smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN/C(=C/[N+](=O)[O-])NCCCl 39331602 BSRMPIUBLXOMPP-PLNGDYQASA-N 179.607 0.110 50 10 ACGE CCC(=O)O/C=C/C#N 39406487 WFQIEOPQNCSFHD-HWKANZROSA-N 125.127 0.977 50 10 ACGE Cn1cc(C(=O)NCCCl)cn1 40972502 FTKPHDOMCPTAPC-UHFFFAOYSA-N 187.630 0.389 50 10 ACGE O=C=N[C@@H]1CCN(C2CC2)C1 62822174 SHLLOJASOIMSGK-SSDOTTSWSA-N 152.197 0.559 50 10 ACGE COC(=O)N(C=O)/C=C/C=C/C=O 75576187 IVHBUXMKKWRYIM-ZUVMSYQZSA-N 183.163 0.480 50 10 ACGE C[C@@H](F)CN=C=O 82127848 RVFRHVILZYRLLD-SCSAIBSYSA-N 103.096 0.680 50 10 ACGE CCCN(CC)CCCC(=O)NN 82466759 DBDQKNOTENLMOW-UHFFFAOYSA-N 187.287 0.488 50 10 ACGE Cn1ccc(-c2n[nH]c(CCl)n2)n1 86560626 CWFLGHCRLPRQDB-UHFFFAOYSA-N 197.629 0.944 50 10 ACGE CCOC(=O)[C@H]1CCC[C@@]1(O)C#N 91351489 MSKSALIWFAFBFO-VXNVDRBHSA-N 183.207 0.604 50 10 ACGE CC(=O)O[C@@H](CCl)[C@H](C)O 104685680 TUYABDIFGLNPGP-NJGYIYPDSA-N 166.604 0.538 50 10 ACGE N/C=C/C=C/C=O 104698381 MMOXSMMALNTUPG-ZPUQHVIOSA-N 97.117 0.214 50 10 ACGE COc1nccc(N=C=O)n1 107455244 AHKGFQABELUSAQ-UHFFFAOYSA-N 151.125 0.453 50 10 ACGE CCCCCN1CC(=O)OC(=O)C1 111217497 ZJHDPIPLNAJWMX-UHFFFAOYSA-N 185.223 0.562 50 10 ACGE N#C[C@H](O)C1(F)CCOCC1 114022143 NBTJRSDVRLPEOH-LURJTMIESA-N 159.160 0.390 50 10 ACGE CC[C@H](O)S(=O)(=O)CCCl 147638530 SMFGZCZWNNXBST-RXMQYKEDSA-N 186.660 0.368 50 10 ACGE NC(=O)[C@H](Cl)[C@@H]1CCCO1 149455941 RQDLFHBUTYZFRE-CRCLSJGQSA-N 163.604 0.258 50 10 ACGE CN(C)C[C@H](O)CBr 156300433 HUQXOTBWOWUKAE-RXMQYKEDSA-N 182.061 0.304 50 10 ACGE CC1(C)[C@@H](O)C[C@H]1NC(=O)CCl 168196086 IWSZNHLYFMVYNT-RITPCOANSA-N 191.658 0.501 50 10 ACGE CCOC(=O)[C@](C)(N)[C@H](F)Cl 197546018 WVLZBDSETJTKSU-UJURSFKZSA-N 183.610 0.801 50 10 ACGE COC/C=C\C#N 212026179 GPNISLPZDBITJJ-IHWYPQMZSA-N 97.117 0.713 50 10 ACGE C[C@H](Br)[C@H](O)CCCO 220675104 XDEGCRHMEOZUFK-NTSWFWBYSA-N 197.072 0.903 50 10 ACGE N#C[C@H](N=C=O)[C@H]1CCSC1 224740772 BMKABDFUXHCMMY-BQBZGAKWSA-N 168.221 0.967 50 10 ACGE CC(=O)[C@H]1CC(=O)O[C@H]1CCl 238069718 FMINPMDDQGBSFK-RITPCOANSA-N 176.599 0.746 50 10 ACGE CCC[C@H](O)[C@H](O)CBr 238264824 HZYSLHNKBQQWMF-NTSWFWBYSA-N 197.072 0.903 50 10 ACGE CCOC(=O)C1(N=C=O)CC=CC1 238301770 LGOGNMZCQZXQBL-UHFFFAOYSA-N 181.191 0.974 50 10 ACGE NC(=O)N/N=C/c1ccc(NO)o1 238566518 IABKEDDTDTWWRF-FPYGCLRLSA-N 184.155 0.083 50 10 ACGE O=C1C[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]2C(=O)O1 256457862 ZHRLFUOROPZHGR-AZRUVXNYSA-N 178.187 0.898 50 10 ACGE N#C[C@H](O)c1ccc(F)c(O)c1O 260313159 XXYNMSXQTUPXRG-LURJTMIESA-N 183.138 0.794 50 10 ACGE C/C(=N\NC=O)c1scnc1C 306209090 HWTAKFXECHRKGI-UXBLZVDNSA-N 183.236 0.922 50 10 ACGE NNC(=O)[C@H]1C[C@H]2C=C[C@H]1CCC2 306912642 SGFUPYONIHEMML-HLTSFMKQSA-N 180.251 0.969 50 10 ACGE C[C@H](NC(=O)NN(C)C)C1CC1 306979654 DVQSTNKYWHYLKX-LURJTMIESA-N 171.244 0.561 50 10 ACGE N#CC1=CSCC1=O 307359765 FRCUFNUQOMTHDA-UHFFFAOYSA-N 125.152 0.710 50 10 ACGE CCC[C@@](C)(O)/C(C)=N/NC(N)=O 307981645 FWVDYZMQSQKQBF-VSBFRKNKSA-N 187.243 0.582 50 10 ACGE NNC(=O)/C=C\c1cscn1 308184221 IFCRKZPCYZUAKG-UPHRSURJSA-N 169.209 0.146 50 10 ACGE C/C=C(\CC)C(=O)NNC(=O)CC 308188831 LZBZZYXKZKJJIP-QPJJXVBHSA-N 184.239 0.900 50 10 ACGE CCOC1CC(=NN(C)C(N)=O)C1 378865229 YWDCNSQBSXIRRJ-UHFFFAOYSA-N 185.227 0.552 50 10 ACGE CC(=O)NN=Cc1conc1C 382009027 CJGKUPSGMPMGTK-UHFFFAOYSA-N 167.168 0.453 50 10 ACGE C[C@H]1N(C(=O)NN)CCOC1(C)C 606258781 QMMDCXHWLHWTND-ZCFIWIBFSA-N 187.243 0.069 50 10 ACGE C[C@H]1CCNC[C@@H]1NC(=O)CCl 616569998 PMNNHTUQLAMFBV-BQBZGAKWSA-N 190.674 0.339 50 10 ACGE COC(=O)N1CCOC[C@@H]1Cl 616639249 IXHJKLUNFYKFMM-RXMQYKEDSA-N 179.603 0.650 50 10 ACGE CN(N)C(=O)[C@]12CCC[C@H]1OCC2 687384881 LSCIGSXNGAVYAE-APPZFPTMSA-N 184.239 0.278 50 10 ACGE Cc1cccc([C@@H](O)C#N)[n+]1[O-] 687757193 MKZMKBWBVVKQSD-QMMMGPOBSA-N 164.164 0.185 50 10 ACGE CO[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCl 689890779 NZILXLDYWKWZCM-RRKCRQDMSA-N 191.658 0.765 50 10 ACGE CNNC(=O)c1sccc1OC 704608967 RREOUZSXOOYIFG-UHFFFAOYSA-N 186.236 0.621 50 10 ACGE COC1CC(CNC(=O)CCl)C1 705649783 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1954244199 VJAHXDJCJKTQPX-LURJTMIESA-N 198.609 0.685 50 10 ACGE NC[C@H]1CC[C@@H](CCl)CO1 2241271854 WVMJJNHYSRDLIO-NKWVEPMBSA-N 163.648 0.979 50 10 ACGE NNC(=O)CSCCC1CCC1 2241703271 SDLFGUHBYJCORT-UHFFFAOYSA-N 188.296 0.900 50 10 ACGE N#C[C@]1(O)[C@H]2CCC[C@@H]1C[C@@H](N)C2 2241738628 HQAUPJLSTDWIJP-CHIWXEEVSA-N 180.251 0.778 50 10 ACGE CC(C)C(=O)NCCC(=O)Cl 11895475 MNVZJWHOVOVOHY-UHFFFAOYSA-N 177.631 0.914 50 10 ACGE O=CC1=C2CCCN2CC1 24404753 NGVBACVKKHRXQK-UHFFFAOYSA-N 137.182 0.939 50 10 ACGE COC(C)(OC)/C(N)=C/C#N 62715847 QCQUVKOBNOJSOV-XQRVVYSFSA-N 156.185 0.362 50 10 ACGE C[C@H]1CN(C(=O)Cl)CCN1C 86894339 ISEFGLAHZDDOPS-LURJTMIESA-N 176.647 0.981 50 10 ACGE Cc1nocc1N=C=O 107454530 NHPYTZJUGOYXDG-UHFFFAOYSA-N 124.099 0.950 50 10 ACGE O=C=Nc1cnc2nccn2c1 107456237 JGRXXBMBTCBRJE-UHFFFAOYSA-N 160.136 0.697 50 10 ACGE CCO[C@@](C)(OC)[C@@H](O)C#N 135923916 CBOLNBBPFSGEJS-NKWVEPMBSA-N 159.185 0.270 50 10 ACGE CN(C)/N=C1\C=CC=C1C=O 147652399 KPCGBLHRJUPGPN-CMDGGOBGSA-N 150.181 0.599 50 10 ACGE N#CC1=CC=CCC(=O)N1 169593639 OFQXYEMVXIOBMR-UHFFFAOYSA-N 134.138 0.470 50 10 ACGE Cc1cc(B(O)O)c(O)cc1Cl 216707821 RIXKVQLAFVKENL-UHFFFAOYSA-N 186.403 0.034 50 10 ACGE CN(N)C(=O)NCC(F)(F)F 217409990 OUQLIJDUIICVMI-UHFFFAOYSA-N 171.122 0.064 50 10 ACGE CO[C@H]1CCCC[C@]1(O)C#N 223852759 VOUCMDLGUPSRSL-YUMQZZPRSA-N 155.197 0.830 50 10 ACGE CC1(C)OC[C@H](Cl)[C@H](O)CO1 238173855 NFLBXAQXENKCHD-NTSWFWBYSA-N 180.631 0.738 50 10 ACGE CC(=O)[C@H](Cl)N1CCOCC1 238194740 QJFOCMIUNKHCEN-SSDOTTSWSA-N 177.631 0.473 50 10 ACGE CC[C@@]1(O)NC(=O)C(C#N)=C1C 238280391 YQVAXITWRNPLBC-QMMMGPOBSA-N 166.180 0.055 50 10 ACGE CCNNC(=O)[C@H](O)c1ccccc1 238280949 QUVSTTTVALECKQ-SECBINFHSA-N 194.234 0.361 50 10 ACGE ClCCN[C@H]1CN2CCC1CC2 238567006 VBMQWMDUEPGVHQ-VIFPVBQESA-N 188.702 0.909 50 10 ACGE OB(O)c1cc(F)c2ccccc2c1 238641164 UMDNOINEWGQPEY-UHFFFAOYSA-N 189.982 0.659 50 10 ACGE O=C/C=C/[C@H]1CCCS(=O)(=O)C1 259626255 FSFPNWHRZGOFAA-LKVYWMSASA-N 188.248 0.566 50 10 ACGE N#C[C@]1(O)CCc2cocc21 260957774 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50 10 ACGE CCCN(C(=O)F)C1CNC1 1880308942 BVZVSFULYWVJHV-UHFFFAOYSA-N 160.192 0.760 50 10 ACGE CO[C@@H]1C=CCN(C(=O)F)C1 1880335132 CLXKBINLFJUKHW-ZCFIWIBFSA-N 159.160 0.963 50 10 ACGE C[C@@H](CN)[S@](=O)C[C@H]1C[C@@H]1Cl 1880433108 BXASRIZAKWAKQW-QMWPFBOUSA-N 195.715 0.710 50 10 ACGE ClCC=CCNN1CCOCC1 1880542314 SVBTUGUGDLINBE-UHFFFAOYSA-N 190.674 0.618 50 10 ACGE CC[C@H](O)CNC(=O)C[C@H](C)Cl 1880632055 KSNUZCJFFOKVQD-BQBZGAKWSA-N 193.674 0.891 50 10 ACGE C[C@@H](CN(C)C)NCC#CCCl 1880675630 MWSFGCFOWOVIHK-VIFPVBQESA-N 188.702 0.768 50 10 ACGE O=C=Nc1cccn2nncc12 1881010599 XEJLDLNHFHPMGB-UHFFFAOYSA-N 160.136 0.697 50 10 ACGE NC[C@H]1CO[C@H](CNC(=O)F)C1 1881053963 WCLSEMIDJKZBRT-WDSKDSINSA-N 176.191 0.029 50 10 ACGE CC1(C)C[C@@H](CNC(=O)CCl)O1 1881126357 HKXDOVIIWVQCRW-LURJTMIESA-N 191.658 0.909 50 10 ACGE NC(=O)NN=C1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 1881180914 JENFTJGPYLWWAY-MOOBDJKMSA-N 165.196 0.297 50 10 ACGE NC[C@@H]1CC[C@@H]1NC[C@@H]1C[C@@H]1Cl 1881366948 TVHHEOSLRBQBDF-JBDRJPRFSA-N 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F[C@@H]1OCCO[C@@H]1Cl 210415504 IUUSUVXPUJNLNR-IUYQGCFVSA-N 140.541 0.894 50 10 ACGE CC1=C(C=O)CN2C=C(N)C=CC2=N1 212828184 HFCMXEHUSYYIPK-UHFFFAOYSA-N 189.218 0.543 50 10 ACGE O=C=NC1(CF)CCNCC1 213765908 DZOOBWNUQNWHPB-UHFFFAOYSA-N 158.176 0.414 50 10 ACGE COC(OC)[C@H](C)[C@@H](O)CCl 214956049 PNORVZNPLKXPNL-RITPCOANSA-N 182.647 0.841 50 10 ACGE CNC(=O)CSSC 222186457 OBADWOZVGNWNCC-UHFFFAOYSA-N 151.256 0.744 50 10 ACGE COC[C@H](N)CCCl 228124287 QYTDCPRBTODIRO-RXMQYKEDSA-N 137.610 0.589 50 10 ACGE CC(C)Cc1ccc(F)c(B(O)O)c1 238172684 FYLGYWWIYLLVFT-UHFFFAOYSA-N 196.030 0.704 50 10 ACGE CC1(C)O[C@H](O)[C@@](O)(CCl)O1 238189534 SQPJVINIKRMFPR-UJURSFKZSA-N 182.603 0.015 50 10 ACGE CC1(C)NC(=C(C#N)C#N)SC1=O 238255808 BCZGBYCNZREMOP-UHFFFAOYSA-N 193.231 0.887 50 10 ACGE C[C@H](Cl)[C@@H]1CC(=O)O1 238437891 IYWNMZJDYLEFFU-IMJSIDKUSA-N 134.562 0.929 50 10 ACGE C[C@](Cl)(CO)[C@@H](Cl)CO 238482248 BCRGGLPJXTUTNF-WHFBIAKZSA-N 173.039 0.576 50 10 ACGE ClCCOB1OCCCO1 238567500 VFSSVCAAHLYEHZ-UHFFFAOYSA-N 164.397 0.664 50 10 ACGE CC(C)C[C@H](N)C=NNC(N)=O 256668049 OBOHGVCRJLPLSI-LURJTMIESA-N 172.232 0.014 50 10 ACGE CCCCOCC(=O)N(C)N 259020762 PTUPNOFZKRXDLX-UHFFFAOYSA-N 160.217 0.135 50 10 ACGE N#C[C@H](O)c1nc2ccncc2o1 259834388 RRMZFMKBYCLSQQ-LURJTMIESA-N 175.147 0.780 50 10 ACGE COC(=O)Cc1c[nH]nc1CCl 259856623 RPVTZOXVKPJUGH-UHFFFAOYSA-N 188.614 0.864 50 10 ACGE CC(C)(C)NC(=O)/C(C#N)=C(/N)O 306186314 AVLNWXPRJJMKJH-WAYWQWQTSA-N 183.211 0.153 50 10 ACGE C[C@H]1CCC(=O)N1C[C@H](O)CCl 306418355 VBJJECDLEFCHDN-NKWVEPMBSA-N 191.658 0.597 50 10 ACGE C[C@@H]1C(=O)O[C@H]2C[C@H](Cl)[C@H]1O2 306435857 BZZPOPTWRSQOKU-BXKVDMCESA-N 176.599 0.902 50 10 ACGE N#CC1(NC(=O)CCl)CC1 306508131 AJLCILKIMRKWEP-UHFFFAOYSA-N 158.588 0.398 50 10 ACGE CCn1ccnc1/C=N/NC(C)=O 306709440 LULHZRAMXPUKJV-UXBLZVDNSA-N 180.211 0.373 50 10 ACGE Cl[C@@H]1CO[C@H]2CCO[C@@H]21 307039186 IVYSWVNPPVPBRV-NGJCXOISSA-N 148.589 0.782 50 10 ACGE CNC(=O)N/N=C(/C)c1ccco1 307299127 RFPHKZRZKRLECF-POHAHGRESA-N 181.195 0.933 50 10 ACGE OC1CN(C/C=C/CCl)C1 307432719 ZZIUNOIIGQJIBR-OWOJBTEDSA-N 161.632 0.458 50 10 ACGE Cn1nccc1[S@](=O)Cl 307706192 ZMZUVVOOJWVRCJ-VIFPVBQESA-N 164.617 0.682 50 10 ACGE NC(=O)NN=C1C[C@H]2C=CCC[C@H]12 379233343 XMZUITANDSJZRF-RQJHMYQMSA-N 179.223 0.997 50 10 ACGE CCOC=NNC(=O)c1ccc[nH]1 379339713 PFLUXDKZJLEVBY-UHFFFAOYSA-N 181.195 0.724 50 10 ACGE CC[C@H](NC(=O)[C@@H](C)Cl)[C@@H](C)O 386880970 MBIOMWZMVRFJNB-QYNIQEEDSA-N 193.674 0.889 50 10 ACGE CCSCCOCCC(=O)NN 393209175 IKBCOOSIDLSCJJ-UHFFFAOYSA-N 192.284 0.136 50 10 ACGE C=CC[C@@H](CC)N1CC(=O)OC(=O)C1 393857493 WGWMILCVQJAMGG-MRVPVSSYSA-N 197.234 0.727 50 10 ACGE C[C@@H]1CC[C@@]2(CO1)CC(=O)OC2=O 401371595 KCLUKIBNKFHBAD-MUWHJKNJSA-N 184.191 0.645 50 10 ACGE O=[S@](Cl)CF 675067823 JWFVKGNEAILZCH-YFKPBYRVSA-N 116.544 0.816 50 10 ACGE CNNC(=O)[C@H]1CCCC1(F)F 704609546 VOVNHCHPYQOAEU-RXMQYKEDSA-N 178.182 0.672 50 10 ACGE CC(C)C[C@@H](OC1CC1)C(=O)NN 713290160 CFZVVLFUYIOBRO-MRVPVSSYSA-N 186.255 0.570 50 10 ACGE C[C@H](OCCCC(=O)NN)C1CC1 719076611 LFIDIVCIZFBFRV-ZETCQYMHSA-N 186.255 0.572 50 10 ACGE C[C@H]1CC[C@@H](OCCC(=O)NN)C1 721534940 IYGCOLGOURYXDU-JGVFFNPUSA-N 186.255 0.572 50 10 ACGE CCC(C)=NNC(=O)c1cnn(C)c1 735413190 HFKWZQPQQZTRME-UHFFFAOYSA-N 194.238 0.936 50 10 ACGE C[C@@H]1COCC[C@H]1NC=C(C#N)C#N 760991494 YMLAAPAZLURHEM-PSASIEDQSA-N 191.234 0.932 50 10 ACGE NNC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 876789224 XQXTZYRSYGXQPG-JAJWTYFOSA-N 166.224 0.268 50 10 ACGE NC(=O)NNC(=O)C[C@H]1C=CCCC1 885848727 NFGGBLBIPOKQHF-ZETCQYMHSA-N 197.238 0.432 50 10 ACGE O=C1C[C@@H](CC2CC2)C(=O)O1 1535879545 GBNKKFXDDVOCKH-ZCFIWIBFSA-N 154.165 0.876 50 10 ACGE [C-]#[N+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 1536214290 LXXLLIXQBIFWNU-NKWVEPMBSA-N 173.237 0.729 50 10 ACGE O=C=NCC[C@H]1CCS(=O)(=O)C1 1536214535 PZXHZWHEMVUCAF-ZETCQYMHSA-N 189.236 0.147 50 10 ACGE Cc1ccc(/C=N/NC(N)=O)[nH]1 1873496208 JCRFELNDGZQMGY-RUDMXATFSA-N 166.184 0.325 50 10 ACGE CC[C@@H]1C[C@H]1COCCC(=O)NN 1877780900 FNJUMARTBZDTPB-SFYZADRCSA-N 186.255 0.429 50 10 ACGE NCC[C@H]1C[C@@H]1Cl 1879941298 VUJSGASJXQLMGT-WHFBIAKZSA-N 119.595 0.963 50 10 ACGE CNC(=O)[C@H]1C[C@@H]1Br 1879946628 JLTWGAGSAGYTBM-IMJSIDKUSA-N 178.029 0.516 50 10 ACGE N[C@@H](CBr)[C@H]1CCNC1 1879967961 SNMKWYPDSVQYFH-WDSKDSINSA-N 193.088 0.318 50 10 ACGE O=C(F)N1CCN[C@@H]2C[C@@H]21 1880055499 JTFQXIKEEHRVLO-UHNVWZDZSA-N 144.149 0.122 50 10 ACGE CNCC[C@H](C)NC(=O)F 1880056156 USYILUZMVOUYEE-YFKPBYRVSA-N 148.181 0.664 50 10 ACGE CO[C@H](CCl)[C@H]1COC[C@H]1N 1880217731 VBGVKPFDBVZPIH-RRKCRQDMSA-N 179.647 0.214 50 10 ACGE C=CCC[C@@H](CO)NC(=O)F 1880315620 FWTXZFBKGQCNCS-LURJTMIESA-N 161.176 0.993 50 10 ACGE Cc1ncncc1C(=O)N=C=O 1880774660 AIWJMHCYXSUYLE-UHFFFAOYSA-N 163.136 0.261 50 10 ACGE C[C@H]1C[C@H](C(=O)N(C)N)CCO1 1880944011 AVABGQFFKKKQLX-NKWVEPMBSA-N 172.228 0.134 50 10 ACGE C[C@@]1(CO)COCCN1C(=O)F 1881052097 WCWJPXSULMNVAQ-SSDOTTSWSA-N 177.175 0.159 50 10 ACGE O=C(O)C[C@@H]1CCN(C(=O)F)C1 1881052330 ZJUCBMGRSGXKLX-YFKPBYRVSA-N 175.159 0.873 50 10 ACGE C[C@@H](NC(=O)F)C1CS(=O)(=O)C1 1881053584 QVDKWQWYHKDEMG-SCSAIBSYSA-N 195.215 0.099 50 10 ACGE O=[N+]([O-])C1CN(C[C@@H]2C[C@H]2Cl)C1 1881374045 PWSDUFAWPZBTQI-CAHLUQPWSA-N 190.630 0.575 50 10 ACGE O=C(Cl)C=CC(=O)NN1CCC1 1881389922 YMOGAJOCLCBGJF-UHFFFAOYSA-N 188.614 0.045 50 10 ACGE OC[C@@H]1[C@H]2C[C@@H]2CN1CCCCl 1881459879 OTNAEUKBGKENQC-HRDYMLBCSA-N 189.686 0.928 50 10 ACGE COC[C@@H]1CC[C@H](C(=O)N(C)N)C1 1882324189 SZFHHAGUWXIJBP-SFYZADRCSA-N 186.255 0.381 50 10 ACGE O=C(O)[C@@H]1[C@@H]2CCN(C(=O)F)C[C@H]21 1882777430 FDTMTNOHIQFBRS-HSUXUTPPSA-N 187.170 0.728 50 10 ACGE C#CCCN(C)C(=O)C=CC(=O)Cl 1883627475 VKLYCYOSVMFGLF-UHFFFAOYSA-N 199.637 0.790 50 10 ACGE COC(=O)C(C#N)=C(C)C(C)(C)N 1883658321 CRZVKIZBSQAQDL-UHFFFAOYSA-N 182.223 0.737 50 10 ACGE C[C@](N)(C(=O)NN)C1CCCCC1 1884094595 OBHQRUAQAWRVIE-SECBINFHSA-N 185.271 0.274 50 10 ACGE CCC(C)(CC)OCCC(=O)NN 1884173909 BFKBQTKQPWYHHT-UHFFFAOYSA-N 188.271 0.962 50 10 ACGE O=C=NC(=O)c1ccn2cnnc2c1 1887283525 PIFOYEMZTBSNBR-UHFFFAOYSA-N 188.146 0.205 50 10 ACGE C=CC[C@@H](C=C)OC[C@H](C)C(=O)NN 1888720426 BTLGTRHPEOJIOL-DTWKUNHWSA-N 198.266 0.760 50 10 ACGE NNC(=O)CCOCC1CC(F)C1 1893664742 HGIJFTMVSNTUAV-UHFFFAOYSA-N 190.218 0.131 50 10 ACGE CC(C)(O)C(=CC#N)SCCO 1911537151 NZRQURUZODFBRJ-UHFFFAOYSA-N 187.264 0.890 50 10 ACGE CC(N[C@@H](C)CF)=C(C#N)C(N)=O 1911599272 WQCHIGYDRIPXCQ-YFKPBYRVSA-N 185.202 0.217 50 10 ACGE COC(=O)CNCC=CCCl 1911700932 GTWKPHYAESZUMQ-UHFFFAOYSA-N 177.631 0.544 50 10 ACGE CNC(=O)C(C#N)=CC(C)C 1923865419 ALUQPGQGXJRMQZ-UHFFFAOYSA-N 152.197 0.838 50 10 ACGE O=C=NC(=O)[C@@H]1C[C@@H]2C[C@@H]2CO1 1931603835 JZUGDHXOPOZTCN-XVMARJQXSA-N 167.164 0.274 50 10 ACGE C[C@@H](Cl)C(=O)C1CS(=O)(=O)C1 1933079942 QOPJNEGLXPOGPJ-SCSAIBSYSA-N 196.655 0.227 50 10 ACGE C[C@@H](CCl)C(=O)NCC1COC1 1933420735 BQOSPRXJXXKUDW-LURJTMIESA-N 191.658 0.624 50 10 ACGE CNNC(=O)[C@@H]1C[C@@H]1C(F)(F)F 1935090554 UQOYEHZWFIYNJF-DMTCNVIQSA-N 182.145 0.435 50 10 ACGE C[C@@]12CC[C@H]1CCN2C(=O)NN 1935360429 QIUWRZFMPLMTPF-POYBYMJQSA-N 169.228 0.444 50 10 ACGE C[C@@]1([C@H](N)B(O)O)CC=CCC1 1953359288 ZWZBUGBSSWEXSU-JGVFFNPUSA-N 169.033 0.072 50 10 ACGE CNNC(=O)[C@H]1[C@H]2CCCC[C@H]21 1953374386 SYCBRHDSJPIQDK-RNLVFQAGSA-N 168.240 0.673 50 10 ACGE O[C@H](CCl)CN1CC2CC(C2)C1 1953596302 ZNWCGWSKQAEUKP-AMDVSUOASA-N 189.686 0.928 50 10 ACGE CCC(C)(C)CN1CC[C@@H](B(O)O)C1 1963150138 FHKHHWMFZMXZRJ-SECBINFHSA-N 199.103 0.971 50 10 ACGE C[C@H](OC[C@@]1(F)C[C@H]1C)C(=O)NN 2209230155 ZLSBTSGUIRRYCY-CHKWXVPMSA-N 190.218 0.130 50 10 ACGE CC[C@H]1C[C@H]1CCN(C)CC(=O)NN 2209849281 MAGGKERRJHKEQW-DTWKUNHWSA-N 199.298 0.344 50 10 ACGE CC=CCCNC(=O)C1(B(O)O)CC1 2241473700 OIYJZNNHFSKYFL-UHFFFAOYSA-N 197.043 0.076 50 10 ACGE C[C@@]12CO[C@@H](C1)[C@H](N=C=O)C2 2241842660 NZLOSRVWRLVCLF-CSMHCCOUSA-N 153.181 0.890 50 10 ACGE C[C@@H](NC(=O)F)[C@H]1CCCN1 2241888492 JHTLKUSKRRGVID-PHDIDXHHSA-N 160.192 0.806 50 10 ACGE C[C@H](Cl)COCC#Cc1cnn[nH]1 2242467782 COARVAQKBQVKMI-ZETCQYMHSA-N 199.641 0.800 50 10 ACGE C[C@@H]1O[C@H](C)CC=C1C=NNC(N)=O 5340324 HJGMMCQLBKIEIX-RQJHMYQMSA-N 197.238 0.764 50 10 ACGE O=C(CCl)N[C@@H]1CCCC[C@H]1O 34497604 VGVXFCUWRNVJOS-RNFRBKRXSA-N 191.658 0.645 50 10 ACGE N#C[C@@H](O)[C@H](N)c1ccccc1 59751562 AGINGQNGZNIKFQ-RKDXNWHRSA-N 162.192 0.571 50 10 ACGE [C-]#[N+][C@H](CC)C(=O)O 60298886 HBLAXMITNSURQX-SCSAIBSYSA-N 113.116 0.769 50 10 ACGE S=C=NCCCc1ncn[nH]1 70819769 FVTUIWCLEUGMDK-UHFFFAOYSA-N 168.225 0.840 50 10 ACGE C=C(C#N)[C@H](C)O 75517053 YWHFEWPKYNNWRC-YFKPBYRVSA-N 97.117 0.447 50 10 ACGE in-vitro C[C@@H](CS(C)(=O)=O)N=C=S 81904191 PDOSQBOGMALWGS-YFKPBYRVSA-N 179.266 0.522 50 10 ACGE CN(CC(=O)NN)Cc1cccs1 82467484 HRJPCQQRCYGCQL-UHFFFAOYSA-N 199.279 0.170 50 10 ACGE CN(CC(C)(C)O)C(=O)CCCl 86274442 VCHFQQXDLZGUCX-UHFFFAOYSA-N 193.674 0.845 50 10 ACGE COC/C(=N/NC(N)=O)C1CC1 87198152 YUNUOQQMUPGDIL-TWGQIWQCSA-N 171.200 0.067 50 10 ACGE CC(=O)[C@]1(C)OO[C@@H](C)O1 100053175 ZRJOSKNHDXJRKF-WDSKDSINSA-N 146.142 0.616 50 10 ACGE CC(C)N/C=C(\F)C=O 104692222 YLGAGYXTNZJZDA-UTCJRWHESA-N 131.150 0.994 50 10 ACGE CO[C@H](C#N)CCl 104732773 YZSSRLGDSDQLME-BYPYZUCNSA-N 119.551 0.764 50 10 ACGE C=CCOC(=O)C[C@@H](O)CCl 114356405 ZJAABTPEKAAHTA-ZCFIWIBFSA-N 178.615 0.705 50 10 ACGE CC1(C)OC[C@H]([C@@H](O)C#N)O1 138276624 OJMYOOIIIFMBLB-NTSWFWBYSA-N 157.169 0.022 50 10 ACGE CC/C(C=O)=C/C=O 142640417 QUMFAIHIBKQSII-UTCJRWHESA-N 112.128 0.721 50 10 ACGE C[C@@H]1CCC[C@H](C(=O)NN(C)C)N1 147944681 NNJSCTYVAFGYKI-HTQZYQBOSA-N 185.271 0.110 50 10 ACGE O[C@@H](CCl)COC[C@@H]1CCOC1 156272902 HKJNPFYJIXXBND-SFYZADRCSA-N 194.658 0.639 50 10 ACGE [C-]#[N+]CC(=O)N1CCSCC1 166133006 XQHOJYXLGDTJEQ-UHFFFAOYSA-N 170.237 0.481 50 10 ACGE C[Si](C)(C)[C@@H]1O[C@H]1[C@H](O)C#N 195825696 ZAVQEBXZOFZSJP-VQVTYTSYSA-N 171.272 0.516 50 10 ACGE O=C(Cl)[C@H](O)Cl 199960623 NABBVDLPPITPRF-SFOWXEAESA-N 128.942 0.309 50 10 ACGE COC(=O)[C@@H](C)[C@@H](Cl)C(=O)OC 209016466 NQYJLBWWEQLHGE-CRCLSJGQSA-N 194.614 0.576 50 10 ACGE 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0.996 50 10 ACGE CO[C@@H](C)C[S@@](=O)Cl 675070459 AIBKUEPOMGXAKV-RNHFCUEFSA-N 156.634 0.924 50 10 ACGE CO/C=C\[C@H](O)CCl 687677801 UEHOKXAYLALSTH-KQLGLEPJSA-N 136.578 0.746 50 10 ACGE COCC(=CC#N)COC 702615587 RQVWPGJENZLJMF-UHFFFAOYSA-N 141.170 0.729 50 10 ACGE C[C@@H](Cl)[C@H](O)C[N+](=O)[O-] 702828828 RDUREQSZJDWLPV-QWWZWVQMSA-N 153.565 0.251 50 10 ACGE CN(N)C(=O)CC[C@@H]1CCCO1 704705893 KDMPDMHHWKWWCF-ZETCQYMHSA-N 172.228 0.278 50 10 ACGE CN(C)NC(=O)[C@H]1CCCC[C@]1(C)N 725608833 LKGVHKLKIJNIBD-SCZZXKLOSA-N 199.298 0.487 50 10 ACGE CCC(C)(C)[C@@H](C)NC(=O)NN 829122368 CFCPWHIZMKTGBO-ZCFIWIBFSA-N 173.260 0.984 50 10 ACGE CC1=C=C(C=O)NC([C@@H]2CCOC2)=N1 885591466 JKVGDUIHBJRGNR-MRVPVSSYSA-N 192.218 0.610 50 10 ACGE CC[N+]1=C=C(C2=C[C@H](Cl)CC2)NN1 885889327 PEOZWNJQBJCQFQ-MRVPVSSYSA-N 198.677 0.923 50 10 ACGE C[C@@H](O)C(=O)NN=Cc1ccco1 1084407531 IBYLDKIFUPDEJR-ZCFIWIBFSA-N 182.179 0.111 50 10 ACGE ClCC1=NCNC1 1086765661 JWPMEOZVWCARRP-UHFFFAOYSA-N 118.567 0.227 50 10 ACGE 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0.920 50 10 ACGE CC(=O)[C@H](Cl)CCCO 39125680 WOAHALQAMNYBFU-ZCFIWIBFSA-N 150.605 0.955 50 10 ACGE C[C@H](N)C[C@@H](Cl)CCN 44397544 CLHNVPAHGWRKAJ-WDSKDSINSA-N 150.653 0.680 50 10 ACGE C[C@]1(c2cccnc2)CC(=O)OC1=O 59093749 XXHPFPHISQBQPM-SNVBAGLBSA-N 191.186 0.813 50 10 ACGE C[C@H](N=C=O)[C@@H]1CCCO1 62822028 RLLNYNXMMOYCHV-BQBZGAKWSA-N 141.170 0.890 50 10 ACGE CNCCN(C)C(=O)[C@@H](C)CCl 69803041 XRRORGRKBFGRIW-ZETCQYMHSA-N 192.690 0.539 50 10 ACGE CCC(C)(C)OCC(=O)NN 82464354 QUWPARWSJKRAHB-UHFFFAOYSA-N 160.217 0.182 50 10 ACGE C[C@@H](Cl)C1=NC(=O)[C@H](F)C(=O)N1 122073424 DNNAXPZWEHHZMQ-UWTATZPHSA-N 192.577 0.007 50 10 ACGE C[C@H](O)C(C)(C)NC(=O)CCCl 128162086 NNCDJVLYJIBGTC-LURJTMIESA-N 193.674 0.891 50 10 