-RXMQYKEDSA-N 180.211 -0.496 50 40 ABGB CSc1ncc(B(O)O)cc1C 169994312 RVNBIKYOMOKNLZ-UHFFFAOYSA-N 183.041 -0.208 50 40 ABGB NC(=O)C(=O)N/N=C/c1ccco1 5676720 UNCKTALNCKTKNE-RUDMXATFSA-N 181.151 -0.785 50 40 ABGB CC[C@@H](C(=O)NN)N1CCCC1 22538982 ZSNPBGYXTCLPJB-ZETCQYMHSA-N 171.244 -0.149 50 40 ABGB NNC(=O)CCCCCCO 1715590 QXWXPJSXBQSVOF-UHFFFAOYSA-N 160.217 -0.081 50 40 ABGB OB(O)c1cc(F)cc2[nH]ncc12 200307218 HEPNDEWFJBZZOV-UHFFFAOYSA-N 179.947 -0.618 50 40 ABGB Cc1ncsc1CC(=O)NN 3624541 FYILKKKGLVUJJA-UHFFFAOYSA-N 171.225 -0.016 50 40 ABGB NNC(=O)[C@@H](CO)c1ccccc1 6582098 ICHLOLYWCXFHEH-QMMMGPOBSA-N 180.207 -0.248 50 40 ABGB O=C1CC[C@@H](NC(=O)CCl)CN1 82276878 HGSABNAMFMKEEF-RXMQYKEDSA-N 190.630 -0.380 50 40 ABGB N#Cc1cccc2[nH]c(B(O)O)cc12 199619145 OZSNUKMZQSLIDL-UHFFFAOYSA-N 185.979 -0.281 50 40 ABGB O=C(CO)N/N=C/c1ccccc1O 5583411 UQXKHHIJIHPJDZ-BJMVGYQFSA-N 194.190 -0.165 50 40 ABGB C=CCNC(=S)NNC(=O)NC 5668871 ATIVKVFFVHJANC-UHFFFAOYSA-N 188.256 -0.520 50 40 ABGB CC(C)[C@H](C(=O)NN)N(C)C 22539084 KUUHLWUXOUXQNH-ZCFIWIBFSA-N 159.233 -0.438 50 40 ABGB COCCN1CC(N)=C(C#N)C1 96526619 JSOQBSNYFAGWDJ-UHFFFAOYSA-N 167.212 -0.315 50 40 ABGB C[C@H](C(=O)NN)C(C)(C)O 8613629 XFELTQISKKNJNJ-SCSAIBSYSA-N 146.190 -0.617 50 40 ABGB CCCN1C[C@@H](C(=O)NN)CC1=O 66055557 DFEGMVQDLXIMDS-LURJTMIESA-N 185.227 -0.765 50 40 ABGB NNC(=O)C1C[C@H]2CC[C@H](C1)C2O 103708112 JAAUYVOQGMDXRR-INFAEJQFSA-N 184.239 -0.227 50 40 ABGB OB(O)c1cnc2ccccn12 198961157 PXFBSAPVQIYGFM-UHFFFAOYSA-N 161.957 -0.986 50 40 ABGB Cc1ccc(C#N)c(B(O)O)c1 238541633 SHYMGMXUILFDCY-UHFFFAOYSA-N 160.969 -0.454 50 40 ABGB COc1cnc(C(=O)NN)nc1 392422 RXJFNTGUZAOELX-UHFFFAOYSA-N 168.156 -0.911 50 40 ABGB NNC(=O)c1ccc(NN)cc1 3319686 PXBYUFFVOPTCLK-UHFFFAOYSA-N 166.184 -0.424 50 40 ABGB Cn1nnnc1CCl 26466853 QVMQSOGTBSMUQG-UHFFFAOYSA-N 132.554 -0.051 50 40 ABGB in-vitro O=[N+]([O-])/C=C\c1ccc(B(O)O)cc1 195759064 GMEGTAODWQPCOD-WAYWQWQTSA-N 192.967 -0.386 50 40 ABGB COCCCC(=O)NN 22123932 YSSRBFBFUPFMFI-UHFFFAOYSA-N 132.163 -0.597 50 40 ABGB COCCCNC(=O)NN 34977866 DHFZKPSHEWAJNI-UHFFFAOYSA-N 147.178 -0.804 50 40 ABGB in-vitro NNC(=O)Nc1cnsn1 33740461 UHSZYRJXPKEJLO-UHFFFAOYSA-N 159.174 -0.467 50 40 ABGB NCC[C@@H](Cl)C[C@H](N)C(=O)O 13511347 RARMVOFXKPZWMG-UHNVWZDZSA-N 180.635 -0.255 50 40 ABGB O=C1N[C@@H](CCl)C(=O)O1 77285754 ALQADUBZEIRDQN-REOHCLBHSA-N 149.533 -0.140 50 40 ABGB in-vitro NNC(=O)c1nscc1N 4784130 CUHUPYQPIABQGQ-UHFFFAOYSA-N 158.186 -0.671 50 40 ABGB COC(=O)CC/C=N/NC(N)=O 6379214 OJRQINCWHDBXIM-XBXARRHUSA-N 173.172 -0.406 50 40 ABGB NNC(=O)c1cc(N)ccc1O 1596391 JNVOHUFJYDLVQG-UHFFFAOYSA-N 167.168 -0.422 50 40 ABGB NNC(=O)CCCCl 1614019 WBXPNPMBOLMADN-UHFFFAOYSA-N 136.582 -0.005 50 40 ABGB Cc1[nH]ncc1C(=O)NN 58037846 BLLVNROXXUHSJV-UHFFFAOYSA-N 140.146 -0.678 50 40 ABGB in-vitro CC1=C(CO)C(=O)OC1=O 59318163 WCLKACFLUOXLDN-UHFFFAOYSA-N 142.110 -0.621 50 40 ABGB OB(O)c1cc(Cl)cc2[nH]ncc12 209842794 YLHIOJCHLQACKC-UHFFFAOYSA-N 196.402 -0.104 50 40 ABGB NC(=O)CSSCC(N)=O 1646639 WFVWTLVPOUCKBR-UHFFFAOYSA-N 180.254 -0.662 50 40 ABGB OB(O)c1cnc2ccccc2n1 169810225 YZAMRPPXVOZTJJ-UHFFFAOYSA-N 173.968 -0.690 50 40 ABGB in-vitro Nc1nc(=O)[nH]c2[nH]nc(CCl)c12 3852445 UUFPMIHBRLTLKG-UHFFFAOYSA-N 199.601 -0.033 50 40 ABGB OB(O)c1cnc(Cl)cc1F 206054672 BVJBRHKIGZKJGJ-UHFFFAOYSA-N 175.355 -0.446 50 40 ABGB CO[C@H](CO)[C@H](Br)CO 95080179 UHKBTDWTYPQWLS-RFZPGFLSSA-N 199.044 -0.251 50 40 ABGB in-vitro CC(=O)c1ccc(F)c(B(O)O)c1F 169995149 MOLKUWDTTSLAMM-UHFFFAOYSA-N 199.949 -0.153 50 40 ABGB in-vitro C[C@@H](O)CCC(=O)NN 1702822 LQVHERLFWFKPNY-SCSAIBSYSA-N 132.163 -0.863 50 40 ABGB NC(=O)N/N=C\CCl 4758465 SNDIEXRJNAJLSD-KXFIGUGUSA-N 135.554 -0.121 50 40 ABGB O=C(CO)N/N=C/c1ccccn1 59516123 CHEFLANYWVAPMG-BJMVGYQFSA-N 179.179 -0.476 50 40 ABGB O=C(Cl)Cn1cnnn1 39428554 NVHOFJBFYVRQOH-UHFFFAOYSA-N 146.537 -0.562 50 40 ABGB N#CC(C#N)=CN(CCO)CCO 1730415 OMKRYUHVPHQNPR-UHFFFAOYSA-N 181.195 -0.796 50 40 ABGB N[C@@H](CCl)C(=O)NO 55460246 QCWBXJPECQJXKJ-REOHCLBHSA-N 138.554 -0.942 50 40 ABGB in-vitro C/C(CCC(=O)O)=N/NC(N)=O 4430027 FMVMFABHHLRSFT-YWEYNIOJSA-N 173.172 -0.105 50 40 ABGB O=C(O)[C@@H](Br)CO 1726127 OIODSHQRJGRDLE-REOHCLBHSA-N 168.974 -0.173 50 40 ABGB O=C1CN(CC2CC2)CC(=O)O1 108300419 NIGULAUMKQPWPZ-UHFFFAOYSA-N 169.180 -0.218 50 40 ABGB OB(O)c1ccc(-c2ncn[nH]2)cc1 203572192 MTQRSAMYORTFQT-UHFFFAOYSA-N 188.983 -0.849 50 40 ABGB Cc1nc(N)sc1C(=O)NN 967261 PHEJCYMNIYBSAN-UHFFFAOYSA-N 172.213 -0.363 50 40 ABGB in-vitro CCCNC(=S)NNC(C)=O 16957747 PFJHNVBKXXYRAY-UHFFFAOYSA-N 175.257 -0.088 50 40 ABGB CCc1ccsc1B(O)O 198032447 RACFOQUAPQFXII-UHFFFAOYSA-N 156.015 -0.010 50 40 ABGB CC1(C)OC(=O)C[C@H]1CC(=O)NN 493759 UQOLBHYMJIEPSG-RXMQYKEDSA-N 186.211 -0.292 50 40 ABGB N/C(=N/c1ccccc1)NNC=O 6578371 ASPPKRGRYFJKOQ-UHFFFAOYSA-N 178.195 -0.117 50 40 ABGB OB(O)c1cnn2ccccc12 170029832 QHIVIXSDBZREFP-UHFFFAOYSA-N 161.957 -0.986 50 40 ABGB O=C1N[C@H](CCl)C(=O)O1 77285751 ALQADUBZEIRDQN-UWTATZPHSA-N 149.533 -0.140 50 40 ABGB in-vitro OB(O)c1cccc2cncn12 198961792 COFHAMVEIIDBSJ-UHFFFAOYSA-N 161.957 -0.986 50 40 ABGB NNC(=O)Cc1ccco1 59490133 BZGRLVWXZQUERG-UHFFFAOYSA-N 140.142 -0.188 50 40 ABGB COC(=O)[C@H](CCl)NC(N)=O 1705027 UGFPVZTZYIGCNI-VKHMYHEASA-N 180.591 -0.565 50 40 ABGB N#CC(C#N)=C(N)Cn1cncn1 15988065 ZBBHRYQLMFRURZ-UHFFFAOYSA-N 174.167 -0.462 50 40 ABGB NNC(=O)c1cncnc1 26899034 UOYSTPYCLSTYPU-UHFFFAOYSA-N 138.130 -0.920 50 40 ABGB OB(O)c1cc(O)c(F)c(F)c1F 953107764 IXEBLDLKOBUEJP-UHFFFAOYSA-N 191.901 -0.511 50 40 ABGB COC(=O)C[C@@H]1CC(=O)OC1=O 100714354 DYGGXMLRSAQCBC-SCSAIBSYSA-N 172.136 -0.361 50 40 ABGB CC(=O)Nc1cccc(B(O)O)c1C 169856073 NEJMOZDLNXINDG-UHFFFAOYSA-N 193.011 -0.367 50 40 ABGB NNC(=O)[C@H]1CCO[C@H]1C(F)F 225755536 ICGUXWKNIOAHNF-IUYQGCFVSA-N 180.154 -0.354 50 40 ABGB CCOC(=O)C/C(C)=N/NC(N)=O 12859111 BSUHPUZHTUIERW-WEVVVXLNSA-N 187.199 -0.016 50 40 ABGB O=C1NC2(CC2)C(=O)O1 1772714806 XHDMYFSUCQOSDY-UHFFFAOYSA-N 127.099 -0.215 50 40 ABGB C[C@@H]1C[C@@H]1C(=O)NN 2000395 YJBPEAHLEMYMEC-DMTCNVIQSA-N 114.148 -0.368 50 40 ABGB in-vitro O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C[C@H]2[C@H]2O[C@H]12 100494324 UUWMOJSMSOVYSY-HYBKHIPXSA-N 180.159 -0.281 50 40 ABGB C/C=C/C(=O)NN 1596393 MTANTOSWGQDIGK-NSCUHMNNSA-N 100.121 -0.448 50 40 ABGB CC[C@@](C)(C(=O)NN)N(C)C 22123705 DYQREWLVOATSQH-ZETCQYMHSA-N 159.233 -0.293 50 40 ABGB C[C@@](O)(CO)CCl 6031982 AVVXLRRTQZKHSP-BYPYZUCNSA-N 124.567 -0.032 50 40 ABGB Cc1ccncc1C(=O)NN 1595753 XLQIFFOVXRHFJV-UHFFFAOYSA-N 151.169 -0.006 50 40 ABGB Cn1nnc(NC(=O)CCl)n1 88077327 ODCRYCQROUZAEI-UHFFFAOYSA-N 175.579 -0.613 50 40 ABGB O=C1C[C@@H](Cl)CNN1 98181486 FLAKNDCPCYKXFJ-GSVOUGTGSA-N 134.566 -0.382 50 40 ABGB CC(C)COc1cc(B(O)O)ccn1 238157557 NHABVZAWJFXVKY-UHFFFAOYSA-N 195.027 -0.204 50 40 ABGB NNC(=O)Nc1ccc(C(N)=O)cc1 36948066 UJZOVURFFLKJKF-UHFFFAOYSA-N 194.194 -0.219 50 40 ABGB C[C@H](Br)C(=O)NN 104562296 HBYOBMWHJABUQS-REOHCLBHSA-N 167.006 -0.240 50 40 ABGB OB(O)c1cc(F)cc(Cl)c1O 238618007 PWLDUUDLVZTASC-UHFFFAOYSA-N 190.366 -0.136 50 40 ABGB OB(O)c1cncc(OCC2CC2)c1 203525049 QUWLOQUTDFOESI-UHFFFAOYSA-N 193.011 -0.450 50 40 ABGB NC(=O)N/N=C(\N)c1ccncc1 96034472 ZRIYFZFEWFISFB-UHFFFAOYSA-N 179.183 -0.630 50 40 ABGB in-vitro OCCOC[C@H](O)CCl 5178831 DIBFLXZFUXWPNS-RXMQYKEDSA-N 154.593 -0.405 50 40 ABGB in-vitro CSCC[C@@H]1NC(N)=C(C#N)C1=O 20286217 WJOGGLXBIMLUBL-LURJTMIESA-N 197.263 -0.026 50 40 ABGB CNCc1cccc(B(O)O)c1F 307163158 LQJCADUQSXQZOA-UHFFFAOYSA-N 182.991 -0.775 50 40 ABGB O=S(=O)(O)SCC1=NCCN1 31723272 MYTKJAFVLNKAOQ-UHFFFAOYSA-N 196.253 -0.476 50 40 ABGB Cn1c(CCl)cc(=O)n(C)c1=O 9664724 AEIYRTHZNGTKQE-UHFFFAOYSA-N 188.614 -0.177 50 40 ABGB in-vitro N#CC(C#N)=CNC(N)=S 5500604 QPHHZCXEHPQYCJ-UHFFFAOYSA-N 152.182 -0.249 50 40 ABGB Cc1cc(B(O)O)cc2[nH]ncc12 197959510 VHFOBCAEZFUDBI-UHFFFAOYSA-N 175.984 -0.449 50 40 ABGB COC(C)(C)C(=O)NN 30769536 XPEUBMJVIQJQIQ-UHFFFAOYSA-N 132.163 -0.599 50 40 ABGB N#CS[C@@H]1CS(=O)(=O)C[C@@H]1O 5613020 LXHPJTBIHGNUSE-CRCLSJGQSA-N 193.249 -0.641 50 40 ABGB Cc1csc(=O)n1CC(=O)NN 8390439 ZEWVZMWZQWLFBF-UHFFFAOYSA-N 187.224 -0.792 50 40 ABGB OB(O)c1cc(Cl)c(O)cc1F 238617066 ZLVSTJSQXLBEHB-UHFFFAOYSA-N 190.366 -0.136 50 40 ABGB CC(=O)NN(C)C 1675291 SLIKWWJXVUHCPJ-UHFFFAOYSA-N 102.137 -0.401 50 40 ABGB OB(O)c1ccc(F)c2[nH]ncc12 307410618 QOWKDTSMJKVPRP-UHFFFAOYSA-N 179.947 -0.618 50 40 ABGB Cc1ncc(/C=N/NC(N)=O)cn1 217037742 SNCPNPWCLRKUDX-NYYWCZLTSA-N 179.183 -0.213 50 40 ABGB Cc1nnc2[nH]c(CCl)nn2c1=O 100128327 JLVBRRVGSCXNMG-UHFFFAOYSA-N 199.601 -0.140 50 40 ABGB CC1(C)COC(=O)/C1=N\NC(N)=O 1554503097 FBRZEXNTHZXDQN-RUDMXATFSA-N 185.183 -0.406 50 40 ABGB Cn1cc([N+](=O)[O-])cc1C(=O)NN 7814928 PKCOVLHJXVUBOX-UHFFFAOYSA-N 184.155 -0.463 50 40 ABGB O=Cc1c(Cl)csc1B(O)O 169969442 FCBJIBGYLUCGIT-UHFFFAOYSA-N 190.416 -0.106 50 40 ABGB Cc1cc(B(O)O)ccc1[N+](=O)[O-] 307709394 MCOWIWZRZDFDRN-UHFFFAOYSA-N 180.956 -0.417 50 40 ABGB O=C1CN(C(=O)CCl)CCN1 19475689 QVVYHRBAOTZFOZ-UHFFFAOYSA-N 176.603 -0.816 50 40 ABGB in-vitro CSc1ccc(B(O)O)c(C)n1 169995086 ILNCHYTZJHELPT-UHFFFAOYSA-N 183.041 -0.208 50 40 ABGB CCOCCCNC(=O)NN 36948209 WXJWBLRYYARNSM-UHFFFAOYSA-N 161.205 -0.414 50 40 ABGB COCc1cc(C(=O)NN)no1 82463376 BYDDYQOQZJZVQI-UHFFFAOYSA-N 171.156 -0.576 50 40 ABGB OB(O)c1cnc2ccoc2c1 224284131 RDLAGZRSTGLCPO-UHFFFAOYSA-N 162.941 -0.492 50 40 ABGB CCCN1C[C@H](C(=O)NN)CC1=O 66055556 DFEGMVQDLXIMDS-ZCFIWIBFSA-N 