ACGE C[C@H](N=C=O)[C@H]1CCOC1 158748051 JTKMXPAQXVELBG-BQBZGAKWSA-N 141.170 0.747 50 10 ACGE CNC(=O)CCNC/C=C/CCl 162561883 PPNLQMDRZBLNFQ-NSCUHMNNSA-N 190.674 0.507 50 10 ACGE CC(C)(C)[C@H]1CCN(C(=O)NN)C1 166505961 GEDXVOSJBWXXBZ-ZETCQYMHSA-N 185.271 0.938 50 10 ACGE C=C(C#N)C(=O)NCCCOCCC 199114794 LLXSTROTIBBSHB-UHFFFAOYSA-N 196.250 0.999 50 10 ACGE C[C@@H](O)[C@@H](Cl)P(=O)(O)O 207770019 SXGHZYUCWBOXMG-GBXIJSLDSA-N 174.520 0.110 50 10 ACGE O=C=N[C@H]1CCCN1 213529035 DHJFSSZINRDQPT-YFKPBYRVSA-N 112.132 0.032 50 10 ACGE COCCO/C(C=O)=C\N(C)C 219255671 FMGARTJUFCWNDS-VURMDHGXSA-N 173.212 0.251 50 10 ACGE O=C/C=C\SCC(=O)O 225422273 LOVLZRFSKZXYNH-IWQZZHSRSA-N 146.167 0.517 50 10 ACGE COC[C@@H](CCl)NC(C)=O 228926448 QXMGKCGQZUISKS-ZCFIWIBFSA-N 165.620 0.376 50 10 ACGE C[C@]1([C@@H]2CCOC2)CC(=O)OC1=O 229660236 XGUNSNSIESGVRN-HZGVNTEJSA-N 184.191 0.503 50 10 ACGE ClCc1cn(-c2cncnc2)nn1 232093784 VSXKWQJVYFTDKY-UHFFFAOYSA-N 195.613 0.796 50 10 ACGE CC(C)(CO)NC(=O)NCCCl 238115184 IWXBGBJBHXRNSB-UHFFFAOYSA-N 194.662 0.295 50 10 ACGE C=C(C=O)C1(C)OCCO1 238227837 NFWMYGVDXVFVKX-UHFFFAOYSA-N 142.154 0.505 50 10 ACGE CC1(C)CNC(=O)N[C@@H]1Cl 238229429 GSPFDUFQSWXXFF-BYPYZUCNSA-N 162.620 0.890 50 10 ACGE COC(=O)CSC(=O)CCl 238322055 SWSAQHWIASBAFB-UHFFFAOYSA-N 182.628 0.658 50 10 ACGE COC[C@H](O)[C@@H](Cl)CCl 238378589 BIDSAHCRIJFSNG-WHFBIAKZSA-N 173.039 0.840 50 10 ACGE OB(O)[C@H]1C[C@@H]1c1cccnc1 238610705 FWTHKEQPQHSVKJ-SFYZADRCSA-N 162.985 0.412 50 10 ACGE NC(=O)/C(=N/O)SCCCCl 238624521 OUVRWTCAMCFDMR-YVMONPNESA-N 196.659 0.622 50 10 ACGE O=C/C=C/[C@@H]1C[C@@H]2OC(=O)C[C@@H]2O1 238636123 XYWCUSQXDJXHTJ-QPBMGCEESA-N 182.175 0.215 50 10 ACGE CN1CC[C@](O)(C#N)C(C)(C)C1 260898554 HOWDOEMRTGEPOC-VIFPVBQESA-N 168.240 0.603 50 10 ACGE NNC(=O)c1cc2ccccc2n1O 306335825 TVPGORMJYLJTPS-UHFFFAOYSA-N 191.190 0.482 50 10 ACGE NC(=O)N/N=C/[C@@H](O)c1ccccc1 306450236 BXYJKSPLQDJZKK-JMUHATKESA-N 193.206 0.374 50 10 ACGE C[C@@H](Cl)c1cn(CCN)nn1 306473268 UOUPTIXRWYCVGY-RXMQYKEDSA-N 174.635 0.537 50 10 ACGE CCN(C)NC(=O)c1ccccn1 306541872 UHFCUMQVMGDZAC-UHFFFAOYSA-N 179.223 0.678 50 10 ACGE CCCC1(N2CC(=O)OC(=O)C2)CC1 306559483 LMQKLIKUDNXSSC-UHFFFAOYSA-N 197.234 0.705 50 10 ACGE CC(=O)N1C[C@@H](Cl)[C@@H](CO)C1 306744463 IKUFABLRHLAIJX-RNFRBKRXSA-N 177.631 0.064 50 10 ACGE CO[C@@H]1CN(C)C[C@H]1CCl 307343124 WRCXENWWTAHXJG-RNFRBKRXSA-N 163.648 0.802 50 10 ACGE N#CN/C(C#N)=C(\Cl)C#N 307532627 ZPMZUDSBKCYHOR-PLNGDYQASA-N 152.544 0.555 50 10 ACGE C[C@H]1CN(C)CC[C@@]12CC(=O)OC2=O 307605035 XPHFESGQNXVMNA-OIBJUYFYSA-N 197.234 0.418 50 10 ACGE CC[C@@H](O)[C@H](C)NC(=O)CCl 307664562 ZCJQJEJSLKFSAJ-NTSWFWBYSA-N 179.647 0.501 50 10 ACGE CNC(=O)[C@@H](C)NC/C=C\CCl 307905257 AXLXOKITGYGJMD-KFOINNEUSA-N 190.674 0.506 50 10 ACGE CC[C@@H](CO)N(C)C[C@H](Cl)C#N 379032674 XPRLBVJHULMPTJ-SFYZADRCSA-N 190.674 0.820 50 10 ACGE COC(/C=C/N(C)C)=C(\C#N)C(=O)O 379504504 QPLDTBQAVSPEOV-AOSYACOCSA-N 196.206 0.570 50 10 ACGE C[C@H](Cl)[C@@H](Cl)C=NNC(N)=O 383472375 FOXCBBNTXJPSEZ-IMJSIDKUSA-N 198.053 0.875 50 10 ACGE CC(C)=C[C@](C)(O)C(C)=NNC(N)=O 383552288 XPTRSCBXVUJQOP-VIFPVBQESA-N 199.254 0.748 50 10 ACGE NC(=O)NN=C1C[C@@H]2[C@@H]3[C@H]1[C@@H]3C21CC1 393571336 YLVCQXRREPDSPP-CCXZUQQUSA-N 191.234 0.687 50 10 ACGE CC(C)c1cnn([C@H](C)C(=O)NN)c1 402048289 PIYSSJZGUSZGFS-SSDOTTSWSA-N 196.254 0.557 50 10 ACGE CN1CCCCn2nc(N=C=O)nc21 527024147 CWTCZUGNALZJNZ-UHFFFAOYSA-N 193.210 0.475 50 10 ACGE CO[C@@H](C)CNC(=O)Cl 575499981 CLPRIACXYYUVIQ-BYPYZUCNSA-N 151.593 0.970 50 10 ACGE CN(N)C(=O)c1cccc(C#N)c1 606252141 IGZHREVXQCJLQA-UHFFFAOYSA-N 175.191 0.504 50 10 ACGE CC1CN(CCCCC(=O)NN)C1 698599636 JSPFAPIHEHZTTA-UHFFFAOYSA-N 185.271 0.098 50 10 ACGE NNC(=O)CCCN1C[C@@H]2CCC[C@H]21 706724735 KQXVWYAPNJSTMZ-DTWKUNHWSA-N 197.282 0.241 50 10 ACGE CC[C@H](C(=O)NN)N1C[C@@H]2CCC[C@@H]21 706724866 OEYSXGXEKUMWRD-YIZRAAEISA-N 197.282 0.239 50 10 ACGE C[C@@H](O)C1CN(C(=O)OCCl)C1 719932188 JRAKMZXILWRBMA-RXMQYKEDSA-N 193.630 0.632 50 10 ACGE NNC(=O)[C@@H]1C[C@H]1C1CCOCC1 876788999 QFLHYMBAYJXHNV-JGVFFNPUSA-N 184.239 0.039 50 10 ACGE COCC1=C=C([O])NC(CCl)=N1 885202441 KZRASQPLUSDAQR-UHFFFAOYSA-N 187.606 0.628 50 10 ACGE CCn1cncc1[C@@H]1CC(=O)OC1=O 1535757822 XSSQMSQDGCRLHM-LURJTMIESA-N 194.190 0.460 50 10 ACGE Cc1cc([C@@H]2CC(=O)OC2=O)on1 1535789628 TVHHALVASSQMDP-YFKPBYRVSA-N 181.147 0.540 50 10 ACGE CNC(=O)[C@H]1C[C@H]1Br 1879946629 JLTWGAGSAGYTBM-IUYQGCFVSA-N 178.029 0.516 50 10 ACGE CNCC[C@H](C)[C@@H](N)CCl 1880023347 CTDQDCFABMHCPN-BQBZGAKWSA-N 164.680 0.798 50 10 ACGE COC1CC([C@@H](N)CCl)C1 1880025969 QMMQZCZPVWXOJF-AHXFUIDQSA-N 163.648 0.978 50 10 ACGE NC[C@@H](CNC(=O)F)C1CC1 1880309315 JZQXBMYXPRSDRR-LURJTMIESA-N 160.192 0.650 50 10 ACGE C[C@@H](CNC(=O)F)S(C)(=O)=O 1880312750 OEERXIXFLUUPHQ-BYPYZUCNSA-N 183.204 0.099 50 10 ACGE NCCCOCCOC(=O)F 1880312964 QPAOGOONOWKETA-UHFFFAOYSA-N 165.164 0.458 50 10 ACGE CN(N)C(=O)NC1(C)CCC1 1880346116 ISSXSIANCQQHEH-UHFFFAOYSA-N 157.217 0.444 50 10 ACGE N[C@H](CCl)C[C@@H]1COCCO1 1880463386 UJSHGPJMBNSFMJ-NKWVEPMBSA-N 179.647 0.358 50 10 ACGE CC1(C)CN(C(=O)F)[C@@H]1C(=O)O 1881054525 CXCJJLRCJCVLAF-SCSAIBSYSA-N 175.159 0.871 50 10 ACGE O[C@H](CNC[C@@H]1C[C@@H]1Cl)C(F)F 1881372007 BLDRWBDELLZKRL-HCWXCVPCSA-N 199.628 0.829 50 10 ACGE Cn1cnc(=NC[C@H]2C[C@@H]2Cl)[nH]1 1881374566 URXLIEAENZIWJT-RITPCOANSA-N 186.646 0.276 50 10 ACGE C[C@@H]1C[C@@H]1NC(=O)/C=C/C(=O)Cl 1881395716 LSKAVXDYTIMOHA-QQTLEDFYSA-N 187.626 0.833 50 10 ACGE CC(C)(C)[C@@H]1C[C@@H]1NC(=O)NN 1881505628 KFGVCHSNDMIXIJ-RITPCOANSA-N 171.244 0.594 50 10 ACGE CC[C@@]1(C)CCN1[C@@H](C)C(=O)NN 1881943029 VNAQESIKDGOTSR-CBAPKCEASA-N 185.271 0.239 50 10 ACGE Cn1nnc2cccc(CN=C=O)c21 1886197649 FZZBPHZAIPUPJW-UHFFFAOYSA-N 188.190 0.804 50 10 ACGE C=CCCN1CC[C@@H](B(O)O)C1 1891560052 OKQAQAJWGVGYCI-MRVPVSSYSA-N 169.033 0.111 50 10 ACGE C=C(CN1CC[C@H]1CC(C)C)B(O)O 1895210738 ALMNTYVTGBUUTG-JTQLQIEISA-N 197.087 0.675 50 10 ACGE CC(N)=C(C#N)C(=O)NC(C)(C)C 1911599859 BEAHVCJRZBWRBE-UHFFFAOYSA-N 181.239 0.657 50 10 ACGE COC1CC2(C1)CC(C(=O)N(C)N)C2 1935002369 CNONXFUELAZPIM-UHFFFAOYSA-N 198.266 0.524 50 10 ACGE COC1(CO)CN(CCCCl)C1 1935346591 CCANKROMXACWAU-UHFFFAOYSA-N 193.674 0.308 50 10 ACGE C[C@H](S)[C@@H](O)C#N 1951369758 WMKRLBKKAKXELR-IMJSIDKUSA-N 117.173 0.189 50 10 ACGE COCC(C)(C)C[C@@H](O)C#N 1951735039 TVEPDDCSKHVTHW-SSDOTTSWSA-N 157.213 0.934 50 10 ACGE C[C@@H](CN)CC(=O)CBr 1953140182 YDMGSWBBNZSOJY-RXMQYKEDSA-N 194.072 0.935 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1CNCCO1 1953232369 MSEFILRUVOWBBX-WDSKDSINSA-N 177.631 0.171 50 10 ACGE ClCC1(CN=c2[nH]nco2)CC1 1953659428 KBAYGUADOJKOLF-UHFFFAOYSA-N 187.630 0.922 50 10 ACGE CC(C)N(CCN)C[C@H](Cl)C#N 1953751346 KECRPMHOQWDYQA-MRVPVSSYSA-N 189.690 0.786 50 10 ACGE NNC(=O)NC1[C@@H]2CCCCC[C@@H]12 1953858413 PWKNORCWPCTMER-RNFRBKRXSA-N 183.255 0.738 50 10 ACGE OO[P]OO 2055784340 KUMZWOBCPXULOI-UHFFFAOYSA-N 96.986 0.742 50 10 ACGE C[C@@H]1C[C@@H]1OC[C@H]1CC[C@H]1C(=O)NN 2209907403 VHWCHPCTJFAEMG-BGZDPUMWSA-N 198.266 0.428 50 10 ACGE CC[C@H](C)N(C)C(=O)C1(B(O)O)CC1 2241473619 NAOXJFAWSFIEOC-ZETCQYMHSA-N 199.059 0.250 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1C[C@]12C[C@H]2N 2241532450 LJVVHWCAHJGDKF-FEEAIGFJSA-N 173.643 0.920 50 10 ACGE C#CCCO[C@H](CC(C)C)C(=O)NN 2241627306 REOMTVPMJLTWBG-SECBINFHSA-N 198.266 0.431 50 10 ACGE CN(C(=O)NN)[C@]1(C)CC1(C)C 2242146339 QWADEZOGXYOZRN-MRVPVSSYSA-N 171.244 0.690 50 10 ACGE C=C(C)/C(CC)=N/NC(N)=O 4974564 UMMSWJCSFDPPPZ-RMKNXTFCSA-N 155.201 0.997 50 10 ACGE C=CCOC[C@H](O)CBr 39168947 XEKCISVMDKJKJH-ZCFIWIBFSA-N 195.056 0.945 50 10 ACGE O=C(Cl)[C@@H]1CCCN1 39216610 VTVJMWZZVJSEMO-BYPYZUCNSA-N 133.578 0.504 50 10 ACGE O=C(CCl)NC1(CO)CCCC1 53067838 HWYNHNAPIZBITG-UHFFFAOYSA-N 191.658 0.647 50 10 ACGE C[C@@H](NC(=O)CCCl)C(=O)O 82265318 XISQJGZFUKAELC-SCSAIBSYSA-N 179.603 0.205 50 10 ACGE CCN(C)S(=O)(=O)[C@@H](C)CCl 84157284 PIHIAQCNRYKCIM-LURJTMIESA-N 199.703 0.895 50 10 ACGE O=C1C(Cl)C(=O)C1Cl 100294030 MIAUEQHDLALTNX-UHFFFAOYSA-N 152.964 0.353 50 10 ACGE NC(=O)Cl 103657982 CKDWPUIZGOQOOM-UHFFFAOYSA-N 79.486 0.304 50 10 ACGE NC(=O)CCC(=O)Cl 104554754 WLCIVIVRMQHKND-UHFFFAOYSA-N 135.550 0.017 50 10 ACGE C=C/C=C/C=N/NC(N)=O 104654609 VUVBXLZEIHLBLX-SALQQRKASA-N 139.158 0.383 50 10 ACGE Cc1nn(CCl)c(=O)s1 104688345 VUBQQTOKDIDKTJ-UHFFFAOYSA-N 164.617 0.810 50 10 ACGE CN(C)C(=O)COCCCl 104714376 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CNNC(=O)C[C@@H]1C[C@H]2C[C@H]2C1 1934687612 HFNDWXJWSLAUPF-RNLVFQAGSA-N 168.240 0.673 50 10 ACGE Cc1cc([C@@H](N)[C@@H](O)C#N)ccc1O 1952838876 PMQNIODCLHSADJ-VHSXEESVSA-N 192.218 0.585 50 10 ACGE N#C[C@H](O)[C@H](N)[C@H]1CCCSC1 1953066998 WSAFMEHZOUZQRD-BIIVOSGPSA-N 186.280 0.341 50 10 ACGE O=C(CCl)[C@@H]1[C@@H]2CCCN[C@H]21 1953237661 WBIRDJDIUQCSBS-APQOSEDMSA-N 173.643 0.792 50 10 ACGE CN(N)C(=O)[C@H]1CCC[C@@H]2C[C@H]12 1953449124 DEIMWDDMBDEFNP-CSMHCCOUSA-N 168.240 0.755 50 10 ACGE CC[C@@H](Cl)C(=O)NCCC(=O)O 1953514494 GSPAPRFVPFWHEG-RXMQYKEDSA-N 193.630 0.595 50 10 ACGE CCCC(CCC)[C@@H](N)B(O)O 1953702938 HUPWHGRGGVAAMZ-MRVPVSSYSA-N 173.065 0.542 50 10 ACGE CO[C@@H]1CC[C@@H](C(=O)N(C)N)C1 1953761948 ACBWSOQXXYWCLD-RNFRBKRXSA-N 172.228 0.134 50 10 ACGE C[C@@H]1[C@H](N)CCN1C[C@@H](Cl)C#N 1953771783 UYXQNZCVXGRBMW-GJMOJQLCSA-N 187.674 0.539 50 10 ACGE N#CC=C1C[C@@H]2CS(=O)(=O)C[C@H]2C1 1954533669 ZTGZWAUVQHBPQX-RKDXNWHRSA-N 197.259 0.891 50 10 ACGE NNC(=O)N1CCc2ncccc2C1 1955605703 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ACGE N#C[C@]1(O)CCc2n[nH]c(C3CC3)c21 260942176 NURNBBADYVJWLQ-SNVBAGLBSA-N 189.218 0.944 50 10 ACGE CCC1(NC(=O)NN)CC1 306744466 ILELOMICOQURMI-UHFFFAOYSA-N 143.190 0.102 50 10 ACGE NC(=O)N/N=C1\[C@H]2C=C[C@H]2[C@H]2C[C@@H]12 307179205 KBCSOMPUEKDGRE-UOFSUMKISA-N 177.207 0.463 50 10 ACGE CCCOC(=O)C1(N=C=O)CC1 307978425 LDNGIZMDROGIKZ-UHFFFAOYSA-N 169.180 0.808 50 10 ACGE CC(=O)NN=C(C)c1cncn1C 308139056 HEBJTPOHQRVCLN-UHFFFAOYSA-N 180.211 0.280 50 10 ACGE O=CNN=C1CCN2CCCC[C@@H]12 308196460 SOPQLEASVWBEEG-VIFPVBQESA-N 181.239 0.347 50 10 ACGE NC(=O)NN=C1C=CC2=C(C1)OCC2 308257138 PUUNSIREPCDUQO-UHFFFAOYSA-N 193.206 0.645 50 10 ACGE COc1ccc(C=NNC=O)cc1 308447038 BUMDTJVYJRVRIX-UHFFFAOYSA-N 178.191 0.775 50 10 ACGE CCC[C@@H](C)[C@@H](C#N)C(=O)NN 318783104 OWNUUROSBZVCJJ-RNFRBKRXSA-N 169.228 0.552 50 10 ACGE C/C(C#N)=C(\C=C/C(=O)O)C(=O)O 383470189 ATZOFQBKEWEMIZ-QFBDUHRLSA-N 181.147 0.552 50 10 ACGE CCN1CC[C@H](N=C=S)C1=O 606251087 PQEVFXAYQOZSAW-LURJTMIESA-N 170.237 0.710 50 10 ACGE 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196.172 0.907 50 10 ACGE O=C(O)CO[C@@H]1CCN(C(=O)F)C1 1882787983 RKTVXCCSQBYHBA-RXMQYKEDSA-N 191.158 0.251 50 10 ACGE CC1(C)C[C@H](O)[C@@H](O)CN1C(=O)F 1882906143 DRTDVASUURRERU-WDSKDSINSA-N 191.202 0.282 50 10 ACGE CC1(C)[C@H](O)C[C@@]1(CO)NC(=O)F 1883297185 CYTHCIUXYNPLPY-XRGYYRRGSA-N 191.202 0.187 50 10 ACGE C=C(CN1CC[C@@H]1C(C)C)B(O)O 1883743750 BGPNDIWGUDBXHZ-SECBINFHSA-N 183.060 0.285 50 10 ACGE COCCCC[C@@H](O)C#N 1889609701 MEZNMRBBJJBHFI-SSDOTTSWSA-N 143.186 0.688 50 10 ACGE C[C@]1(B(O)O)CCN(CCCC#N)C1 1891493870 YMGLYHSRTQVZEW-VIFPVBQESA-N 196.059 0.229 50 10 ACGE C[C@@H]1[C@H](Cl)CCN1S(C)(=O)=O 1914480787 NGUGHGMSPCRZKO-PHDIDXHHSA-N 197.687 0.648 50 10 ACGE NC(=O)NN=C1CC[C@H]2C[C@@H]2C1 1917659299 ATNWVNZDZDKFMH-NTSWFWBYSA-N 167.212 0.831 50 10 ACGE CC[C@H](C)OC(=O)NNC(N)=O 1923513699 YWEXPRHBPPKMBT-BYPYZUCNSA-N 175.188 0.094 50 10 ACGE N#C[C@]1(O)CCNC2(CC2)C1 1934121671 NREILERPYKKKPB-QMMMGPOBSA-N 152.197 0.157 50 10 ACGE N#C[C@@H](O)c1cccnc1F 1951500003 ITXROGWTMKTEOR-ZCFIWIBFSA-N 152.128 0.778 50 10 ACGE N#C[C@@H](O)[C@@H](N)c1cc(O)ccc1F 1952840797 MTFAFQYACNCONI-BDAKNGLRSA-N 196.181 0.416 50 10 ACGE COC(=O)[C@H](Cl)c1cnsn1 1953206570 XHPRWKYRMRARAU-SCSAIBSYSA-N 192.627 0.991 50 10 ACGE C[S@@](=O)CC1CN(C(=O)Cl)C1 1953210234 NYVOVHAYKFYQKC-LLVKDONJSA-N 195.671 0.656 50 10 ACGE NNC(=O)[C@@H]1CC[C@H]2[C@H]1C2(F)F 1953460720 RTHVGNMUXCUXIA-WISUUJSJSA-N 176.166 0.268 50 10 ACGE O=C=NC(=O)c1ccc2nncn2c1 1955428866 YFAYDVUHZXCKQQ-UHFFFAOYSA-N 188.146 0.205 50 10 ACGE N#CC1=CCN(C(=O)CCNO)CC1 1956029109 NMQANRDXMQLEEY-UHFFFAOYSA-N 195.222 0.038 50 10 ACGE C[C@]1(C(=O)NNCCO)CC=CCC1 2209904229 FYUSMPJEPXYSSS-JTQLQIEISA-N 198.266 0.346 50 10 ACGE NC(=O)C[C@H]1CCCN1CCCl 2241683911 MSMUVEWUMGCXOK-SSDOTTSWSA-N 190.674 0.565 50 10 ACGE CC#CCCN1CCC(B(O)O)CC1 2241736237 CFVWNQZVBLVBOD-UHFFFAOYSA-N 195.071 0.339 50 10 ACGE C[C@@H]1CCN(CC(=O)NN)[C@H](C)C1 82468243 GPOOUEYIEIKQGA-HTQZYQBOSA-N 185.271 0.097 50 10 ACGE C[C@H]1CCCN1S(=O)(=O)CCl 82512897 FVUBVUKLERDFMO-LURJTMIESA-N 197.687 0.997 50 10 ACGE CCS(=O)(=O)NCC[C@H](C)Cl 83214262 RJMDZGBHRBEOKF-LURJTMIESA-N 199.703 0.943 50 10 ACGE C[C@H](Cl)c1nnc(CN)o1 83339728 UZTIJPLEPKNVME-VKHMYHEASA-N 161.592 0.828 50 10 ACGE CC(C)(CCl)C(=O)NC#N 86085294 XOOPXKPNVLXBAL-UHFFFAOYSA-N 160.604 0.849 50 10 ACGE CC(=O)[C@@]1(C)OO[C@H](C)O1 100053169 ZRJOSKNHDXJRKF-PHDIDXHHSA-N 146.142 0.616 50 10 ACGE CC(C)(O)[C@@H](O)CCl 104714586 DLCRLZSIWCNHTQ-BYPYZUCNSA-N 138.594 0.357 50 10 ACGE ClCOC[C@@H]1COCO1 104734029 JKWLXVTWLSTXST-RXMQYKEDSA-N 152.577 0.572 50 10 ACGE Cn1cc(C[C@@H]2CC(=O)OC2=O)cn1 106050124 YYPJGEBPDBOZBX-SSDOTTSWSA-N 194.190 0.052 50 10 ACGE C[C@H](O)C(C)(C)NC(=O)CCl 135318758 CEMVHCUCLZKDHJ-YFKPBYRVSA-N 179.647 0.501 50 10 ACGE CNC(=O)N(C)C(=O)Cl 137684354 JIQBLONORFFMKH-UHFFFAOYSA-N 150.565 0.616 50 10 ACGE C#CC(C)(C)OCN=C=O 144595045 JGPQAZMRYVOIPZ-UHFFFAOYSA-N 139.154 0.708 50 10 ACGE CN(C)/C=C(\Cl)C=O 149293640 FOLKGGCYZOCSEZ-HYXAFXHYSA-N 133.578 0.827 50 10 ACGE OB(O)/C=C/c1ccoc1 211668929 SHQNUYQEAISYIV-HNQUOIGGSA-N 137.931 0.305 50 10 ACGE in-vitro C/C(=C/C#N)[C@@H](C)O 217651732 KMNUKZORBMKVAY-CWVDAHFDSA-N 111.144 0.837 50 10 ACGE NC(=O)OCC(Cl)Cl 218855817 OOUBOXLZRKATGB-UHFFFAOYSA-N 157.984 0.885 50 10 ACGE C=CCNC(=O)N/C=C(/C#N)C=O 219696816 RDAZTMKZUZQNOI-ALCCZGGFSA-N 179.179 0.078 50 10 ACGE COC(=O)[C@@H]1C[C@@H](Cl)CCN1 219864864 VUAUXIZZGZRVLG-WDSKDSINSA-N 177.631 0.519 50 10 ACGE O=C(O)[C@H]1CCC(=O)[C@H]1CCl 223372514 QSKNGYCUIZKMJL-WHFBIAKZSA-N 176.599 0.905 50 10 ACGE O=C1C[C@H](NC/C=C/CCl)CN1 229142849 MPUFLGFODVWOKA-HIXXPVPXSA-N 188.658 0.260 50 10 ACGE CS(=O)(=O)N[C@@H]1CCC[C@@H]1Cl 232038660 URIIJBQQQYPOJW-NTSWFWBYSA-N 197.687 0.696 50 10 ACGE CCc1nnsc1C(=O)N=C=O 234133679 SRKMFMBZZAEZCL-UHFFFAOYSA-N 183.192 0.577 50 10 ACGE CN(C)c1ccccc1NC(=O)NN 234255598 WKDDAUDCZYKWIN-UHFFFAOYSA-N 194.238 0.748 50 10 ACGE C[C@]1(CO)CO[C@](C)(CCl)O1 238480043 RFRKQHUNSSLDKH-BQBZGAKWSA-N 180.631 0.739 50 10 ACGE O=C[C@@H]1C=CC[C@H]2C(=O)OC(=O)[C@H]12 238639813 OQYDWBLZZJHDTB-RRKCRQDMSA-N 180.159 0.077 50 10 ACGE C=C(C=O)[C@@H]1CC(=O)CC[C@H]1O 238712642 PSDDTLJCXZQZCZ-DTWKUNHWSA-N 168.192 0.472 50 10 ACGE C[C@@H](Cl)[C@@H](Cl)[C@@H]1O[C@@H]1CO 238802853 BNKZZCAUUGIMOJ-KVTDHHQDSA-N 185.050 0.981 50 10 ACGE CC[C@@H]1CCCN1[C@H](C)C(=O)NN 251695812 IQTRPKKZBBWOFP-HTQZYQBOSA-N 185.271 0.239 50 10 ACGE C[C@H]1C[C@@H](C)CN1[C@H](C)C(=O)NN 253057283 BDBMTKYHBZROPL-GJMOJQLCSA-N 185.271 0.095 50 10 ACGE CN1C(CO)=C[C@H]2C=CC=C(C=O)[C@@H]21 257748174 HYGGNQVHQLBYDT-LDYMZIIASA-N 191.230 0.488 50 10 ACGE C=C(N=C=O)[C@@H]1CCCN1C 258080895 FVOKETHNEIUVAP-QMMMGPOBSA-N 152.197 0.930 50 10 ACGE O=C=N[C@H]1C[C@H]2C=C[C@H]1O2 258562242 QRODXJQDHCLFQU-DSYKOEDSSA-N 137.138 0.418 50 10 ACGE CN1CCC[C@H]([C@H](N)CCl)C1 259438030 PVJJMVGXRLDADN-JGVFFNPUSA-N 176.691 0.894 50 10 ACGE N#C[C@H](O)[C@H]1CCN2CCC[C@H]1C2 260888733 GQAGKEIZRCCCAI-GUBZILKMSA-N 180.251 0.603 50 10 ACGE C[C@@H](CCl)Nc1cnnn1C 300765163 OCNYEFFZCGRARN-YFKPBYRVSA-N 174.635 0.854 50 10 ACGE C[C@H](Cl)[C@]12C(=O)NC(=O)[C@@H]1[C@H]2C 306270439 OPTVJYSXVQOIKI-KRJHYDBASA-N 187.626 0.522 50 10 ACGE C[C@@H]1O[C@H](C)C[C@@H]1N=C=O 306845007 ICPSEFQLCQSLHQ-VQVTYTSYSA-N 141.170 0.888 50 10 ACGE CC1(C)C[C@@]2(CO1)CC(=O)OC2=O 307230185 BMBWFUOFPJTMAP-SECBINFHSA-N 184.191 0.645 50 10 ACGE CC(=O)N/N=C(\C)[C@H]1CCOC1 307342382 HOPYRBGMTFMSNY-CYXIBPNKSA-N 170.212 0.535 50 10 ACGE COC(/C=C/C=O)=C/N(C)C 307662536 WJDCBCVHOGXLQM-AOSYACOCSA-N 155.197 0.791 50 10 ACGE ClCCCNCCn1cncn1 308048356 QOTUSYKFTZDOON-UHFFFAOYSA-N 188.662 0.497 50 10 ACGE NC(=O)NN=C1[C@H]2CC[C@@H](C=O)[C@H]1C2 308566778 YTXLNXVXSMNQGJ-LYFYHCNISA-N 195.222 0.256 50 10 ACGE COC[C@H](C)NNC(=O)C1CC1 379330494 XOXSGOTVLHHKGO-LURJTMIESA-N 172.228 0.052 50 10 ACGE CO[C@@H](C=NNC(N)=O)C(C)C 382180404 ZISHDPPWDUZKNB-LURJTMIESA-N 173.216 0.312 50 10 ACGE C[C@@H]1CC[C@@](C)(C#N)C1=NNC(N)=O 383474352 IYGYBMYIYJXOHW-MUWHJKNJSA-N 194.238 0.970 50 10 ACGE COCC1(CC(=O)N=C=O)CC1 401392815 SURAZWXFBMNRAJ-UHFFFAOYSA-N 169.180 0.666 50 10 ACGE CC[C@H]1C[C@@H](N=C=O)CO1 575587527 BCJXGKMUZCVKFM-RQJHMYQMSA-N 141.170 0.890 50 10 ACGE Cc1ncc(/C=C\C=O)n1C 606246045 IMDHVYOCBUFOLW-ARJAWSKDSA-N 150.181 0.941 50 10 ACGE O=C(Cl)[C@@H]1CCCS1(=O)=O 606257560 JZIBFDDNCHKADD-BYPYZUCNSA-N 182.628 0.329 50 10 ACGE CC(=O)O[C@@H](/C=C\C=O)[C@@H](C)O 687761470 SHLAUVVFSGLENR-CNWRGNHJSA-N 172.180 0.054 50 10 ACGE CCN1CC[C@@H]1CNC(=O)CCl 710278662 YZSSIQLFALDCHT-SSDOTTSWSA-N 190.674 0.436 50 10 ACGE O=C(CCl)N[C@@]12COC[C@H]1C2 718092470 LTCBCGYQSLDCNU-VDTYLAMSSA-N 175.615 0.130 50 10 ACGE C=C(C#N)C1COC1 725245380 HPHOGPUTOFJZAC-UHFFFAOYSA-N 109.128 0.713 50 10 ACGE COC(=O)C1=C=C(C#N)O[C-]1C 885274907 BKPCKKCPRXNFFV-UHFFFAOYSA-N 164.140 0.674 50 10 ACGE C[C-]1C(C=O)=C=NN1C1CCOCC1 885679371 JCQYQAHBHMLSKQ-UHFFFAOYSA-N 193.226 0.743 50 10 ACGE Cc1ccc(NNC(=O)CO)cc1F 1454089255 OVEMOUUGPNSEIB-UHFFFAOYSA-N 198.197 0.570 50 10 ACGE OCC1(CCl)CN(C2CC2)C1 1772717903 HWNXZBCVTCTYGU-UHFFFAOYSA-N 175.659 0.682 50 10 ACGE C=C[C@H](N)C(=O)[C@@H](C)Br 1879963431 RWFWVQWCPFAGJC-UHNVWZDZSA-N 192.056 0.852 50 10 ACGE CC1(C)C[C@@H](CN=C=O)O1 1880066960 OWOSARIUNMWGGJ-LURJTMIESA-N 141.170 0.890 50 10 ACGE O=C=N[C@]12C[C@H](CCO1)C2 1880096368 XHTYTKMJRISZKP-KNVOCYPGSA-N 139.154 0.849 50 10 ACGE C[C@H]1[C@@H](C)NCCN1C(=O)F 1880317134 SYRDJKZAEZDGQO-RITPCOANSA-N 160.192 0.758 50 10 ACGE CN[C@H]1C[C@H](C)N(C(=O)F)C1 1880317420 XOQDAAGRAWFJIT-WDSKDSINSA-N 160.192 0.758 50 10 ACGE CN(C)C(=N)NC[C@H]1C[C@H]1Cl 1880433523 HCCAHOKOKBSKHP-PHDIDXHHSA-N 175.663 0.700 50 10 ACGE N#CC(C#N)NC(=O)[C@H]1C[C@H]1Cl 1881401903 VUPKLPQFPMJCGM-NTSWFWBYSA-N 183.598 0.146 50 10 ACGE COC(=O)[C@H](N)CC1CC(Cl)C1 1881403379 JEJHLYHHKJNNGN-KPGICGJXSA-N 191.658 0.894 50 10 ACGE N=c1ccc(=NC2CC(Cl)C2)[nH][nH]1 1881718021 ATHQQWNSQZYKRB-UHFFFAOYSA-N 198.657 0.493 50 10 ACGE Cn1cnnc1CCCNC(=O)F 1882783445 FNHNFRHKVUEVIU-UHFFFAOYSA-N 186.190 0.427 50 10 ACGE N=C(N)CCC1CN(C(=O)F)C1 1887712170 HNGZAGAJRXGOQV-UHFFFAOYSA-N 173.191 0.724 50 10 ACGE CNNC(=O)N[C@H](C)C1CC1 1888752918 XOFQPMSPDUMUJK-RXMQYKEDSA-N 157.217 0.219 50 10 ACGE C=C(CN1C[C@H]2CCC[C@@H]2C1)B(O)O 1895113934 RQSCMEIPJALKFL-NXEZZACHSA-N 195.071 0.287 50 10 ACGE C=C(CN1CC[C@](C)(CC)C1)B(O)O 1895238695 IQFYZNUJYKLGGG-JTQLQIEISA-N 197.087 0.677 50 10 ACGE CC[C@@H]1CC[C@H](N(C)CC(=O)NN)C1 1905563722 POYBMBMVATVJIN-BDAKNGLRSA-N 199.298 0.487 50 10 ACGE CC=CCOCCCC(=O)NN 1911541949 KIOYLVSYQQTVDG-UHFFFAOYSA-N 172.228 0.349 50 10 ACGE NC(=O)NN=C1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 