185.227 -0.765 50 40 ABGB OCc1cc(F)c(B(O)O)c(F)c1 169995382 MJXZDKYAMFZLML-UHFFFAOYSA-N 187.938 -0.863 50 40 ABGB in-vitro COC/C(N)=C/C#N 98213565 SLWICPDSMMOWGC-DJWKRKHSSA-N 112.132 -0.001 50 40 ABGB CC1=C(C(=O)NN)CC/C1=N/N 17162100 UPCSQMCVDYXSBY-POHAHGRESA-N 168.200 -0.599 50 40 ABGB N#C/C=C\c1cccc(B(O)O)c1 195871070 YDSLGHLJEJPWNC-RQOWECAXSA-N 172.980 -0.097 50 40 ABGB CO[C@H]1O[C@@H](OC)[C@H](O)[C@@H]1Cl 252515304 IGTDZTDSUCGBCP-BGPJRJDNSA-N 182.603 -0.070 50 40 ABGB O=Cc1cc(Cl)sc1B(O)O 169969450 LEBVEUCSVITXMX-UHFFFAOYSA-N 190.416 -0.106 50 40 ABGB Cc1cc([N+](=O)[O-])nn1CC(=O)NN 2534374 OPIJKGWSJGYMNL-UHFFFAOYSA-N 199.170 -0.910 50 40 ABGB NC(=O)N/N=C(/CF)C(=O)O 5409844 OZFWGLKSYBUKQQ-UQCOIBPSSA-N 163.108 -0.935 50 40 ABGB NNC(=O)CSc1ncccn1 3121542 HJJPFUFJAQFJTM-UHFFFAOYSA-N 184.224 -0.441 50 40 ABGB in-vitro N#CS[C@H]1CS(=O)(=O)C[C@@H]1O 5613026 LXHPJTBIHGNUSE-WHFBIAKZSA-N 193.249 -0.641 50 40 ABGB COC(CNC(=O)CCl)OC 40438508 BMCSYAZSAZELGK-UHFFFAOYSA-N 181.619 -0.040 50 40 ABGB COC(=O)NN=C(/C=N/O)/C=N/O 95686742 POTQIVNYAAKQII-YPCIICBESA-N 188.143 -0.382 50 40 ABGB O=C(O)c1csc(B(O)O)c1 299803956 MUWMFJRGKVJZDJ-UHFFFAOYSA-N 171.970 -0.874 50 40 ABGB NC(=O)C(=O)N/N=C/c1cccs1 5677280 XQNTZWBDEJMTMK-RUDMXATFSA-N 197.219 -0.317 50 40 ABGB NNC(=O)c1cccc(N)c1C(=O)O 1690018 YTOGAQVNTYYSOJ-UHFFFAOYSA-N 195.178 -0.430 50 40 ABGB NNC(=O)c1ncccn1 38338325 DQEIYNHQKWEZKR-UHFFFAOYSA-N 138.130 -0.920 50 40 ABGB in-vitro ClCCn1cnnn1 88189725 XHUIIORNGYDUIT-UHFFFAOYSA-N 132.554 -0.088 50 40 ABGB COc1nccc(SC)c1B(O)O 169995072 UFJUIFDMXAHFSC-UHFFFAOYSA-N 199.040 -0.508 50 40 ABGB CCn1cc(N)c(C(=O)NN)n1 2534284 ULPBRFNMDWXSHK-UHFFFAOYSA-N 169.188 -0.911 50 40 ABGB N/N=C1/CC[C@@H](C(=O)NN)C1 17285685 IPXAZBYLUPWDQA-GVSMFSOGSA-N 156.189 -0.909 50 40 ABGB CC1=C(C#N)C(=O)N(N)C(=O)C1 4525778 PENHSLHUOKJMMH-UHFFFAOYSA-N 165.152 -0.541 50 40 ABGB CC(=O)N[N+](C)(C)C 1641030 IUFAEQDMEMKFCW-UHFFFAOYSA-O 117.172 -0.256 50 40 ABGB CC(C)=NNC(=O)Cn1cncn1 32760964 JXSSYEPYENOVMY-UHFFFAOYSA-N 181.199 -0.210 50 40 ABGB COC(=O)NNC1=CC(=O)OC1 33533852 ATEMCMRYWCXVMO-UHFFFAOYSA-N 172.140 -0.712 50 40 ABGB CN(C)NC(N)=O 34368837 SVZFWZRCMLRFOM-UHFFFAOYSA-N 103.125 -0.869 50 40 ABGB O=C1CC[C@]2(CCC(=O)OC2=O)CN1 98003573 XYCOUCQJCUJCKZ-VIFPVBQESA-N 197.190 -0.254 50 40 ABGB CCn1ncc(N)c1C(=O)NN 2534286 PGHVXUJLCJJHCW-UHFFFAOYSA-N 169.188 -0.911 50 40 ABGB CC(C)C[C@@H](N)C(=O)NN 2556617 GLVPVOKTIZSQIS-RXMQYKEDSA-N 145.206 -0.650 50 40 ABGB N#C[C@H](O)[C@@H]1CCOC1 59261668 VCRKYUBLJVLAQI-RITPCOANSA-N 127.143 -0.093 50 40 ABGB in-vitro O=C1CC(=O)OC(=O)C1 100022566 UNBPFPUTIKOOOI-UHFFFAOYSA-N 128.083 -0.581 50 40 ABGB COC1=C(N)N[C@H](Cl)C=N1 642882912 PIYGTWNCGZEDEC-VKHMYHEASA-N 161.592 -0.043 50 40 ABGB COC1=C(N)N[C@@H](Cl)C=N1 642882911 PIYGTWNCGZEDEC-GSVOUGTGSA-N 161.592 -0.043 50 40 ABGB O=C(O)/C=C\c1ccc(B(O)O)cc1 195812937 IEMLKNHGGSYOMP-UTCJRWHESA-N 191.979 -0.536 50 40 ABGB CCc1cccc(B(O)O)c1O 238294511 XBRUEIJCIGVSKC-UHFFFAOYSA-N 165.985 -0.366 50 40 ABGB Cn1nnc2cc(C(=O)NN)ccc21 409205538 PDVKZRUGKSWNHB-UHFFFAOYSA-N 191.194 -0.428 50 40 ABGB CCC(=O)NNC(N)=S 1245932 DFBBSKGPEMPKOU-UHFFFAOYSA-N 147.203 -0.739 50 40 ABGB NC(=O)NNC(=O)c1ccco1 1718379 BULCZHALIOHXRU-UHFFFAOYSA-N 169.140 -0.407 50 40 ABGB CC(C)(O)c1cc(C(=O)NN)no1 12401170 DGXOMEKJVUAJKN-UHFFFAOYSA-N 185.183 -0.495 50 40 ABGB CC(C)(C)N1C[C@@H](C(=O)NN)CC1=O 66055503 AOARWVVNIVQVAA-LURJTMIESA-N 199.254 -0.377 50 40 ABGB NNC(=O)c1ccc(N)cc1O 1385036 FYZGXAKJVDHGDR-UHFFFAOYSA-N 167.168 -0.422 50 40 ABGB in-vitro CCNC(=S)NNC(C)=O 6438726 PPOXUPLNTWODRQ-UHFFFAOYSA-N 161.230 -0.479 50 40 ABGB C[C@](O)(CO)CCl 1672807 AVVXLRRTQZKHSP-SCSAIBSYSA-N 124.567 -0.032 50 40 ABGB NNC(=O)CNCc1ccco1 22538872 KLTOUQKQPZFGBQ-UHFFFAOYSA-N 169.184 -0.641 50 40 ABGB CC(C)NNC(=O)[C@H](C)N 5962957 RXDDFZPTCJOFGW-YFKPBYRVSA-N 145.206 -0.637 50 40 ABGB COC(=O)/C(C#N)=C1\NCCO1 90561796 KMAAHNOGYAZYAN-AATRIKPKSA-N 168.152 -0.486 50 40 ABGB OB(O)c1cc2ccc(F)cc2[nH]1 199623064 MPFKENGPQFSXMD-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB NNC(=O)C(=O)Nc1cccc(F)c1 9233387 ZKPURYXFNMESLX-UHFFFAOYSA-N 197.169 -0.246 50 40 ABGB COC(OC)/C(C)=N\NC(N)=O 4743169 SLJFUMFUQAMSNB-YWEYNIOJSA-N 175.188 -0.351 50 40 ABGB CN(N=O)C(=O)C(=O)N(C)N=O 4887719 CBWVWOOEXJQIFA-UHFFFAOYSA-N 174.116 -0.734 50 40 ABGB O=C(CCl)Nc1nnn[nH]1 5380631 HAZFRPCINVUQFY-UHFFFAOYSA-N 161.552 -0.623 50 40 ABGB C/C(=N/NC(N)=O)C(C)(C)O 17163552 MRBLCYOYYKVPDQ-YWEYNIOJSA-N 159.189 -0.199 50 40 ABGB CC(=O)N/N=C(/C)C(=O)O 5064893 DTRRZDYZHCDJFI-UTCJRWHESA-N 144.130 -0.417 50 40 ABGB CNC(=S)NNC(=O)C1CC1 5566413 LJTAERMMWHNPGS-UHFFFAOYSA-N 173.241 -0.479 50 40 ABGB NC(=O)NNC(=O)c1ccncc1 