1917659290 ATNPGOCVOQMRQC-GBNDHIKLSA-N 179.223 0.687 50 10 ACGE C#C[C@H](C)N1CCOC[C@H](Cl)C1 1925392310 BPRDYRJRYFYYTK-DTWKUNHWSA-N 187.670 0.948 50 10 ACGE C[C@H](CCN)N1CCC(O)(C#N)CC1 1928453879 DEBJSIIPCDZDPE-SECBINFHSA-N 197.282 0.074 50 10 ACGE N#C[C@H](O)CCN1CCCC1 1951402811 PYNLJWBEHNHWLH-MRVPVSSYSA-N 154.213 0.357 50 10 ACGE O=C(CCl)c1ccc(O)nn1 1952331518 HZHCCQSWKYMZHQ-UHFFFAOYSA-N 172.571 0.604 50 10 ACGE N#C[C@@H](O)[C@@H](N)c1ccc(F)c(O)c1 1952841709 VQKABGXLWLOQOZ-BDAKNGLRSA-N 196.181 0.416 50 10 ACGE N#C[C@H](O)[C@H](N)c1ccccc1O 1952885934 QSYCNUVISBBWEA-DTWKUNHWSA-N 178.191 0.276 50 10 ACGE O=C(CCCl)N[C@H]1C[C@@H]1CO 1953230008 WTYQAFNBNYNPKD-RITPCOANSA-N 177.631 0.112 50 10 ACGE N#C[C@H](Cl)CN1C[C@H]2C[C@H]1[C@@H]2N 1953750934 FMKSZZMJJNXODO-VGRMVHKJSA-N 185.658 0.149 50 10 ACGE O=C(CCCl)N[C@H]1[C@H]2COC[C@H]21 1953754776 RZHBAPPMAGLFHH-UQWHLADISA-N 189.642 0.376 50 10 ACGE CSCc1cc(B(O)O)cs1 2208958407 RIILGIUDIRDKTN-UHFFFAOYSA-N 188.082 0.291 50 10 ACGE O=C=N[C@@H]1C[C@H]2CO[C@H]1C2 2241841018 HHUKNXUPOBFKHK-QYNIQEEDSA-N 139.154 0.500 50 10 ACGE NNC(=O)CSCC1=CCCC1 2242589894 VXCFYAVSLIKLGS-UHFFFAOYSA-N 186.280 0.820 50 10 ACGE O=C1C=C[C@H](OC(=O)CCl)C1 34201908 HLGYOHFPFPQEEK-LURJTMIESA-N 174.583 0.666 50 10 ACGE C=CC[C@H](N=C=O)C(=O)OC 34423910 BIYPFLINERFAAZ-LURJTMIESA-N 155.153 0.440 50 10 ACGE CCCN(C(=O)NN)C(C)C 37096564 FEMKUFATRAESRW-UHFFFAOYSA-N 159.233 0.690 50 10 ACGE CC(=O)NNc1ncccc1N 39209953 NWGFHMUIUAXLBU-UHFFFAOYSA-N 166.184 0.127 50 10 ACGE CCc1nonc1NC(=O)CCl 41689105 OZRMSUBAUSWHRI-UHFFFAOYSA-N 189.602 0.809 50 10 ACGE C[C@@H](CCl)CN(CCO)CCO 70067619 QKHAOFQWADHLSK-QMMMGPOBSA-N 195.690 0.148 50 10 ACGE COCC[C@@H](C)N=C=O 81736003 KELNWJSQPWZGLT-ZCFIWIBFSA-N 129.159 0.747 50 10 ACGE C=C[C@H](C)NC(=O)CCl 91352080 FKKKJZCXUPARKI-YFKPBYRVSA-N 147.605 0.916 50 10 ACGE O=C1N[C@@H]2CC[C@@H](F)C[C@@H]2C(=O)O1 143707478 OETZPBQLXNWHCR-NGJCXOISSA-N 187.170 0.760 50 10 ACGE C[C@@H](F)N=C=O 146507837 MNYFJEPHSPXJSF-VKHMYHEASA-N 89.069 0.638 50 10 ACGE C[C@H]1CCC(=O)[C@]1(O)C#N 149445821 UMCAPPBANBLHJV-FSPLSTOPSA-N 139.154 0.240 50 10 ACGE C[C@@H](C(N)=O)n1cnnc1CCl 149863063 MOXJKGAERCFNGD-BYPYZUCNSA-N 188.618 0.063 50 10 ACGE OC[C@@H]1CCN(CCCl)C1 156853786 PLYHTWKAWYYHHI-SSDOTTSWSA-N 163.648 0.539 50 10 ACGE NC(=O)[C@H](Cl)c1nccs1 161625376 YMMJGWAEYWLVPN-VKHMYHEASA-N 176.628 0.908 50 10 ACGE CC(C)c1ccc(B(O)O)o1 198084326 UPAFTGFKKGATIG-UHFFFAOYSA-N 153.974 0.083 50 10 ACGE C/C(=C\CO)CC/C=C(\C=O)CO 206646012 FKQVNXMXEOFGDR-KPBNKTSESA-N 184.235 0.823 50 10 ACGE CC(C)COC(=O)[C@@H](O)CCl 238147559 AWGGHGXUOIOGLQ-LURJTMIESA-N 180.631 0.785 50 10 ACGE CC1=CC[C@H](C(=O)NN)[C@H](C(=O)O)C1 238241702 MXRBVUFLMWBXEN-NKWVEPMBSA-N 198.222 0.033 50 10 ACGE CC[C@@H](O)[C@@H](Br)CCO 238273617 YVDLWBZYZPYLSK-NTSWFWBYSA-N 197.072 0.903 50 10 ACGE CC[C@@H]1C(=O)OC[C@@H]1C(=O)CCl 238280630 NZQUCEKCRLZMSQ-WDSKDSINSA-N 190.626 0.994 50 10 ACGE COC(=O)[C@@H]1CC[C@H](O)[C@@H]1Cl 238338872 QESHXBYDXFBNJF-NGJCXOISSA-N 178.615 0.538 50 10 ACGE COC1=CC(=O)[C@@]2(O[C@@H]2C)C(C=O)=C1 238387621 ORWGIHAKBYDYCC-LDWIPMOCSA-N 194.186 0.382 50 10 ACGE C=C[C@H]1C[C@]1(N=C=O)C(=O)OC 238397532 QADPWEFZDLRGHW-POYBYMJQSA-N 167.164 0.440 50 10 ACGE Cc1cc(NCCCl)[nH]c(=O)n1 238463103 UBMJHGWFEONXPP-UHFFFAOYSA-N 187.630 0.729 50 10 ACGE C[C@@]12C(=O)OC(=O)C1=CC[C@@H]2C(=O)O 238537367 HPWGTMPVAQCISR-MOFOKWOHSA-N 196.158 0.107 50 10 ACGE O=C1N[C@H](Cl)[C@H]1Br 238538769 VXAGXRFOLFRLCF-NCGGTJAESA-N 184.420 0.445 50 10 ACGE NNC(=O)[C@@H](F)[C@H](O)c1ccccc1 238554149 BKPHCAGAFCJXKM-JGVFFNPUSA-N 198.197 0.048 50 10 ACGE ClCCOCCn1cnnc1 238570261 HKMMKZBKHXUTKK-UHFFFAOYSA-N 175.619 0.534 50 10 ACGE O[C@H]1CCOC[C@@H]1CBr 238693191 YHRBBCHEPSWTLB-WDSKDSINSA-N 195.056 0.779 50 10 ACGE N#C[C@H](O)C(Cl)Cl 238717556 JFDQHLSNKUJUPB-REOHCLBHSA-N 139.969 0.675 50 10 ACGE COC(=O)/N=C(/CCl)N(C)C 238802109 HAQUCJDZXRUZQI-YVMONPNESA-N 178.619 0.952 50 10 ACGE CNNC(=O)C[C@@H](N)C(C)(C)C 259126502 SCFDMNNUNOUCFX-ZCFIWIBFSA-N 173.260 0.001 50 10 ACGE CNNC(=O)C[C@@H](N)CC(C)C 259176684 WWFOIAAEYLCOGI-ZETCQYMHSA-N 173.260 0.001 50 10 ACGE N#CC1=CN(CCCC(=O)O)C(=O)C1 261122310 JRAOZVIFQQGOIM-UHFFFAOYSA-N 194.190 0.491 50 10 ACGE C=C[C@H](Cl)C(=O)N(C)C 301053881 ZGQWHXGDVAUWJC-YFKPBYRVSA-N 147.605 0.868 50 10 ACGE O=C(O)[C@H](Cl)CN1C[C@H]2C[C@H]2C1 306661548 OINCGHXZVXXODM-DSYKOEDSSA-N 189.642 0.630 50 10 ACGE NNC(=O)N[C@H]1CC12CCCC2 306845873 JHJYWJZBOMBLMD-LURJTMIESA-N 169.228 0.492 50 10 ACGE CC(=O)O/C(C=O)=C/O 307496592 JZJFKBCVRUHSLO-GORDUTHDSA-N 130.099 0.148 50 10 ACGE NNC(=O)[C@H]1CC12CCCCC2 307752661 SGTSYIJDFABKBZ-SSDOTTSWSA-N 168.240 0.947 50 10 ACGE O=C=NC[C@H](CCO)C/N=N/O 307919747 ZZYJZVOXSVSYLP-LURJTMIESA-N 173.172 0.162 50 10 ACGE O=C(NC/C=C\CCl)c1cn[nH]c1 308020692 JNOSLTNFICOFKR-UPHRSURJSA-N 199.641 0.935 50 10 ACGE O=CNN=Cc1cccc(O)c1 308089406 RUPPHTKRDBUHKX-UHFFFAOYSA-N 164.164 0.472 50 10 ACGE CSCCS[C@@H](C)C(=O)NN 319430516 FVURDVBLYNRICL-YFKPBYRVSA-N 194.325 0.461 50 10 ACGE C/C(C(=O)O)=C1\C(=O)OC(=O)C1(C)C 383473314 HPYQHOYGCFQWIN-PLNGDYQASA-N 198.174 0.497 50 10 ACGE C#C[C@H](O/C=C\C=O)OCC 383931599 YWOGFUVFFIODNJ-TVSKSKRASA-N 154.165 0.711 50 10 ACGE CCC(=O)NN=C[C@H](C)COC 388396791 JDOGZQGSDGJAMS-ZETCQYMHSA-N 172.228 0.781 50 10 ACGE CCCN(C(=O)NN)[C@@H]1CCOC1 393551248 AUJPZVUMMFWOQU-SSDOTTSWSA-N 187.243 0.071 50 10 ACGE ClCc1cc(-n2cncn2)ncn1 575585437 VBUVBRMJHTYNQO-UHFFFAOYSA-N 195.613 0.796 50 10 ACGE N[C@@]1(CCl)CCCNC1 669384890 LSOSWVJXEBJFFT-ZCFIWIBFSA-N 148.637 0.306 50 10 ACGE CN(C)C1CC(NC(=O)CCl)C1 701451967 DSKKJETXNKYNLI-UHFFFAOYSA-N 190.674 0.434 50 10 ACGE C[C@@H]1C[C@@H]1N1[C@H]2CC[C@H]1C(=O)OC2=O 703464215 ALRQKLLZZWDZCG-KVPKETBZSA-N 195.218 0.311 50 10 ACGE Cn1cnc(CCBr)n1 714721444 UEPCVPJFHKYRSI-UHFFFAOYSA-N 190.044 0.753 50 10 ACGE C#CC[C@@H](O)CNC(=O)OCCl 717903060 GUWQGEJEAWEVPV-ZCFIWIBFSA-N 191.614 0.293 50 10 ACGE CC[C@H](CN)[C@H](N)CBr 1879968404 XLWWVNFJPJCGLE-PHDIDXHHSA-N 195.104 0.694 50 10 ACGE N#CC1CN(C(=O)F)C1 1879974119 UMGDYIKMQHMWKN-UHFFFAOYSA-N 128.106 0.531 50 10 ACGE NC[C@H](C1CC1)[C@@H](N)CCl 1880023047 BVCQBXWOGLTMHE-RQJHMYQMSA-N 162.664 0.537 50 10 ACGE CC1(C)CNC[C@@H]1[C@H](N)CCl 1880204397 IZWIQRWYGYTPCQ-RNFRBKRXSA-N 176.691 0.798 50 10 ACGE CS(=O)(=O)C1(C(=O)F)CCC1 1880211625 SOSGIRIQWLHQIB-UHFFFAOYSA-N 180.200 0.450 50 10 ACGE C[C@@H]1CNC[C@H](NC(=O)F)C1 1880312558 LNXLQQJZBRKOQZ-NTSWFWBYSA-N 160.192 0.664 50 10 ACGE Cc1[nH][nH]c(=NC(=O)F)c1C 1880316467 MTCQZPRKBCOHSA-UHFFFAOYSA-N 157.148 0.950 50 10 ACGE CC(=O)NCCCNC(=O)F 1880316476 MWCBNTXMIPRFIS-UHFFFAOYSA-N 162.164 0.192 50 10 ACGE O=C(F)NCCSCCCO 1880316782 PSNZARRDOHBVNP-UHFFFAOYSA-N 181.232 0.781 50 10 ACGE CCS(=O)(=O)NC[C@H]1C[C@H]1Cl 1880434600 RZFAUAJTCXBBOW-PHDIDXHHSA-N 197.687 0.553 50 10 ACGE O=C(F)N[C@H]1C[C@@H]2CC[C@H](C1)N2 1881050602 BBGHKXQGAPVDDR-KVSKUHBBSA-N 172.203 0.949 50 10 ACGE O=C=NC(=O)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 1881177268 UDLBBNYFSWTFLF-UOLFYFMNSA-N 163.176 0.751 50 10 ACGE C=C[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1Cl 1881365657 NBXSEODCTOCJRB-LYFYHCNISA-N 188.658 0.243 50 10 ACGE O=C(O)C1CN(C[C@H]2C[C@H]2Cl)C1 1881372781 HNDKGNPBIXEQDR-IYSWYEEDSA-N 189.642 0.630 50 10 ACGE C[C@]1(CNC(=O)F)CNCCOC1 1883849158 VYKHUYWAXZRYNN-MRVPVSSYSA-N 190.218 0.292 50 10 ACGE CN(CCCl)CC1(O)CC1 1889074555 BBGRHABMPKRNPE-UHFFFAOYSA-N 163.648 0.682 50 10 ACGE CN(C[C@H](Cl)C#N)CC1(O)CC1 1889130159 YOIAFDIPFUILPE-SSDOTTSWSA-N 188.658 0.574 50 10 ACGE N#C[C@@H](O)c1cnn(CC(F)F)c1 1891888486 YJWLBJNDHHQSBK-ZCFIWIBFSA-N 187.149 0.705 50 10 ACGE CCCN(C1CCC1)[C@H](C)C(=O)NN 1893816509 DDOAAHJNOCFDEC-MRVPVSSYSA-N 199.298 0.629 50 10 ACGE NNC(=O)C=Cc1cccnc1 1912209367 PZUAEBAFVROGMX-UHFFFAOYSA-N 163.180 0.085 50 10 ACGE C[C@H](O)C1(NC(=O)CCCl)CC1 1913539330 WALWXUGKSOLDTH-LURJTMIESA-N 191.658 0.645 50 10 ACGE CC(C)NNC(=O)C1CC(F)C1 1923695833 AKSQBFALMUBVTJ-UHFFFAOYSA-N 174.219 0.764 50 10 ACGE CC[C@H](C)CCN(C)CC(=O)NN 1926076808 VPVULGUTMPZGCR-QMMMGPOBSA-N 187.287 0.344 50 10 ACGE Cc1nc(C[C@H](O)CCl)nn1C 1929097005 XKYGOAICKLBWFR-LURJTMIESA-N 189.646 0.266 50 10 ACGE CCN(CC1(C(=O)NN)CC1)C1CC1 1931264518 AYBXOMNQBBCTHV-UHFFFAOYSA-N 197.282 0.241 50 10 ACGE O=C=NC=C[C@@H]1CCCS1(=O)=O 1951319169 DYFGIIDODFEYLJ-ZETCQYMHSA-N 187.220 0.413 50 10 ACGE COC(=O)c1cc([C@H](O)C#N)oc1C 1951371907 PRJIJCISOVCQIH-SSDOTTSWSA-N 195.174 0.932 50 10 ACGE CCOCC[C@@H]1CC(=O)OC1=O 1951516519 MOXBNAQJBKONIC-ZCFIWIBFSA-N 172.180 0.503 50 10 ACGE OB(O)[C@@H]1CCC[C@@H]1F 1953140987 CSIQKLUYRVMPRG-UHNVWZDZSA-N 131.943 0.351 50 10 ACGE COC[C@@H]1C[C@H]1NC(=O)Cl 1953177018 HRTGYHFYFKURRF-CRCLSJGQSA-N 163.604 0.970 50 10 ACGE C[C@H](N)CN(C)C[C@H](Cl)C#N 1953350037 WMORXBDQQWFXBS-NKWVEPMBSA-N 175.663 0.396 50 10 ACGE C[C@H]1CC(=NNC(N)=O)C[C@@H](C)N1C 1955014790 VZDBLMDWLVMWSD-KNVOCYPGSA-N 198.270 0.513 50 10 ACGE CCc1cc(C#N)cc(C)c1B(O)O 2060289793 GOSWUJBXGSBZOH-UHFFFAOYSA-N 189.023 0.109 50 10 ACGE ClCc1ncncn1 2011007 IXOJGFDRZRKILF-UHFFFAOYSA-N 129.550 0.610 50 10 ACGE Cn1ccnc1/C=C\C#N 36436743 FDCJCWZMDUOIOH-IHWYPQMZSA-N 133.154 0.957 50 10 ACGE CC[C@H]1CCCN1C(=O)NN 37915420 BTCUVWDLTBYOOU-LURJTMIESA-N 157.217 0.444 50 10 ACGE COC(=O)[C@@H](C)NC(=O)[C@H](C)Cl 41693409 JASIXKHMSXLRCI-CRCLSJGQSA-N 193.630 0.291 50 10 ACGE O=C(CCCl)NC[C@@H](O)C1CC1 70886838 MYPKEWZPHNWWJX-SSDOTTSWSA-N 191.658 0.502 50 10 ACGE NNC(=O)NCCOC1CCCC1 82627931 OCQWZJCXVRVCSF-UHFFFAOYSA-N 187.243 0.119 50 10 ACGE C[C@H]1NN[C@H](CCl)O1 91362254 LDJRWXBSLQMQGI-IMJSIDKUSA-N 136.582 0.022 50 10 ACGE O=C/C(O)=C/OC(=O)CCl 104716767 PABKKWJXTYQDHB-ARJAWSKDSA-N 164.544 0.367 50 10 ACGE C[C@@](O)(C#N)c1ncc2n1CCCC2 106365802 PVSUTFCZHPGDMZ-SNVBAGLBSA-N 191.234 0.950 50 10 ACGE O=C=Nc1cn2ccnc2o1 107455117 PQGCYRGDICTDMQ-UHFFFAOYSA-N 149.109 0.895 50 10 ACGE CCOC(=O)[C@@](O)(C#N)CC(C)C 196188718 AEWPUSRCAPKNIW-VIFPVBQESA-N 185.223 0.850 50 10 ACGE CN(C(=O)Cl)N1CCOCC1 196593044 YUGZUHYXFQCZFF-UHFFFAOYSA-N 178.619 0.524 50 10 ACGE CCCCNC(N)=C(C#N)C#N 196670266 JDZULOMFWGMXGS-UHFFFAOYSA-N 164.212 0.594 50 10 ACGE CC(C)/C=N/C(C#N)=C(/N)C#N 196674604 VXTXPQPXJKHMID-FUSVFIKZSA-N 162.196 0.931 50 10 ACGE COC(=O)[C@@H]1CC[C@H](N=C=O)C1 212374956 IUVBMPUSDLBJFF-RQJHMYQMSA-N 169.180 0.664 50 10 ACGE O=C=NC[C@H]1CCCCN1 213598286 BFSLUNYGAUQGFJ-SSDOTTSWSA-N 140.186 0.464 50 10 ACGE O=C(CCl)N[C@H]1CCSC1 218363398 BBXPQONRZVJYQP-YFKPBYRVSA-N 179.672 0.847 50 10 ACGE CC(=O)NNC(=S)N[C@@H]1C=CCC1 238104275 JXWXJZSEPZZIQM-SSDOTTSWSA-N 199.279 0.220 50 10 ACGE CC[C@H](CO)N=C=O 238307941 BUQZCNXFEISPGB-RXMQYKEDSA-N 115.132 0.093 50 10 ACGE N#C/C=C1\C=C[C@@H](O)C[C@@H]1O 238711562 OKLUWXIZGZHBKD-WEUVJMFPSA-N 151.165 0.118 50 10 ACGE biogenic C[C@@H]1CCc2cnn(C)c2[C@@]1(O)C#N 260737420 FKFVTZUEFRYHST-GMSGAONNSA-N 191.234 0.714 50 10 ACGE N#C[C@]1(O)CCN2CCCC[C@H]2C1 260975679 UUSDUBHYWMFOCY-UWVGGRQHSA-N 180.251 0.889 50 10 ACGE C[C@H](C(=O)NN)n1cccc1 306492786 RRCJUNDYHGNQFS-ZCFIWIBFSA-N 153.185 0.039 50 10 ACGE CN(C)NC(=O)c1ccc(N)cc1O 306712831 USAWPDHQIJSBAU-UHFFFAOYSA-N 195.222 0.181 50 10 ACGE CN(C)CCOCCl 306794242 FUIICMHQYNCJKJ-UHFFFAOYSA-N 137.610 0.761 50 10 ACGE O=C1N[C@@H]2C[C@H](F)CC[C@@H]2C(=O)O1 306971555 KISGVMIQVPKBDG-NGJCXOISSA-N 187.170 0.760 50 10 ACGE COC(=O)C[C@@H](O)[C@@H]1C[C@H]1Cl 307675673 GMRZDMHDLXHQNQ-HSUXUTPPSA-N 178.615 0.538 50 10 ACGE N#C[C@H](Cl)COC/C=C\CO 394891844 WSHTZEGBHJTXII-XRHZSYRXSA-N 175.615 0.682 50 10 ACGE Cl[C@H]1C[C@H]2CNCCN2C1 405705173 QPQFNWVERQVNDJ-BQBZGAKWSA-N 160.648 0.271 50 10 ACGE CCN[C@@H]1CCN(C(=O)CCl)C1 616571887 ISHOPWXZEQFXET-SSDOTTSWSA-N 190.674 0.436 50 10 ACGE C[C@]1(C(=O)NCCCl)CCOC1 687348638 MFPFKJGUXVXVCX-QMMMGPOBSA-N 191.658 0.768 50 10 ACGE CCN(C(=O)OCCCl)[N+](=O)[O-] 687727120 DSUYHQKCACFEGT-UHFFFAOYSA-N 196.590 0.875 50 10 ACGE CN(CCCl)C[C@@H](O)C1CC1 690222752 BOUDPKLWLBUBIQ-MRVPVSSYSA-N 177.675 0.928 50 10 ACGE C[C@H]1CCC[C@H]1N(C)CCC(=O)NN 690953411 UBDCLWAPNWKMKW-DTWKUNHWSA-N 199.298 0.487 50 10 ACGE C[C@H](C(=O)N(C)N)C(C)(F)F 704701660 HBZOHJOXKGPKNO-SCSAIBSYSA-N 166.171 0.610 50 10 ACGE Cc1ncccc1/C=C\B(O)O 715226107 UEDBXLOXLRFODG-PLNGDYQASA-N 162.985 0.415 50 10 ACGE CN1CCC([C@H]2CC(=O)OC2=O)CC1 1535740056 VXSSYUHUPGMTHL-MRVPVSSYSA-N 197.234 0.418 50 10 ACGE C[C@@H](CN)NC(=O)F 1879943343 HEEJLBXCEYRPKN-VKHMYHEASA-N 120.127 0.013 50 10 ACGE N#CNC[C@@H]1C[C@@H]1Cl 1879946347 CTYPWFOHIIAZIQ-WHFBIAKZSA-N 130.578 0.684 50 10 ACGE CN(N)C[C@H]1C[C@H]1Br 1879947411 WQWLDBQONRVAQP-RFZPGFLSSA-N 179.061 0.575 50 10 ACGE CC[C@@H](C#N)NC(=O)F 1879974301 WJNLLORJTYKLOP-BYPYZUCNSA-N 130.122 0.968 50 10 ACGE C[C@@H]([C@@H]1CCN1)[C@@H](N)CCl 1880022769 AVIGDDMPNSZZJD-VQVTYTSYSA-N 162.664 0.551 50 10 ACGE O=C=NC[C@H]1OCC[C@@H]1F 1880028083 NJFAVLAXUPGOFL-NTSWFWBYSA-N 145.133 0.449 50 10 ACGE C[C@H]1CN(C(=O)F)C[C@H]1N 1880065481 VXTHTXKZBGUAET-CRCLSJGQSA-N 146.165 0.355 50 10 ACGE OC1CN(C[C@@H]2C[C@H]2Cl)C1 1880111023 DMBJFNWKBGRQHR-CAHLUQPWSA-N 161.632 0.290 50 10 ACGE NNC(=O)[C@@H]1CC[C@@H](CS)C1 1880254534 WMSBNQINKIPWEH-PHDIDXHHSA-N 174.269 0.322 50 10 ACGE C[C@@H]1[C@H](N)CCCN1C(=O)F 1880316483 MYTDTANYJBEKDF-PHDIDXHHSA-N 160.192 0.888 50 10 ACGE O=C(F)N[C@@H]1C[C@]12CCOC2 1880470112 MLZWBYIROJOLFC-VDTYLAMSSA-N 159.160 0.845 50 10 ACGE O=C(NCCCl)c1ncc[nH]1 1880470934 YZYUJRDBYMZFCG-UHFFFAOYSA-N 173.603 0.378 50 10 ACGE CC1(C)CNC(=O)CN1CCCl 1880643328 PGNNORQGZBFYOT-UHFFFAOYSA-N 190.674 0.436 50 10 ACGE O=C(F)c1cn2cnnc2cn1 1880776008 QPPYVMYQEUYKPS-UHFFFAOYSA-N 166.115 0.234 50 10 ACGE O=C(NOCCCl)[C@H]1CCCO1 1881157657 UXSPBXBRWWPAIH-ZCFIWIBFSA-N 193.630 0.452 50 10 ACGE O=C(NOCCCl)[C@H]1C[C@@H]1CF 1881200093 MUHDAGIDVMMADO-RITPCOANSA-N 195.621 0.879 50 10 ACGE O=C(N[C@H]1C[C@@H](O)C1)[C@H]1C[C@@H]1Cl 1881400295 KNMJNAUTWWGTKW-VZFHVOOUSA-N 189.642 0.253 50 10 ACGE NNC(=O)CCCOC(CF)CF 1882525338 APAQVDULIJPTDD-UHFFFAOYSA-N 196.197 0.081 50 10 ACGE NC[C@H]1CCN(C(=O)F)CC1(F)F 1882783532 GSWQQXKQEHLLFI-RXMQYKEDSA-N 196.172 0.992 50 10 ACGE CC1(C)CNC[C@@H](COC(=O)F)O1 1882783671 IKTUGCJMWKNUQO-LURJTMIESA-N 191.202 0.860 50 10 ACGE C[C@@H](OCC1(C)CCC1)C(=O)NN 1883181446 HNEVGUCEJCIDNF-SSDOTTSWSA-N 186.255 0.572 50 10 ACGE CC1=CC(=O)N(C[C@H]2C[C@H]2Cl)C1=O 1883567750 QZNKIRKAMDBPBV-RNFRBKRXSA-N 199.637 0.929 50 10 ACGE CO[C@@H]1C[C@@H](C(=O)N(C)N)C12CCC2 1888316666 TZPZICNZRSAKGW-JGVFFNPUSA-N 198.266 0.524 50 10 ACGE C[C@@H]1C[C@@H]1CCC[C@H](N)B(O)O 1890134329 GMXJDSWRVXXDFE-CSMHCCOUSA-N 171.049 0.152 50 10 ACGE CC(C)=CC(=O)N1CC[C@@H](B(O)O)C1 1891516708 JCHSIIYUIQIDJQ-MRVPVSSYSA-N 197.043 0.028 50 10 ACGE CN(CCBr)C1COC1 1912220278 BLLDAMRYEQPCMK-UHFFFAOYSA-N 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185.013 0.177 50 10 ACGE O=C(CCl)N1C[C@H](F)[C@H](F)C1 714666440 PMTXXHHAFQDQPF-SYDPRGILSA-N 183.585 0.744 50 10 ACGE CN(C)C[C@@H](Cl)CNCCF 717417338 AEOOIQZFYYPUAJ-ZETCQYMHSA-N 182.670 0.715 50 10 ACGE C[C@@H](CN)C[C@@H](N)CBr 1879966701 IBBFSVIXIBHLKM-PHDIDXHHSA-N 195.104 0.694 50 10 ACGE C[C@@H](CCN)[C@@H](N)CBr 1879967146 MASOXMNXMVRVBP-WDSKDSINSA-N 195.104 0.694 50 10 ACGE CC[C@@H]1C[C@@H]1[C@@H](O)C#N 1879981170 KNZABYNYTTWERP-VQVTYTSYSA-N 125.171 0.917 50 10 ACGE C[C@H]1C[C@]1(F)C(=O)N(C)N 1880131723 JVNGZUIADXEQHI-UJURSFKZSA-N 146.165 0.067 50 10 ACGE CC[C@@H](CC(=N)N)NC(=O)F 1880316828 QAPNUPNJUDZGIA-BYPYZUCNSA-N 161.180 0.770 50 10 ACGE C[C@@H](CC(N)=O)NC1CC(Cl)C1 1880569529 VYIBWVCKKFHRKD-VTSJMVTISA-N 190.674 0.610 50 10 ACGE O=C(F)N1C[C@@H]2C[C@H](C[C@H]2O)C1 1881053610 RGFJFROOYCZHSZ-DSYKOEDSSA-N 173.187 0.779 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1CN(C)CCO1 1881056581 KAPMPCWCNCONHD-BQBZGAKWSA-N 191.658 0.513 50 10 ACGE CCC[C@]1(C(=O)NN)CCCCN1 1881713617 DOAAADPALUSAND-SECBINFHSA-N 185.271 0.289 50 10 ACGE O=C=NC(=O)OCCN1CCCC1 1881886576 KRROVLMKULFSHQ-UHFFFAOYSA-N 184.195 0.555 50 10 ACGE COCCN(C(=O)F)[C@H]1CCOC1 1882789650 OAHQIEPLPUXHBW-ZETCQYMHSA-N 191.202 0.813 50 10 ACGE CC(C)(CC(F)(F)F)NC(=O)NN 1883017749 ZUQMWXGZPLXIHO-UHFFFAOYSA-N 199.176 0.890 50 10 ACGE O=C(NCc1cnc[nH]1)[C@@H]1C[C@H]1Cl 1883637853 BJQYYWLHZLFCAI-RNFRBKRXSA-N 199.641 0.653 50 10 ACGE C=C(COC1CCCCC1)B(O)O 1883735132 UGJLITHUWCEGAL-UHFFFAOYSA-N 184.044 0.904 50 10 ACGE C[C@H]1CC2CC(C(=O)N(C)N)(C2)O1 1891446006 BOVBUTXMIDUDCQ-PTNSZRNDSA-N 184.239 0.276 50 10 ACGE O=C(N[C@H]1C[C@H](CO)C1)OCCl 1928494288 QJZZHLFKZXKPAM-IZLXSQMJSA-N 193.630 0.680 50 10 ACGE NC(=O)NN=C1CCCC1(F)F 1931233298 KYDVLUUHFHRESW-UHFFFAOYSA-N 177.154 0.830 50 10 ACGE C#CCN[C@H]1CCOC[C@H]1Cl 1932443628 YXUSRRSTSCSWRB-SFYZADRCSA-N 173.643 0.606 50 10 ACGE CO[Si@@]1(C)C[C@H](C)CN1CCN 1933216016 LQYCLWLZOFYFOY-PELKAZGASA-N 188.347 0.615 50 10 ACGE CCC(=O)NC[C@@H]1COC[C@H]1Cl 1933389989 RMMAFAMFHDNEEQ-RNFRBKRXSA-N 191.658 0.766 50 10 ACGE N#C[C@@H](O)Cc1ccon1 1951710208 COAZUAZIOMCFNH-LURJTMIESA-N 138.126 0.102 50 10 ACGE O=C1C[C@@H]([C@@H](O)CCl)CS1 1952037666 MOHYKIVQRIOGSK-UHNVWZDZSA-N 180.656 0.866 50 10 ACGE C=CCC[C@@H](N)[C@@H](O)C#N 1952795675 SQZFECADKFDQPJ-RQJHMYQMSA-N 140.186 0.164 50 10 ACGE CCCCC=C[C@H](N)[C@@H](O)C#N 1952953104 UFXQKIRDATXKCN-IUCAKERBSA-N 168.240 0.945 50 10 ACGE NC1C[C@H]2C(C(=O)CCl)[C@@H]2C1 1953308122 RLSWHKXTQVHSDS-MVJSENKYSA-N 173.643 0.778 50 10 ACGE C[C@]1([C@H](N)B(O)O)CC=CCC1 1953359290 ZWZBUGBSSWEXSU-YUMQZZPRSA-N 169.033 0.072 50 10 ACGE C[C@]1(C(=O)CCl)C[C@@H](N)CCO1 1953453836 DKJJKCIIVLELDT-POYBYMJQSA-N 191.658 0.691 50 10 ACGE CC(C)N(CCCCl)CC(N)=O 1953618984 XXWOBKODYPBIBG-UHFFFAOYSA-N 192.690 0.811 50 10 ACGE C[C@H](Cl)C(=O)[C@]1(N)CCCOC1 1953669757 VXYAHGGTLCUMCM-XPUUQOCRSA-N 191.658 0.691 50 10 ACGE C=C(CNC[C@@H](Cl)COC)OC 1953691046 INHWDTLFVDNZEZ-MRVPVSSYSA-N 193.674 0.990 50 10 ACGE C[C@H]1CC[C@@H](CCNC(=O)NN)O1 1954533498 YBFGHXYGJCXBKA-BQBZGAKWSA-N 187.243 0.117 50 10 ACGE NC(=O)NN=C[C@H]1C[C@]12CCCOC2 1964737222 XZFNJFVIFSKMRO-APPZFPTMSA-N 197.238 0.457 50 10 ACGE NC1(B(O)O)CCC(C2CC2)CC1 2209162015 APBCOVIUNWZFEZ-UHFFFAOYSA-N 183.060 0.296 50 10 ACGE CN(C(=O)NN)[C@@H]1CC2C[C@@H]3C1[C@@H]3C2 2241234835 KYHRXDSEWWUUBG-FOCFJMSLSA-N 195.266 0.546 50 10 ACGE O=C(F)O[C@]12CCNC[C@H]1C2 2241339593 DPSGBHJOHNLERO-VDTYLAMSSA-N 159.160 0.845 50 10 ACGE CO[C@H](CN)COC[C@@H]1C[C@@H]1Cl 2242451185 SAGILWLYAFSTJD-RNJXMRFFSA-N 193.674 0.604 50 10 ACGE CN(C)NC(=O)NC(C)(C)C 17409438 XQDZMQLSIDKMBD-UHFFFAOYSA-N 159.233 0.561 50 10 ACGE O=C=NCc1ccncc1 19730703 AWWXLHFEKXSOON-UHFFFAOYSA-N 134.138 0.917 50 10 ACGE ClCCOc1ccc2nncn2n1 34116153 XAOZNJAYXQMISK-UHFFFAOYSA-N 198.613 0.742 50 10 ACGE O[C@@H]1CCC[C@@H](Br)[C@@H]1O 34252872 LZHJCGJWQMKJEW-PBXRRBTRSA-N 195.056 0.656 50 10 ACGE C/C(C#N)=C/CCO 34260311 TVSGYFGHTQACOW-UTCJRWHESA-N 111.144 0.839 50 10 ACGE CCN(CC1CC1)[C@@H](C)C(=O)NN 68948897 MAHHDYSLDUHMOF-ZETCQYMHSA-N 185.271 0.097 50 10 ACGE COC1=CC[C@H](/C=N/NC(N)=O)CC1 71256028 QUHBRHOKSZPGGB-KEXZDQNZSA-N 197.238 0.971 50 10 ACGE CC1=C(C=O)C[C@H](O)C[C@H]1O 75542491 LBUWOYBILWJFNY-JGVFFNPUSA-N 156.181 0.017 50 10 ACGE O=C1NC[C@@H]2C[C@H]2[C@@H]1Cl 104709065 NALPCLJCTSIAGI-LMVFSUKVSA-N 145.589 0.360 50 10 ACGE CCCN[C@@H](CCl)C(N)=O 104726979 YMORVGDDXOUDSD-YFKPBYRVSA-N 164.636 0.079 50 10 ACGE NNC(=O)Oc1cccc(O)c1 107121513 