32132675 RXNSCGZBLRNHOK-UHFFFAOYSA-N 180.167 -0.605 50 40 ABGB C[C@@H]1CC(C#N)=C(NC#N)NC1=O 6437626 QULRWWZJWATPRL-RXMQYKEDSA-N 176.179 -0.052 50 40 ABGB NCCNC(=O)CCl 40803110 SKSKBAUEMISASN-UHFFFAOYSA-N 136.582 -0.700 50 40 ABGB OB(O)c1c(Cl)ccnc1F 199688072 SJRPVKMTJXJXJW-UHFFFAOYSA-N 175.355 -0.446 50 40 ABGB Cc1nnc2n1NC(N)=C(C#N)S2 72333598 KGDCKISCRAUBEL-UHFFFAOYSA-N 194.223 -0.113 50 40 ABGB N[C@H](Cc1ccccc1)B(O)O 195762784 OAZCLPVPUZOYGA-MRVPVSSYSA-N 165.001 -0.432 50 40 ABGB CS(=O)(=O)O/C=C(\C#N)C(=O)O 1707264 ADSRTBOQNQSBAI-ONEGZZNKSA-N 191.164 -0.545 50 40 ABGB NNC(=O)Cc1cccnc1 1769111 HTOCJFXVAGVZIY-UHFFFAOYSA-N 151.169 -0.386 50 40 ABGB in-vitro COC(=O)/C(C#N)=C1\CC[C@@H](O)N1 31830044 VOCHFQKUSYTHMM-WEWAHIQMSA-N 182.179 -0.361 50 40 ABGB Cc1ccc(C(=O)NN)n1C 39064854 BCGDETYOMTWFJU-UHFFFAOYSA-N 153.185 -0.063 50 40 ABGB CO[Si]1(OC)CCCNCCN1 199899990 BRNBYPNQQNFBEX-UHFFFAOYSA-N 190.319 -0.199 50 40 ABGB Cn1nc(C2CC2)cc1C(=O)NN 725328007 GDHCLOWFCDNYAD-UHFFFAOYSA-N 180.211 -0.099 50 40 ABGB CC=NNC(N)=O 255003999 IUNNCDSJWDQYPW-UHFFFAOYSA-N 101.109 -0.340 50 40 ABGB O=C(Cl)CN1C(=O)C=CC1=O 36466534 CCBYJMUYIDMBHE-UHFFFAOYSA-N 173.555 -0.323 50 40 ABGB CNC(=O)C(=O)N/N=C/c1ccco1 59371417 AHCQDGWJEUYNPZ-BJMVGYQFSA-N 195.178 -0.524 50 40 ABGB NNC(=O)COCC1CC1 70162452 LRFJVVVMUGSVNB-UHFFFAOYSA-N 144.174 -0.597 50 40 ABGB CO[C@@H]1C(=O)OC(=O)[C@H]1OC 104242339 SUDRMAHWTQRZKY-IMJSIDKUSA-N 160.125 -0.900 50 40 ABGB O=C1CCc2ccc(B(O)O)cc21 200994107 ANQOFXCMJAXRJH-UHFFFAOYSA-N 175.980 -0.505 50 40 ABGB OB(O)c1ccc(Cl)c2[nH]ncc12 169995480 WCYMWBJRNPAIOY-UHFFFAOYSA-N 196.402 -0.104 50 40 ABGB in-vitro Cc1cc[n+](CC(=O)NN)cc1 1641585 MIJSUODEEVOTMN-UHFFFAOYSA-O 166.204 -0.728 50 40 ABGB COC(=O)C/C(N)=C(\C#N)C(=O)OC 13657937 MTUIWNVBJJHEQM-WAYWQWQTSA-N 198.178 -0.541 50 40 ABGB C[C@@H](O)C(=O)N/N=C/c1ccccn1 59501312 NFXPWIPPKFULJC-PKTIUJEHSA-N 193.206 -0.088 50 40 ABGB COC(=O)C(C#N)=C1NCCN1 330017 WQPGXYAMKDPXNH-UHFFFAOYSA-N 167.168 -0.913 50 40 ABGB COC(=O)/C(C#N)=C1\CC[C@@H](O)N1C 1624921 VAJOWGNVEGYJLV-HYDMIIDASA-N 196.206 -0.019 50 40 ABGB NC(=O)NNC(=O)c1ccccc1O 553662 BDFHGBSRSRDAFV-UHFFFAOYSA-N 195.178 -0.295 50 40 ABGB in-vitro NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 36020472 HCXMXVGSLFXCGE-UHFFFAOYSA-N 197.150 -0.096 50 40 ABGB Cc1ccc(B(O)O)c(CO)c1 169995063 CBAPVZWDDUMKMK-UHFFFAOYSA-N 165.985 -0.833 50 40 ABGB in-vitro C[C@H](O)CCC(=O)NN 5762714 LQVHERLFWFKPNY-BYPYZUCNSA-N 132.163 -0.863 50 40 ABGB COCC(=O)NC(=O)CCl 4205983 NGEKJBMEFTZSEL-UHFFFAOYSA-N 165.576 -0.486 50 40 ABGB CS(=O)(=O)CC(=O)Cl 69714565 IEJXMQAMBLLVJU-UHFFFAOYSA-N 156.590 -0.204 50 40 ABGB CCNc1ccc(B(O)O)cn1 211336152 WTGGJARSZGMIDL-UHFFFAOYSA-N 165.989 -0.807 50 40 ABGB O=C(O)C[P@@](=O)(O)OO 100443591 IQEKRNXJPCBUAT-UHFFFAOYSA-N 156.030 -0.254 50 40 ABGB Cn1cc2cc(F)cc(B(O)O)c2n1 575631011 GKMHKRQJRJOUGF-UHFFFAOYSA-N 193.974 -0.608 50 40 ABGB Cc1nc([N+](=O)[O-])cn1CC(=O)NN 2387483 UGDCUKFIRWCFKL-UHFFFAOYSA-N 199.170 -0.910 50 40 ABGB COC(=O)C[C@@](C)(O)C#N 256052945 PHISMEJOAQGPBN-ZCFIWIBFSA-N 143.142 -0.176 50 40 ABGB CCc1[nH]nc2ccc(B(O)O)cc12 575599923 ZERBFERFESAHAE-UHFFFAOYSA-N 190.011 -0.195 50 40 ABGB NC(=O)NNC(=O)c1ccccc1 13404415 HUZZTWCBDUFIOU-UHFFFAOYSA-N 179.179 0.000 50 40 ABGB C=CCN1C[C@@H](C(=O)NN)CC1=O 66055565 NQSRVGXJBPOARI-LURJTMIESA-N 183.211 -0.989 50 40 ABGB CSCC[C@H]1NC(N)=C(C#N)C1=O 100642597 WJOGGLXBIMLUBL-ZCFIWIBFSA-N 197.263 -0.026 50 40 ABGB CC(=O)Nc1cc(B(O)O)ccc1F 169809100 XJTIWQQDEHAMFL-UHFFFAOYSA-N 196.974 -0.536 50 40 ABGB CC(C)NNC(N)=O 1571299 AKOJTNUBZFZDAV-UHFFFAOYSA-N 117.152 -0.432 50 40 ABGB C[C@@H](Cl)C(=O)NC(N)=O 3324521 RKAQGNOHJPPSED-UWTATZPHSA-N 150.565 -0.191 50 40 ABGB in-vitro CCNC(=O)NN 36948166 CJYIAZYTBJVFOT-UHFFFAOYSA-N 103.125 -0.821 50 40 ABGB Cc1ccn(CCC(=O)NN)n1 2549491 ZLZBYPNUAKMWNR-UHFFFAOYSA-N 168.200 -0.428 50 40 ABGB O=C(O)[C@@H](Cl)P(=O)(O)O 5510594 PMGINNPAPWFWMT-SFOWXEAESA-N 174.476 -0.186 50 40 ABGB N#CCNNC(=O)c1ccncc1 1671283 FNNKUDOMJDYEIR-UHFFFAOYSA-N 176.179 -0.160 50 40 ABGB Cc1ccc(C[C@H](N)B(O)O)cc1 694943404 YIHFEARMBAFZKC-VIFPVBQESA-N 179.028 -0.123 50 40 ABGB Cn1nnc(CCCl)n1 1726462 SMHGGIVEMMHOCT-UHFFFAOYSA-N 146.581 -0.009 50 40 ABGB N#C/C(=C\N1CCNC1=S)C(N)=O 1636807 GLOWNIZLLYWTEH-SNAWJCMRSA-N 196.235 -0.931 50 40 ABGB O=C1NC[C@H](Cl)C(=O)N1 16137471 UGNJAOTUPKDMJB-REOHCLBHSA-N 148.549 -0.567 50 40 ABGB COCC(=O)N(N)C1CC1 21408273 WFKGLTWWBCEPKN-UHFFFAOYSA-N 144.174 -0.503 50 40 ABGB Nc1nc2cccc(B(O)O)c2o1 306893899 KHRGTZBFXJPKNC-UHFFFAOYSA-N 177.956 -0.910 50 40 ABGB OB(O)c1cc(Cl)ncc1O 206059158 IMDQYJIXTVOVAS-UHFFFAOYSA-N 173.364 -0.880 50 40 ABGB COC(=O)C(=O)[C@@H](Cl)C(C)=O 