FWPWQUIZCWUKMK-UHFFFAOYSA-N 168.152 0.354 50 10 ACGE O=CC1=CC=C[C@@H]2OC(C(=O)O)=C[C@@H]12 107353928 BUXOKECNXZYOSE-YUMQZZPRSA-N 192.170 0.665 50 10 ACGE N#CC(=C=N)C(C#N)=C(C#N)C#N 111406206 RLIMDSWXANTXEX-UHFFFAOYSA-N 167.131 0.552 50 10 ACGE C=C(C#N)C=O 114174325 PPUWMENZLRYZSP-UHFFFAOYSA-N 81.074 0.265 50 10 ACGE C[C@H](Cl)C1=NC(=O)[C@H](C)C(=O)N1 122076030 BRNISXKDVPYAME-BYPYZUCNSA-N 188.614 0.305 50 10 ACGE O=C(CCl)NBr 138011517 SXHNGJPCKLTEDF-UHFFFAOYSA-N 172.409 0.651 50 10 ACGE NC[C@@H]1OCC[C@@H](Br)O1 145176193 AQBOUXZJZXKCDA-CRCLSJGQSA-N 196.044 0.429 50 10 ACGE CC(C)(NC/C=C/CCl)C(N)=O 162559718 XKTKTVLZGVDQPL-ONEGZZNKSA-N 190.674 0.635 50 10 ACGE CC[C@H]1CCN[C@H](C(=O)NN(C)C)C1 167684573 WSXBWBHUDCVFRN-IUCAKERBSA-N 199.298 0.357 50 10 ACGE CC(=O)[C@@H](Cl)[N+](=O)[O-] 195979624 DZHOIPVCVXJOBC-VKHMYHEASA-N 137.522 0.417 50 10 ACGE COC(=O)CC(=N)OCCCl 196948950 RPLOLEJCIZMOFD-UHFFFAOYSA-N 179.603 0.782 50 10 ACGE OB(O)c1ccc(-c2cccs2)o1 196954789 SLFJJOGORBYJCO-UHFFFAOYSA-N 194.020 0.688 50 10 ACGE CSCCNC(=O)NCCCl 197000013 ZAGLXMVOMNFWBE-UHFFFAOYSA-N 196.703 0.887 50 10 ACGE CC[C@H](C)CCB(O)O 198960980 BJHXYOYGFLENKM-LURJTMIESA-N 129.996 0.895 50 10 ACGE C[Si](C)(C)C#CCB(O)O 200866074 AFAIOPLPNHTNEW-UHFFFAOYSA-N 156.066 0.340 50 10 ACGE CN(C)NC(=O)c1cnccc1Cl 214873293 LMEFRGZYBOZLCJ-UHFFFAOYSA-N 199.641 0.941 50 10 ACGE NCC(=O)N(CCCl)CCCl 223333018 PYLGGDZLEMVLAZ-UHFFFAOYSA-N 199.081 0.251 50 10 ACGE O=C(CCCl)NN1CCCC1 225782383 JZYQVBKNRAMZRL-UHFFFAOYSA-N 176.647 0.742 50 10 ACGE ClCc1ncnn1-c1cccnn1 230983292 XKQKNXRLVKSACC-UHFFFAOYSA-N 195.613 0.796 50 10 ACGE Cc1cnc([C@H](C)NC(=O)NN)o1 231755570 MFOXKKLCTJQKJT-YFKPBYRVSA-N 184.199 0.217 50 10 ACGE C[C@@H]1CCN(C(=O)N=C=O)CO1 238427561 HQAMSXFSTMBHOE-ZCFIWIBFSA-N 170.168 0.511 50 10 ACGE [C-]#[N+][C@@H](C(C)=O)C(=O)OCC 238795325 PRKHIKITYBJGRZ-LURJTMIESA-N 155.153 0.426 50 10 ACGE COC[C@@H]1C[C@@H](N=C=O)CN1C 250650842 WQTKYNSEEWWJIT-SFYZADRCSA-N 170.212 0.041 50 10 ACGE Cc1ccc([C@H](N)CC(=O)NN)cc1 258943274 CUBFIRZVKRUWIP-SECBINFHSA-N 193.250 0.375 50 10 ACGE CN(N)C(=O)CCCc1cc[nH]c1 259007934 NTHPOPMDUDQHNT-UHFFFAOYSA-N 181.239 0.670 50 10 ACGE C[C@@H]1COCC[C@H]1C(=O)N=C=O 301002351 KTJJRKPWGNQZBZ-RNFRBKRXSA-N 169.180 0.521 50 10 ACGE O=C1CCN[C@@H]2C[C@H](Cl)NC[C@H]12 306207599 CVQICBWMKJYUCB-SHYZEUOFSA-N 188.658 0.092 50 10 ACGE C[C@@H]1C[C@@H](O)[C@@H](CBr)O1 306570145 MNRNKBVCIKLULF-HSUXUTPPSA-N 195.056 0.920 50 10 ACGE C[C@]1(CN=C=O)CCOC1 306898979 YQSLHRYMAATABV-SSDOTTSWSA-N 141.170 0.749 50 10 ACGE NC(=O)[C@H](Cl)Cc1cnc[nH]1 307267365 ISSMPYABAHTWOS-RXMQYKEDSA-N 173.603 0.045 50 10 ACGE Cl[C@@H]1COC[C@H]1N[C@H]1CCOC1 307588030 VXTHNTXSBIWIQS-XLPZGREQSA-N 191.658 0.371 50 10 ACGE Cn1ncnc1[C@H](O)CCCCl 308030359 ZCEWJXDWKGHNKM-ZCFIWIBFSA-N 189.646 0.868 50 10 ACGE C[C@H](Cl)C(C#N)=NO 386413646 IYLVVXKALONSJC-VKHMYHEASA-N 132.550 0.967 50 10 ACGE O=C(CCCl)NC1CSC1 575472180 HMFXDROGEOFEFI-UHFFFAOYSA-N 179.672 0.847 50 10 ACGE NC(=O)N/N=C/C=C/[C@@H]1CCCO1 585669212 NECGLWIPWCQCPF-FXWDPNIRSA-N 183.211 0.376 50 10 ACGE O=[S@](Cl)[C@@H]1CCOC1 675068598 QYDASSFKNSEOGN-VHWMUFPASA-N 154.618 0.678 50 10 ACGE NNC(=O)N1CCC[C@H](CCF)C1 701578840 DNYSVMWEYHQAFC-SSDOTTSWSA-N 189.234 0.641 50 10 ACGE C[C@H](Cl)C(=O)NCCOC1CC1 715063610 LXDJCRQLFLTMHH-LURJTMIESA-N 191.658 0.909 50 10 ACGE C[C@@H](Cl)C(=O)NC/C=C\CO 717499035 PDEDMZALJGSYNA-VROIDLATSA-N 177.631 0.278 50 10 ACGE CNNC(=O)C1(C)CC(F)(F)C1 720489689 DAGNQUZUZKGSFY-UHFFFAOYSA-N 178.182 0.672 50 10 ACGE CC(C)(C)[C@H]1CCC1=NNC(=O)CO 807980066 JFHYDSJFJCPCBR-ZETCQYMHSA-N 198.266 0.907 50 10 ACGE NNC(=O)Cc1ccc2c(c1)NCC2 825652705 ZNLYZUGMLKSKGA-UHFFFAOYSA-N 191.234 0.187 50 10 ACGE CNC(=O)NN=C1CO[C@@H](C)[C@H]1C 844577053 GBAYYGJLQVZRBL-RITPCOANSA-N 185.227 0.326 50 10 ACGE CN(C(=O)CCl)C1CSC1 885375208 LGTXNWHSTKJSKF-UHFFFAOYSA-N 179.672 0.799 50 10 ACGE C[C-]1C([C-]2N=C=C(C=O)O2)=C=NN1C 885570546 NGTVXZHKSUZYMH-UHFFFAOYSA-N 189.174 0.267 50 10 ACGE O=C[C@@]1(CCl)CCCO1 958688669 PRGQADDHWQZMRB-LURJTMIESA-N 148.589 0.973 50 10 ACGE COC(=O)c1ccc(CCN=C=O)o1 1535676830 JKOCKIMQDVJATK-UHFFFAOYSA-N 195.174 0.945 50 10 ACGE C[C@H](CC(=O)O)OC(=O)F 1880072736 ZUTARPHACSKEBW-GSVOUGTGSA-N 150.105 0.956 50 10 ACGE O[C@@H](CF)CNC1CC(Cl)C1 1880146802 WIYVWTNVAKHQHP-AHXFUIDQSA-N 181.638 0.676 50 10 ACGE NC[C@H](CC(F)F)NC(=O)F 1880309604 OWDUEOOMMULFJY-VKHMYHEASA-N 170.134 0.648 50 10 ACGE N[C@H]1CN(C(=O)F)CC12CC2 1880312262 HEROOYFQRZZAJQ-YFKPBYRVSA-N 158.176 0.499 50 10 ACGE O=C(F)OC[C@H]1CNCCO1 1880312709 NOLCWWGLPZWNCB-RXMQYKEDSA-N 163.148 0.081 50 10 ACGE C[C@@H]1CN(C(=O)F)[C@H](C)CN1 1880312785 OMVQFGYQNFGDQV-PHDIDXHHSA-N 160.192 0.758 50 10 ACGE COC[C@H](CNC(=O)F)OC 1880313138 SZEQDQLJKCVSKI-YFKPBYRVSA-N 165.164 0.327 50 10 ACGE Cl[C@H]1C[C@H]1CO[C@H]1CNOC1 1880434116 NADSFKWFQCRHJX-ACZMJKKPSA-N 177.631 0.534 50 10 ACGE COC(=O)[C@H](N)C[C@H]1C[C@@H]1Cl 1880435175 ZMKFYRIMJPDQFM-NGJCXOISSA-N 177.631 0.504 50 10 ACGE C#C[C@H](C)NC(=O)[C@@H]1C[C@@H]1Cl 1880449713 GCRLMHAULKFUDZ-XVMARJQXSA-N 171.627 0.752 50 10 ACGE C#C[C@@H](CCl)NCCN(C)CC 1880673413 BRXPWNGMWXWFCF-VIFPVBQESA-N 188.702 0.768 50 10 ACGE CO[C@H](CCl)Cc1cnnn1C 1880743557 RHTXRHYUQBIKMB-ZETCQYMHSA-N 189.646 0.611 50 10 ACGE O=C(F)[C@H]1CCn2ncnc2C1 1880775904 PIAANEJTKSXUAV-YFKPBYRVSA-N 169.159 0.337 50 10 ACGE CN(C[C@@H](O)CCl)[C@H]1C[C@H](O)C1 1880788105 CAVWPGQZQSVCOI-FXQIFTODSA-N 193.674 0.041 50 10 ACGE O=C(F)N1C[C@H]2CNC[C@@H](C2)C1 1881050601 BBBPLMITZVJOJG-RNFRBKRXSA-N 172.203 0.617 50 10 ACGE NCC1(NC(=O)F)CCOCC1 1881052135 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FCBBLCBEYOIXHN-UHFFFAOYSA-N 154.169 0.446 50 10 ACGE Cc1ccc(C(=O)N=C=O)cn1 235788280 PVFRASKJDOTWKS-UHFFFAOYSA-N 162.148 0.866 50 10 ACGE CCOC(=O)[C@H](N)[C@H](Cl)CC 238254652 VLGBYQVUWMMTRU-PHDIDXHHSA-N 179.647 0.894 50 10 ACGE C[C@H](CBr)C(=O)NO 238444819 WLVDCGRMXCPVMG-GSVOUGTGSA-N 182.017 0.523 50 10 ACGE Cc1nccc2cccc(B(O)O)c12 238492650 PFWDYMYTNCFHRV-UHFFFAOYSA-N 187.007 0.223 50 10 ACGE C=C(CN=C=O)[C@@H]1CCN(C)C1 258199771 NHDOCHWBFXWFNQ-SECBINFHSA-N 166.224 0.830 50 10 ACGE O=C(O)[C@@H](Cl)[C@H]1CCOC1 306153758 HMXVVXUGHUMCEZ-WHFBIAKZSA-N 164.588 0.715 50 10 ACGE O/N=C\CI 306309540 PEUMWMYFCDYMSL-RQOWECAXSA-N 184.964 0.881 50 10 ACGE C[C@H]1[C@@H](CO)CCN1C(=O)CCl 306606487 HFEVGAFQPYWROL-NKWVEPMBSA-N 191.658 0.455 50 10 ACGE C[C@@H]1O[C@H]1C[C@H](O)CBr 307000928 BXSPSZHEWKIVAV-ZLUOBGJFSA-N 195.056 0.920 50 10 ACGE CC1(/C=C\C=O)COC1 307810884 NWZLTZHFHUGGAV-IHWYPQMZSA-N 126.155 0.778 50 10 ACGE CC(=O)NNC(=O)NCCCCF 308150454 OAWMHDMVSLMNPT-UHFFFAOYSA-N 191.206 0.086 50 10 ACGE CSCCCOCCC(=O)NN 382789907 KLHCROPYDWXBFE-UHFFFAOYSA-N 192.284 0.136 50 10 ACGE C=CC#C[C@H](C)C(C)=NNC(N)=O 383545742 BCDOFGUOFHYXBS-ZETCQYMHSA-N 179.223 0.856 50 10 ACGE COC[C@@H](Cl)c1cnn[nH]1 675080273 NBPPYSNPTLEHQH-SCSAIBSYSA-N 161.592 0.731 50 10 ACGE NNC(=O)CCN1C[C@H]2CC[C@@H](C2)C1 703897194 UGOFITWVQLACOF-IUCAKERBSA-N 197.282 0.098 50 10 ACGE C[C@H](Br)C1CNC1 719898026 UTSQIIFMJMHYEM-BYPYZUCNSA-N 164.046 0.989 50 10 ACGE C[C@H](N=C=O)c1cc[nH]n1 1535830868 TZUFNKOFCKFMDT-YFKPBYRVSA-N 137.142 0.807 50 10 ACGE [C-]#[N+][C@H]1CCS(=O)(=O)C1(C)C 1536208564 AEJGLTGCVZCGLP-LURJTMIESA-N 173.237 0.871 50 10 ACGE CNC(=O)NNC(=O)C(C)=C1CCC1 1626581922 IRVKGROOAFMDOL-UHFFFAOYSA-N 197.238 0.447 50 10 ACGE O[C@@H]1C[C@@H]2[C@H]1CCN2CCCl 1877530560 GCBMOARNIYHBQZ-BWZBUEFSSA-N 175.659 0.680 50 10 ACGE C#CC1(OCCl)COC1 1879952927 YBBKAJOQGXAEFJ-UHFFFAOYSA-N 146.573 0.602 50 10 ACGE CC(C)C(=O)CNC(=O)F 1880055243 HCLRLMNTWLFYQO-UHFFFAOYSA-N 147.149 0.891 50 10 ACGE O=C(F)O[C@@H]1CCCNC1 1880056292 WKTLQQKFJOUBIW-RXMQYKEDSA-N 147.149 0.845 50 10 ACGE O=C(F)N1CCO[C@H]2C[C@H]21 1880056444 YMUSSHNBUYQAMF-UHNVWZDZSA-N 145.133 0.549 50 10 ACGE C=C[C@H](NC1CC(Cl)C1)C(=O)O 1880576559 IXUFBNCSJFHKDQ-AHXFUIDQSA-N 189.642 0.985 50 10 ACGE O=C(F)NC[C@H]1[C@H]2COCC[C@@H]21 1881050583 AYTYLGNHTPMHHD-QYNIQEEDSA-N 173.187 0.948 50 10 ACGE CCN(C[C@H](C)C(=N)N)C(=O)F 1881053063 KFQBYMCNJCGVDB-YFKPBYRVSA-N 175.207 0.970 50 10 ACGE C=C(CO[C@@H](C)C(C)C)B(O)O 1881438652 QFXOBFSHYSGYIC-QMMMGPOBSA-N 172.033 0.616 50 10 ACGE O=C(F)Nc1nccnc1C(=O)O 1882783301 CMJVRBBRPDRQKM-UHFFFAOYSA-N 185.114 0.676 50 10 ACGE Cn1cc(NC(=O)F)c(C(=O)O)n1 1882783309 CQIZJYARLMZGOD-UHFFFAOYSA-N 187.130 0.620 50 10 ACGE C[C@@H]1N[C@H](C)CC[C@H]1C(=O)NN(C)C 1885645319 BKDHYRRGDZXUGB-HRDYMLBCSA-N 199.298 0.356 50 10 ACGE O=C(F)NCCSCCO 1886561016 VYEDXVBZUKKJLA-UHFFFAOYSA-N 167.205 0.391 50 10 ACGE C=C(CN(C)[C@@H]1[C@@H](C)C[C@H]1C)B(O)O 1888269507 KCMQBSBVGHSGPT-MBTKJCJQSA-N 197.087 0.531 50 10 ACGE CC=CN=C=O 1911601559 QWBNZGHJDZEJBE-UHFFFAOYSA-N 83.090 0.856 50 10 ACGE C[C@@H]1CN=C(N2CC=C(C#N)CC2)N1 1921807080 XRNUBFQWRPVZMX-MRVPVSSYSA-N 190.250 0.490 50 10 ACGE CNNC(=O)[C@@H]1CC[C@@H](F)C1 1930639200 WAADILZPCUNLGE-PHDIDXHHSA-N 160.192 0.375 50 10 ACGE CC1(COCC(=O)NN)CCCC1 1930906368 ZOHCISAXEFZGPI-UHFFFAOYSA-N 186.255 0.573 50 10 ACGE CC[C@H](CCOC)C(=O)N(C)N 1931777946 STGTZKGJRNXSRQ-SSDOTTSWSA-N 174.244 0.381 50 10 ACGE NNC(=O)N1CC[C@H]2[C@H](C1)C2(F)F 1931857796 KTIBQXUWKYMJPE-WHFBIAKZSA-N 191.181 0.157 50 10 ACGE N#CC=C(N)c1cccnc1 1935502961 LYVMPDNCWIHLDR-UHFFFAOYSA-N 145.165 0.905 50 10 ACGE O=C=NC(=O)[C@@]12CC[C@@H]1C2 1935506003 KYBHJVAJOWJZES-IYSWYEEDSA-N 137.138 0.649 50 10 ACGE NC[C@H]1C[C@H](CCl)CO1 1953133729 QVGPQTRHQLRIAY-PHDIDXHHSA-N 149.621 0.589 50 10 ACGE C[C@@H]1C[C@@H](C(=O)CBr)N1 1953138313 GOXHWASAFGPHSI-UHNVWZDZSA-N 192.056 0.701 50 10 ACGE Cc1n[nH]cc1C(=O)N1CC(Cl)C1 1954056435 IGGIJECDUYKVGA-UHFFFAOYSA-N 199.641 0.781 50 10 ACGE C#C[C@]1(O)CCN(CC=CCCl)C1 1954823598 JSUBRLJHBVRQAC-JTQLQIEISA-N 199.681 0.851 50 10 ACGE C[C@@H]1CNC[C@H]1N[C@H]1C[C@H](Cl)C1 2241659423 KRKONSTYZIXKCM-FNCVBFRFSA-N 188.702 0.954 50 10 ACGE CS(=O)(=O)C1CC(C(=O)Cl)C1 2241660843 XGWOKKOPVGZETI-UHFFFAOYSA-N 196.655 0.575 50 10 ACGE C[C@H](N[C@H]1C[C@H](Cl)C1)C(N)=O 2241667582 KFXXLSRZQAPQTB-ZLUOBGJFSA-N 176.647 0.220 50 10 ACGE O[C@@H]1[C@H]2C[C@@H]1CN(CCCl)C2 2241816392 YYJBSVKEFRUORQ-JIGDXULJSA-N 175.659 0.538 50 10 ACGE O[C@H]1[C@H]2C[C@@H]1CN(CCCCl)C2 2241819262 JLGCENVKBPWTLV-AYMMMOKOSA-N 189.686 0.928 50 10 ACGE O=C(F)[C@]12COC[C@H](C1)C2 2242142308 SIFXPRBSZSNJNQ-KBTIHESUSA-N 144.145 0.909 50 10 ACGE CC(C)(N)C#C[C@@](C)(O)CCl 34135545 NONVTBBCYSOMDP-MRVPVSSYSA-N 175.659 0.717 50 10 ACGE O=C(O)C[C@H]1OCC[C@H]1Cl 75546473 ZRCOEKHTUKBNTP-RFZPGFLSSA-N 164.588 0.857 50 10 ACGE CCC(C)(C)OCCCC(=O)NN 82464362 VZCZVXTWPGPLLB-UHFFFAOYSA-N 188.271 0.962 50 10 ACGE C=CCN(CC=C)[C@H](CC)C(=O)NN 82471090 UQSPDQGAEXZUEO-SECBINFHSA-N 197.282 0.429 50 10 ACGE C[C@@H]1CC[C@@H](C)N(CC(=O)NN)C1 84054994 AXTQFWKPCQQZCZ-HTQZYQBOSA-N 185.271 0.097 50 10 ACGE COCOC=C(C#N)C#N 96102731 JGBHAYRAZSJDDX-UHFFFAOYSA-N 138.126 0.538 50 10 ACGE OC1COC(CCCl)OC1 104689273 KDWOJNLAVFQOAA-UHFFFAOYSA-N 166.604 0.349 50 10 ACGE OCCn1cc(CCl)nn1 104714431 HPTPQPGAPONVKL-UHFFFAOYSA-N 161.592 0.009 50 10 ACGE NNC(=O)C[C@@H]1CC=CCC1 117502561 UECMEIDWPFXZAN-SSDOTTSWSA-N 154.213 0.723 50 10 ACGE C[C@H](O)[C@H](S)Cl 142064316 FBXMSZFNVHWFHH-HRFVKAFMSA-N 126.608 0.862 50 10 ACGE CCOC(=O)NC(=O)CCCl 147234625 UPRLMASOIXEPOR-UHFFFAOYSA-N 179.603 0.888 50 10 ACGE C[C@@H]1CN(C[C@H](O)CCl)CCO1 156298841 XYZYDDLUQFBVON-HTQZYQBOSA-N 193.674 0.307 50 10 ACGE C[C@H]1C[C@@H](C)CN1C(=O)NN 158103530 VGVZXWGGAQGYGX-RITPCOANSA-N 157.217 0.300 50 10 ACGE O=C=N[C@H]1CCN2CCC[C@@H]2C1 158873884 JSEDOPSSONQPFJ-DTWKUNHWSA-N 166.224 0.949 50 10 ACGE COC(=O)C/C=C/C=O 165324805 MICDHOCTLBIAPK-NSCUHMNNSA-N 128.127 0.305 50 10 ACGE CC(C)c1cc(N)cc(B(O)O)c1 204720518 FDKRXLZJTVLHAS-UHFFFAOYSA-N 179.028 0.072 50 10 ACGE CCOC(=O)/C(C#N)=C1/NC[C@@H](C)O1 205948348 XFVCWEKLUZYBIQ-VALLEEFXSA-N 196.206 0.293 50 10 ACGE CC(C)[n+]1[nH]oc(=N)c1CCl 219944936 NFEGGTIPHLXUNQ-UHFFFAOYSA-N 176.627 0.694 50 10 ACGE [C-]#[N+][C@H](CC)CO 225409568 WLCPAGKQINDBSI-RXMQYKEDSA-N 99.133 0.677 50 10 ACGE CN(C)NC(=O)c1c(O)cccc1O 232434284 GQVPVRQSXRSVRD-UHFFFAOYSA-N 196.206 0.304 50 10 ACGE CC/C(=N/NC(N)=O)c1cc[nH]n1 238278995 GFOFZALEJONQCN-WZUFQYTHSA-N 181.199 0.192 50 10 ACGE COC(=O)[C@@H](C)OC(=O)[C@H](F)Cl 238338399 WIKSXLALRAAJGB-DMTCNVIQSA-N 198.577 0.626 50 10 ACGE C=C(C=O)[C@@](C)(OCOC)[C@@H]1CO1 238350657 GWOMHZXHNBTNPD-DTWKUNHWSA-N 186.207 0.520 50 10 ACGE CO[C@@H](Cl)C#N 238384828 HILBFINPJHHQKG-GSVOUGTGSA-N 105.524 0.721 50 10 ACGE CCC[C@@H](C)N(C)[C@H](C)C(=O)NN 251333225 NQIVZJGJBKQNLN-HTQZYQBOSA-N 187.287 0.485 50 10 ACGE N#C[C@@H](O)c1ccc(F)c(CO)c1 260081697 JUFWYMRGVGIIKX-SECBINFHSA-N 181.166 0.875 50 10 ACGE CC(C)(O)CCN1C=C(C#N)CC1=O 261153910 URSHRFDKFHYWCW-UHFFFAOYSA-N 194.234 0.787 50 10 ACGE O=CNN=Cc1ccccc1C(=O)O 263603530 NPGBAKTXVBLHMT-UHFFFAOYSA-N 192.174 0.465 50 10 ACGE CC(C)(CCl)NC(N)=S 306477534 AUALIZLBBWRVSL-UHFFFAOYSA-N 166.677 0.837 50 10 ACGE C/C(O)=C(\O)C=O 307270218 OTCIKNGMIQIYJR-ONEGZZNKSA-N 102.089 0.533 50 10 ACGE CO[C@@H]1CCC[C@@H](N=C=O)[C@H]1OC 307413353 UJLXJVGAGJNROH-IWSPIJDZSA-N 185.223 0.905 50 10 ACGE CCN(CC)NC(=O)/C=C/C(=O)O 383471340 CIDRQQFZBRQGBS-AATRIKPKSA-N 186.211 0.000 50 10 ACGE CCC(CC[C@H](C)O)=NNC(N)=O 383545762 BETHDLWIEHEGNX-LURJTMIESA-N 187.243 0.582 50 10 ACGE O=C(CCl)C(Cl)=NO 387910836 IAPUXXZOKAZTNA-UHFFFAOYSA-N 155.968 0.821 50 10 ACGE O=C1NCN[C@@H]2C[C@@H](Cl)CC[C@@H]12 585663715 FHEQRMBUOJZGQN-RRKCRQDMSA-N 188.658 0.439 50 10 ACGE O=C(O)c1cnc(CCl)cn1 705921103 CMBIVMYDRSPOFZ-UHFFFAOYSA-N 172.571 0.914 50 10 ACGE CNC(=O)NNC(=O)/C=C\C(C)(C)C 735039858 FRZDTUGWKJBIBE-WAYWQWQTSA-N 199.254 0.549 50 10 ACGE CN(N=C1CO[C@H](C2CC2)C1)C(N)=O 853327067 YXVIJRSEWFIWMH-QMMMGPOBSA-N 197.238 0.552 50 10 ACGE C=C/C=C/CC(=O)NN(C)CCOC 1157605780 BVRMWGGJOVWABG-AATRIKPKSA-N 198.266 0.728 50 10 ACGE COc1cncc(CN=C=O)c1 1535708784 AKAKCSCLJJFPMR-UHFFFAOYSA-N 164.164 0.926 50 10 ACGE CCn1ncnc1/C=C/C=O 1535767230 CMQMLWUNWSVVMG-ONEGZZNKSA-N 151.169 0.510 50 10 ACGE CCC(=O)NOCCBr 1879976423 ZMFKSMRFVANGNM-UHFFFAOYSA-N 196.044 0.839 50 10 ACGE CO[C@H](CCl)[C@H]1CN[C@H]1C 1880046619 ARSIYJNRYAADQE-LYFYHCNISA-N 163.648 0.848 50 10 ACGE O=C(Cl)N[C@H]1COC[C@H]1F 1880076214 AIVRNCVATBKMSU-DMTCNVIQSA-N 167.567 0.672 50 10 ACGE Cc1n[nH]c(=N[C@@H](C)CCl)o1 1880170118 MQPVNLINKFMAMX-BYPYZUCNSA-N 175.619 0.839 50 10 ACGE CS(=O)(=O)N[C@@H]1CC[C@H](Cl)C1 1880198232 NFKOREUECUVRBJ-NTSWFWBYSA-N 197.687 0.696 50 10 ACGE NNC(=O)CCCSC1CC1 1880200097 IUIYTSWFVCYSII-UHFFFAOYSA-N 174.269 0.652 50 10 ACGE COCC(COC)[C@@H](N)CCl 1880216707 PHRIAUUHSPSXDY-ZETCQYMHSA-N 181.663 0.462 50 10 ACGE CNNC(=O)[C@H]1CCC1(C)C 1880342765 CINFZZQUXUWLHN-ZCFIWIBFSA-N 156.229 0.673 50 10 ACGE COC[C@@H]1C[C@H]1NC(=O)OCCl 1880694983 JMNWECQUOGDELT-NTSWFWBYSA-N 193.630 0.944 50 10 ACGE CC[C@](C)(NC(=O)F)C(=N)NO 1881050635 BJSKHBBQEKVGDA-LURJTMIESA-N 177.179 0.790 50 10 ACGE CCC(=O)NCCCNC(=O)F 1881053120 LBGABDFLSNOLHM-UHFFFAOYSA-N 176.191 0.582 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1C[C@@H](N)CCO1 1881271616 OVTABTFWCYWMCG-ACZMJKKPSA-N 191.658 0.689 50 10 ACGE O=C1CC(=O)N(C[C@H]2C[C@@H]2Cl)C1 1881374356 RZMGGGXOLBNBSL-VDTYLAMSSA-N 187.626 0.415 50 10 ACGE C[C@@H](CN)CNC(=O)[C@H]1C[C@@H]1Cl 1881399551 FBVGNGDIUGUVIJ-ACZMJKKPSA-N 190.674 0.325 50 10 ACGE N[C@@]12CCC[C@@H]1CN(C(=O)F)C2 1881440639 SKMZZOLQDHDBCN-HTRCEHHLSA-N 172.203 0.889 50 10 ACGE COC1CC(N)(COC(=O)F)C1 1881448994 YBIANGHPUCOZAC-UHFFFAOYSA-N 177.175 0.599 50 10 ACGE C[C@H]1CN(C)C[C@@H](CNC(=O)F)O1 1882788775 BRGBYKLHUYRUSU-NKWVEPMBSA-N 190.218 0.385 50 10 ACGE NNC(=O)NC1CC2(C1)CC2(F)F 1882795361 ZIQZUFVRUHQXLM-UHFFFAOYSA-N 191.181 0.347 50 10 ACGE CC(C)(CCF)C(=O)NNC(N)=O 1883130168 VYGUTEZNPISIGX-UHFFFAOYSA-N 191.206 0.072 50 10 ACGE C=C(CSc1cnn(C)c1)B(O)O 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1953192935 AQTVBECQHVRALU-SCSAIBSYSA-N 161.592 0.531 50 10 ACGE C[C@H](Cl)C(=O)[C@]12C[C@H](N)[C@@H]1C2 1953258524 FVZWXEYDEFOFSN-VUBPFVNUSA-N 173.643 0.920 50 10 ACGE C[C@@H]1CCOCC[C@@]1(O)C#N 1953314752 WRDIQDZCOQTCSF-HTQZYQBOSA-N 155.197 0.688 50 10 ACGE CCc1nc(C=CB(O)O)ns1 1953579035 ZFQPKYYOSKZYSD-UHFFFAOYSA-N 184.029 0.126 50 10 ACGE O=C1CN(CC=CCCl)CCN1 1953616647 CNWKWMSTHWKHIQ-UHFFFAOYSA-N 188.658 0.213 50 10 ACGE CC[C@]12C[C@@H]1CN(CCC(=O)NN)C2 1956477717 FFWPWXYONQBMMU-PSASIEDQSA-N 197.282 0.098 50 10 ACGE Cc1scnc1C=NNC(N)=O 2209085617 KNTRYXNVIQRUSR-UHFFFAOYSA-N 184.224 0.454 50 10 ACGE C=C(COC[C@@]1(F)C[C@@H]1C)B(O)O 2209231274 PHYRDHUBLNNHRE-XPUUQOCRSA-N 188.007 0.319 50 10 ACGE CCC=CCCOCCC(=O)NN 2209305933 FJLHJYCCIHEVKI-UHFFFAOYSA-N 186.255 0.739 50 10 ACGE O=C(F)N[C@@H]1C[C@@]12C[C@@H]2C(=O)O 2241526850 AOINKBDNBJQPNK-XAQAVTJOSA-N 173.143 0.529 50 10 ACGE COC(=O)C(C#N)=C1[C@H]2CNC[C@@H]1C2 2241825391 OHLUSVXFUGZPLK-KNVOCYPGSA-N 192.218 0.219 50 10 ACGE 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ACGE C#C[C@H](C)NC(=O)/C=C/C(=O)Cl 1881396364 WGLLVDKTNFLZMA-OVCGOVNKSA-N 185.610 0.446 50 10 ACGE CC[C@H]1C[C@@H]1COCC(=O)NN 1881496375 OKOGHJOAQYQRLT-NKWVEPMBSA-N 172.228 0.039 50 10 ACGE ClC[C@H]1C=CCN1c1nccnn1 1881716753 QMHBZHPVGAQQQS-SSDOTTSWSA-N 196.641 0.855 50 10 ACGE C#C[C@@H](CCl)NCc1cncn1C 1881941991 OBCKKCVKDYLDSY-QMMMGPOBSA-N 197.669 0.750 50 10 ACGE O=C(F)NC[C@@H]1[C@@H](C(=O)O)C1(F)F 1882778369 SQKOXAOYSJANEQ-GBXIJSLDSA-N 197.112 0.631 50 10 ACGE C[C@@H](COCC1(F)CC1)C(=O)NN 1888724810 AUKYLETYEUHEQE-LURJTMIESA-N 190.218 0.131 50 10 ACGE CCN(C)NC(=O)C1(C)COC1 1923512810 GVBJUUQQZVEWSU-UHFFFAOYSA-N 172.228 0.006 50 10 ACGE C#C[C@H](C)N[C@]1(CCl)CCOC1 1925389600 OHHMWQJNKDPNGY-IUCAKERBSA-N 187.670 0.996 50 10 ACGE CC(C)C[C@@H](C)C(=O)NNCCO 1929833873 RMOYDLIFYZNWKL-MRVPVSSYSA-N 188.271 0.282 50 10 ACGE CCCN(CCCO)C(=O)CCl 1930062333 JBXJGRMHZRIGGW-UHFFFAOYSA-N 193.674 0.846 50 10 ACGE ClCCN1C[C@@H]2OCCO[C@@H]2C1 1930248917 OJTSRXOFUVFBIO-OCAPTIKFSA-N 191.658 0.325 50 10 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RZBOETXZKMFALS-UHFFFAOYSA-N 184.239 0.349 50 10 ACGE CC1CC(CS(=O)(=O)N=C=O)C1 885543082 TTYQDRVFXMMCLE-UHFFFAOYSA-N 189.236 0.698 50 10 ACGE COC(=O)N(C)NC(=O)[C@H]1CC12CC2 1157409381 KOSUIGVCBGSUPS-ZCFIWIBFSA-N 198.222 0.516 50 10 ACGE O=C(N=C=S)[C@H]1C[C@H]1F 1879952834 RQIMZJAMVUPTAQ-IUYQGCFVSA-N 145.158 0.974 50 10 ACGE COC[C@H]1C[C@H]1NC(=O)F 1880055484 JOPUPFWEGBPHPN-RFZPGFLSSA-N 147.149 0.700 50 10 ACGE CC1([C@@H](CO)NC(=O)F)CC1 1880312243 GYSUHOFKFRHLJE-RXMQYKEDSA-N 161.176 0.827 50 10 ACGE CN(C[C@H]1C[C@H]1Cl)C1CNC1 1880436811 SDHADNGTKPIXSG-HTRCEHHLSA-N 174.675 0.517 50 10 ACGE N#C[C@]1(O)CN[C@@H]2CCCC[C@@H]21 1880788117 CDARINKUBNQISM-YIZRAAEISA-N 166.224 0.403 50 10 ACGE O=C(F)O[C@@H]1CN[C@@H]2COC[C@H]21 1881051814 SAGKICWYQNXVTL-HSUXUTPPSA-N 175.159 0.079 50 10 ACGE NC[C@@H]1CO[C@@H](CNC(=O)F)C1 1881053961 WCLSEMIDJKZBRT-PHDIDXHHSA-N 176.191 0.029 50 10 ACGE O=C1CN(C[C@@H]2C[C@H]2Cl)C(=O)N1 1881367834 YNMCXSAMKSOPHC-CRCLSJGQSA-N 188.614 0.166 50 10 ACGE CN1CC(CN2CC(CCl)C2)C1 1881472424 YXJDVEZVPOWEHH-UHFFFAOYSA-N 188.702 0.719 50 10 ACGE O=C(O)C[C@@H]1COCCN1C(=O)F 1882787852 PWONWAOWULVTQU-RXMQYKEDSA-N 191.158 0.251 50 10 ACGE N=c1[nH]ccc(=NC[C@@H]2C[C@H]2Cl)[nH]1 1883550846 HBTNCYADYFVYPR-NTSWFWBYSA-N 198.657 0.350 