100501707 BPWBJRVOOUFCRG-BYPYZUCNSA-N 178.571 -0.075 50 40 ABGB C/C=C(\C)B(O)O 200130290 CCXHEPSOPWJNJB-ONEGZZNKSA-N 99.926 -0.035 50 40 ABGB N#CC(C#N)=C1NCCN1 2519023 NKBAQZIFMASAMD-UHFFFAOYSA-N 134.142 -0.562 50 40 ABGB Cc1ccc(B(O)O)c2cnn(C)c12 169810027 HMBKSPKUSLDUNC-UHFFFAOYSA-N 190.011 -0.438 50 40 ABGB O=C1C[C@@H]([n+]2ccccc2)C(=O)O1 101462930 OFKDSJAXCOLISH-SSDOTTSWSA-N 178.167 -0.011 50 40 ABGB OB(O)c1ncccc1Cl 169905985 QBKWMNFYLXBEDV-UHFFFAOYSA-N 157.365 -0.585 50 40 ABGB NC(=O)NC(=O)CCCl 12504984 HRYUUBFCDGPNLW-UHFFFAOYSA-N 150.565 -0.190 50 40 ABGB in-vitro OB(O)c1ccc(F)c2cc[nH]c12 199060540 BDGDXWCLPYENPN-UHFFFAOYSA-N 178.959 -0.013 50 40 ABGB Cc1nc(C)n([C@H](C)CC(=O)NN)n1 9061806 JRORRPIYDKGLDZ-RXMQYKEDSA-N 197.242 -0.164 50 40 ABGB COC(=O)CNC(=O)CCCl 22210010 AITRNJOBTPJCBI-UHFFFAOYSA-N 179.603 -0.096 50 40 ABGB in-vitro C[C@H]1CN(CC(=O)NN)C[C@H](C)O1 22538854 LGUXMNHBSKXTAR-BQBZGAKWSA-N 187.243 -0.915 50 40 ABGB OB(O)c1ccc(F)s1 198311556 BAHFOMKPBIKNCB-UHFFFAOYSA-N 145.951 -0.433 50 40 ABGB N#CC1=C(N)N2CCC[C@@H]2C1=O 100642559 FBCQNOAPCDHJGE-ZCFIWIBFSA-N 163.180 -0.273 50 40 ABGB CO[C@@H]1C[C@H](NC(C)=O)C=C(C=O)O1 5431201 YWTANJPZRFDTND-APPZFPTMSA-N 199.206 -0.033 50 40 ABGB C[Si]12OCCN(CCO1)CCO2 195751605 DZLQWMNVOBAZGC-UHFFFAOYSA-N 189.287 -0.066 50 40 ABGB CCCNc1ccc(B(O)O)cn1 211336327 VZCYTNWREGXGTR-UHFFFAOYSA-N 180.016 -0.417 50 40 ABGB O=S(=O)(O)[C@H](O)CCl 5131809 HJNWYGLPGLWUEV-REOHCLBHSA-N 160.578 -0.569 50 40 ABGB in-vitro CCc1sccc1B(O)O 198777733 VMTNBJSYCUFJOI-UHFFFAOYSA-N 156.015 -0.010 50 40 ABGB CCNC(=S)NNC(N)=O 5459701 ANSLBOJSHUXHKH-UHFFFAOYSA-N 162.218 -0.946 50 40 ABGB COC(=O)[C@@H](O)C#N 91301004 OQYMSLUZKXXZOX-VKHMYHEASA-N 115.088 -0.956 50 40 ABGB in-vitro ClC[Si]12OCN(CO1)CO2 170608426 DOQBSWHDNDPUAO-UHFFFAOYSA-N 181.651 -0.045 50 40 ABGB C[Si](C)(C)C#CB(O)O 196966529 XLMPAVXAVNXSCX-UHFFFAOYSA-N 142.039 -0.121 50 40 ABGB CC(C)=NNC(=O)CCC(=O)NN 27986479 TVDNPWLZLKCLQA-UHFFFAOYSA-N 186.215 -0.732 50 40 ABGB NNC(=O)c1ccc(O)cn1 39136671 AILKVQXYFSGZLN-UHFFFAOYSA-N 153.141 -0.609 50 40 ABGB Cc1cc(B(O)O)cc2c1cnn2C 169810029 SZAGSASAQPUZDI-UHFFFAOYSA-N 190.011 -0.438 50 40 ABGB NNC(=O)c1cc([N+](=O)[O-])ccc1O 3100612 IFROEJRAWJNALM-UHFFFAOYSA-N 197.150 -0.096 50 40 ABGB in-vitro OB(O)c1cc2cnccc2o1 200991898 GJLFJOXLBGSLQX-UHFFFAOYSA-N 162.941 -0.492 50 40 ABGB C[C@H](NC[C@H]1CCCO1)C(=O)NN 22538920 UGRSXLGOZPVWAG-NKWVEPMBSA-N 187.243 -0.867 50 40 ABGB NNC(=O)C(=O)Nc1ccccn1 2025712 JMCVJNPXUVYEFA-UHFFFAOYSA-N 180.167 -0.990 50 40 ABGB in-vitro CC(=O)NCCCCCC(=O)NN 37388161 IITNLANHPHBCLQ-UHFFFAOYSA-N 187.243 -0.327 50 40 ABGB CCOCc1cncc(B(O)O)c1 169994777 HPDQZTTXRRXCPR-UHFFFAOYSA-N 181.000 -0.702 50 40 ABGB CSc1ccnc(F)c1B(O)O 209812226 NERKTEURAKIPPU-UHFFFAOYSA-N 187.004 -0.378 50 40 ABGB C[C@@H](C(=O)NN)n1cc([N+](=O)[O-])cn1 2732094 ACSPBMYSYIOKHL-BYPYZUCNSA-N 199.170 -0.658 50 40 ABGB Cc1nsc(C(=O)NN)n1 95635020 UJQISHJANPSPTN-UHFFFAOYSA-N 158.186 -0.550 50 40 ABGB CN1CCC[C@@H](C(=O)NN)C1 4837361 JMALQQIOYGEEAO-ZCFIWIBFSA-N 157.217 -0.682 50 40 ABGB CC(C)NNC(=O)[C@@H](C)O 1678595 YFYCBZSQBTVBBC-RXMQYKEDSA-N 146.190 -0.604 50 40 ABGB CS(=O)(=O)SCC(=O)O 2528482 ASUZQXBECRATCB-UHFFFAOYSA-N 170.211 -0.236 50 40 ABGB in-vitro NS(=O)(=O)[C@H]1CC[C@@H](Cl)NC1 31738408 WDRSXOHMSMRESG-WHFBIAKZSA-N 198.675 -0.408 50 40 ABGB OCC#CCOC[C@@H](O)CCl 1760959 RABCNNVIJMSMAO-ZETCQYMHSA-N 178.615 -0.402 50 40 ABGB N#CC(C#N)=COCO 306712861 AAHUCJRLXBLTMF-UHFFFAOYSA-N 124.099 -0.116 50 40 ABGB O=C1OC(=O)[C@H]2CC[C@H]1N2 104717248 DXJYKRIEDIEUAT-QWWZWVQMSA-N 141.126 -0.810 50 40 ABGB NNC(=O)c1ccc2nonc2c1 171002 IHHRVMUOPJSRTE-UHFFFAOYSA-N 178.151 -0.174 50 40 ABGB ON=Cc1ccc(Cl)c(B(O)O)c1 256081438 NRFCKPJWQMVWJW-UHFFFAOYSA-N 199.402 -0.172 50 40 ABGB Cn1ncc2c1CC[C@H](C(=O)NN)C2 575422355 BMCFNESPUCCRTM-LURJTMIESA-N 194.238 -0.485 50 40 ABGB O=C1OC(=O)C2=C1[C@@H]1CC[C@H]2O1 100426771 IRGCBQMAFUJTJA-ZXZARUISSA-N 166.132 -0.072 50 40 ABGB Cc1c(F)cncc1B(O)O 203549083 KAPQYVIZRCVFAE-UHFFFAOYSA-N 154.937 -0.791 50 40 ABGB O=C(NNC(=O)C(F)F)C(F)F 1565670927 PJEXIQNXKKDFKT-UHFFFAOYSA-N 188.080 -0.336 50 40 ABGB O=C=N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40166235 LUUDEEOHMVLQKT-CRCLSJGQSA-N 195.627 -0.273 50 40 ABGB CCc1ncc(C(=O)NN)c(C)n1 223457331 RLMQRIGVEOGHHV-UHFFFAOYSA-N 180.211 -0.049 50 40 ABGB N#CS[C@@H]1CS(=O)(=O)C[C@H]1O 5613062 LXHPJTBIHGNUSE-RFZPGFLSSA-N 193.249 -0.641 50 40 ABGB N#CC(C#N)=CN1C(=O)CNC1=S 5566542 ZRKZMOFLAHHXRO-UHFFFAOYSA-N 192.203 -0.366 50 40 ABGB CN1CCN(CC(=O)Cl)CC1 32020988 CFFJEKSERAXXPZ-UHFFFAOYSA-N 176.647 -0.001 50 40 ABGB N#C[C@]1(O)CCCNC1 117947936 QXAWXVHZADXTRY-ZCFIWIBFSA-N 126.159 -0.376 50 40 