50 10 ACGE C[C@@H](CCN)N1CC=C(C#N)CC1 1883687439 SYEPBSFLOCYQPZ-VIFPVBQESA-N 179.267 0.879 50 10 ACGE C=CCOC[C@@H]1CC[C@@H](C(=O)NN)C1 1885659476 OYIAZSXGLIXPFS-RKDXNWHRSA-N 198.266 0.595 50 10 ACGE C[C@@]1(B(O)O)CCN(C2CC=CC2)C1 1891584269 FSNLNPKUJOCYNO-SNVBAGLBSA-N 195.071 0.644 50 10 ACGE N[C@H](CCl)CC[C@H]1CNCCO1 1892742409 UIQTZEUNBWWHFX-YUMQZZPRSA-N 192.690 0.321 50 10 ACGE CCn1cc(C=CB(O)O)nc1C 1913010323 GERXBJCJEZWJQU-UHFFFAOYSA-N 180.016 0.237 50 10 ACGE CS(C)(=O)=NCCOCCCl 1913481738 HEDXABIYCKSZSD-UHFFFAOYSA-N 199.703 0.969 50 10 ACGE NNC(=O)NCCCCCF 1913695167 QFXAPEWHDFHPGW-UHFFFAOYSA-N 163.196 0.299 50 10 ACGE N#CC1(O)CC2(CCNC2)C1 1917624384 CPXQKLIFHAMDQI-UHFFFAOYSA-N 152.197 0.015 50 10 ACGE CC[C@H](NC(=O)NN)[C@@H]1C[C@H]1C 1928782523 DKWQHBDVJYPULO-QYNIQEEDSA-N 171.244 0.594 50 10 ACGE C[C@H]1N(CCC(=O)NN)CCC1(C)C 1928913750 OVSIIIPIFDKKEG-MRVPVSSYSA-N 199.298 0.487 50 10 ACGE C[C@@H]1CC[C@@H](N(C)[C@H](C)C(=O)NN)C1 1931524845 QEXAGZUXGDRDSV-IWSPIJDZSA-N 199.298 0.485 50 10 ACGE N#C[C@@H](O)[C@H](N)c1ccccc1O 1952885936 QSYCNUVISBBWEA-RKDXNWHRSA-N 178.191 0.276 50 10 ACGE C[C@H]1CN(C(=O)Cl)CC[S@]1=O 1953327218 ZEATXVLFCXVOKD-ULHQUTTKSA-N 195.671 0.798 50 10 ACGE COCCN(C[C@@H](C)O)C(=O)F 2242091769 MJANTJFWGZYCJI-ZCFIWIBFSA-N 179.191 0.405 50 10 ACGE CNc1ccc(C)cc1C(=O)NN 8703184 QWVAHWLWPAQNJW-UHFFFAOYSA-N 179.223 0.640 50 10 ACGE O=C(CCl)c1ncccn1 39054735 VMWAQWAHPRVJOD-UHFFFAOYSA-N 156.572 0.898 50 10 ACGE CC[C@@H](CO)NCCCCl 58850056 NIZJVJSZBUJTSY-ZETCQYMHSA-N 165.664 0.976 50 10 ACGE CCCN(C[C@H](C)C(=O)NN)C1CC1 82467226 AGQZFJPCUPRNGT-QMMMGPOBSA-N 199.298 0.487 50 10 ACGE C[C@@H](O)CCNC(=O)CCl 82992444 KGHSIOKYMNTJRD-RXMQYKEDSA-N 165.620 0.112 50 10 ACGE FCCN1CCN(CCCl)CC1 87777209 AOENJYCTXXCFOV-UHFFFAOYSA-N 194.681 0.812 50 10 ACGE NNC(=O)c1nccc(Cl)c1F 104572404 FPULNYWIAGUFQZ-UHFFFAOYSA-N 189.577 0.478 50 10 ACGE OCCCC[C@H](O)CCl 104722656 JOGVFXQUCFRMMU-LURJTMIESA-N 152.621 0.749 50 10 ACGE Cn1nnc2cc(N=C=O)ccc21 107458582 HQJSBMWAGVDIOU-UHFFFAOYSA-N 174.163 0.936 50 10 ACGE C[C@H]1C[C@](O)(C#N)CS1 126217193 ZGMRNJJFPHBJAB-WDSKDSINSA-N 143.211 0.766 50 10 ACGE OC[C@H](Br)[C@@H]1C=CCO1 145486924 WFGWECRZHNHOTB-WDSKDSINSA-N 193.040 0.697 50 10 ACGE C[C@@H](C#N)CN(C)C[C@H](O)CCl 156322299 CEPJATGRQWUXAX-JGVFFNPUSA-N 190.674 0.678 50 10 ACGE NC(=O)N/N=C1/CCN2CCC[C@H]2C1 157023095 ZAFWYLPYLXZGPD-CLUBXZQOSA-N 196.254 0.269 50 10 ACGE C=C(C)COc1ccccc1B(O)O 197957826 REXKWNPFIAUQEC-UHFFFAOYSA-N 192.023 0.321 50 10 ACGE CC(=O)[C@]1(C)O[C@H]1/C=C\C=O 204948824 CXKGBYZSVHZMSK-FBJRUSGASA-N 154.165 0.488 50 10 ACGE O=C/C=C/[C@@H]1CC(=O)CO1 208300621 NXBGLTAXTKTMHK-QOHHWTFISA-N 140.138 0.100 50 10 ACGE NC(=O)/C=C\OCCCCl 212047869 YMMOGBSBZSBNQL-DJWKRKHSSA-N 163.604 0.631 50 10 ACGE O=C(O)/C=C\[C@@H](O)CCl 212141546 QQLKUGMSTNALRF-HYLWAGPFSA-N 150.561 0.227 50 10 ACGE CC(C)NC(O)=C(C#N)C#N 220725386 LGGYCKCOWRFLGS-UHFFFAOYSA-N 151.169 0.801 50 10 ACGE NC(=O)N/N=C1\[C@@H]2C[C@H]2[C@H]2CC[C@@H]12 222038842 YVVDSTKSWRMONG-UEFZUTCTSA-N 179.223 0.687 50 10 ACGE O=C(CCl)NN1CCCC1 225781846 HYFGIZRIICWRLV-UHFFFAOYSA-N 162.620 0.352 50 10 ACGE CN(CC(=O)CCl)C(=O)C(F)F 234265910 ALOZJYIJJIWFBU-UHFFFAOYSA-N 199.584 0.518 50 10 ACGE C/C(CC[C@@H]1CCCO1)=N\NC(N)=O 238040280 IKWWLMFLQAKCHL-LBTPYSACSA-N 199.254 0.990 50 10 ACGE COC(=O)[C@@H]1CCCN1/C=C(/C)C=O 238333487 XWHYRGYDTIAMBV-XZLDQRQTSA-N 197.234 0.727 50 10 ACGE Cc1cc(O)c(Cl)cc1B(O)O 238470148 SHQBKYWSYQFATL-UHFFFAOYSA-N 186.403 0.034 50 10 ACGE ClC1[C@H]2COC[C@H]12 238514634 MOLVNUYGWMGNKQ-IMJSIDKUSA-N 118.563 0.870 50 10 ACGE CC(=O)NNC(=O)[C@@H]1CCC[C@@H]1C 306573639 QPGGDVNAJNIDEJ-POYBYMJQSA-N 184.239 0.590 50 10 ACGE C[C@@H](Cl)[C@]12C(=O)NC(=O)[C@H]1[C@H]2C 307080762 OPTVJYSXVQOIKI-DJSMDIAISA-N 187.626 0.522 50 10 ACGE C[Si](C)(C)OC[C@H](N)CO 307533167 GZCVDFLZBKQQAP-ZCFIWIBFSA-N 163.293 0.158 50 10 ACGE CC[C@H](C)C(=O)NN=CC#N 307895745 IGBHWAFDPPZWFZ-LURJTMIESA-N 153.185 0.658 50 10 ACGE CC[C@@H](C)C(=O)NN=CC#N 307895747 IGBHWAFDPPZWFZ-ZCFIWIBFSA-N 153.185 0.658 50 10 ACGE C[C@@H](O)CC=N/C(C#N)=C(\N)C#N 307986477 KHJOUTFTWPUDEQ-YESPVJDQSA-N 178.195 0.046 50 10 ACGE NC1=C(C=O)C(=O)NCCCCC1 388284838 TXFLYKNSBOQLIF-UHFFFAOYSA-N 182.223 0.088 50 10 ACGE Cn1nnnc1C/C=C\CCCl 697949350 ZGIIYRKNMJSECX-IHWYPQMZSA-N 186.646 0.938 50 10 ACGE CC[C@@H]1COC[C@@H]1NC(=O)CCl 699445338 VWGYMOMJNIVYIG-RQJHMYQMSA-N 191.658 0.766 50 10 ACGE CN1CCN(CCF)[C@@H](CCl)C1 699446275 AHOBCISJVUMRNZ-QMMMGPOBSA-N 194.681 0.811 50 10 ACGE CN(N)C(=O)C[C@@H]1C[C@H]1C1CC1 712964407 TVSQGICERCDMCV-YUMQZZPRSA-N 168.240 0.755 50 10 ACGE O=C=NC[C@@H]1C[C@H]2COC[C@H]2O1 724557579 WXJTWTIYEJNIDX-BIIVOSGPSA-N 169.180 0.126 50 10 ACGE CN1CCC(=NNC(N)=O)CC1(C)C 863064762 QPJSNNDERBZFFM-UHFFFAOYSA-N 198.270 0.515 50 10 ACGE Cc1nccnc1CCN=C=O 1535687055 DHFJDMMRJYDVBS-UHFFFAOYSA-N 163.180 0.663 50 10 ACGE O=C=NC1(c2cnco2)CC1 1535765850 HMSQOJZSUNDEML-UHFFFAOYSA-N 150.137 1.000 50 10 ACGE CC1(C)C[C@@H]([C@H](N)CCl)CN1 1880217589 UCOHDLDOPZUJHI-RNFRBKRXSA-N 176.691 0.941 50 10 ACGE NCCCC1(NC(=O)F)CC1 1880309132 GQEWLISUKWJQQH-UHFFFAOYSA-N 160.192 0.937 50 10 ACGE N[C@H]1CN(C(=O)F)CC1(F)F 1880311885 AWZNKDMQFVSJQO-VKHMYHEASA-N 168.118 0.354 50 10 ACGE N[C@@H]1CCOC[C@H]1OC(=O)F 1880312925 QCVLMUVLKYPCKQ-RFZPGFLSSA-N 163.148 0.209 50 10 ACGE O=C(F)NCC1[C@@H]2CNC[C@@H]12 1880316426 MJKDMGUYNKYRLK-RFZPGFLSSA-N 158.176 0.131 50 10 ACGE O=C=NC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21 1880578366 RQQDWLJQGFDFTQ-XVMARJQXSA-N 167.164 0.274 50 10 ACGE NNC(=O)N[C@H]1CCC2CC1C2 1881128257 IALUTYCYZMAPIT-AHXFUIDQSA-N 169.228 0.348 50 10 ACGE O=C(COC1CC1)NOCCCl 1881150856 WSUVUXXMIMTFLY-UHFFFAOYSA-N 193.630 0.452 50 10 ACGE C[C@H](NC[C@@H]1C[C@@H]1Cl)C(=N)NO 1881366625 RMFWZSROZXGOGL-ZLUOBGJFSA-N 191.662 0.548 50 10 ACGE C[C@H](CC(=O)NN)O[C@@H]1C=CCC1 1888054379 IKSOBDQMKJKQKY-HTQZYQBOSA-N 184.239 0.490 50 10 ACGE CO[C@H]1CNC[C@H]([C@@H](N)CCl)C1 1892748681 JAFNVUCSODLHGO-PRJMDXOYSA-N 192.690 0.177 50 10 ACGE C[C@@H](N)CN1CC=C(C#N)CC1 1917087322 FRONDQMJJZGWCW-MRVPVSSYSA-N 165.240 0.489 50 10 ACGE CCc1cc(C(=O)NN)c(C)o1 1923944154 NHLQIDFNNNGELD-UHFFFAOYSA-N 168.196 0.754 50 10 ACGE N#CCCS(=O)(=O)NCCCl 1925839240 LTPWVMFTJSAAHX-UHFFFAOYSA-N 196.659 0.058 50 10 ACGE CO[C@H]1COC[C@@H]1NCCCl 1928963114 PKGZFHWPTVHXSP-BQBZGAKWSA-N 179.647 0.229 50 10 ACGE Cc1nc(C[C@H](Cl)C=O)nn1C 1929102807 YAPWXIUVLWXTEQ-LURJTMIESA-N 187.630 0.472 50 10 ACGE O=C1C[C@@H]2COC[C@@H]2[C@H]1Cl 1934791652 CBIITBMGJKJJAQ-JCGDXUMPSA-N 160.600 0.829 50 10 ACGE NNC(=O)[C@@H]1CC[C@@]2(C1)CC2(F)F 1934811555 PHXHVLUASWTRED-IYSWYEEDSA-N 190.193 0.802 50 10 ACGE COC1(CCl)CN(C(C)=O)C1 1935347264 BZCFDZGJQSZBHI-UHFFFAOYSA-N 177.631 0.473 50 10 ACGE N#C[C@H](O)[C@@H](N)c1ccnc(Cl)c1 1952956356 IWYWZUHHFIDIKP-XPUUQOCRSA-N 197.625 0.619 50 10 ACGE Cc1cncc([C@@H](N)[C@H](O)C#N)c1 1952958548 RERMOSZGIKAQND-RKDXNWHRSA-N 177.207 0.274 50 10 ACGE N#C[C@@H](O)[C@@H](N)c1cnc(Cl)cn1 1952958920 XKSAJOHUENRHMG-VDTYLAMSSA-N 198.613 0.014 50 10 ACGE CCNCC(=O)[C@@H](C)Cl 1953138629 KUSUNARCUJKJLF-RXMQYKEDSA-N 149.621 0.792 50 10 ACGE COC[C@](C)(N)C(=O)CCl 1953155839 HHVCPCAKQNAVJJ-LURJTMIESA-N 165.620 0.158 50 10 ACGE C=C[C@@H](C)CC(=O)NNC 1953173879 NAYWGDLDSAGUAJ-ZCFIWIBFSA-N 142.202 0.449 50 10 ACGE CO[C@@H](C(=O)CCl)C1CNC1 1953324466 KULSIGVZJQFPEX-SSDOTTSWSA-N 177.631 0.029 50 10 ACGE NNC(=O)N[C@@H]1CCC[C@@H]1F 1953360281 INGDJRKQUUWGSF-CRCLSJGQSA-N 161.180 0.050 50 10 ACGE C#CCN1C[C@H](Cl)[C@@H]2COC[C@@H]21 1953466179 WNRHHWCYUBRGBP-CIUDSAMLSA-N 185.654 0.558 50 10 ACGE CCN(C(=O)NN)[C@H]1CCSC1 1953672212 GVZYDAUCHRBPOV-LURJTMIESA-N 189.284 0.397 50 10 ACGE C#CCN1CCO[C@H]([C@@H](C)Cl)C1 1953746493 DMOQBAAMHJPZCY-BDAKNGLRSA-N 187.670 0.948 50 10 ACGE O=C1CC2(C(=O)O1)[C@@H]1C[C@@H]1[C@H]1C[C@H]12 1953825098 FNTJMXGKZZBWMO-DBRKOABJSA-N 178.187 0.732 50 10 ACGE CO[C@H]1C[C@@H]2C[C@H]1CC2=NNC(N)=O 1955286629 WNNCNMCXCPGMCT-HAFWLYHUSA-N 197.238 0.456 50 10 ACGE N#CC1=CCN(C(=O)N2CCC2)CC1 1955629840 SBONDCZIVHWZFU-UHFFFAOYSA-N 191.234 0.968 50 10 ACGE C#CCOC(=O)N=C=O 2241622169 DLVFCMLJSVPPHD-UHFFFAOYSA-N 125.083 0.092 50 10 ACGE CS(=O)(=O)N[C@H]1C[C@H](Cl)C1 2241653816 NADBZKRNYZGRCM-URHBZAFASA-N 183.660 0.305 50 10 ACGE C=C(CNC[C@H](CCl)OC)OC 2242452677 OGSKPSYDRRHNLN-QMMMGPOBSA-N 193.674 0.990 50 10 ACGE CN(CCCl)CCC(=O)O 2017532 GNVBQCLBKHRFKJ-UHFFFAOYSA-N 165.620 0.632 50 10 ACGE CN(N=O)C(=O)NCc1cccnc1 5140391 AUIHBNNBHKPXOC-UHFFFAOYSA-N 194.194 0.904 50 10 ACGE CC(=O)SC[C@@H](O)CCl 34108328 BFHQCPYRDVZFTF-YFKPBYRVSA-N 168.645 0.866 50 10 ACGE C[C@@H](Br)C(=O)OCCO 34611706 IYZQGEVUBMPJAC-SCSAIBSYSA-N 197.028 0.305 50 10 ACGE C[C@H](Cl)C(=O)NC[C@@H](C)O 40802430 IJKQCRFBDOUCJZ-UHNVWZDZSA-N 165.620 0.111 50 10 ACGE C[C@H](Cl)C(=O)Nc1cc[nH]n1 42414646 WONYCZOZZFUPDV-BYPYZUCNSA-N 173.603 0.976 50 10 ACGE C[C@@H](Cl)[C@H]1COCO1 59394131 QYUTTWARCOXMDL-RFZPGFLSSA-N 136.578 0.987 50 10 ACGE NCCCC[C@H](N)C(=O)Cl 59565742 CWPDRBAWZYJDEH-YFKPBYRVSA-N 164.636 0.208 50 10 ACGE C[C@H](CC(=O)NN)N1CCC(C)(C)C1 87259488 HBBVRRJJLVUQBP-MRVPVSSYSA-N 199.298 0.487 50 10 ACGE NC(=O)[C@@H]1CCC[C@@H]1Cl 104635676 XBJSZSBIALOLTA-UHNVWZDZSA-N 147.605 0.879 50 10 ACGE COC(=O)[C@@H](O)CCCl 104685798 DGHBIYZLOVUVMO-BYPYZUCNSA-N 152.577 0.149 50 10 ACGE ClC[C@@]12COC[C@@H](CO1)O2 104712898 FWPFUULNQKAVSK-NTSWFWBYSA-N 164.588 0.367 50 10 ACGE C[C@H](O)[C@@H](CCl)[N+](=O)[O-] 104716822 COCZFPBDWYVPLW-IUYQGCFVSA-N 153.565 0.251 50 10 ACGE CN1CCN(C[C@H](Cl)C#N)C1=O 132585506 GHEZKTRYKTXDMY-ZCFIWIBFSA-N 187.630 0.485 50 10 ACGE C[C@@H]1NCN[C@@H]1Br 140850319 KTPSGCAXGBFECM-IMJSIDKUSA-N 165.034 0.246 50 10 ACGE O=C=NCNC(=O)c1ccccc1 142822291 WHGOISRYVJYKQI-UHFFFAOYSA-N 176.175 0.710 50 10 ACGE CNC(=O)N(C)/N=C/c1ccncc1 149890039 UCSSBUFEHIWOFV-KPKJPENVSA-N 192.222 0.687 50 10 ACGE Cc1ccc2c(B(O)O)cccc2c1 204468652 VMMSAHGMWYBUAH-UHFFFAOYSA-N 186.019 0.828 50 10 ACGE O=C/C=C\CCC1OCCO1 212001818 LKRNAICYAOTBQI-IWQZZHSRSA-N 156.181 0.895 50 10 ACGE CC[C@H]1C[C@@H]1N1CC(=O)OC(=O)C1 234062249 QQSXTLPZSIQGFK-BQBZGAKWSA-N 183.207 0.170 50 10 ACGE C=C(C=O)[C@@H]1CCOC1=O 238056206 JFILBODHWQWENB-LURJTMIESA-N 140.138 0.305 50 10 ACGE CC(=O)O[C@H](CO)CBr 238086969 SXBMBIOOCLNPDW-YFKPBYRVSA-N 197.028 0.305 50 10 ACGE COC(=O)c1ccc(N=C=O)nc1 238393412 WDBRGKVAVSJTBC-UHFFFAOYSA-N 178.147 0.836 50 10 ACGE CC1=C(C=O)NC(=O)[C@@H]1C 238436239 VUEGZZVYUGXGAD-RXMQYKEDSA-N 139.154 0.225 50 10 ACGE C[C@@]1(Cl)C(=O)NC[C@@H]1CCl 238483875 XZPSYKAIAWFGKV-NJGYIYPDSA-N 182.050 0.969 50 10 ACGE C[C@@]1(O)CCC=C1C=O 238499959 GWRZGUCEVNIHPD-SSDOTTSWSA-N 126.155 0.657 50 10 ACGE Cc1cc(C2CC2)cc(B(O)O)c1C 238518803 SPNOCAIKAVJZSY-UHFFFAOYSA-N 190.051 0.861 50 10 ACGE O=C(O)[C@H](Cl)[C@H](O)C(F)(F)F 238698183 JUDPITIFUJETPY-NCGGTJAESA-N 192.520 0.602 50 10 ACGE C#C[C@H](O)[C@H](O)CCBr 238698928 KFSGFCMCLBHFSH-NTSWFWBYSA-N 193.040 0.126 50 10 ACGE C=C[C@@H]1C[C@@]1(N=C=O)C(=O)OC 238800567 QADPWEFZDLRGHW-SVRRBLITSA-N 167.164 0.440 50 10 ACGE O[C@H]1CCCN(C[C@@H](O)CCl)C1 252739333 GVIUPKCWBKDILW-YUMQZZPRSA-N 193.674 0.043 50 10 ACGE N#C[C@@]1(O)CCCNCC1 261326393 PXISEDCFBXRILY-SSDOTTSWSA-N 140.186 0.015 50 10 ACGE OB(O)c1cc(-c2ccncc2)co1 306492890 QUFOLZIREVODBU-UHFFFAOYSA-N 188.979 0.021 50 10 ACGE CS[C@@H](C)C(=O)NN(C)C 306822635 NPAWBAIPWYDZRA-YFKPBYRVSA-N 162.258 0.331 50 10 ACGE Bc1ccc(CCl)cc1 307391424 WFOKHPMDNWDWOO-UHFFFAOYSA-N 138.406 0.684 50 10 ACGE C[C@@H]1O[C@@H]1/C=C/C=O 307576655 NKNZLLJWBSYTPO-KFBNRENSSA-N 112.128 0.529 50 10 ACGE CSSCCN1C[C@H](N)C1=O 307647420 CTCFWWYMGHJZSM-YFKPBYRVSA-N 192.309 0.167 50 10 ACGE CC[C@H](NS(C)(=O)=O)[C@H](C)Cl 307647630 DBFNYJCXKDLCAN-WDSKDSINSA-N 199.703 0.942 50 10 ACGE CC(=O)NNC(=O)[C@H]1C[C@@H]1C(F)F 307682830 SFPTWOFFLBCXGI-WHFBIAKZSA-N 192.165 0.055 50 10 ACGE CC(C)NC(=O)N/N=C/C#N 307749642 HLYWETSVLJEZRC-XBXARRHUSA-N 154.173 0.203 50 10 ACGE C#CC#C/C=C\C=O 394731811 SBGNBVHVUFAIAU-WAYWQWQTSA-N 104.108 0.378 50 10 ACGE CN(N)C(=O)c1c(O)cccc1O 575467092 WDWGSVOHENAOHN-UHFFFAOYSA-N 182.179 0.044 50 10 ACGE NNC(=O)NC[C@]12CCCC[C@@H]1C2 575479979 JMSUJEBDUZHWBB-VXNVDRBHSA-N 183.255 0.740 50 10 ACGE C[C@H]1CCN1CCCCCC(=O)NN 706733481 NUIIRMLQRXEUAM-VIFPVBQESA-N 199.298 0.631 50 10 ACGE C[C-]1C#CNN=C1NCCCl 885331692 OXNRYEBOVZTELR-UHFFFAOYSA-N 170.623 0.287 50 10 ACGE CC(C)[C@@H](C)OC1=C(C#N)NC#CN1 885579602 ZLSADHIUDNFDPA-MRVPVSSYSA-N 191.234 0.851 50 10 ACGE O=C=NCCc1c[nH]nc1[N+](=O)[O-] 1535756613 MGKYGRDFSLYSGK-UHFFFAOYSA-N 182.139 0.196 50 10 ACGE COCCCC(=O)F 1879944923 HRMLDRHNWBVGFW-UHFFFAOYSA-N 120.123 0.909 50 10 ACGE N#CNC[C@H]1C[C@@H]1Br 1879946791 LWHMHOQHRDEIDM-UHNVWZDZSA-N 175.029 0.840 50 10 ACGE C[C@@H]1CN(C(=O)F)C[C@H]1N 1880065482 VXTHTXKZBGUAET-RFZPGFLSSA-N 146.165 0.355 50 10 ACGE C#C[C@@H](CCl)NC[C@@H]1CCO1 1880175386 HGWSMDKRMZWKJK-YUMQZZPRSA-N 173.643 0.606 50 10 ACGE N[C@H](CCl)Cc1cncnc1 1880205836 VEXLVSKPLWWLLT-ZETCQYMHSA-N 171.631 0.585 50 10 ACGE NC(=S)[C@H]1CCN(C(=O)F)C1 1880315509 DGBUUNCSTIZVFZ-BYPYZUCNSA-N 176.216 0.684 50 10 ACGE C[C@@H](N)C[S@@](C)(=O)=NC(=O)F 1880315791 GWDCPBBPFXHTML-IOHHNLJHSA-N 182.220 0.521 50 10 ACGE COC[C@](C)(CO)NC(=O)F 1880316956 QOPXLFSUBQATDK-LURJTMIESA-N 165.164 0.063 50 10 ACGE O=C(F)NC[C@H]1CCC[C@@H]1O 1880316990 RDKGWIHYKKYQEO-RITPCOANSA-N 161.176 0.827 50 10 ACGE CC1(C)C[C@H](NC(=O)F)[C@H]1O 1880317290 VYRAHRHPSNDMLO-CRCLSJGQSA-N 161.176 0.825 50 10 ACGE ClCCONC[C@@H]1CCOC1 1880350090 IVAFGIRTUJYLCT-ZETCQYMHSA-N 179.647 0.783 50 10 ACGE C#C[C@H](N)COC[C@H]1C[C@H]1Cl 1880434717 SZDBKNCNXPWRKI-GJMOJQLCSA-N 173.643 0.591 50 10 ACGE O=C1CNC[C@@H]1C[C@@H]1C[C@@H]1Cl 1880435111 YWPYKSVDZDBUPM-VQVTYTSYSA-N 173.643 0.792 50 10 ACGE C[C@H](NC[C@@H]1C[C@@H]1Cl)C(=O)O 1880436424 NRBIGLSLZWWGOT-ZLUOBGJFSA-N 177.631 0.676 50 10 ACGE COC(=O)C(C)(C)CNC(=O)F 1881053933 VPXJBYCQWZMWQC-UHFFFAOYSA-N 177.175 0.865 50 10 ACGE C[C@@]1(C[C@@H](N)CCl)COCCN1 1881525512 VTRFWBNLYVQABK-HTQZYQBOSA-N 192.690 0.321 50 10 ACGE Cn1cc(CNCC#CCCl)nn1 1881918590 OHVHSSKQXZSRAU-UHFFFAOYSA-N 198.657 0.147 50 10 ACGE COCCN1CC[C@H](NC(=O)F)C1 1882787976 RFIAWLLEVUBRHV-ZETCQYMHSA-N 190.218 0.386 50 10 ACGE C[C@@]1(CO)COCCN(C(=O)F)C1 1883848458 DOYRZORXNCNTQR-MRVPVSSYSA-N 191.202 0.407 50 10 ACGE Cc1cn(C)nc1C=C(C#N)C(=O)O 1884838046 QJJPXBDIQYHZID-UHFFFAOYSA-N 191.190 0.720 50 10 ACGE [N-]=[N+]=NCCC[C@@H]1C[C@H]1C(=O)NN 1887614648 XNPRUVSKAQCNHW-PHDIDXHHSA-N 183.215 0.703 50 10 ACGE CCOC(=O)C(C#N)=C1CCC[C@H]1N 1895647604 RZRLZTABHSECMN-SECBINFHSA-N 194.234 0.881 50 10 ACGE CC[C@H](C)[C@H](C)NCB(O)O 1923525206 ACWRPAKAHWQLBS-BQBZGAKWSA-N 159.038 0.023 50 10 ACGE NNC(=O)[C@@H]1CCC[C@H]1C1CC1 1923846894 WNRFOTJRLWFTJG-JGVFFNPUSA-N 168.240 0.803 50 10 ACGE C#C[C@@H](C)N[C@H](CCl)COC 1925466317 AWDZCDAIMAJCFX-HTQZYQBOSA-N 175.659 0.852 50 10 ACGE O=C(NCCCl)c1cocn1 1929860519 WCGIXJAAMPZSQX-UHFFFAOYSA-N 174.587 0.643 50 10 ACGE CO[C@]1([C@@H](C#N)N=C=O)CCOC1 1931461458 OOJOMCMSVHHOSO-HTQZYQBOSA-N 182.179 0.020 50 10 ACGE C[C@H]1CCOC[C@@]1(O)C#N 1932275827 VRYKAXJZGFFSOA-BQBZGAKWSA-N 141.170 0.297 50 10 ACGE Cc1cccnc1[C@@H](O)C#N 1951486037 GZVQCXOTLBZNBR-ZETCQYMHSA-N 148.165 0.947 50 10 ACGE N#C[C@@H](O)[C@H](N)c1cccc(F)c1F 1952792692 JFRHWNWKBCUQLM-VXNVDRBHSA-N 198.172 0.849 50 10 ACGE C[C@@H](Cl)C(=O)[C@@H](N)C1COC1 1953259216 QWUXBAQORGZESJ-XINAWCOVSA-N 177.631 0.157 50 10 ACGE C[C@H](CCl)CN(C)CC(N)=O 1953288295 ZOZXGGKTSQBVLV-ZCFIWIBFSA-N 178.663 0.278 50 10 ACGE C=C[C@H](CO)NC(=O)C[C@H](C)Cl 1953762226 CDMVZBNWDYVFDR-NKWVEPMBSA-N 191.658 0.667 50 10 ACGE C#CC#CCN1C[C@](C)(CCl)C1=O 1954158888 GFOFVSNBHMIGEC-JTQLQIEISA-N 195.649 0.710 50 10 ACGE ClCCC#CCN=c1nccc[nH]1 2209153181 VOVVHQPZSXBXKA-UHFFFAOYSA-N 195.653 0.943 50 10 ACGE O=C1NCC[C@@H]1N[C@H]1C[C@H](Cl)C1 2241668439 SOVOQWYTTDOWRJ-ACZMJKKPSA-N 188.658 0.234 50 10 ACGE NC(=O)C1=CN(CCCl)C=CC1 1620677 JYLFZVQEIIVZGW-UHFFFAOYSA-N 186.642 0.814 50 10 ACGE CC(C)N(CCO)C(=O)CCCl 36134196 ZMOULMMVURDTLX-UHFFFAOYSA-N 193.674 0.845 50 10 ACGE O=C(CCl)NC[C@@H]1CCCOC1 38045203 BOMYJOCYHZMJMK-ZETCQYMHSA-N 191.658 0.768 50 10 ACGE CN(C(=O)NN)c1cccc(F)c1 50010710 SOPQFEXZFHKMRQ-UHFFFAOYSA-N 183.186 0.845 50 10 ACGE C[C@H](CCC(=O)NN)n1cccn1 82468458 LVKFXYZNUSEGGN-SSDOTTSWSA-N 182.227 0.214 50 10 ACGE NNC(=O)c1cn2cccc(F)c2n1 82695987 YBMIAHZCSRSBLD-UHFFFAOYSA-N 194.169 0.077 50 10 ACGE CCS[C@H](C)[C@@H](C)C(=O)NN 86313927 PCVQQXCQPJIRFY-PHDIDXHHSA-N 176.285 0.754 50 10 ACGE O=CC1=C[C@@H]2ON=C[C@@H]2C=C1 107324754 BPDLLSBPWQXKTH-YUMQZZPRSA-N 149.149 0.682 50 10 ACGE C/C(C=O)=C\C(C)(C)O 117106751 RGIBVXKPZFPOCX-GQCTYLIASA-N 128.171 0.903 50 10 ACGE N#C[C@H](O)[C@@H]1[C@@H]2C=CC[C@H]21 148070557 FLCDPARTYRMTGE-OOJXKGFFSA-N 135.166 0.693 50 10 ACGE CO[Si]1(C)C[C@@H](C)CN1CCN 195766874 LQYCLWLZOFYFOY-KBPLZSHQSA-N 188.347 0.615 50 10 ACGE CCN/C=C(/C#N)C(=O)N[C@@H](C)CC 216638303 FBRBRGXUEQRIKA-FZGDARCMSA-N 195.266 0.918 50 10 ACGE O=C=NC(=O)c1cnn2ccccc12 236413608 JANMITIJWIRSON-UHFFFAOYSA-N 187.158 0.810 50 10 ACGE Br[C@H]1[C@@H]2CN[C@H]1C2 238042508 GJIXTJGAOQODBR-YUPRTTJUSA-N 162.030 0.742 50 10 ACGE CC(C)N(C(=O)CCl)[C@H](C)O 238172152 JVXKKGAFWYXRCZ-LURJTMIESA-N 179.647 0.801 50 10 ACGE COC(=O)[C@@H]1O[C@@H]1[C@@H](C)Cl 238357088 QLSJMRIYXVWZOI-UOWFLXDJSA-N 164.588 0.554 50 10 ACGE C[C@@H]1CCC[C@H](/C=N/NC(N)=O)C1=O 238420540 OZHHBHDVCWHXTQ-MCEFIADZSA-N 197.238 0.646 50 10 ACGE O=S1(=O)C[C@H]2C[C@H](Cl)[C@@H]1C2 238537214 NMWQJJIMXKBALA-ZLUOBGJFSA-N 180.656 0.801 50 10 ACGE C=C(CCBr)C(N)=O 238616950 QTYYFLUBIHHAQA-UHFFFAOYSA-N 178.029 0.813 50 10 ACGE C=C(C=O)C[C@@H]1CCNC1 258208102 NWQONNWIZVQFCZ-QMMMGPOBSA-N 139.198 0.741 50 10 ACGE Cc1ccc([C@H](N)C(=O)N(C)N)cc1 259094679 PLBVVMVVKZWNAJ-VIFPVBQESA-N 193.250 0.327 50 10 ACGE [C-]#[N+][C@]12C[C@]3(/C=C/C(=O)O)O[C@@H]3[C@H]1O2 306384150 ZHGPZUHKCVXEJE-XYEXOTNWSA-N 193.158 0.183 50 10 ACGE NNC(=O)/C=C/c1cc[nH]c1 306413633 UAKWWKZGPPPPHF-OWOJBTEDSA-N 151.169 0.018 50 10 ACGE C/C(N)=C(\C#N)C(=O)NCC(C)C 306972927 WQLOJXFKUUHFCC-FPLPWBNLSA-N 181.239 0.515 50 10 ACGE CC[C@@H](N=C=S)C(N)=O 307059454 CDVXJCQVCXXACC-SCSAIBSYSA-N 144.199 0.353 50 10 ACGE CCC(=O)c1cccc(B(O)O)c1F 307214866 RXFXSDGSYUHSHF-UHFFFAOYSA-N 195.986 0.098 50 10 ACGE C[C@H]1CC[C@H](CN=C=O)O1 307721610 XAIVZNXRWYGZCB-NKWVEPMBSA-N 141.170 0.890 50 10 ACGE CC1=NO[C@@H](C(C)=NNC(N)=O)C1 307994288 VBPRNDFEHAUXPJ-ZCFIWIBFSA-N 184.199 0.195 50 10 ACGE CCC/C(N)=C(\C=O)C(=O)N(C)C 308031287 WMTVFZJVQBMXEH-FPLPWBNLSA-N 184.239 0.286 50 10 ACGE Cc1cn(/C=C\C#N)c(=O)nc1O 388309960 PIQQCMMAEBYNQR-RQOWECAXSA-N 177.163 0.252 50 10 ACGE C=C[C@H](C)O[C@H](CCC)C(=O)NN 706119341 QJHYPBADEPMZII-JGVFFNPUSA-N 186.255 0.736 50 10 ACGE C[C@@H]1C[C@@]1(C)C=NNC(N)=O 714697101 GZPVHEGSQMIWFQ-VDTYLAMSSA-N 155.201 0.687 50 10 ACGE C[C@H](O)C1CN(C[C@H](Cl)C#N)C1 719826536 DDYSCBOROCTJMV-POYBYMJQSA-N 188.658 0.430 50 10 ACGE O=C(CCF)NN=c1cc[nH]cc1 907258005 WFQFICMJGZOAHF-UHFFFAOYSA-N 183.186 0.306 50 10 ACGE NNC(=O)c1cccc2c1COCC2 1327598021 WZPZNJMCKPXKGT-UHFFFAOYSA-N 192.218 0.363 50 10 ACGE CCC(=CC#N)NCCN 1875408799 UTJWOMXSXWMWGL-UHFFFAOYSA-N 139.202 0.352 50 10 ACGE CN(C)C[C@@H]1C[C@H](Cl)CN1C 1880210409 HUJCAPJSDGNVKN-YUMQZZPRSA-N 176.691 0.860 50 10 ACGE O=C(F)N1CC=C(CO)CC1 1880315728 GNEDXELDULPDJH-UHFFFAOYSA-N 159.160 0.700 50 10 ACGE COC1(CF)CN(C(=O)F)C1 1880316441 MNZXSFXPGNVZRN-UHFFFAOYSA-N 165.139 0.746 50 10 ACGE CCN[C@H]1CCN(C(=O)F)C1 1880317188 UHHYWFUZOTZLGT-LURJTMIESA-N 160.192 0.760 50 10 ACGE CCOC[C@@H](O)CNC(=O)F 1880317480 YIDGWZZCYWNJBX-YFKPBYRVSA-N 165.164 0.063 50 10 ACGE O=C(F)NC[C@H]1COCCCO1 1881053526 QDPNTMOFDOJFRD-LURJTMIESA-N 177.175 0.471 50 10 ACGE O[C@H](CNC[C@H]1C[C@H]1Cl)C(F)F 1881372008 BLDRWBDELLZKRL-HSUXUTPPSA-N 199.628 0.829 50 10 ACGE NNC(=O)COC1CC2(CCC2)C1 1882378583 VGYBBYXYRSXTSJ-UHFFFAOYSA-N 184.239 0.326 50 10 ACGE CCCN(C(=O)F)[C@H]1CCNC1=O 1882789161 HVFAPZAPIGTDPI-LURJTMIESA-N 188.202 0.676 50 10 ACGE C=C(CN(CC)C1CCC1)B(O)O 1883734674 MXAXTTMOHFPWSL-UHFFFAOYSA-N 183.060 0.429 50 10 ACGE CC[C@@H]1CC[C@@H](CNC(=O)NN)O1 1883993157 DRHMIJCEWVFRLE-RQJHMYQMSA-N 187.243 0.117 50 10 ACGE O=C(F)OC1(c2ccccn2)CNC1 1887186885 TWYAEDBWWMMSQQ-UHFFFAOYSA-N 196.181 0.986 50 10 ACGE CC(C)=C(CN1CCCCC1)B(O)O 1888981112 RVKMDEHUROYWPQ-UHFFFAOYSA-N 197.087 0.821 50 10 ACGE C=C(C)CCN1CC[C@@](C)(B(O)O)C1 1891492086 MNFYQLBINOHDOB-SNVBAGLBSA-N 197.087 0.891 50 10 ACGE CC(C)C(=CC#N)NCCN 1911535293 HBNHVAQYYRBCFD-UHFFFAOYSA-N 153.229 0.598 50 10 ACGE Cn1nnnc1C=CCCCl 1927754397 KUOOWIYAMOBGDI-UHFFFAOYSA-N 172.619 0.852 50 10 ACGE C[Si](C)(C)O[C@@H]1COC[C@@H]1CN 1933414865 JZMLXLYQVOWTDL-JGVFFNPUSA-N 189.331 0.812 50 10 ACGE COC[C@@H](N)C=CC#N 1951602595 QPAFYPMLESFKFK-LURJTMIESA-N 126.159 0.040 50 10 ACGE C[C@H](Cl)C(=O)[C@]1(C)CCN1 1953156689 UHDUSVGEBNGNRP-FSPLSTOPSA-N 161.632 0.935 50 10 ACGE CC(=O)NC(=O)C[C@H](C)Cl 1953175425 FWSIJQMPVCIYBU-BYPYZUCNSA-N 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O=C1C[C@H]2CCC[C@H]2C(=O)O1 106841068 HKJZXEQZLMWWPE-PHDIDXHHSA-N 154.165 0.876 50 10 ACGE O=C=Nc1ccn2nnnc2c1 107456298 UZBVANCSUNSOEY-UHFFFAOYSA-N 161.124 0.092 50 10 ACGE CC[C@H](C)N1CC(=O)OC(=O)C1 108300437 NYPSVGWEJGCKCF-LURJTMIESA-N 171.196 0.170 50 10 ACGE C[C@@H](N=C=O)O[C@@H](C)N=C=O 113188389 OMDZMKYFUHYPDD-WDSKDSINSA-N 156.141 0.367 50 10 ACGE C[C@H]1C[C@](C#N)(N=C=O)CCO1 125270225 WAIHXFREQULZIV-JGVFFNPUSA-N 166.180 0.783 50 10 ACGE COCCOC[C@H](Cl)C#N 132627558 BABSLSDAXQZGKR-ZCFIWIBFSA-N 163.604 0.780 50 10 ACGE CC(C)[C@H]1CCN([C@@H](C)C(=O)NN)C1 134033809 NEJFWTOGSARPAM-IUCAKERBSA-N 199.298 0.343 50 10 ACGE CN(C(C)(C)CCl)S(C)(=O)=O 134176960 QVBCUANSZNZXSX-UHFFFAOYSA-N 199.703 0.895 50 10 ACGE O=S1(=O)CCC[C@@H]1Cl 149177582 IHRWSZFZVSTACR-SCSAIBSYSA-N 154.618 0.760 50 10 ACGE CNNC(=O)CCC(F)(F)F 150069787 CKKNIHXOLMGIED-UHFFFAOYSA-N 170.134 0.580 50 10 ACGE CC[C@@H](C)Oc1cccc(B(O)O)c1 197958041 UKHFDAQDNBNPSM-MRVPVSSYSA-N 194.039 0.544 50 10 ACGE OB(O)c1cc(Cl)cc(C2CC2)c1 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10 ACGE C[C@H]1C[C@@]1(F)COCCC(=O)NN 2209230060 YJFYUCPEOUTZHX-POYBYMJQSA-N 190.218 0.131 50 10 ACGE C=C(C)C(=O)N1CCC(B(O)O)CC1 2241742057 VBGKUOQUECQCFI-UHFFFAOYSA-N 197.043 0.028 50 10 ACGE N#C[C@H](N=C=O)[C@H]1[C@@H]2CCOC[C@@H]21 2297115020 PTBRDWFOIPOQAB-XGEHTFHBSA-N 178.191 0.497 50 10 ACGE O=C(F)N[C@H]1C[C@@H](CO)[C@H]2C[C@@H]12 2297160369 VSSKVEVKACPGGB-WNJXEPBRSA-N 173.187 0.682 50 10 ACGE CCNC=C(C#N)C(=O)N[C@@H](C)CC 2324658159 FBRBRGXUEQRIKA-QMMMGPOBSA-N 195.266 0.918 50 10 ACGE COC(=O)C(CCCl)C(=O)OC 34562690 PMFVADPCYUUUFR-UHFFFAOYSA-N 194.614 0.578 50 10 ACGE C[C@H]1CCC[C@H](NC(=O)NN)[C@@H]1C 34977836 AMGRRFBOVXVUND-RNJXMRFFSA-N 185.271 0.984 50 10 ACGE C[C@@H]1OCC=C1C=O 38522524 BGOFANUAEJXUJV-YFKPBYRVSA-N 112.128 0.530 50 10 ACGE O=CO[C@H]1COC[C@@H]1Cl 38915965 VPTVPYPPHQGXFU-WHFBIAKZSA-N 150.561 0.166 50 10 ACGE C[C@@H]1CC[C@H]1/C=N/NC(N)=O 71255819 ZKAUKJOMJKLUKQ-VCAUCJTASA-N 155.201 0.687 50 10 ACGE CCCCNN=C=O 71614086 XQOIXQPBLBKSFD-UHFFFAOYSA-N 114.148 0.627 50 10 ACGE O=CC1=C[C@@H]2C(CO)=CN[C@H]2C=C1 107335956 ZGHUUSRPDSKTPL-ZJUUUORDSA-N 177.203 0.146 50 10 ACGE O=CC1=C[C@H]2C=C(CO)N[C@@H]2C=C1 107335982 PFEMTKTZKLGGLN-WCBMZHEXSA-N 177.203 0.146 50 10 ACGE CC[C@](O)(C#N)COC 112543977 KCANRYPRMCLJEK-LURJTMIESA-N 129.159 0.297 50 10 ACGE COCCN(C)C[C@@H](O)CCl 156318032 RGEJTMQZJVKACL-ZETCQYMHSA-N 181.663 0.164 50 10 ACGE N#C/C=C\C=C/C=O 165516108 HJVZCMYPQMCKMW-CCAGOZQPSA-N 107.112 0.821 50 10 ACGE OB(O)/C=C/Cc1ccncc1 211661240 DUUWFIVAEAWMAK-ORCRQEGFSA-N 162.985 0.192 50 10 ACGE CCC[C@H](OCC1CC1)C(=O)NN 211718189 SSRDKVPMHGBEPT-QMMMGPOBSA-N 186.255 0.572 50 10 ACGE C[C@]1([C@H]2CCOC2)CC(=O)OC1=O 229660253 XGUNSNSIESGVRN-IMTBSYHQSA-N 184.191 0.503 50 10 ACGE C[C@H](CCl)NC(=O)C(F)F 232022648 PFAZBTJIWSKKQI-GSVOUGTGSA-N 171.574 0.995 50 10 ACGE CN(CCCl)Cc1cn(C)nn1 234267675 GQJNBAQURWXDKL-UHFFFAOYSA-N 188.662 0.486 50 10 ACGE CC(C)(C)c1ncc(F)cc1B(O)O 238132372 POEOONHQQZIRGJ-UHFFFAOYSA-N 197.018 0.198 50 10 ACGE Cc1ccc(C(C)C)c(B(O)O)c1O 238235708 IQJQNFKPIIWQMB-UHFFFAOYSA-N 194.039 0.504 50 10 ACGE CC[C@H](Cl)[C@H](O)C(C)=O 238277328 UIBHGWRIHIHMSF-NTSWFWBYSA-N 150.605 0.954 50 10 ACGE C[C@H]1OC(=O)C(=O)[C@@H]1Br 238485084 FXGKUWWLCFQIET-PWNYCUMCSA-N 192.996 0.264 50 10 ACGE C[C@@H]1C[C@H]([C@H](O)C#N)C[C@@H]1[C@H](O)C#N 306243675 MGJYUERXRNYDIF-SOYHJAILSA-N 194.234 0.418 50 10 ACGE CCC(=O)NNC(=O)C1CC=CC1 306293219 WOBGSKKDEHTIJM-UHFFFAOYSA-N 182.223 0.510 50 10 ACGE CCCN1CC[C@](O)(C#N)C1 306308757 OULNDLHKUVJXPW-QMMMGPOBSA-N 154.213 0.357 50 10 ACGE N#CC1=C(O)N(C2CC2)CC1=O 306487735 UJCPFRDGYTXOQR-UHFFFAOYSA-N 164.164 0.327 50 10 ACGE C[C@@H]1C/C(=N\NC(N)=O)[C@@H](C)[C@@]1(C)O 306838746 XPKOSLAUAHJOAZ-PTWHOSBLSA-N 199.254 0.438 50 10 ACGE C=CCN[C@H]1COC[C@@H]1Cl 307481883 QFJFEVLJJBIFHE-BQBZGAKWSA-N 161.632 0.768 50 10 ACGE COc1cc([C@H](O)C#N)sn1 307527495 KKYALHXQHTUYQF-SCSAIBSYSA-N 170.193 0.709 50 10 ACGE CC[C@H](N/C=C(\O)C=O)C(=O)O 307892702 SYXAFESDLZMVBB-LMXCLXGDSA-N 173.168 0.038 50 10 ACGE COCC1(NC(=O)[C@H](C)Cl)CC1 307968113 DQGXBQLEHIGCGG-LURJTMIESA-N 191.658 0.909 50 10 ACGE CCCC(=O)NNC(=O)[C@H]1C[C@@H]1C 308373640 REOZQFZCGQGFMH-BQBZGAKWSA-N 184.239 0.590 50 10 ACGE N#C/C(Cl)=C(/N)C[n+]1ccccc1 308460451 CZTLOKZMBQOFBL-HJWRWDBZSA-N 194.645 0.907 50 10 ACGE CSCCSCCC(=O)NN 319774865 WOHOMZOFYDCWSH-UHFFFAOYSA-N 194.325 0.463 50 10 ACGE Cc1ccc(C=NNC=O)[nH]1 382770836 LSDQHAXJIQLGLP-UHFFFAOYSA-N 151.169 0.403 50 10 ACGE CCc1ccc(C/C=C\B(O)O)nc1 393703507 KTVCSYAZSUULET-CLTKARDFSA-N 191.039 0.755 50 10 ACGE CC/C=C/C(=O)NNC(=O)OCC 393719737 ABOKXKCCKQOYAJ-AATRIKPKSA-N 186.211 0.730 50 10 ACGE OB(O)c1ccc(CCCCl)cc1 396100611 SXTNUZBNAMIYDL-UHFFFAOYSA-N 198.458 0.538 50 10 ACGE C[C@H]1C[C@@H](NC(=O)CCCl)CO1 402236675 WNDJBGYCWZGYQM-NKWVEPMBSA-N 191.658 0.909 50 10 ACGE NNC(=O)N[C@@H]1CCCSCC1 575459423 ILTCMMSCNZNGSR-ZCFIWIBFSA-N 189.284 0.445 50 10 ACGE N#C[C@@H](O)[C-]1N=C=C(Cl)S1 642815694 FRMDYJJIKQXTLA-GSVOUGTGSA-N 173.604 0.857 50 10 ACGE O=C=Nc1cccc([N+](=O)[O-])n1 687749680 SVYMXKRBYZBPMU-UHFFFAOYSA-N 165.108 0.957 50 10 ACGE CC[C@H]1CCCCN(CC(=O)NN)C1 703223480 VSKTXBCNEOLKPD-VIFPVBQESA-N 199.298 0.488 50 10 ACGE O=C1CN(C[C@H]2C=CCC2)CC(=O)O1 711764817 BTWQCLYTKOTBFD-QMMMGPOBSA-N 195.218 0.338 50 10 ACGE CN(CC1(C)CCC1)C(=O)NN 720837774 HBYRKFNXKLIEJR-UHFFFAOYSA-N 171.244 0.692 50 10 ACGE C[C@H]1C[C@H](N=C=O)CCS1(=O)=O 885543224 VWRHBPGXUYEZPV-NKWVEPMBSA-N 189.236 0.288 50 10 ACGE COC(=O)/C(C#N)=C1/C[C@@H]2COC[C@@H]12 885612601 RCKIREJKSKDDKI-GIHDBSOSSA-N 193.202 0.646 50 10 ACGE C=C/C=C/CC(=O)NNC(=O)N(C)C 1292257396 GTTKCTHHXDQOFB-AATRIKPKSA-N 197.238 0.421 50 10 ACGE CCO[C@H](C)C1CC(=O)OC(=O)C1 1535801308 RNTVPHSXSCAGEK-ZCFIWIBFSA-N 186.207 0.891 50 10 ACGE O=C1C[C@H](c2cccnc2F)C(=O)O1 1535863301 LUYHHSCXTAKSPJ-ZCFIWIBFSA-N 195.149 0.778 50 10 ACGE O=C(F)OC[C@H]1[C@H]2CNCC[C@H]21 1877950940 XPJASXPCHQFPML-DSYKOEDSSA-N 173.187 0.948 50 10 ACGE O=C(F)N1CCO[C@@H]2C[C@@H]21 1880056442 YMUSSHNBUYQAMF-CRCLSJGQSA-N 145.133 0.549 50 10 ACGE ClCC#CCN=c1nc[nH]s1 1880174021 KNKQOPGHSAMGID-UHFFFAOYSA-N 187.655 0.614 50 10 ACGE CC1(C)[C@H](N)CCN1C(=O)F 1880308973 CKWXMFBXKMQCEW-RXMQYKEDSA-N 160.192 0.888 50 10 ACGE CC1(C)C[C@H](NC(=O)F)[C@@H]1O 1880317293 VYRAHRHPSNDMLO-WHFBIAKZSA-N 161.176 0.825 50 10 ACGE C[C@@H](N)CN(C(=O)F)C1CC1 1880335849 MCZRUBAVCRPITQ-RXMQYKEDSA-N 160.192 0.888 50 10 ACGE CN(CC(=O)O)C[C@H]1C[C@@H]1Cl 1880436555 OXVUAGWJWBIFPZ-RITPCOANSA-N 177.631 0.630 50 10 ACGE C=C[C@H](CCl)NCC[S@](C)=O 1880503736 RTPFDUMQEFLYEO-HQJQHLMTSA-N 195.715 0.748 50 10 ACGE CC[C@H](Cl)C(=O)NC[C@@H](C)CO 1880640742 KYTAZWJGFDTLPT-RQJHMYQMSA-N 193.674 0.748 50 10 ACGE C#C[C@H](CCl)N=c1cccn[nH]1 1880675341 WFLZPKHQLISPNN-SSDOTTSWSA-N 181.626 0.551 50 10 ACGE C[C@H]1CN(C(=O)F)CC(=O)N1C 1881050781 DPZHTIKQEXSNHG-YFKPBYRVSA-N 174.175 0.238 50 10 ACGE COC(=O)C1(C)CN(C(=O)F)C1 1881053273 NDMMDCKRVXEOBL-UHFFFAOYSA-N 175.159 0.571 50 10 ACGE N[C@@H]1C[C@H]2C[C@H]1CN(C(=O)F)C2 1881053388 OKIPIECHOXSVIW-DSYKOEDSSA-N 172.203 0.745 50 10 ACGE CN1CCO[C@H](C(=O)CCCl)C1 1881056547 JPJFFMDFTSFWJU-QMMMGPOBSA-N 191.658 0.515 50 10 ACGE C#CCNC[C@@]1(CCl)CCCO1 1881254267 BZWLKXHUTVNMMN-VIFPVBQESA-N 187.670 0.997 50 10 ACGE C[C@@H]1CN(C(=O)F)C[C@H](CCN)O1 1882786852 GHESFRRWJJANLW-RQJHMYQMSA-N 190.218 0.514 50 10 ACGE O=C(F)O[C@@H]1CN[C@@]2(CCOC2)C1 1882790126 UGLXZUGEONCPSG-XPUUQOCRSA-N 189.186 0.614 50 10 ACGE CC[C@H]1C[C@@H]1CO[C@@H](C)C(=O)NN 1883898892 DTMODMSTYJNBBA-BIIVOSGPSA-N 186.255 0.428 50 10 ACGE O=C1C[C@]2(COC3(CCC3)C2)C(=O)O1 1885208260 JTZBQKTUCVJTMO-VIFPVBQESA-N 196.202 0.789 50 10 ACGE CN(CC(=O)NN)[C@H]1CC[C@H]2C[C@@H]1C2 1888035937 ZQGLXFNDQBCYGZ-YIZRAAEISA-N 197.282 0.097 50 10 ACGE Cc1ccnc(C)c1C=NNC(N)=O 1890061604 RQBRZKLLSLMXEY-UHFFFAOYSA-N 192.222 0.701 50 10 ACGE CCNC(=O)CN1CC=C(C#N)CC1 1917044522 IEMMWTGSQPJGCT-UHFFFAOYSA-N 193.250 0.278 50 10 ACGE O=C(CCl)Cn1ccnc1 1928620469 NADJWWTVDKSHJK-UHFFFAOYSA-N 158.588 0.691 50 10 ACGE COC1(OC)CC(CN=C=O)C1 1929082016 ZWRLLLOIYWICAQ-UHFFFAOYSA-N 171.196 0.721 50 10 ACGE NNC(=O)C1CC(C(F)(F)F)C1 1933653085 WWZLEFBFIHCVMY-UHFFFAOYSA-N 182.145 0.565 50 10 ACGE CN(C(=O)NN)C1CC2(CC2)C1 1934045933 KJFBOEMWCMRMHZ-UHFFFAOYSA-N 169.228 0.444 50 10 ACGE N#C[C@@H](O)CC1(CS)CC1 1951521151 CJUJTZIJXVCUOJ-LURJTMIESA-N 157.238 0.971 50 10 ACGE CN1C[C@H](Cl)[C@@H]2COC[C@H]21 1953158878 ZKYRXCQTYPWING-LYFYHCNISA-N 161.632 0.554 50 10 ACGE N#C[C@]1(O)COCCC1(F)F 1953221411 ODCZOCOJELZWTF-YFKPBYRVSA-N 163.123 0.297 50 10 ACGE C[C@@](O)(C#N)[C@@H]1CCCOC1 1953221796 UXYYPZCJBCOZNU-HTQZYQBOSA-N 155.197 0.688 50 10 ACGE C[C@H](Cl)[C@H](C)N=c1[nH]nco1 1953307633 ZWVDVLRVSUZWDF-WHFBIAKZSA-N 175.619 0.919 50 10 ACGE C[C@@H](Cl)C(=O)[C@@]1(N)CCCOC1 1953669754 VXYAHGGTLCUMCM-HTRCEHHLSA-N 191.658 0.691 50 10 ACGE C[C@@H](Cl)C(=O)N1CCO[C@H]2C[C@@H]21 1953695588 MGLJZGAWPYRYBA-VQVTYTSYSA-N 189.642 0.613 50 10 ACGE C[C@@]1(B(O)O)CCN(C(=O)F)C1 2297008689 NMMQHPYSVUXEKQ-ZCFIWIBFSA-N 174.968 0.015 50 10 ACGE CCCNNC(=O)c1cc(C)on1 2009223 QRIZXSMOTWKWCY-UHFFFAOYSA-N 183.211 0.627 50 10 ACGE CCC[C@@H](C)C(=O)NN 4799475 FVYIOYFXCYBUEU-RXMQYKEDSA-N 130.191 0.413 50 10 ACGE CC(C)CCN1C[C@@H](N=C=O)CC1=O 19732452 DVDFVMDINMSJQD-VIFPVBQESA-N 196.250 0.969 50 10 ACGE CO[C@@H]1C[C@H](Cl)[C@@H](O)[C@H](C)O1 34413961 MRHCEOZKNHRKQS-AXMZGBSTSA-N 180.631 0.736 50 10 ACGE ClCC[C@@H]1CNCCO1 34527033 HOVDXHISYCWZHN-ZCFIWIBFSA-N 149.621 0.604 50 10 ACGE CO[S@@](=O)CCCl 39245575 DXVLGOVMHHQZFV-ZETCQYMHSA-N 142.607 0.535 50 10 ACGE C[C@H](CCl)C(=O)NC[C@@H](C)O 54715423 LVFCQOOHPFHPMF-PHDIDXHHSA-N 179.647 0.358 50 10 ACGE CCCN(CCC)[C@@H](C)C(=O)NN 82466292 AZIURWSFENGRDK-QMMMGPOBSA-N 187.287 0.487 50 10 ACGE CC[C@H]1CCCN(CCC(=O)NN)C1 82467818 UQKBFPTXNSKDPS-VIFPVBQESA-N 199.298 0.488 50 10 ACGE CC(=O)[C@]1(C)OO[C@H](C)O1 100053174 ZRJOSKNHDXJRKF-RITPCOANSA-N 146.142 0.616 50 10 ACGE C[C@@H]1O[C@H](CCl)C[C@H]1O 104687230 CRBQMIVBQUJKDW-HCWXCVPCSA-N 150.605 0.764 50 10 ACGE COCCN/C(C)=C/C#N 104709153 AGRNHXPHXYHNLD-XVNBXDOJSA-N 140.186 0.650 50 10 ACGE O=COCOCCCl 104730965 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50 10 ACGE Cc1nccnc1CNC(=O)CCl 699359126 SHFORGPBFRHUPA-UHFFFAOYSA-N 199.641 0.640 50 10 ACGE C[C@@H](Cl)[C@@H](O)C[N+](=O)[O-] 702828824 RDUREQSZJDWLPV-DMTCNVIQSA-N 153.565 0.251 50 10 ACGE C[C@@H]1C[C@]1(C)CN(C)CCC(=O)NN 704072587 VBQUCOPMZZTKET-PSASIEDQSA-N 199.298 0.344 50 10 ACGE Cc1cn(C[C@H](C)C(=O)NN)c(C)n1 715071103 RRUSGQHLCGKYQJ-LURJTMIESA-N 196.254 0.126 50 10 ACGE CC[C@H]1CCN1C1=C(C#N)NC#CN1 885525870 MRWJWVVEGKRVRK-QMMMGPOBSA-N 188.234 0.275 50 10 ACGE OC[C@@H]1CN(CCCl)CC12CC2 885553920 SQRCKAUZVFPUGF-QMMMGPOBSA-N 189.686 0.930 50 10 ACGE C[C@@H]1C[C@H]1COCC1(C(=O)NN)CC1 1877781387 NCHYLMHQUQNPFE-SFYZADRCSA-N 198.266 0.429 50 10 ACGE NCC1CC([C@@H](N)CCl)C1 1880015643 HXRBYURKJDTAPZ-AHXFUIDQSA-N 162.664 0.537 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1CNC[C@H]1F 1880167555 PRNDYVKMTOPCDY-KVQBGUIXSA-N 179.622 0.740 50 10 ACGE C[C@H](CNC(=O)F)CN(C)C 1880312539 LDZJBQSZYBPGNG-ZCFIWIBFSA-N 162.208 0.863 50 10 ACGE C[C@H](C[S@@](C)=O)N(C)C(=O)F 1880317044 SAIPYBSBZZHQJT-BLTYZCFWSA-N 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50 10 ACGE N#C[C@H](O)CNc1ccccn1 238711055 NIRCXQUCVYAVFC-ZETCQYMHSA-N 163.180 0.378 50 10 ACGE C[C@@](O)(C#N)Cn1cccn1 260986457 ORLAQCXLCWGAGV-SSDOTTSWSA-N 151.169 0.158 50 10 ACGE CC1(C)CN(C(=O)NN)CCCO1 306161598 GOUKHVDTXYACHV-UHFFFAOYSA-N 187.243 0.071 50 10 ACGE OC[C@@H]1[C@H](CCl)[C@H]2C[C@H]1[C@@H]1O[C@@H]12 306477481 ATLPKNBVJLOADP-NZJLWHDDSA-N 188.654 0.867 50 10 ACGE COC1(/C=N/NC(N)=O)CCCCC1 306545343 VTBWCAMZTOCQHB-YRNVUSSQSA-N 199.254 0.990 50 10 ACGE C[C@H]1CN(S(C)(=O)=O)C[C@H]1Cl 306642867 VBUNFVCJMNBBBR-NTSWFWBYSA-N 197.687 0.505 50 10 ACGE CN(C)/C(C=O)=C/O 306845546 GUXWCBQJLIFYPF-HWKANZROSA-N 115.132 0.146 50 10 ACGE CN(N=C1CC2(CC2)C1)C(N)=O 307566731 OPEDIWJJHWQSPP-UHFFFAOYSA-N 167.212 0.927 50 10 ACGE C[C@@H]1C[C@H]2C[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 307614021 MNMYUIQDDJHUNG-OMKQZNDVSA-N 180.203 0.978 50 10 ACGE C[C@@H](O)[C@@H](C)NC(=O)CCCl 307647081 CHRIPDVZGBPOCJ-PHDIDXHHSA-N 179.647 0.501 50 10 ACGE CN(C/C=C/CCl)C(CO)CO 379313261 GEOHXZMWTUHIIM-NSCUHMNNSA-N 193.674 0.066 50 10 ACGE CCC(C#N)=N/C(C#N)=C(\N)C#N 383511009 LTCHUFWBXWQKML-LPHSUJBTSA-N 173.179 0.578 50 10 ACGE CN(C)/C=C(/C=O)C(=O)/C=C/N(C)C 383979318 VNUALBSVIRENHO-UQIVLYAPSA-N 196.250 0.275 50 10 ACGE C/C(CS/C=N/O)=N\NC(N)=O 387686565 UEBYLVILNHFFPL-FCXRPNKRSA-N 190.228 0.181 50 10 ACGE NCCN1CCCOC[C@H]1Cl 616644332 BRALSNJQQVHJPB-ZETCQYMHSA-N 178.663 0.232 50 10 ACGE O=C(N[C@H]1CCOC1=O)OCCl 692808151 HQBPYDAYLUMKRP-BYPYZUCNSA-N 193.586 0.224 50 10 ACGE CN(CC(=O)NN)C[C@]12CCC[C@H]1C2 693796184 RDHCXNMHXPCVBD-WCBMZHEXSA-N 197.282 0.098 50 10 ACGE [N-]=[N+]=Nc1ccc(B(O)O)cc1 706523276 OQZNOWMXHUVPQW-UHFFFAOYSA-N 162.945 0.308 50 10 ACGE CNNC(=O)[C@H](C)[C@@H]1CCCCO1 711901272 HWYLCYGFDMOERS-SFYZADRCSA-N 186.255 0.442 50 10 ACGE C=C[C@@H](CO)NC(=O)[C@@H](C)Cl 717497970 KAWDFUSUUIGNSY-RITPCOANSA-N 177.631 0.277 50 10 ACGE CC(C)=NNC(=O)c1cn[nH]c1 863155846 AQKPGLVVLLDZDG-UHFFFAOYSA-N 166.184 0.535 50 10 ACGE CN1N=C=C(C[C@@H](C#N)CCl)N1 885468234 WJGZVCHSIMBYJP-ZCFIWIBFSA-N 184.630 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O=C(F)N[C@]12CNC[C@H]1C2 1880055651 LTGFOQMHXWAQSQ-INEUFUBQSA-N 144.149 0.027 50 10 ACGE O=C(F)NC1(CCO)CC1 1880068485 XOXZGTAMUXJWJM-UHFFFAOYSA-N 147.149 0.581 50 10 ACGE O[C@@H]1CC[C@H]1NC1CC(Cl)C1 1880146531 SOOMDELWGCPJLQ-DWYQZRHDSA-N 175.659 0.869 50 10 ACGE Cn1[nH]c(=NC(=O)Cl)cc1F 1880285962 UKNAFWMTYHMCLN-UHFFFAOYSA-N 177.566 0.752 50 10 ACGE O=C(F)NC[C@H]1CCCNC1 1880309260 JFESLGOLDWAWEY-LURJTMIESA-N 160.192 0.665 50 10 ACGE N[C@@H](CCl)[C@@H]1CNC12CCC2 1880339531 QGSJGQICFXOILF-BQBZGAKWSA-N 174.675 0.695 50 10 ACGE C#CCCNC(=O)[C@H]1C[C@@H]1Cl 1880449336 CBTXOOFZVVMDHY-BQBZGAKWSA-N 171.627 0.753 50 10 ACGE NCC1(NC[C@@H]2C[C@H]2Cl)CC1 1880451844 YMVZDKSZTHWYIL-NKWVEPMBSA-N 174.675 0.695 50 10 ACGE C[C@]1(C[C@H](N)CCl)CCNC1 1880476539 DPKMSPXIPYGFSA-JGVFFNPUSA-N 176.691 0.942 50 10 ACGE O=C(N[C@H]1CC[C@H](O)C1)OCCl 1880706936 YXPZGPUCDUSGHI-WDSKDSINSA-N 193.630 0.822 50 10 ACGE CO[C@@H](CCl)[C@H]1CNCCOC1 1880729347 LJMHJAVQRNMIFA-YUMQZZPRSA-N 193.674 0.476 50 10 ACGE 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ACGE CC(F)(F)CCC(=O)NNCCO 1929834876 JLQVOHURMCBQEH-UHFFFAOYSA-N 196.197 0.035 50 10 ACGE NNC(=O)CCC1(N)CCCC1 1931015411 MYFHXSWZGLAFJE-UHFFFAOYSA-N 171.244 0.028 50 10 ACGE CC[C@H](CCNC(=O)NN)COC 1932148371 NYKLFAIKMBDXTI-SSDOTTSWSA-N 189.259 0.222 50 10 ACGE CCn1ccnc1C[C@H](O)C#N 1951474202 XHGBETXXXVBHDB-ZETCQYMHSA-N 165.196 0.330 50 10 ACGE O=C1C[C@H](Cc2cn[nH]c2)C(=O)O1 1952350097 LBXIPSIXCZOVFT-LURJTMIESA-N 180.163 0.042 50 10 ACGE C[C@@]1([C@@](C)(O)C#N)CCN1 1953197848 HUXLVSJIVYTZMF-BQBZGAKWSA-N 140.186 0.013 50 10 ACGE O=C=NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21 1953231117 CBBFABFUAHGCSW-QYNIQEEDSA-N 151.165 0.895 50 10 ACGE CCOC[C@H](N)C(=O)[C@@H](C)Cl 1953236642 IZXMLOOGEOYICK-RITPCOANSA-N 179.647 0.547 50 10 ACGE CC[C@@H](Cl)C(=O)N(C)CCO 1953257362 UBAJXDIHEMSMRQ-ZCFIWIBFSA-N 179.647 0.455 50 10 ACGE CC[C@@H](NC(=O)NN)C(C)(F)F 1953699362 DWTJJFIHKWASFX-SCSAIBSYSA-N 181.186 0.593 50 10 ACGE C[C@@H](O)CN(C)C(=O)C[C@@H](C)Cl 1953762514 FJJNNXHXZONCHT-RNFRBKRXSA-N 193.674 0.843 50 10 ACGE Cn1cnc2c(C(=O)NN)cccc21 1962718988 KJBXOPUZAHRGIX-UHFFFAOYSA-N 190.206 0.177 50 10 ACGE C[C@H]1C[C@]1(F)COCCC(=O)NN 2209230062 YJFYUCPEOUTZHX-XPUUQOCRSA-N 190.218 0.131 50 10 ACGE O=C1C[C@@H](NC[C@@H]2C[C@H]2Cl)CO1 2242591169 JKATVOOHPIEDTL-RRKCRQDMSA-N 189.642 0.519 50 10 ACGE S=C=NCCn1cccn1 2537924 WIKRKUOHBAKCGX-UHFFFAOYSA-N 153.210 0.986 50 10 ACGE CC(C)OC(=O)C(=O)CCl 39128109 RQOOVCWDDNTQMR-UHFFFAOYSA-N 164.588 0.746 50 10 ACGE C/C(=N\NC(=O)c1ccc[nH]1)C(=O)O 39250884 HWNPMAKCHIHJJG-BJMVGYQFSA-N 195.178 0.205 50 10 ACGE O[C@H]1CCN(CCBr)C1 61711411 DHJAXALIMLNACI-LURJTMIESA-N 194.072 0.448 50 10 ACGE O=C(O)C[C@H]1OCC[C@@H]1Cl 75546477 ZRCOEKHTUKBNTP-CRCLSJGQSA-N 164.588 0.857 50 10 ACGE COCC(=O)O/C=C/CCl 104685486 XNYITJYTVAMHCB-DUXPYHPUSA-N 164.588 0.929 50 10 ACGE COC[C@@H](CCl)OC(C)=O 104714873 KYQXJEOUFXTRCZ-ZCFIWIBFSA-N 166.604 0.803 50 10 ACGE O[C@]1(CCl)CCOC1 104722501 LNJIHEWICQLGJV-YFKPBYRVSA-N 136.578 0.377 50 10 ACGE C=C(C#N)N1CCN(C(C)=O)CC1 106868703 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ACGE CS(=O)(=O)NCCCCCCl 229235891 HYEIUPFGYYLWSH-UHFFFAOYSA-N 199.703 0.945 50 10 ACGE CCOC[C@@](C)(C#N)N=C=O 230083801 ZWBHWKAJTFPYGI-SSDOTTSWSA-N 154.169 0.641 50 10 ACGE CCONC(=O)[C@@H](C)Br 233768883 NMYGTMHESORSNX-SCSAIBSYSA-N 196.044 0.838 50 10 ACGE C=CCOC(=O)N1CC[C@H](N=C=O)C1 238077565 MPQNDRNTMMOEMK-QMMMGPOBSA-N 196.206 0.719 50 10 ACGE CC[C@H](C)[C@H](N=C=O)C(=O)NC 238268190 BEZXBJYETUQLNL-BQBZGAKWSA-N 170.212 0.483 50 10 ACGE C[C@H]1[C@H](Br)C(=O)N1C 238455461 SGEZXEHVZDOKFT-IMJSIDKUSA-N 178.029 0.610 50 10 ACGE O=CC1=CC=COC(=O)C1 238705171 YRMVUEMVXKKAIG-UHFFFAOYSA-N 138.122 0.572 50 10 ACGE [N-]=[N+]=N[C@H](O)CCl 238705342 DSNUEHKZIKFZKL-UWTATZPHSA-N 121.527 0.854 50 10 ACGE C[C@@H]1CN(C(=O)N=C=O)CO1 238804929 CFIWSWVLUOIXMS-RXMQYKEDSA-N 156.141 0.120 50 10 ACGE ClCc1cncnc1-n1cncn1 300977645 XXCQFKLYHPUETM-UHFFFAOYSA-N 195.613 0.796 50 10 ACGE