ABGB NNC(=O)c1csc(N)n1 1415050 KHVLFJLFNMWTBV-UHFFFAOYSA-N 158.186 -0.671 50 40 ABGB Cc1c(Cl)c(C(=O)NN)nn1C 2578449 DFWIFXSMPUBZKW-UHFFFAOYSA-N 188.618 -0.015 50 40 ABGB CCNC(=O)N/C=C(\C#N)C=O 5795295 IVRTUNZZSOBITC-GQCTYLIASA-N 167.168 -0.088 50 40 ABGB N#C/C(=C/N1CCNC1=S)C(N)=O 6293176 GLOWNIZLLYWTEH-PLNGDYQASA-N 196.235 -0.931 50 40 ABGB OB(O)c1ccc2cccnc2n1 238648857 VKHKHEQSYXSMNS-UHFFFAOYSA-N 173.968 -0.690 50 40 ABGB CCOc1cc(B(O)O)cnc1F 209777467 DYZJVTGMDRHEJB-UHFFFAOYSA-N 184.963 -0.701 50 40 ABGB C=C(C)C(=O)NN 39189673 WRCDBWVYCOKFIO-UHFFFAOYSA-N 100.121 -0.448 50 40 ABGB N#Cc1ncc(CCl)[n+]([O-])c1N 1859119 NWGJEEGPWSHZLN-UHFFFAOYSA-N 184.586 -0.092 50 40 ABGB CN(C)C(C)(C)C(=O)NN 30769494 HOHCPNGUNZRMLP-UHFFFAOYSA-N 145.206 -0.684 50 40 ABGB O=C/C(=C\O)[N+](=O)[O-] 100074462 JBBHDCMVSJADCE-HNQUOIGGSA-N 117.060 -0.139 50 40 ABGB in-vitro C[n+]1cccc(C(=O)NN)c1 392666 HQKWVABSZSQLEB-UHFFFAOYSA-O 152.177 -0.885 50 40 ABGB OB(O)c1ccc2cc[nH]c2n1 169969267 ABXAFNCFVWHRHU-UHFFFAOYSA-N 161.957 -0.757 50 40 ABGB NNC(=O)NC[C@@H]1CCCO1 36948146 OKUPKNBPTNTTKA-YFKPBYRVSA-N 159.189 -0.662 50 40 ABGB NCC(=O)N1CC[C@H](Cl)C1 79390765 XHHDZZUORDRWJM-YFKPBYRVSA-N 162.620 -0.215 50 40 ABGB CCCC[C@@H](N)B(O)O 195762769 KKWSSPUIRYKIAT-RXMQYKEDSA-N 130.984 -0.484 50 40 ABGB OC1CN(CCCl)C1 199539989 PBPXLPWCPXJZGN-UHFFFAOYSA-N 135.594 -0.098 50 40 ABGB NNC(=O)c1cc([N+](=O)[O-])c[nH]1 4218152 ZBSOAZSDZAQXCU-UHFFFAOYSA-N 170.128 -0.474 50 40 ABGB in-vitro C/C=C\C(=O)NN 8579303 MTANTOSWGQDIGK-IHWYPQMZSA-N 100.121 -0.448 50 40 ABGB CN1CCCC[C@H]1C(=O)NN 39136625 SCDYQYASUAZAMO-LURJTMIESA-N 157.217 -0.539 50 40 ABGB N/C=C\C=O 100257156 UCRYVFBKCBUURB-UPHRSURJSA-N 71.079 -0.342 50 40 ABGB in-vitro CN(C)c1cc(C(=O)NN)ccn1 37400290 JGGZIHFGEMXEQU-UHFFFAOYSA-N 180.211 -0.249 50 40 ABGB in-vitro COc1cc(F)cc(F)c1B(O)O 238351703 PYRDVIXFPCTKFD-UHFFFAOYSA-N 187.938 -0.347 50 40 ABGB C=CCB(O)O 195885132 QGLVEAGMVUQOJP-UHFFFAOYSA-N 85.899 -0.355 50 40 ABGB O=S1(=O)CC[C@@H](O)[C@H]1Cl 40166205 ZQHWEZFQCDXSTP-DMTCNVIQSA-N 170.617 -0.269 50 40 ABGB Cc1occc1B(O)O 170029867 MTBAJDRMFOCUIH-UHFFFAOYSA-N 125.920 -0.732 50 40 ABGB in-vitro CCOc1cnccc1B(O)O 169969338 SMKGVAUDYNSOBP-UHFFFAOYSA-N 166.973 -0.840 50 40 ABGB Cc1c(CO)ccc(B(O)O)c1C 169994911 NDYOOBLPKKGMTQ-UHFFFAOYSA-N 180.012 -0.524 50 40 ABGB in-vitro NNC(=O)[C@H](N)Cc1ccccc1 2031987 UHYBQLHLHAROJR-MRVPVSSYSA-N 179.223 -0.454 50 40 ABGB O=C(NCCO)NCCCl 5113615 ZRZGGEMBAWCTNR-UHFFFAOYSA-N 166.608 -0.483 50 40 ABGB in-vitro OB(O)c1c(Cl)ccc(O)c1F 169994872 VHBSCHINLGAFRL-UHFFFAOYSA-N 190.366 -0.136 50 40 ABGB in-vitro Cc1[nH]nc(O)c1C[C@H](C)C(=O)NN 2297897 NWGGPWLMQAXPSC-BYPYZUCNSA-N 198.226 -0.408 50 40 ABGB C[C@@]1(N=C=O)CCS(=O)(=O)C1 3866023 DIVFCGOVYXWJEF-ZCFIWIBFSA-N 175.209 -0.101 50 40 ABGB COCOc1c(C)cccc1B(O)O 198185436 WURJKMIOEBCCJN-UHFFFAOYSA-N 196.011 -0.342 50 40 ABGB O=Cc1[nH]c(=O)[nH]c(=O)c1CCl 1642649 LIYSTICONMDDEZ-UHFFFAOYSA-N 188.570 -0.386 50 40 ABGB COC(=O)/C=C\C=O 38611094 CRBJVPSOOMDSPT-IHWYPQMZSA-N 114.100 -0.086 50 40 ABGB COc1cc(C(=O)NN)cc(N)c1O 85412469 URFZOLFOLYIBSW-UHFFFAOYSA-N 197.194 -0.414 50 40 ABGB O=C(O)[C@H](O)[C@@H](Cl)C(=O)O 1675898 RPYFCSSBCCDMQG-JCYAYHJZSA-N 168.532 -0.876 50 40 ABGB COOC(OOC)[C@H](C)O 604938061 WOBFVIPXQHLLAO-BYPYZUCNSA-N 152.146 -0.151 50 40 ABGB C[C@@H](NCc1ccco1)C(=O)NN 22538925 RRPSAIUMPFVVCV-ZCFIWIBFSA-N 183.211 -0.252 50 40 ABGB O=[N+]([O-])C[C@@H](O)CCl 1733870 GHOZXWSYKQABAS-VKHMYHEASA-N 139.538 -0.137 50 40 ABGB CC1(CC(=O)NN)OCCO1 1762090 XWJPNDADRZFIEG-UHFFFAOYSA-N 160.173 -0.871 50 40 ABGB C[C@H]1CCCCN1CC(=O)NN 8727417 LKLNIFJQFZOEOG-ZETCQYMHSA-N 171.244 -0.149 50 40 ABGB N#C/C=C\c1ccccc1B(O)O 169809512 IBOPZLYQFBLSRH-HYXAFXHYSA-N 172.980 -0.097 50 40 ABGB NS(=O)(=O)[C@@H]1CC[C@@H](Cl)NC1 31738403 WDRSXOHMSMRESG-UHNVWZDZSA-N 198.675 -0.408 50 40 ABGB CC1=NNC(=O)[C@H]1C[C@H](C)C(=O)NN 100743314 SFKWVASKJRARQT-NJGYIYPDSA-N 198.226 -0.876 50 40 ABGB COc1cc(SC)c(B(O)O)cn1 169995074 GAPDVMBKJLWADV-UHFFFAOYSA-N 199.040 -0.508 50 40 ABGB NNC(=O)[C@@H]1CCc2oncc2C1 575424827 OJUSJABUIBICAU-RXMQYKEDSA-N 181.195 -0.231 50 40 ABGB CCNC(=O)N/C=C(/C#N)C=O 100204866 IVRTUNZZSOBITC-XQRVVYSFSA-N 167.168 -0.088 50 40 ABGB C/C(N)=C(/C#N)C(=O)O 100092232 YAWLDYBYFGSVLD-ONEGZZNKSA-N 126.115 -0.173 50 40 ABGB CC1=C(C#N)C(=O)NC(=O)/C1=C\N 16694019 OGOGKGYHZDMZJO-DJWKRKHSSA-N 177.163 -0.675 50 40 ABGB O=C1C[C@H](Cl)CNN1 98181485 FLAKNDCPCYKXFJ-VKHMYHEASA-N 134.566 -0.382 50 40 ABGB O=C(CCl)N1CC(O)C1 170279545 KDRDRWLTSZRXRD-UHFFFAOYSA-N 149.577 -0.572 50 40 ABGB COC(=O)/C(C#N)=C1/CC[C@@H](O)N1C 15872161 VAJOWGNVEGYJLV-NFXKFNAJSA-N 196.206 -0.019 50 40 ABGB NNC(=O)C[C@@H]1CCCO1 88242888 