O=C1[C@H]2CCC[C@@]2(O)[C@H]1Cl 306369870 DEJVCBHSSJGHLS-PIYBLCFFSA-N 160.600 0.708 50 10 ACGE C[C@@H]1/C(=N/NC(N)=O)CC[C@H]1C(=O)O 306815101 CWWVCTUSCXFDBL-JDCUMHOXSA-N 199.210 0.141 50 10 ACGE C/C(CN)=N/NC(=O)c1ccncc1 307139672 AUGYHNUNTJWZII-GHXNOFRVSA-N 192.222 0.146 50 10 ACGE C/C(Cc1cccnc1)=N\NC(N)=O 307367426 OLMHWSQEWAFUMH-KPKJPENVSA-N 192.222 0.668 50 10 ACGE O=CNN=C1CCSC1 307806382 HWFAMTZLJPAGFN-UHFFFAOYSA-N 144.199 0.225 50 10 ACGE Cc1nscc1C=NNC(N)=O 307868690 FAPSODQADSJJST-UHFFFAOYSA-N 184.224 0.454 50 10 ACGE O=C=NS(=O)(=O)CCC1CCC1 307969806 WHRNIJTXTZEWGQ-UHFFFAOYSA-N 189.236 0.842 50 10 ACGE Cn1ncc(/C=C\C(=O)O)c1N=C=O 308431908 FGHJYQFMAXZEOQ-IHWYPQMZSA-N 193.162 0.485 50 10 ACGE CO[C@@H](C)C=NNC(=O)NC1CC1 378862990 UQZOVPGYIZOFTQ-LURJTMIESA-N 185.227 0.469 50 10 ACGE C[C@@H](C(=O)NN)N(C)[C@H](C)C1(C)CC1 385753331 PUQVSQBRHATKFZ-JGVFFNPUSA-N 199.298 0.485 50 10 ACGE C/C=C(/C)C(=O)NNC(=O)OCC 388628946 ICIUYQZSZRHVMY-XQRVVYSFSA-N 186.211 0.730 50 10 ACGE C[C@@H](CNC(=O)NN)CC(F)(F)F 396922595 HARPAOYJJRARLQ-SCSAIBSYSA-N 199.176 0.748 50 10 ACGE Cn1nnc([C@@H](Cl)C#N)n1 575519684 RDZSZGKDAIFMAE-VKHMYHEASA-N 157.564 0.014 50 10 ACGE CN(N)C(=O)c1ccnc(F)c1 575594853 WQHPEMPYLPEZFX-UHFFFAOYSA-N 169.159 0.166 50 10 ACGE O=C=N/C=C/CCCO 687677290 FHWYFHONVKFAKL-DUXPYHPUSA-N 127.143 0.608 50 10 ACGE CN1CC[C@H](/C=C/CN=C=O)C1 687678627 PUEDSBPKQYVIHZ-HPOULIHZSA-N 166.224 0.830 50 10 ACGE COC(=O)C1=C=C(C=O)N(C)[C-]1C 885389415 ZALPKLZFTPIKPF-UHFFFAOYSA-N 180.183 0.265 50 10 ACGE N#CC(=C=N)/C=C1\C#CNN1C1CCC1 885895066 SCLWRJPUWKHQBH-IZZDOVSWSA-N 198.229 0.902 50 10 ACGE C=C/C=C/CC(=O)NN(C)C[C@H](C)O 1299011392 SDVCLOHZVCOFCP-CYNONHLPSA-N 198.266 0.463 50 10 ACGE CO[C@@H](C)[C@H](N)CBr 1615905312 AKRIUSUPAUVJBB-CRCLSJGQSA-N 182.061 0.744 50 10 ACGE CC[C@@](C)(N)C(=O)NC[C@H](C)Cl 1866113575 XAVPFJOVLDMZRN-POYBYMJQSA-N 192.690 0.857 50 10 ACGE CN(C)NC(=O)F 1879934221 RBGSCCKUSSWDLD-UHFFFAOYSA-N 106.100 0.142 50 10 ACGE CC(=CC#N)CCN 1879942454 QTOPGLZAOQWNAC-UHFFFAOYSA-N 110.160 0.805 50 10 ACGE O=C(F)NN1CCC1 1879943253 GABVDDFJVRWBGK-UHFFFAOYSA-N 118.111 0.286 50 10 ACGE C[C@H](N)[C@@H](C)[C@@H](N)CCl 1879967899 SBQFIEUZVGDABU-SRQIZXRXSA-N 150.653 0.536 50 10 ACGE CO[C@H](CCl)[C@@H]1CC[C@H]1N 1880023013 BRGQAARASVZKBF-FSDSQADBSA-N 163.648 0.978 50 10 ACGE C[S@](=O)CCNC[C@H]1C[C@@H]1Cl 1880434963 XEQYVWQMBDIYPW-BUYFANAVSA-N 195.715 0.582 50 10 ACGE C[C@H]1CNC[C@@H]1NC1CC(Cl)C1 1880576996 KRKONSTYZIXKCM-KRTGUUSXSA-N 188.702 0.954 50 10 ACGE N[C@H](CCl)[C@H]1CCN2CC[C@H]1C2 1880741244 HKTNDCOHRHGBIP-XHNCKOQMSA-N 188.702 0.894 50 10 ACGE CO[C@H]1C[C@@H](CN)N(C(=O)F)C1 1881053596 QVSGJEAITDGXNW-WDSKDSINSA-N 176.191 0.124 50 10 ACGE Cl[C@@H]1C[C@@H]1CNCCNC1CC1 1881391100 CKGFMCLDJRWGJC-VXNVDRBHSA-N 188.702 0.955 50 10 ACGE CCNCCNC(=O)[C@@H]1C[C@H]1Cl 1881392918 SFPBQRUAPKCALA-RNFRBKRXSA-N 190.674 0.339 50 10 ACGE CC1(C)OCCO[C@@H]1/C=C/C=O 1881409912 WKMYZCCJVLROQI-MPJRPATESA-N 170.208 0.936 50 10 ACGE O=C(F)N1CC[C@H]2OCCO[C@@H]2C1 1882790044 SOGLXGPZARUDBS-RNFRBKRXSA-N 189.186 0.566 50 10 ACGE CCCc1nc(C(=O)NNC)cs1 1882901163 YZCKCUHTBSSGGT-UHFFFAOYSA-N 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0.764 50 10 ACGE Cc1sccc1CNC(=O)NN 1930112104 XWZOOKNGPFQWOL-UHFFFAOYSA-N 185.252 0.729 50 10 ACGE COC1([C@H](C#N)N=C=O)CCOCC1 1931462198 YOVNGSNZZNVSFT-QMMMGPOBSA-N 196.206 0.410 50 10 ACGE C[C@]12C[C@H]1CN(C[C@@H](O)CCl)C2 1932147325 DAHMSIYRECWNOP-XHNCKOQMSA-N 189.686 0.928 50 10 ACGE CC[C@@H]1CCOC[C@]12CC(=O)OC2=O 1932286620 KWQYIHJBCFBZGQ-GMSGAONNSA-N 198.218 0.893 50 10 ACGE N#C[C@]1(O)CCCO[C@@]12CCOC2 1934085962 HIKSHRJOBZMOLU-RKDXNWHRSA-N 183.207 0.211 50 10 ACGE NC(=O)[C@H](Cl)[C@H]1C[C@]12CCOC2 1935052843 ZZKFORCBCHOKOD-JKMUOGBPSA-N 189.642 0.506 50 10 ACGE CN(N)C(=O)[C@]1(C)C[C@H]1C(F)(F)F 1935090383 RLEDJKATJUFKRM-INEUFUBQSA-N 196.172 0.907 50 10 ACGE COc1cncc([C@H](O)C#N)n1 1951506046 GHPZULOUCHJXHO-ZCFIWIBFSA-N 165.152 0.042 50 10 ACGE CC(C)(CO)C1CC(=O)OC(=O)C1 1951600266 JVFKTSOXRNAFFM-UHFFFAOYSA-N 186.207 0.485 50 10 ACGE COc1ccnc(C[C@H](O)C#N)c1 1951726214 UWHGLXPUIWEUAX-QMMMGPOBSA-N 178.191 0.517 50 10 ACGE N#C[C@H](O)[C@@H](N)C1CCCCC1 1952796552 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0.687 50 10 ACGE NC1=NC[C@@H](C(=O)Cl)CC1 34060571 PNMFBTFYIGCPRD-BYPYZUCNSA-N 160.604 0.519 50 10 ACGE CC(C)(C)OC(=O)N[N+](=O)[O-] 39094292 YIEOPOOTFFZEHU-UHFFFAOYSA-N 162.145 0.703 50 10 ACGE COC[C@@H](Br)C(C)=O 39214169 YFWLBCJQLWHEHK-RXMQYKEDSA-N 181.029 0.985 50 10 ACGE C[C@@H](CC(=O)NN)N1CCCCCC1 58840657 SUUNPGUEACBXDB-VIFPVBQESA-N 199.298 0.631 50 10 ACGE CCCCN/C(N)=C/C#N 75527206 MUOVFOXHQHFTQD-QPJJXVBHSA-N 139.202 0.700 50 10 ACGE CCC[C@@H](C)N(C)[C@@H](C)C(=O)NN 82467901 NQIVZJGJBKQNLN-SFYZADRCSA-N 187.287 0.485 50 10 ACGE C[C@H](CN(C)C[C@@H]1C[C@H]1C)C(=O)NN 82650841 DAWNNSMDJYHCKQ-HLTSFMKQSA-N 199.298 0.200 50 10 ACGE NC[C@H]1C=C(OC2CC2)C=C(C=O)N1 95737806 WNJGDWLXEZJEAG-SSDOTTSWSA-N 194.234 0.063 50 10 ACGE C#CC[S@@](=O)CCCl 104716979 UUPPNUALLCYHTD-QMMMGPOBSA-N 150.630 0.607 50 10 ACGE Cn1c(N=C=O)cn2ccnc12 107456391 RWFJKCHTXZXBAW-UHFFFAOYSA-N 162.152 0.640 50 10 ACGE C[C@@H](CC(=O)NN)N1C[C@H](C)C[C@@H]1C 158353505 ZVQZDTGZZHYQAN-VGMNWLOBSA-N 199.298 0.485 50 10 ACGE Cc1ccc2cccc(B(O)O)c2n1 203450685 QEEOOJSEVOSIFO-UHFFFAOYSA-N 187.007 0.223 50 10 ACGE CCc1ccc2[nH]c(B(O)O)cc2c1 225374895 TVSCUMJCSVAJFP-UHFFFAOYSA-N 189.023 0.410 50 10 ACGE CC(C)[C@@H](C)SCC(=O)NN 232734173 IMIOYJIGASTXNN-ZCFIWIBFSA-N 176.285 0.754 50 10 ACGE CC(C)C[C@H](N)C(=O)NNC(C)C 238189848 KUAPCNLNJJSAAM-QMMMGPOBSA-N 187.287 0.389 50 10 ACGE C[C@H]1C(=O)O[C@@]12O[C@@H]2CCCl 238437230 FBGUMUQLVWMCMY-BFHQHQDPSA-N 176.599 0.903 50 10 ACGE CNNC(=O)c1ccc(OC)c(C)c1 259050282 VEDIKZMFPJDASY-UHFFFAOYSA-N 194.234 0.868 50 10 ACGE CO[C@H]1C[C@@H](CCl)N(C(C)=O)C1 306239703 JTPTZIZPGDABJI-YUMQZZPRSA-N 191.658 0.861 50 10 ACGE C/C(=N\NC(=O)NN)C(C)C 306301493 MKJORKZBYSXTIC-WEVVVXLNSA-N 158.205 0.191 50 10 ACGE O[C@@H]1[C@H](Cl)C[C@@H](Cl)[C@@H]1O 306459676 JLHOIJDTNSPQNL-AIHAYLRMSA-N 171.023 0.327 50 10 ACGE O=[S@@]1CCCN(CCCl)CC1 306465781 IVIPZJVUIASDMK-LLVKDONJSA-N 195.715 0.680 50 10 ACGE C[C@@H]1CC[C@@H](O)CN1C(=O)CCl 306906092 LXYNQCLXZRZVDP-RNFRBKRXSA-N 191.658 0.597 50 10 ACGE 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0.206 50 10 ACGE CN(N)C(=O)C[C@H]1CC1(C)C 1930260723 BLWNIBCXSAVEHD-LURJTMIESA-N 156.229 0.755 50 10 ACGE CSSCCNC[C@@H]1CCN1 1930833786 IVQQUBSJICLXDT-ZETCQYMHSA-N 192.353 0.949 50 10 ACGE C[C@H](Cl)C(=O)NCc1ncno1 1932168629 CDUZIPQZBUSTAO-BYPYZUCNSA-N 189.602 0.313 50 10 ACGE C[C@H]1CCOC[C@@]12CC(=O)OC2=O 1932286615 KWOQGDBWVLCXFC-RCOVLWMOSA-N 184.191 0.503 50 10 ACGE C[C@]1(CO)CCN1C(=O)CCCl 1932957850 OIBXYJUQKMBDQM-MRVPVSSYSA-N 191.658 0.599 50 10 ACGE NC(=O)NN=C[C@H]1C=CCCC1 1935309931 JUHQOEMVFPNWFH-ZETCQYMHSA-N 167.212 0.997 50 10 ACGE CSCC[C@H](O)[C@H](O)CCl 1951667736 KKFKNHVFFXVASY-NTSWFWBYSA-N 184.688 0.700 50 10 ACGE C[S@@](=O)CCCCN=C=O 1953154147 LZNFTBUUKBDERE-SNVBAGLBSA-N 161.226 0.481 50 10 ACGE CC1(C)C[C@@H](CCB(O)O)CO1 1953494265 AOGBJEFGCLECHO-SSDOTTSWSA-N 172.033 0.664 50 10 ACGE O[C@@H](CCl)Cc1ncc(F)cn1 2208981368 BBBFUQOSDXAXBX-ZCFIWIBFSA-N 190.605 0.758 50 10 ACGE C[C@@H]1C[C@@H]1OC[C@H]1CC[C@@H]1C(=O)NN 2209907404 VHWCHPCTJFAEMG-HXFLIBJXSA-N 198.266 0.428 50 10 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180.211 0.580 50 10 ACGE O=C(CCl)NC(=O)NCCl 238491344 JYKPXPMMAYBWCZ-UHFFFAOYSA-N 185.010 0.247 50 10 ACGE Nc1cnc(CCl)nc1 238586835 VEOMXYOAIORPFZ-UHFFFAOYSA-N 143.577 0.798 50 10 ACGE Cc1ccc(COCC(=O)N(C)N)o1 258954855 FSQGVOSJKKVMQK-UHFFFAOYSA-N 198.222 0.437 50 10 ACGE C[C@H](C(=O)N(C)N)C1CCN(C)CC1 259070130 XZNMVYGXFXEKCI-QMMMGPOBSA-N 199.298 0.296 50 10 ACGE CCOC[C@H](Cl)CN 306409136 NYGQGONAECGUDN-RXMQYKEDSA-N 137.610 0.589 50 10 ACGE N#C/C=C/[C@@H]1O[C@@H]1C=O 306678049 AYRNXQAPCPLTAG-AUGZYCGMSA-N 123.111 0.032 50 10 ACGE C[C@@H](Cl)c1nnc(CN)o1 306763818 UZTIJPLEPKNVME-GSVOUGTGSA-N 161.592 0.828 50 10 ACGE Cc1n[nH]c(C)c1/C=N/NC(N)=O 306890292 YOQYGJCTXWNFLC-YCRREMRBSA-N 181.199 0.029 50 10 ACGE CC1=CC(=O)C=C/C1=N/NC(N)=O 306988278 AUQPAXLZLRKZMD-YFHOEESVSA-N 179.179 0.096 50 10 ACGE COC(CCl)=NC#N 307817130 LOYZXADBBZGKAV-UHFFFAOYSA-N 132.550 0.751 50 10 ACGE CCN(C)C(=O)NNC(=O)C1CC1 308175185 DBEHIATVWZBYQK-UHFFFAOYSA-N 185.227 0.089 50 10 ACGE C/C(N)=C(/C#N)c1csc(CO)n1 308265665 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50 10 ACGE C[C@]1(NC(=O)NN)C[C@@H]1C(F)(F)F 1954387544 XNSXUJUWJZDTJZ-UCORVYFPSA-N 197.160 0.500 50 10 ACGE COCC[C@@H](N)CNC(=O)F 2208949348 ILOQEUWXORZKJA-RXMQYKEDSA-N 164.180 0.029 50 10 ACGE O=C=NC[C@H](F)[C@@H]1CCOC1 2208974731 VREZPCVGJHGUSE-RQJHMYQMSA-N 159.160 0.697 50 10 ACGE C#CCN(OC)C(=O)[C@@H]1C[C@H]1Cl 2241804214 CJEDGILQUDZPLZ-RNFRBKRXSA-N 187.626 0.637 50 10 ACGE NCC#CCCNC(=O)F 2297009246 ULZXRAWVPFCPQU-UHFFFAOYSA-N 144.149 0.018 50 10 ACGE O=C(O)CC(=O)Cl 14679766 UUOFSRVHZJTWDE-UHFFFAOYSA-N 122.507 0.227 50 10 ACGE in-vitro N#C/C(N)=C(\C#N)N/C=N/C1CCC1 34076187 BNYWDGVGZTVQDE-HJWRWDBZSA-N 189.222 0.374 50 10 ACGE CC(=O)Nc1ccc(C(=O)NN)s1 36962889 HDHTWPWUDMPAPG-UHFFFAOYSA-N 199.235 0.310 50 10 ACGE C[C@@H]1C=CCC[C@@H]1C(=O)NN 39136543 FTXXMIRMQSNIIW-RQJHMYQMSA-N 154.213 0.579 50 10 ACGE NNC(=O)N1CCCSCC1 42445182 GMGXKBDSYMQYMR-UHFFFAOYSA-N 175.257 0.009 50 10 ACGE CC(C)[C@H](OC1CCC1)C(=O)NN 82465248 MLAYMOFLERPZDO-QMMMGPOBSA-N 186.255 0.570 50 10 ACGE C[C@@H]1CN(C(=O)C(Cl)Cl)CO1 100196283 QOLMMFIIGRMSAP-SCSAIBSYSA-N 198.049 0.995 50 10 ACGE CN1CCC[C@](C#N)(N=C=O)CC1 125190895 NVKUUWYTNVXGOU-VIFPVBQESA-N 179.223 0.700 50 10 ACGE Cn1ncnc1NC(=O)CCCl 127155512 UEGUWIOECKYXQJ-UHFFFAOYSA-N 188.618 0.383 50 10 ACGE N#C[C@H](Cl)Cn1cc(C(N)=O)cn1 132605546 KJEPYFBLQFTFPS-LURJTMIESA-N 198.613 0.113 50 10 ACGE N#C[C@]1(O)CCc2ncccc2C1 143698234 XGFWTXBCOKAAGY-JTQLQIEISA-N 174.203 0.825 50 10 ACGE CC(=O)CN1C(=O)CS/C1=C/C#N 208755109 XDBLIYRLSJCHKO-KRXBUXKQSA-N 196.231 0.516 50 10 ACGE CC(=O)/C(C=O)=C\C=C=O 211346597 WVDUARADEFLMDY-CLTKARDFSA-N 138.122 0.089 50 10 ACGE CCOC(=O)[C@@H](O)[C@@H](Cl)CC 220282868 YHQGYEDWWIDMSK-WDSKDSINSA-N 180.631 0.928 50 10 ACGE C[C@@H](CCl)NC(=O)c1cncnc1 229818375 JWZDRPUPLRWNHY-LURJTMIESA-N 199.641 0.834 50 10 ACGE C[C@H](CC[S@@](C)=O)N=C=O 230112467 CTPMPABRQBLXSV-LHLIQPBNSA-N 161.226 0.479 50 10 ACGE CCOC(=O)C[C@]1(CCl)CO1 238256015 DRONDOUJWLQULV-ZETCQYMHSA-N 178.615 0.947 50 10 ACGE CC[C@H]1NC(Cl)N[C@H](CC)N1 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129.184 0.724 50 10 ACGE CNC(=O)C/C(=C/C#N)CC(=O)OC 393676153 CRFBJYSJLNSKTP-CLTKARDFSA-N 196.206 0.136 50 10 ACGE CN1CCCn2nc(N=C=O)nc21 527024206 UUZWSAYTVDKUGC-UHFFFAOYSA-N 179.183 0.085 50 10 ACGE CN1CCCOC[C@@H]1Cl 616645732 AQFMRXFIKFDULX-ZCFIWIBFSA-N 149.621 0.903 50 10 ACGE O=C=Nc1ccnc([N+](=O)[O-])c1 687749694 ZPNIFTYWBFEQFZ-UHFFFAOYSA-N 165.108 0.957 50 10 ACGE CN(C)C1CN(C(=O)OCCl)C1 692831372 DAJAGSRZWBUZRA-UHFFFAOYSA-N 192.646 0.565 50 10 ACGE NNC(=O)C[C@@H]1CCC2(CCC2)O1 716890764 BVOYTEMOEOCKJO-ZETCQYMHSA-N 184.239 0.468 50 10 ACGE NC(=O)NN=C[C@]12CCC[C@@H]1OCC2 720163362 IABIOSCHSVFAHC-IONNQARKSA-N 197.238 0.600 50 10 ACGE CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H]1C 746510416 PSQHMELEMWRSFD-AIORQRFUSA-N 194.234 0.955 50 10 ACGE C#CC(=O)NNc1nccnc1Cl 1160817729 OWIJLZAAAICPPZ-UHFFFAOYSA-N 196.597 0.206 50 10 ACGE CNC[C@H](C)[C@@H](N)CBr 1879966105 BGXDMZTVSSAYDG-WDSKDSINSA-N 195.104 0.564 50 10 ACGE C[C@H]1NC[C@H]1[C@H](N)CCl 1879980321 TVPDYYGYHMFWJN-HSUXUTPPSA-N 148.637 0.160 50 10 ACGE C[C@H](CCO)N(C)C(=O)F 1880055014 DSIQMEXIWMOAMG-RXMQYKEDSA-N 149.165 0.779 50 10 ACGE NC(=O)[C@H](Cl)[C@H]1CCCS1 1880076348 BQIXQKLVXBJPPY-RFZPGFLSSA-N 179.672 0.975 50 10 ACGE C=C1CC(N)(C(=O)CCl)C1 1880101924 NHZSUTSNHOQDQN-UHFFFAOYSA-N 159.616 0.842 50 10 ACGE NCCCNC[C@@H]1C[C@H]1Cl 1880111824 IVIBHKIGUUMGIZ-NKWVEPMBSA-N 162.664 0.552 50 10 ACGE O=C(F)N[C@@H]1CCOC[C@@H]1F 1880316838 QDFZSIUYDXYFCH-CRCLSJGQSA-N 165.139 0.793 50 10 ACGE O=C(F)N[C@@H]1CCC[C@@H]1CO 1880317357 WTTAUDQMEQPXSK-PHDIDXHHSA-N 161.176 0.827 50 10 ACGE CO[C@@H]1C[C@@H]1CNOCCCl 1880349582 BJNAIESNJBZZMZ-RNFRBKRXSA-N 179.647 0.781 50 10 ACGE CO[C@H]1C[C@@H]1CNOCCCl 1880349583 BJNAIESNJBZZMZ-RQJHMYQMSA-N 179.647 0.781 50 10 ACGE ON=C1CN(C[C@H]2C[C@@H]2Cl)C1 1880435363 AVXTZCSOBLRTHS-VDTYLAMSSA-N 174.631 0.760 50 10 ACGE CN(C[C@@H](Cl)C#N)CC1(N)CC1 1880726722 OHOSKGHZULMIGK-ZETCQYMHSA-N 187.674 0.540 50 10 ACGE C[C@@H](CCCl)C(=O)NOCC#N 1880912910 XWHZOEOKVGDISL-LURJTMIESA-N 190.630 0.823 50 10 ACGE CO[C@@H]1C[C@H]1NC(=O)C[C@H](C)Cl 1881093877 JQZDSXDMOVJCNU-RRKCRQDMSA-N 191.658 0.907 50 10 ACGE NCC1CC(NC[C@@H]2C[C@H]2Cl)C1 1881374371 SCDQYKGSVVUEMP-GPCQJSLASA-N 188.702 0.941 50 10 ACGE O=C(Cl)C=CC(=O)N[C@@H]1C[C@@H]1F 1881389172 RVPLOQIWAKVZJQ-CRCLSJGQSA-N 191.589 0.535 50 10 ACGE O=C(F)OC1CN([C@@H]2CCNC2)C1 1882788659 AHCREOOLAKOACS-ZCFIWIBFSA-N 188.202 0.139 50 10 ACGE Cc1cc(=NC(=O)[C@H]2C[C@H]2Cl)[nH][nH]1 1883638343 FCCNUVFCWBOFOJ-NTSWFWBYSA-N 199.641 0.706 50 10 ACGE C#CCCCNC(=O)/C=C/C(=O)Cl 1883648819 HAPLSPUDCIPNES-AATRIKPKSA-N 199.637 0.838 50 10 ACGE O=C(F)N1CC[C@@]2(C[C@H](O)CO2)C1 1884008129 SHAOUQHPJSCJHS-POYBYMJQSA-N 189.186 0.302 50 10 ACGE CO[C@H](CCN)C(=O)[C@@H](C)Cl 1889872534 MMTHPCJWOLWFAT-PHDIDXHHSA-N 179.647 0.547 50 10 ACGE CN(CC1CC2(CC2)C1)C(=O)NN 1913794855 SKSYFTVKKFNTII-UHFFFAOYSA-N 183.255 0.692 50 10 ACGE NNC(=O)N1CC2(CCC2)C1 1914559779 ACCFYQBOKVDXRY-UHFFFAOYSA-N 155.201 0.056 50 10 ACGE C[C@H](CCl)CN[S@@](C)=O 1921672379 ZVKROMZHNJNNCU-MLUIRONXSA-N 169.677 0.744 50 10 ACGE O=C(CCO)NCC(Cl)Cl 1923195792 LPAGVYVLMTVPFL-UHFFFAOYSA-N 186.038 0.289 50 10 ACGE CCC[C@@H](C(=O)NN)N(C)OCC 1928678540 VVTAHCJLVNVMQN-ZETCQYMHSA-N 189.259 0.028 50 10 ACGE CN(C[C@@H]1CC1(F)F)C(=O)NN 1933033467 YJPCFJRHDKKPQL-BYPYZUCNSA-N 179.170 0.157 50 10 ACGE COCC[C@H](Br)CO 1951562302 WMKPHVPDJOBOBQ-YFKPBYRVSA-N 183.045 0.779 50 10 ACGE N#CC=CCCCN 1951603528 ZZJFRNURUXYFKR-UHFFFAOYSA-N 110.160 0.805 50 10 ACGE Cc1nc([C@H](N)[C@H](O)C#N)oc1C 1953061554 TZEXHRSLZNSHPK-RNFRBKRXSA-N 181.195 0.176 50 10 ACGE NC(=O)[C@@H](Cl)c1cnsn1 1953150318 LUBFAYSVUIASKH-VKHMYHEASA-N 177.616 0.303 50 10 ACGE C[C@]1(C(=O)CCl)COC[C@H]1N 1953232925 QSYOFEGWKHBXTL-VDTYLAMSSA-N 177.631 0.158 50 10 ACGE C=C1C[C@@H]1CNS(=O)(=O)CCl 1953249868 FFYBTXYQGJGBGV-ZCFIWIBFSA-N 195.671 0.678 50 10 ACGE CC[C@@H]1CCN(C(=O)NN)[C@H]1C 1953699181 BAHOMYFELODFQX-NKWVEPMBSA-N 171.244 0.690 50 10 ACGE CCC1(N(C)CCC(=O)NN)CC1 1953962220 PQVFERVKAAHZBW-UHFFFAOYSA-N 185.271 0.241 50 10 ACGE O[C@@H](CCl)CO[C@H]1C=CCOC1 2241690181 OJDONXZLPUFZGH-YUMQZZPRSA-N 192.642 0.558 50 10 ACGE CCC(=O)N(C)N=O 5458818 IGNJCDWJQZYOET-UHFFFAOYSA-N 116.120 0.536 50 10 ACGE N#CCN(CC#N)C(=O)CCCCl 19272476 OZQVNCYVLZAMGM-UHFFFAOYSA-N 199.641 0.881 50 10 ACGE CN(C)C(=O)[C@H](Cl)[C@@H]1CCOC1 50983548 QJCBALCKFUKEQA-RNFRBKRXSA-N 191.658 0.719 50 10 ACGE C[C@@H](I)CN 79745328 KNIYUKKFTIFSHV-GSVOUGTGSA-N 185.008 0.769 50 10 ACGE O=CC1=CN=C2N=CC=CN2C1 82405168 NLZDDTSQIKWRBD-UHFFFAOYSA-N 161.164 0.339 50 10 ACGE O=C1[C@H]2C[C@H]2C(=O)N1CCCl 82923905 BPPSQWXEQXWIMV-SYDPRGILSA-N 173.599 0.230 50 10 ACGE CC[C@@H]1CC[C@@H](NC(=O)NN)[C@@H]1C 83050246 PKYPFIWECLJKMS-BWZBUEFSSA-N 185.271 0.984 50 10 ACGE CCS(=O)(=O)NC[C@H](C)Cl 83211546 HSSQDLIZBAUZER-YFKPBYRVSA-N 185.676 0.553 50 10 ACGE O[C@H]1C=CC[C@@H](CCl)O1 104688468 MBHMTZKBEIYYJG-NTSWFWBYSA-N 148.589 0.889 50 10 ACGE Cc1cnc(CCl)c[n+]1[O-] 104711137 RKJHBPOTEKFHPX-UHFFFAOYSA-N 158.588 0.762 50 10 ACGE COc1cc(C)ccc1OC(=O)NN 107139190 MDJWWBUEGHFACE-UHFFFAOYSA-N 196.206 0.966 50 10 ACGE CC[C@H](O)[C@H](Cl)[N+](=O)[O-] 138245693 KCNHOOMTMPELKX-IUYQGCFVSA-N 153.565 0.599 50 10 ACGE C[C@@H](C=O)[C@@H](O)CCl 139192922 KIYHRDJWXFLDOD-WHFBIAKZSA-N 136.578 0.421 50 10 ACGE C=C(C#N)CN1CCC[C@H](C(N)=O)C1 146896535 RBGIYTIRMSNENQ-VIFPVBQESA-N 193.250 0.263 50 10 ACGE ClCc1nncn1[C@@H]1CCOC1 149981418 NIWVJCRPWFOBOB-ZCFIWIBFSA-N 187.630 0.978 50 10 ACGE CC[C@@H]1COC(=C(C#N)C#N)N1 168607982 ZCRZQYBDOQAPJT-SSDOTTSWSA-N 163.180 0.644 50 10 ACGE [N-]=[N+]=NCc1ccccc1B(O)O 196159500 IFFLMFXJZGJEKO-UHFFFAOYSA-N 176.972 0.177 50 10 ACGE O=C/C=C\CCO 199007506 IAVXSWDFIXCESX-UPHRSURJSA-N 100.117 0.124 50 10 ACGE C[C@H](Cl)CCc1nnn(C)n1 235465368 FKCAHWDXDHZNRR-YFKPBYRVSA-N 174.635 0.770 50 10 ACGE C[C@H]1OCC[C@@H]1S(=O)(=O)CCl 235611205 OJRNEVKKZBQCFS-RITPCOANSA-N 198.671 0.775 50 10 ACGE CCO[C@@]1(N=C=O)CO1 238277859 SEOZCOXYKUHOQS-YFKPBYRVSA-N 129.115 0.043 50 10 ACGE C[C@@]1(CCl)CO[C@@](C)(CO)O1 238491207 LZVHUMWPJSOWEC-RNFRBKRXSA-N 180.631 0.739 50 10 ACGE O=C1CCC(=O)N1SCCl 238493672 QJOHJNPYNLKYPO-UHFFFAOYSA-N 179.628 0.980 50 10 ACGE O=C1[C@@H](Cl)C[C@H]2C(=O)OC[C@@H]12 238548807 DLZFAJQMIGNWKP-WDCZJNDASA-N 174.583 0.356 50 10 ACGE NC1=N[C@@H](O)[C@H](Br)S1 238617892 NQHXQFPSTQFDIV-NCGGTJAESA-N 197.057 0.087 50 10 ACGE O=C1O[C@H](CCl)[C@@H]2C[C@@H](O)CN12 238719549 NFZMTYBJYBPHET-NGJCXOISSA-N 191.614 0.179 50 10 ACGE NC[C@@H]1CCOC[C@@H]1Br 238851197 FSVNRJSUFNTIKR-WDSKDSINSA-N 194.072 0.745 50 10 ACGE CC=NNC(=O)c1ccccn1 255991489 OAIJXVVJGFOCRJ-UHFFFAOYSA-N 163.180 0.817 50 10 ACGE CCCC[C@@H](C)C(=O)NNC(N)=O 300892329 HQTVNSNIQCAZDR-ZCFIWIBFSA-N 187.243 0.512 50 10 ACGE Cc1ncsc1C(=O)NN(C)C 306447262 VRFFZRZOWDWEKU-UHFFFAOYSA-N 185.252 0.658 50 10 ACGE C[C@@H]1NC(=O)[C@@H](C)[C@H](Cl)N1 306483977 QWYGORIIUWJIMH-VAYJURFESA-N 162.620 0.253 50 10 ACGE [N-]=[N+]=N[C@@H]1CS(=O)(=O)C[C@H]1Cl 306501512 CLJDWSIUJSHELR-QWWZWVQMSA-N 195.631 0.701 50 10 ACGE C[C@H](C(=O)NN)N1[C@H]2CCC[C@H]1CC2 306536274 HBMHWJNZUKECLN-VGMNWLOBSA-N 197.282 0.382 50 10 ACGE CCNC(=O)[C@H](Cl)COC 306635261 ZBYVMGDMWLIEAG-RXMQYKEDSA-N 165.620 0.376 50 10 ACGE CC(CCC1CC1)=NNC(=O)CO 379398041 FFCVHMAZSVNLFN-UHFFFAOYSA-N 184.239 0.661 50 10 ACGE C[C@]1(C=O)O[C@@H]1/C=C\C=O 383820060 GMNGDTIIMBQBCC-VZXHJCIISA-N 140.138 0.098 50 10 ACGE CCN([C@H](C)C(=O)NN)C(C)(C)C 394307575 WNLXHPIHWVUHBP-SSDOTTSWSA-N 187.287 0.485 50 10 ACGE NC(=O)[C@@H](Cl)[C@H]1CCCCO1 575460665 MGLAJMITGLCXEB-RITPCOANSA-N 177.631 0.648 50 10 ACGE CC1(C)C[C@H]1[C@H](O)C#N 606242114 FPPRLPQEJOGADB-NTSWFWBYSA-N 125.171 0.917 50 10 ACGE N#C[C@]1(O)CCC[C@H](N)C1 642878803 WVKOAXLFPBQQBU-BQBZGAKWSA-N 140.186 0.142 50 10 ACGE C[C@H](CNC(=O)NN)CC(F)F 697687570 MFKQFWOPNYEHJI-BYPYZUCNSA-N 181.186 0.451 50 10 ACGE CN(N)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 716887140 YHQIJXVFBHPLEY-FXQIFTODSA-N 168.240 0.755 50 10 ACGE COCCN(C)NC(=O)/C=C\C1CC1 819745202 TWPLGKIGPGOIAB-WAYWQWQTSA-N 198.266 0.562 50 10 ACGE CCCS(=O)(=O)N1CC(Cl)C1 1253666357 YVGZOEDXRONTNM-UHFFFAOYSA-N 197.687 0.649 50 10 ACGE CNC(C)(C)C[C@H](N)CCl 1880025371 MCHKZNCNBRRQMH-LURJTMIESA-N 164.680 0.941 50 10 ACGE N[C@@H]1C=CCN(C(=O)F)C1 1880055895 PUEFJCIRYIIAHP-RXMQYKEDSA-N 144.149 0.275 50 10 ACGE C[C@H](CNC(=O)F)N(C)C 1880064301 LMRDFLJYDIMMSH-RXMQYKEDSA-N 148.181 0.616 50 10 ACGE COCC(COC)[C@H](N)CCl 1880216706 PHRIAUUHSPSXDY-SSDOTTSWSA-N 181.663 0.462 50 10 ACGE CN(C[C@@H]1CCNC1)C(=O)F 1880312273 HLHNGRNVSYMJDE-ZCFIWIBFSA-N 160.192 0.617 50 10 ACGE N[C@H]1CCC[C@H](NC(=O)F)C1 1880316180 KMWFRPROLBQXTG-WDSKDSINSA-N 