LWLUABIZEBVACF-YFKPBYRVSA-N 144.174 -0.455 50 40 ABGB in-vitro OB(O)c1ccc(F)c(F)c1O 238622979 DPYYAEHMLHHCLP-UHFFFAOYSA-N 173.911 -0.650 50 40 ABGB N#CSc1c(N)nc[nH]c1=O 36396729 BOWHXRJYKXSFBJ-UHFFFAOYSA-N 168.181 -0.075 50 40 ABGB COc1ccc(B(O)O)c2cc[nH]c12 204514280 OCMWTEUWRUDXPG-UHFFFAOYSA-N 190.995 -0.144 50 40 ABGB CO[P@](=O)(O)C[C@@H](C)C(=O)NN 4748449 IRMLQHLGRYSWPH-SCSAIBSYSA-N 196.143 -0.556 50 40 ABGB CC#Cc1ccc(B(O)O)cc1 200991203 JPNDILSIDYBSML-UHFFFAOYSA-N 159.981 -0.262 50 40 ABGB CC[C@H](C(=O)NN)N1CCCC1 22538979 ZSNPBGYXTCLPJB-SSDOTTSWSA-N 171.244 -0.149 50 40 ABGB NNC(=O)CCSc1ncccn1 70152988 GXRIYFUGHYZDFG-UHFFFAOYSA-N 198.251 -0.051 50 40 ABGB N[C@H]1C[C@H](Br)OC1=O 675082829 ONQXTUYDSMHOLJ-STHAYSLISA-N 180.001 -0.018 50 40 ABGB CC(C)CN(N)C(N)=O 1641677 VMXQPONDPXTFOQ-UHFFFAOYSA-N 131.179 -0.103 50 40 ABGB O=C=NCC1COC1 96509821 PIVTYRWYFKWNFS-UHFFFAOYSA-N 113.116 -0.031 50 40 ABGB COCCc1ccc(C(=O)NN)n1C 226030152 IVGOIVWFQOPKGX-UHFFFAOYSA-N 197.238 -0.183 50 40 ABGB CC1=NNC(=O)[C@@H]1C[C@H](C)C(=O)NN 100743313 SFKWVASKJRARQT-UJURSFKZSA-N 198.226 -0.876 50 40 ABGB Cn1c(C(=O)NN)c[nH]c1=S 225319274 BZNUFJVMOQDUDT-UHFFFAOYSA-N 172.213 -0.314 50 40 ABGB NCCNCCCl 19365278 ROEFKEVLUXXGJH-UHFFFAOYSA-N 122.599 -0.227 50 40 ABGB C[C@@H](Br)C(=O)NN 104562298 HBYOBMWHJABUQS-UWTATZPHSA-N 167.006 -0.240 50 40 ABGB Cl[C@@H]1CCN[C@H]2NCN[C@@H]21 2060992641 CWYAQOOTTXUUSM-PBXRRBTRSA-N 161.636 -0.568 50 40 ABGB CC(C)NNC(=O)c1cc[n+]([O-])cc1 238197512 YDTLIMVDEAPFFZ-UHFFFAOYSA-N 195.222 -0.037 50 40 ABGB O=CN/N=C(\CCC(=O)O)C(=O)O 16136287 PVOBQRMIRCSQCV-XBXARRHUSA-N 188.139 -0.962 50 40 ABGB in-vitro C[C@@H](C(=O)NN)C(C)(C)O 1602496 XFELTQISKKNJNJ-BYPYZUCNSA-N 146.190 -0.617 50 40 ABGB N[C@@H](COC(=O)CCl)C(=O)O 1686701 UQMIQMRWMQVLLH-VKHMYHEASA-N 181.575 -0.820 50 40 ABGB CC(C)=NNC(=O)CN1CCOCC1 31636755 MUYUMENHVVLYQV-UHFFFAOYSA-N 199.254 -0.169 50 40 ABGB NC(=O)NNC(=O)Cc1ccccc1 13404430 KTHPLUPDQVZNND-UHFFFAOYSA-N 193.206 -0.071 50 40 ABGB CO[C@H](CO)[C@@H](Br)CO 95080181 UHKBTDWTYPQWLS-CRCLSJGQSA-N 199.044 -0.251 50 40 ABGB in-vitro C[C@H]1C[C@H](C)CN(CC(=O)NN)C1 22538841 ZHZFXAYJKIDLBK-YUMQZZPRSA-N 185.271 -0.046 50 40 ABGB NNC(=O)[C@H]1CCCC1=O 39064127 LBQINFIHGCPGIZ-BYPYZUCNSA-N 142.158 -0.655 50 40 ABGB COc1cc(C)cc(F)c1B(O)O 169995048 QNBJMPVDWYFFSD-UHFFFAOYSA-N 183.975 -0.177 50 40 ABGB in-vitro CCOc1cnc(C(=O)NN)o1 27752799 IRYWAJPCGWYCHX-UHFFFAOYSA-N 171.156 -0.323 50 40 ABGB NC(=S)NNC(=O)c1ccccn1 1662300 ZVWYMFPMFFKXMT-UHFFFAOYSA-N 196.235 -0.440 50 40 ABGB Cc1nn(C)c(C(=O)NN)c1[N+](=O)[O-] 2567030 JOZKVXZQMABDMW-UHFFFAOYSA-N 199.170 -0.760 50 40 ABGB CNC(=O)N(C)N=O 3793045 BHMHNSQLZKUIMD-UHFFFAOYSA-N 117.108 -0.061 50 40 ABGB investigational N/N=C/c1ccc(C(=O)NN)cc1 5893814 PZVHQUVADJIGCT-VZUCSPMQSA-N 178.195 -0.417 50 40 ABGB NNC(=O)[C@@H]1CCCC1=O 39064128 LBQINFIHGCPGIZ-SCSAIBSYSA-N 142.158 -0.655 50 40 ABGB COc1cc(F)c(B(O)O)cc1OC 169994842 ZXESUNZYCLCARB-UHFFFAOYSA-N 199.974 -0.477 50 40 ABGB in-vitro O=C1CC[C@H](NC(=O)CCl)CN1 82276879 HGSABNAMFMKEEF-YFKPBYRVSA-N 190.630 -0.380 50 40 ABGB C=CCNCCC(=O)NN 19736933 ZGICJCZUGCLNAW-UHFFFAOYSA-N 143.190 -0.858 50 40 ABGB OB(O)c1cccc(-c2ncc[nH]2)c1 199048375 DWLQCSBVHXNSBW-UHFFFAOYSA-N 187.995 -0.244 50 40 ABGB in-vitro N[C@H]1C[C@@H](Br)OC1=O 675082827 ONQXTUYDSMHOLJ-HRFVKAFMSA-N 180.001 -0.018 50 40 ABGB CC(C)CNCCC(=O)NN 58841237 PRFKODQMVQCUBI-UHFFFAOYSA-N 159.233 -0.388 50 40 ABGB NNC(=O)[C@@H]1CCO[C@H]1C(F)F 225755506 ICGUXWKNIOAHNF-QWWZWVQMSA-N 180.154 -0.354 50 40 ABGB CCOOC[C@H](N)C(=O)O 100016039 CIDSYPRRUWQDQI-BYPYZUCNSA-N 149.146 -0.634 50 40 ABGB O=C1C[C@H]2C[C@@H]1[C@H]1C(=O)OC(=O)[C@H]21 100494332 ZCXGUBDTAVCGOT-GFKUXRSRSA-N 180.159 -0.089 50 40 ABGB O=C(CCCl)NN=C1NCCN1 1645660 KIPZHINDKFZDKZ-UHFFFAOYSA-N 190.634 -0.805 50 40 ABGB CNC(=O)/C(C#N)=C/N(C)C 92040 JONZGHCELDAFSQ-AATRIKPKSA-N 153.185 -0.299 50 40 ABGB Cc1ccc(C[C@@H](N)B(O)O)cc1 694943402 YIHFEARMBAFZKC-SECBINFHSA-N 179.028 -0.123 50 40 ABGB N#CC1=C2C(=O)N=C(N)N=C2N=C1 6293061 CXOHWJIYWYQKAT-UHFFFAOYSA-N 173.135 -0.856 50 40 ABGB COC(=O)C/N=C(\N)CCl 12568310 ZRZPPYMUXOJOGP-UHFFFAOYSA-N 164.592 -0.245 50 40 ABGB COc1ccc(C#N)c(B(O)O)c1 238340550 MCEMWCPYTYVVKF-UHFFFAOYSA-N 176.968 -0.753 50 40 ABGB COCOc1cc(B(O)O)ccc1C 169995253 ZUMYKVLDXXANGN-UHFFFAOYSA-N 196.011 -0.342 50 40 ABGB COC(=O)[C@@H](C)N=C=O 4267146 ZYILYULSVKLHKZ-SCSAIBSYSA-N 129.115 -0.116 50 40 ABGB COC(=O)CC/C=N\NC(N)=O 5437785 OJRQINCWHDBXIM-YWEYNIOJSA-N 173.172 -0.406 50 40 ABGB COc1ccc(F)c(C=O)c1B(O)O 169995244 NNUUKTREEYXKJL-UHFFFAOYSA-N 197.958 -0.673 50 40 ABGB in-vitro CCCOC[C@@H](O)CCC(=O)NN 2289005 XCAXRTJKMBFUHH-ZETCQYMHSA-N 190.243 -0.456 50 40 ABGB CC1=C(C#N)C(=O)N[C@]1(C)O 1579443 SLXPAVKRBGVJJA-SSDOTTSWSA-N 152.153 -0.335 50 40 ABGB CC(=O)CC(=O)NN(C)C 1615604 YTWLVHXFXBUCLI-UHFFFAOYSA-N 144.174 -0.442 50 40 ABGB NNC(=O)CCCCC(=O)O 1700249 ALEBYBVYXQTORU-UHFFFAOYSA-N 160.173 -0.379 50 40 ABGB CC(=O)CC(=O)N(NC=O)C(C)C 3040666 LHYHNIGFGHMVTH-UHFFFAOYSA-N 186.211 -0.137 50 40 ABGB OB(O)c1cc(O)ncc1Cl 238619611 LJYAOEQIHNMAGT-UHFFFAOYSA-N 173.364 -0.880 50 40 ABGB N#C/C(C(N)=O)=C1/NCCS1 239562990 PDVUUIVZOAMWAT-UHFFFAOYSA-N 169.209 -0.457 50 40 ABGB NCCCC[C@H]1NC(=O)OC1=O 100389800 FCATYYOPYTXOIZ-RXMQYKEDSA-N 172.184 -0.250 50 40 ABGB OB(O)c1cc(F)cc2cn[nH]c12 575631006 DAQKKJDGIUOMQB-UHFFFAOYSA-N 179.947 -0.618 50 40 ABGB N[C@H](CCl)C(=O)NO 17120004 QCWBXJPECQJXKJ-UWTATZPHSA-N 138.554 -0.942 50 40 ABGB in-vitro CC[C@@H](C(=O)NN)N1CCOCC1 22539024 ZMWTYHJEMSGSEO-ZETCQYMHSA-N 187.243 -0.913 50 40 ABGB NC(=O)NC(=O)CBr 1664793 IIOUXXMRKBVCNM-UHFFFAOYSA-N 180.989 -0.424 50 40 ABGB O=C1NCC[C@@H](O)[C@@H]1Cl 13386280 DYKPLOLHTPIGQK-DMTCNVIQSA-N 149.577 -0.525 50 40 ABGB biogenic CO[C@H](C(=O)NN)C(C)C 22539179 BPBYGKQJYCOLBT-YFKPBYRVSA-N 146.190 -0.353 50 40 ABGB O=C1C[C@@H](Br)C(=O)N1 111361622 JNETYVLEGPSOFY-UWTATZPHSA-N 177.985 -0.204 50 40 ABGB N/C(CCCl)=N\S(N)(=O)=O 5368875 QZFCNUHDVLMXDA-UHFFFAOYSA-N 185.636 -0.824 50 40 ABGB Cc1nc(C)c(B(O)O)s1 199838846 HDKUYVMTVVOHFK-UHFFFAOYSA-N 157.003 -0.560 50 40 ABGB CC[C@](C)(OC)C(=O)NN 22123828 GXGWWJQXNAEULO-LURJTMIESA-N 146.190 -0.209 50 40 ABGB C[C@]1(C(=O)NN)CCCCO1 47218869 XOECOZDNFPORSW-SSDOTTSWSA-N 158.201 -0.065 50 40 ABGB Cc1ccc(N(C)C)cc1B(O)O 196954939 AJBBUAFACTUWSI-UHFFFAOYSA-N 179.028 -0.259 50 40 ABGB Cc1nccc(B(O)O)c1C 202199029 HWCDMDXESHLLKF-UHFFFAOYSA-N 150.974 -0.622 50 40 ABGB NNC(=O)c1cccc(N)n1 45823821 KIZIYKSOOXNJRU-UHFFFAOYSA-N 152.157 -0.733 50 40 ABGB CCN(CC)CCC(=O)NN 2635404 FAXGCFPTKUTKRD-UHFFFAOYSA-N 159.233 -0.292 50 40 ABGB in-vitro C[C@H]1C[C@@H](C)CN(CC(=O)NN)C1 22538835 ZHZFXAYJKIDLBK-OCAPTIKFSA-N 185.271 -0.046 50 40 ABGB N#CCc1ccccc1B(O)O 199024502 GNWXFAMBRLCXFK-UHFFFAOYSA-N 160.969 -0.568 50 40 ABGB CC(C)(C)NC(=O)NN 163278 RQRLGHDOAMWLLQ-UHFFFAOYSA-N 131.179 -0.042 50 40 ABGB COc1nc(OC)c(B(O)O)cc1C 642814743 UWFFAOLMNDPOIN-UHFFFAOYSA-N 196.999 -0.913 50 40 ABGB Cn1ccc(C(=O)NN)c1 226033552 JRARMNLQZBTMBB-UHFFFAOYSA-N 139.158 -0.371 50 40 ABGB O=C1NCC[C@H](O)[C@H]1Cl 13386281 DYKPLOLHTPIGQK-IUYQGCFVSA-N 149.577 -0.525 50 40 ABGB biogenic C[C@H](Cl)C(=O)NN 82105317 FLVUXLDWKBVZFD-REOHCLBHSA-N 122.555 -0.396 50 40 ABGB CC(=O)NN(C)C(C)=O 1615131 XDILHIDHUKDARQ-UHFFFAOYSA-N 130.147 -0.484 50 40 ABGB CC(=O)N[C@H](C)/C(C)=N/NC(N)=O 17156561 YGWICYYBFINLPM-HQRBNBNMSA-N 186.215 -0.445 50 40 ABGB CC(C)(SC(=N)N)B(O)O 195784047 OMLPWHGDVZYKCI-UHFFFAOYSA-N 162.023 -0.596 50 40 ABGB CC(C)(C)C(=O)NNC(N)=S 92952 SJVMQEATVGBDNL-UHFFFAOYSA-N 175.257 -0.103 50 40 ABGB C[C@H](CC(=O)NN)n1cncn1 28051434 FPYLDCZNWOPYJP-RXMQYKEDSA-N 169.188 -0.781 50 40 ABGB OB(O)c1ccnn1C1CCC1 204113425 OUXIFRHGKFTTRO-UHFFFAOYSA-N 165.989 -0.712 50 40 ABGB O=C(O)CNC(=O)C(Cl)Cl 1608635 OANZIWQVCBABCH-UHFFFAOYSA-N 185.994 -0.009 50 40 ABGB N/C=C/C=O 39369735 UCRYVFBKCBUURB-OWOJBTEDSA-N 71.079 -0.342 50 40 ABGB in-vitro CC(C)(C)NC(=S)NNC(N)=O 307294134 CMMFTLUJBUNTMQ-UHFFFAOYSA-N 190.272 -0.168 50 40 ABGB C[C@@H](Cl)C(=O)NN 82105318 FLVUXLDWKBVZFD-UWTATZPHSA-N 122.555 -0.396 50 40 ABGB C[N+](C)(C)Cc1ccc(B(O)O)cc1 169809334 NWBRBFNLOVPRPZ-UHFFFAOYSA-N 194.063 -0.427 50 40 ABGB NC(=S)NNC(=O)c1ccncc1 1653125 VXVGIABASNIWKS-UHFFFAOYSA-N 196.235 -0.440 50 40 ABGB N[C@H](COC(=O)CCl)C(=O)O 5830147 UQMIQMRWMQVLLH-GSVOUGTGSA-N 181.575 -0.820 50 40 ABGB CN(C)CCN1CC(N)=C(C#N)C1 96526621 JLCLLPJIBMAKAZ-UHFFFAOYSA-N 180.255 -0.400 50 40 ABGB CCC(=O)NNC(=O)/C=C/C(=O)O 2287937 LEABXWUDWYLKMR-ONEGZZNKSA-N 186.167 -0.815 50 40 ABGB Cc1nn(CC(=O)NN)cc1Cl 2549477 YYGIOJSFYFIUSP-UHFFFAOYSA-N 188.618 -0.165 50 40 ABGB CCNC(=S)NNC(=O)CC 16957746 BGXWTSVYNGJJEH-UHFFFAOYSA-N 175.257 -0.088 50 40 ABGB NNC(=O)CCc1c[nH]cn1 39136944 DRBFGXBSMGOXAO-UHFFFAOYSA-N 154.173 -0.668 50 40 ABGB in-vitro CN(C)C(=O)CN(C)C(=O)CCl 3330519 ITBBWVSPWDSWRK-UHFFFAOYSA-N 192.646 -0.228 50 40 ABGB C/C(CCl)=N/N=C(N)N 5831017 PFAKVDNMGVXKKW-BAQGIRSFSA-N 148.597 -0.126 50 40 ABGB CC(C)(CO)[C@H]1OOC1=O 100014518 PEMICFJYIINBJR-BYPYZUCNSA-N 146.142 -0.138 50 40 ABGB O=c1[nH]cc(NCCCl)c(=O)[nH]1 1671278 WEGIIMNVVVHGKX-UHFFFAOYSA-N 189.602 -0.286 50 40 ABGB CC(C)(C)NCC(=O)NN 36720871 UBJVKQCHWGPIBK-UHFFFAOYSA-N 145.206 -0.636 50 40 ABGB NNC(=O)CCn1cc([N+](=O)[O-])cn1 2549512 IKJMDTYYJRUJMS-UHFFFAOYSA-N 199.170 -0.829 50 40 ABGB O=P(O)(O)OC[C@H](O)CCl 5411266 SQPBDQRPUZEAQD-GSVOUGTGSA-N 190.519 -0.305 50 40 ABGB