160.192 0.935 50 10 ACGE O=C(F)OC[C@@H]1COCCN1 1880316777 PPYBGGSYKCGHCK-YFKPBYRVSA-N 163.148 0.081 50 10 ACGE O=C(F)N1CCS[C@@H](CO)C1 1880317041 RZXDOVBRFCPHEF-RXMQYKEDSA-N 179.216 0.486 50 10 ACGE CC(C)(ONC(=O)F)C(=O)O 1880317548 ZJSMLFOSSUOWMO-UHFFFAOYSA-N 165.120 0.460 50 10 ACGE CC[C@H](O)CNC[C@H]1C[C@@H]1Cl 1880433024 AYJHEDSXFMYIDB-CSMHCCOUSA-N 177.675 0.974 50 10 ACGE O=C(F)NC[C@H]1[C@H]2CN[C@H]1C2 1880501734 PHYBZFIFMZFJAG-SRQIZXRXSA-N 158.176 0.273 50 10 ACGE C#CCN1CC[C@H](N=C=S)C1 1880505558 YOAQYFDHLZGHTJ-QMMMGPOBSA-N 166.249 0.797 50 10 ACGE CN(C)C[C@H]1CCN(C(=O)F)C1 1881052875 HSTOCDLRRDMQJQ-SSDOTTSWSA-N 174.219 0.959 50 10 ACGE CC1(C)CNC(=O)CN1C(=O)F 1881056028 YYGJGGSCQVDLCC-UHFFFAOYSA-N 174.175 0.286 50 10 ACGE C[C@H](O)C1CN(C[C@@H]2C[C@@H]2Cl)C1 1881365274 LQRFDQCYGSIFNP-ZKWXMUAHSA-N 189.686 0.926 50 10 ACGE O=C1[C@H]2C[C@H]2C(=O)N1C[C@@H]1C[C@@H]1Cl 1883568041 SZOAYDXCLZWDDE-YTLHQDLWSA-N 199.637 0.619 50 10 ACGE C[C@@H](Cl)CNC(=O)c1ncccn1 1893790378 HCGRVQKMKJUECY-ZCFIWIBFSA-N 199.641 0.834 50 10 ACGE C=C(CN1C[C@H](C)C[C@@H](C)C1)B(O)O 1895114800 XAUDHGIQQYNHPF-RKDXNWHRSA-N 197.087 0.533 50 10 ACGE CC(=O)C=CC#N 1912039867 NNKSQQOADOOAKK-UHFFFAOYSA-N 95.101 0.655 50 10 ACGE Cn1nncc1N1CC=C(C#N)CC1 1917089373 WLGMSVKCOYAVMQ-UHFFFAOYSA-N 189.222 0.475 50 10 ACGE CC(C)C1CC(C(=O)NN)C1 1921301116 WOLCEBRINDOBFQ-UHFFFAOYSA-N 156.229 0.659 50 10 ACGE CN(C)[C@@H]1COC[C@@H]1NC(=O)Cl 1921762183 DSAXTPPHXDHIJM-NTSWFWBYSA-N 192.646 0.264 50 10 ACGE O=C(CCn1ccnc1)N=C=S 1928831660 ZXJMCYRWUIYDRW-UHFFFAOYSA-N 181.220 0.903 50 10 ACGE CC#C[C@@H]1CS(=O)(=O)C[C@@H]1Cl 1934432811 AUJQDFOVDQEENL-RQJHMYQMSA-N 192.667 0.662 50 10 ACGE C[C@@H](Br)C(=O)CCN 1953128592 MSNVTJTVVXBRMR-SCSAIBSYSA-N 180.045 0.688 50 10 ACGE C[C@]1(C(=O)CBr)CCN1 1953139237 PIMINZUELCOTBN-ZCFIWIBFSA-N 192.056 0.702 50 10 ACGE CNCC(C)=C(C#N)C#N 1953163452 MLBZZTDWCXIGET-UHFFFAOYSA-N 135.170 0.569 50 10 ACGE O[C@@H](CCl)CN1CC=C(F)C1 1953287660 MNJNPSQMSUNWPJ-ZETCQYMHSA-N 179.622 0.755 50 10 ACGE CNNC(=O)CC(F)(F)C(F)F 1953365687 MGJXPNSKVAXPME-UHFFFAOYSA-N 188.124 0.528 50 10 ACGE CN(N)C(=O)[C@H]1C[C@@H]1C(C)(F)F 1953629187 QHVUTSDRXLCUFG-WHFBIAKZSA-N 178.182 0.610 50 10 ACGE ClC[C@@H]1C[C@H]1CN=c1[nH]nco1 1953757289 QOQIMBQZMMLUFM-WDSKDSINSA-N 187.630 0.778 50 10 ACGE CCN(CCO)C(=O)C[C@H](C)Cl 1953762062 BFEIZZYFYRAWRC-ZETCQYMHSA-N 193.674 0.845 50 10 ACGE CN(N)C(=O)[C@@H]1C[C@]1(C)C(F)(F)F 1954596389 JOCPPIMIMVFZST-NJGYIYPDSA-N 196.172 0.907 50 10 ACGE CC(C)(C)n1nnc(C=CC=O)n1 2052788853 PXCINPSZMWQPOP-UHFFFAOYSA-N 180.211 0.640 50 10 ACGE COC(=O)[C@@]1(CCl)CCOC1 2208976069 RWUZSSUWBIWXMF-SSDOTTSWSA-N 178.615 0.805 50 10 ACGE C#C[C@@H]1COCCN1C[C@H]1C[C@H]1Cl 2209318101 NGQLGRAQEQYBKB-OPRDCNLKSA-N 199.681 0.948 50 10 ACGE COC(=O)C(C#N)=C1C[C@H]2CC[C@H]1O2 2209829589 XBGOUZDUUDZHJU-HZGVNTEJSA-N 193.202 0.931 50 10 ACGE N#C[C@]1(O)CN[C@@H]2CCCC[C@H]2C1 2241262866 ASQNEFOZAYFRII-AEJSXWLSSA-N 180.251 0.793 50 10 ACGE NC(=O)Cc1nccc(CCl)n1 54793397 FUSKMLLJVRXARC-UHFFFAOYSA-N 185.614 0.243 50 10 ACGE CC(C)(O)[C@@H](Br)C(=O)O 62720424 YUHYWUHMZPSYIP-VKHMYHEASA-N 197.028 0.605 50 10 ACGE C[C@@H](C(=O)NN)N(C)CC1CCCC1 82493268 URWONJWDKBOYRI-QMMMGPOBSA-N 199.298 0.487 50 10 ACGE COc1ccc(F)c(CC(=O)NN)c1 84931760 MTEXLPBVCWGWEP-UHFFFAOYSA-N 198.197 0.367 50 10 ACGE CO[C@]1(C)C=C(C=O)C(F)=CN1 95933122 PFUUKEBYAKXSEL-MRVPVSSYSA-N 171.171 0.888 50 10 ACGE C[C@@H](CO)CCl 104689180 NQULNQFAEYXUJJ-SCSAIBSYSA-N 108.568 0.854 50 10 ACGE in-vitro CC1=C(C#N)C(=O)[C@@H](C)N1 104725872 PGBZDPIFFHYVMF-RXMQYKEDSA-N 136.154 0.345 50 10 ACGE [C-]#[N+]C[C@H]1CCCNC1 106562511 UXYNKUZZCCQXJU-SSDOTTSWSA-N 124.187 0.905 50 10 ACGE Cn1ccc(CN=C=O)n1 124853975 QXVFNNAADDBAME-UHFFFAOYSA-N 137.142 0.256 50 10 ACGE C[C@@H]1CCN(C(=O)CCl)[C@H]1CO 226926502 BESDTJJSASEPIC-RQJHMYQMSA-N 191.658 0.455 50 10 ACGE CC(=O)O[C@H]1OC[C@H](CCl)O1 238103345 HUULGQYLBPHCFQ-NTSWFWBYSA-N 180.587 0.487 50 10 ACGE O=C(Cl)N[C@@H]1CCSC1=O 238546180 OHVGHSJOLPMASN-GSVOUGTGSA-N 179.628 0.967 50 10 ACGE Nc1cc(F)c(C(=O)F)cn1 238679813 VXYRQGUVNGOLPP-UHFFFAOYSA-N 158.107 0.913 50 10 ACGE N#C[C@H](O)c1nc2c([nH]1)CCCO2 259611129 FXFRBUVSQLHEQY-LURJTMIESA-N 179.179 0.292 50 10 ACGE C[C@@H]1C[C@@H]1[C@@H](O)C#N 306230217 KKHYMELDNUUACB-SRQIZXRXSA-N 111.144 0.527 50 10 ACGE O=CNNC(=O)/C=C/c1ccsc1 306237675 IJKDKRHKLMZLEJ-OWOJBTEDSA-N 196.231 0.539 50 10 ACGE N#C/C=C1/CCC(=O)N1 306306869 QKHWXMPVQATKJM-HYXAFXHYSA-N 122.127 0.304 50 10 ACGE CC1(C)CO/C(=C\C#N)[C@H]1O 306435256 BEVCYCHNDTWPPX-FXHNIGACSA-N 153.181 0.811 50 10 ACGE O=C1/C(=N/O)CC[C@H]1Cl 306458843 CBXKZJWLYWFSDW-AMBGBCQPSA-N 147.561 0.787 50 10 ACGE C[C@@H]1CC[C@](O)(C#N)CN1 306873355 XIRGGZYZDKRQRT-RQJHMYQMSA-N 140.186 0.013 50 10 ACGE C[C@H](CN=C=S)c1nnn[nH]1 307250446 MAELXZANTXPYQT-SCSAIBSYSA-N 169.213 0.406 50 10 ACGE Cn1nncc1CN=C=S 307359936 FAABNCNTIGQPRE-UHFFFAOYSA-N 154.198 0.418 50 10 ACGE CCC[C@H](C)NC(=O)NNC(C)=O 308460325 HEGURVFHBVNYKF-LURJTMIESA-N 187.243 0.525 50 10 ACGE CC(=NNC(=O)NN)C(C)(C)C 318793075 QTJXLUDUCCJITE-UHFFFAOYSA-N 172.232 0.581 50 10 ACGE C=C[C@@H](C)C(C)=NNC(N)=O 383470862 BNVUEYXMLYXPNQ-RXMQYKEDSA-N 155.201 0.853 50 10 ACGE C[C@@H](CCl)CNCC[S@@](C)=O 400617173 NOCZCYGOUZIGHC-WRWORJQWSA-N 197.731 0.829 50 10 ACGE NNC(=O)NCc1ccc(Cl)o1 575530320 JIHXSKJNJPFVDA-UHFFFAOYSA-N 189.602 0.606 50 10 ACGE C[C@@]1(/C(N)=C/C#N)CCOC1 687413198 VPXVHIBXMGNTSK-VKWJFSHESA-N 152.197 0.779 50 10 ACGE CC[C@H](C(=O)NN)N1C[C@@H]2CC[C@H]2C1 688271457 JQFZFJQKHDYJQE-XHNCKOQMSA-N 197.282 0.097 50 10 ACGE CN(CCF)[C@@H]1COC[C@@H]1Cl 709100589 BCKDDWMUTHWEQU-NKWVEPMBSA-N 181.638 0.894 50 10 ACGE C[C@H](NC(=O)NN)c1ccns1 716413630 REPGUVDRDHASNF-BYPYZUCNSA-N 186.240 0.377 50 10 ACGE COCCN[C@](C)(CCl)COC 716808023 QSZAYCWWECBMKH-MRVPVSSYSA-N 195.690 0.866 50 10 ACGE CC(CCO)=NNC(=O)c1ccoc1 749855275 HDOVDPSYMNILPH-UHFFFAOYSA-N 196.206 0.768 50 10 ACGE CC(C)(CN=C=O)CC(=O)O 757186152 AXCZTPNRMBQRHA-UHFFFAOYSA-N 157.169 0.823 50 10 ACGE O=C=N[C@H](CCF)C(=O)O 757188195 MPAFPFJBSSHHPZ-SCSAIBSYSA-N 147.105 0.135 50 10 ACGE COC1=C=C(C(=O)Cl)ON1 885269525 JHEBMQOYLCVUAZ-UHFFFAOYSA-N 161.544 0.257 50 10 ACGE CC(C)/C(C=O)=C\C1=C=S=NN1 885412319 MLHJRWZEZNBCFP-CLTKARDFSA-N 182.248 0.837 50 10 ACGE CC1(C)CCN1C1=C(C#N)C#CNN1 885527541 RGZWFZRVOHUWBI-UHFFFAOYSA-N 188.234 0.275 50 10 ACGE CN(CC(F)F)C1=C=C=C(C#N)NN1 885890243 XVGQDCRDTBXQGM-UHFFFAOYSA-N 198.176 0.294 50 10 ACGE Cc1noc(C)c1[C@@H]1CC(=O)OC1=O 1535801271 HIKXWGNGOOTUAK-LURJTMIESA-N 195.174 0.849 50 10 ACGE N=c1nn[nH]n1C1CC(Cl)C1 1880145668 JFXHBWZJWFMEOO-UHFFFAOYSA-N 173.607 0.028 50 10 ACGE CCNCCNC[C@@H]1C[C@@H]1Cl 1880451041 RFPUNENLSMZCTL-YUMQZZPRSA-N 176.691 0.813 50 10 ACGE CN(CCO)CC1CC(Cl)C1 1880454978 DBISPNUAHONTFH-UHFFFAOYSA-N 177.675 0.928 50 10 ACGE O=C1N[C@@H]2CN(CCCl)C[C@@H]2O1 1880595587 MPJJWWUHEVTMHP-RITPCOANSA-N 190.630 0.018 50 10 ACGE N#CC=C1C[C@@H]2NCCO[C@H]2C1 1881019745 WUCAMKWFUJUAHT-IUCAKERBSA-N 164.208 0.587 50 10 ACGE C[C@H]1CO[C@@H](CN)CN1C(=O)F 1881054583 DIYJDXVBMUBTFM-WDSKDSINSA-N 176.191 0.124 50 10 ACGE O=C(F)N[C@@H]1CCNC12CCC2 1881055325 ONBHUGZOFGXUHK-ZCFIWIBFSA-N 172.203 0.950 50 10 ACGE COCCN=C(NN)[C@H]1C[C@@H]1Cl 1881390897 APTHVHBRQDOGKK-WDSKDSINSA-N 191.662 0.122 50 10 ACGE C[C@@H](N)CN(C)C(=O)[C@H]1C[C@@H]1Cl 1881392063 KZSXTVQVVYMMOD-VQVTYTSYSA-N 190.674 0.419 50 10 ACGE C#C[C@H](C)CNC(=O)[C@H]1C[C@H]1Cl 1881399381 DECXYVWDDCLKLL-BIIVOSGPSA-N 185.654 0.999 50 10 ACGE C=C(COC1CCCC1)B(O)O 1881438855 UQZRNJBVFSRXCR-UHFFFAOYSA-N 170.017 0.514 50 10 ACGE O=C(CCCl)[C@H]1Cc2nncn2C1 1882619393 IYNAIFXTSHMBJI-LURJTMIESA-N 199.641 0.648 50 10 ACGE NC[C@H]1CN(C(=O)F)C2(CC2)CO1 1882786361 AAAHDAZIJFZUFC-LURJTMIESA-N 188.202 0.268 50 10 ACGE NNC(=O)CN1CC[C@@H]2CCC[C@@H]2C1 1886457963 ACDLXCCOLZAOAN-DTWKUNHWSA-N 197.282 0.098 50 10 ACGE Nc1ccc([C@@H](O)CNC(=O)F)cc1 1887173078 HUAMXIUMWNMVKL-QMMMGPOBSA-N 198.197 0.981 50 10 ACGE CC#CCNCC(=O)[C@H](C)Cl 1887727057 JQXHQZNCDCUBRL-ZETCQYMHSA-N 173.643 0.796 50 10 ACGE CC(C)CCO[C@@H](C)CC(=O)NN 1888054952 OUQQPOAGRUCWKM-QMMMGPOBSA-N 188.271 0.818 50 10 ACGE C[C@H]1C[C@H](C)C1OCC(=O)NN 1888253732 MMBAFZLYAXXFOB-WDSKDSINSA-N 172.228 0.037 50 10 ACGE NC(=O)[C@@H]1CN(C(=O)F)CC12CC2 1892602960 MXHTTZORHCXXSU-YFKPBYRVSA-N 186.186 0.273 50 10 ACGE N#C[C@H](O)CCc1ccc(O)c(O)c1 1951462361 STKYDJUAAYHVPP-MRVPVSSYSA-N 193.202 0.915 50 10 ACGE O=C=NCc1cncc(Cl)n1 1951614065 ADVBAKZQZVTHAX-UHFFFAOYSA-N 169.571 0.966 50 10 ACGE Cc1ccc(C[C@@H](O)C#N)cn1 1951727281 ZJNGNSTVQQCUIK-SECBINFHSA-N 162.192 0.817 50 10 ACGE CC1([C@H](O)C#N)CCOCC1 1952356335 POVDVLIBUKOBJT-SSDOTTSWSA-N 155.197 0.688 50 10 ACGE N#C[C@@H](O)[C@H](N)Cc1ccccc1O 1952975934 NBMDWVWVAQJDJN-PSASIEDQSA-N 192.218 0.146 50 10 ACGE CC(C)[C@@H](N)C(=O)CBr 1953139583 SBCKOPUAACFFLZ-ZCFIWIBFSA-N 194.072 0.934 50 10 ACGE CNC(=O)[C@@H](Cl)c1cocn1 1953216356 YASFJCXABSIQSB-YFKPBYRVSA-N 174.587 0.701 50 10 ACGE C[C@H](CCN)N(C)C[C@H](Cl)C#N 1953771587 SKKPABORXVZYSI-HTQZYQBOSA-N 189.690 0.786 50 10 ACGE Cc1nc(C=C(C#N)C(=O)O)co1 1953892481 OQNZFRQSTSNJMN-UHFFFAOYSA-N 178.147 0.975 50 10 ACGE NC(=O)NNC(=O)[C@H]1CCC[C@@H]2C[C@H]12 1955193691 GDIZRWSMVBLBME-VQVTYTSYSA-N 197.238 0.122 50 10 ACGE CC[C@@H](C(=O)NN)N(C)C[C@@H]1C[C@H]1C 1955451586 FSNRBFSJXCCEEE-VGMNWLOBSA-N 199.298 0.343 50 10 ACGE O=C1CCC2(CN(CCCl)C2)N1 2209076663 YKIHPCXPWFFGMF-UHFFFAOYSA-N 188.658 0.190 50 10 ACGE CCN(CC)C[C@H]1CC[C@@H]1C(=O)NN 2209905997 DUVXGIOONJMKCB-BDAKNGLRSA-N 199.298 0.344 50 10 ACGE NNC(=O)CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 2210002189 KLHNUSMWUPFWGF-BRPSZJMVSA-N 198.266 0.572 50 10 ACGE Cc1cccc(C(=O)N(C)N)c1N 2241889929 CANVZBRROMGSAO-UHFFFAOYSA-N 179.223 0.523 50 10 ACGE COC(=O)[C@@H]1OCC[C@@H]1CCl 34075939 FDKUOKZUTNCFMV-PHDIDXHHSA-N 178.615 0.803 50 10 ACGE C[C@@H]1C=CCC[C@H]1C(=O)NN 39136545 FTXXMIRMQSNIIW-RNFRBKRXSA-N 154.213 0.579 50 10 ACGE CC(=O)N[C@H]1COCOC[C@H]1Cl 39233975 QBFCOEVCOIWCLB-RQJHMYQMSA-N 193.630 0.103 50 10 ACGE CC(C)(CCl)C(=O)NCCO 41697995 FMVFLBFDDGXQRY-UHFFFAOYSA-N 179.647 0.360 50 10 ACGE NC(=O)Cc1ncc(CCl)cn1 54857230 VVPXFDVXLRMBGQ-UHFFFAOYSA-N 185.614 0.243 50 10 ACGE C[C@H](CCl)CN1CC[C@H](O)C1 70067926 RNMYGZLAQGQCFL-SFYZADRCSA-N 177.675 0.928 50 10 ACGE NC(=O)CC(Cl)Cl 78762414 SPOICWGZCGRBDN-UHFFFAOYSA-N 141.985 0.666 50 10 ACGE NNC(=O)CSc1ccc(O)cc1 82472831 KJRDOCYVIDWXTI-UHFFFAOYSA-N 198.247 0.474 50 10 ACGE CC(C)[C@@H](CCl)NS(C)(=O)=O 86136087 XVOSSNMZZWKPBE-ZCFIWIBFSA-N 199.703 0.799 50 10 ACGE NCCCNCCCl 104638727 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163.180 0.084 50 10 ACGE C[C@@H](C(=O)NN)[C@H](O)c1ccccc1 306693982 SBIGRRWUDQQXQK-APPZFPTMSA-N 194.234 0.346 50 10 ACGE C[C@H](Cl)C(=O)N(C)CC#N 306972175 VSIFBOBVVCFMAH-YFKPBYRVSA-N 160.604 0.596 50 10 ACGE CCCN(O)C(=O)CCl 307075950 CPPKIFVYISUBMI-UHFFFAOYSA-N 151.593 0.853 50 10 ACGE Cl[C@@H]1[C@@H]2O[C@H]2C[C@H]2O[C@H]21 307414595 WBUABUNLIBTTLW-FPRJBGLDSA-N 146.573 0.532 50 10 ACGE CO[C@H]1COCC/C1=C\C#N 307628495 KJULRBJHGAABQF-RUIVOMMDSA-N 153.181 0.872 50 10 ACGE CC1=CCSCC1=NNC(N)=O 387712432 NBKDERPXWWTJDZ-UHFFFAOYSA-N 185.252 0.704 50 10 ACGE CN1C[C@H](N=C=O)CC1(C)C 575455951 TUBBLUBWIVMRBG-SSDOTTSWSA-N 154.213 0.805 50 10 ACGE CN(N)C(=O)N1CCCC1 606243690 TXWJOEGBCGVCRJ-UHFFFAOYSA-N 143.190 0.008 50 10 ACGE Cn1cnc([C@H](O)CCl)c1 606248019 YHRWSIPQMCVOJL-ZCFIWIBFSA-N 160.604 0.692 50 10 ACGE C[C@@H](Cl)C(=O)NN1CCCC1 606254549 ZSXLPZUBOSAFFZ-ZCFIWIBFSA-N 176.647 0.741 50 10 ACGE Cc1nccnc1/C=C(\C#N)C(=O)O 606262012 ZLHORSLLQAPGCK-QPJJXVBHSA-N 189.174 0.777 50 10 ACGE 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0.908 50 10 ACGE C[S@](=O)(CCN)=NC(=O)F 1880054785 BIGJVDPPMZLCMS-JTQLQIEISA-N 168.193 0.132 50 10 ACGE C[C@@H]1OCC[C@H]1[C@@H](Cl)C(N)=O 1880345740 GXDLLMDEOLTQQI-KVQBGUIXSA-N 177.631 0.504 50 10 ACGE CN(C(=O)NN)C1(C)CCC1 1880404046 CSRKFYJVHUFZMW-UHFFFAOYSA-N 157.217 0.444 50 10 ACGE Cc1nc(C(=O)CCl)n(C)n1 1880502332 ZBCDEXYPBIRCNM-UHFFFAOYSA-N 173.603 0.545 50 10 ACGE CC1(C)[C@H](O)[C@H](O)CN1CCCl 1880839758 DFHLAGLKRVOBCN-RNFRBKRXSA-N 193.674 0.041 50 10 ACGE CCN(CCOCCO)C(=O)F 1881051243 KMRFIGFVOJHVIX-UHFFFAOYSA-N 179.191 0.407 50 10 ACGE ClCCONC[C@H]1COCCO1 1881158890 JETBVMYVGCMGDL-ZETCQYMHSA-N 195.646 0.162 50 10 ACGE C#CC[C@@H]1CN(C(=O)F)CCO1 1881295728 OHOLLBAXACBBQT-SSDOTTSWSA-N 171.171 0.800 50 10 ACGE C[C@@H]1CNCCN1C[C@H]1C[C@H]1Cl 1881373758 OHRSSEGICHHZAO-IWSPIJDZSA-N 188.702 0.907 50 10 ACGE O=C(F)NC1CC(n2cncn2)C1 1882787127 IUKIHFANMVHZCK-UHFFFAOYSA-N 184.174 0.661 50 10 ACGE OCC=CCCl 1911647004 WVRLAHTVGOLBEB-UHFFFAOYSA-N 106.552 0.774 50 10 ACGE Cc1noc(C)c1C=CC(=O)NN 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0.495 50 10 ACGE O=CC[C@@H]1OCC[C@@H]1Cl 238528865 DYZZLSWUNNOGRJ-WDSKDSINSA-N 148.589 0.972 50 10 ACGE NC(=O)N/N=C/CCCCCCO 238599341 GKCYGOGCSTYKLN-UXBLZVDNSA-N 187.243 0.583 50 10 ACGE O=C1C(Cl)=C(O)[C@@H](O)[C@@H]1Cl 238719952 LPMDEELQXNLIAA-HDEYOGFKSA-N 182.990 0.546 50 10 ACGE COc1nc(/C=C/B(O)O)cs1 306239589 HAFUYZHLDAWNDO-NSCUHMNNSA-N 185.013 0.177 50 10 ACGE CNC[C@]1(CCl)CCOC1 306277835 ORJTUDDQIHQPMI-SSDOTTSWSA-N 163.648 0.851 50 10 ACGE CC1(C(=O)NNC=O)CCCC1 306293573 UXCSZOCVCORSBI-UHFFFAOYSA-N 170.212 0.344 50 10 ACGE C/C(C=O)=C1\CCOC1=O 306626915 IVIWIERVCSMOEA-WAYWQWQTSA-N 140.138 0.449 50 10 ACGE C[C@@H]1C[C@H](O)CN(C(=O)CCl)C1 306690244 OXPIQWQHSNMNSE-RQJHMYQMSA-N 191.658 0.455 50 10 ACGE OB(O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 306766912 XJRVYDYNGZEGRC-ZXFHETKHSA-N 161.944 0.505 50 10 ACGE CCNC(=O)N/N=C/C(C)C 307326241 UBLNACURSNPNDZ-WEVVVXLNSA-N 157.217 0.947 50 10 ACGE CC[C@]1(C)O[C@H](C)C/C1=N\NC(N)=O 307387953 NJFPASGFSQRISJ-RJIPHFOBSA-N 199.254 0.988 50 10 ACGE CO[C@H]1CNC[C@H]1CCl 307575513 KOLBGFZYYCXXOH-RITPCOANSA-N 149.621 0.460 50 10 ACGE CCC[C@@H](C)NC(=O)NNC(C)=O 308460328 HEGURVFHBVNYKF-ZCFIWIBFSA-N 187.243 0.525 50 10 ACGE CCC(CC)[C@@H](C#N)C(=O)NN 319778509 RPRPDJWADXGYCS-SSDOTTSWSA-N 169.228 0.552 50 10 ACGE C=CC[C@@H](CO)NC(=O)[C@H](C)Cl 320338850 AQUSSSQGHFYSDA-BQBZGAKWSA-N 191.658 0.667 50 10 ACGE COC(=O)C(=NO)C(=O)[C@H](F)Cl 384192219 WEAVTYMNFRKHSY-BYPYZUCNSA-N 197.549 0.093 50 10 ACGE CC(C)c1cnn(CCC(=O)NN)c1 401995223 ACVRPZZGNTXGGT-UHFFFAOYSA-N 196.254 0.387 50 10 ACGE NNC(=O)Cn1cc(C2CCC2)cn1 402071638 OEMMKRDARUOXBZ-UHFFFAOYSA-N 194.238 0.141 50 10 ACGE O=C(Cl)NC[C@H]1[C@@H]2COC[C@H]12 575456285 DZSXLQKESAFOKG-STNDOWJSSA-N 175.615 0.827 50 10 ACGE O=C(Cl)NCCn1cnnc1 575470905 KRUCDKVXGWUHJX-UHFFFAOYSA-N 174.591 0.227 50 10 ACGE O=C(CCl)N1CC[C@H]2C[C@H]21 575582281 DSQFBSDWVQOQFP-NTSWFWBYSA-N 159.616 0.846 50 10 ACGE O=C/C(=C/N1CCCCC1)[N+](=O)[O-] 686086822 KRGITMKNTNRAQN-VURMDHGXSA-N 184.195 0.789 50 10 ACGE C=CC[C@H](C=C)O[C@H](C)C(=O)NN 706713115 FBJRRRLYDFMUMT-SFYZADRCSA-N 184.239 0.512 50 10 ACGE NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]21 707905374 KTLYWRPRMYZCMO-GJMOJQLCSA-N 183.255 0.738 50 10 ACGE CC[C@@H](C)C1=NC(C=O)=C=C([O])N1 885199486 OAVBKTQNMRKQJK-ZCFIWIBFSA-N 179.199 0.988 50 10 ACGE C[C@H](F)Cn1nnnc1CCl 885364294 HZQDVSOIEIHIOK-BYPYZUCNSA-N 178.598 0.770 50 10 ACGE CC1=C([C@H](C#N)CCl)NNC#C1 885403180 BGSHTSLUPRWPOO-ZETCQYMHSA-N 181.626 0.708 50 10 ACGE O=CC1=C=S=C(C[C@@H]2CCCO2)N1 885854540 SYFMWFVFJZQDEX-QMMMGPOBSA-N 197.259 0.506 50 10 ACGE NNC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 1331412408 FZZFXNTVDLHMKM-QQGCVABSSA-N 181.239 0.204 50 10 ACGE N[C@H](CCl)[C@@H]1CC[C@@H]1N 1879966399 FGBIADFMZAJHDH-NGJCXOISSA-N 148.637 0.290 50 10 ACGE C[C@@H](O)[C@@H]1CCN1CCCl 1880038430 AXULFQNHEUHPQQ-RQJHMYQMSA-N 163.648 0.680 50 10 ACGE O=C(NC1CC1)[C@H]1C[C@@H]1Cl 1880099530 ZEYHZOHGEXYBFG-WDSKDSINSA-N 159.616 0.892 50 10 ACGE C[C@@H](CN)CNC1CC(Cl)C1 1880144989 BPTNHLHZFLNUBN-KKMMWDRVSA-N 176.691 0.941 50 10 ACGE O=C(CCl)N[C@H]1[C@H]2OCC[C@@H]21 1880145617 IVDMZVVWEJYJHL-QXRNQMCJSA-N 175.615 0.129 50 10 ACGE N[C@H](CCl)[C@@H]1CCN[C@@H]2C[C@@H]21 1880232922 OXKDPIQTFONCJT-WCTZXXKLSA-N 174.675 0.551 50 10 ACGE C[C@@H]1C[C@@H]1CCNC(=O)NN 1880383474 DRADACKTYZKYNH-RITPCOANSA-N 157.217 0.205 50 10 ACGE O=C(Cl)/C=C/C(=O)NCCCF 1881396458 XSTLOUCSOQIDEJ-NSCUHMNNSA-N 193.605 0.784 50 10 ACGE CCN[C@H]1CCOC[C@H]1NC(=O)F 1882790598 ZZUGDOCDOWAVON-NKWVEPMBSA-N 190.218 0.433 50 10 ACGE NNC(=O)Nc1ccc(CO)c(F)c1 1891140756 VZCVOARWCSZSSY-UHFFFAOYSA-N 199.185 0.313 50 10 ACGE N#C[C@H](N=C=S)[C@@H]1[C@@H]2COC[C@@H]21 1891338974 YCHUXCOBACCDSN-YWIQKCBGSA-N 180.232 0.874 50 10 ACGE CC[C@H]1CC[C@@H](N(C)CC(=O)NN)C1 1905563723 POYBMBMVATVJIN-DTWKUNHWSA-N 199.298 0.487 50 10 ACGE CONCC=C(C)C#N 1923407485 UTAHPUMSTNEWAP-UHFFFAOYSA-N 126.159 0.607 50 10 ACGE CN(C)NC(=O)[C@@]1(N)CCCC1(C)C 1930068125 APYLRAQLRICWSC-JTQLQIEISA-N 199.298 0.487 50 10 ACGE O[C@@H]1CN(CCCl)CC12CC2 1930241499 HARHRMNGURDJKC-SSDOTTSWSA-N 175.659 0.682 50 10 ACGE O=C(NC[C@H](O)CF)OCCl 1930549457 YDGLFRXLSFNNDK-SCSAIBSYSA-N 185.582 0.239 50 10 ACGE CC(C)OCC1(C(=O)NN)CC1 1931267247 RHRPTGOOPHRKIE-UHFFFAOYSA-N 172.228 0.182 50 10 ACGE Cn1ncnc1-c1cc(CCl)[nH]n1 1932753013 POLUGTURXWHWSO-UHFFFAOYSA-N 197.629 0.944 50 10 ACGE O=C(CCl)N[C@H]1C[C@H]1F 1951330767 HLWBRNCRGCCIFB-DMTCNVIQSA-N 151.568 0.452 50 10 ACGE COCC(C)(COC)[C@@H](O)C#N 1951369690 WBSQVKMUIWLOAE-ZETCQYMHSA-N 173.212 0.170 50 10 ACGE CO[C@@H](C(C)C)[C@H]1CC(=O)OC1=O 1951496122 OEWBEJVAOUSIQD-SVRRBLITSA-N 186.207 0.747 50 10 ACGE N#C[C@@H](O)c1ccncc1O 1951521273 DYEWEYRQEAUYKH-ZCFIWIBFSA-N 150.137 0.344 50 10 ACGE N#C[C@@H](O)[C@@H](N)COc1ccccc1 1952811900 CGGRISXOVANLQT-VHSXEESVSA-N 192.218 0.277 50 10 ACGE C=C1C[C@@H]1CB(O)O 1953128431 JSJBALMUJJKSBG-RXMQYKEDSA-N 111.937 0.035 50 10 ACGE C[C@@]1(C(=O)CCl)C[C@H](N)CCO1 1953453837 DKJJKCIIVLELDT-SVRRBLITSA-N 191.658 0.691 50 10 ACGE NNC(=O)[C@@H]1CC[C@@H]2[C@@H]1C2(F)F 1953460718 RTHVGNMUXCUXIA-UOWFLXDJSA-N 176.166 0.268 50 10 ACGE O[C@@H]1C[C@H]2C[C@H]1CN(CCCl)C2 1953596605 CIPUSLXAVSUALO-HRDYMLBCSA-N 189.686 0.928 50 10 ACGE CCCOC1(CNC(=O)NN)CC1 1953811799 CNBFUXCMFCCPBU-UHFFFAOYSA-N 187.243 0.119 50 10 ACGE CC[C@H](C)[C@@H](NC)C(=O)NN(C)C 1954252324 WGOUQEOEBSHVMI-JGVFFNPUSA-N 187.287 0.213 50 10 ACGE NNC(=O)NC[C@@H]1C[C@@H]1C(F)(F)F 1954450276 FOJKWWOABBRCIV-IMJSIDKUSA-N 197.160 0.358 50 10 ACGE COc1ccc(C)cc1[C@@H](N)B(O)O 1955173240 DRMZTBVYPANHGX-SECBINFHSA-N 195.027 0.015 50 10 ACGE CNNC(=O)c1ncoc1C1CCC1 1955506661 JURHJIUEDSCRIN-UHFFFAOYSA-N 195.222 0.806 50 10 ACGE Nc1ncnc2nnc(CCl)nc12 1560085 ZCXSBUMKSGCXBR-UHFFFAOYSA-N 196.601 0.136 50 10 ACGE CCC(=O)NCCC(=O)Cl 11895471 PBWOUCSOGHNNFV-UHFFFAOYSA-N 163.604 0.668 50 10 ACGE N=C1NC[C@@H](CCl)O1 16045075 ILLXLIKVXGHEOL-GSVOUGTGSA-N 134.566 0.148 50 10 ACGE C[C@H](N)C[C@H](Br)CCN 44397687 HBCKVOJMEQPBJH-NTSWFWBYSA-N 195.104 0.836 50 10 ACGE C[C@@H](N=C=O)[C@H]1CCCO1 62822031 RLLNYNXMMOYCHV-RNFRBKRXSA-N 141.170 0.890 50 10 ACGE NCCCN=C=S 81970499 WEZNJLQXYZZZKE-UHFFFAOYSA-N 116.189 0.438 50 10 ACGE CCN/C=C(\C)C=O 82226327 KFYMLEKGIIYGLE-GQCTYLIASA-N 113.160 0.699 50 10 ACGE C=C(/C=N/NC(N)=O)CC 104556767 QTOPLJBEAWUDQI-XBXARRHUSA-N 141.174 0.607 50 10 ACGE N#C/C(=C\N)c1cccnc1 104639987 WXTAZBXUAFUIPG-XBXARRHUSA-N 145.165 0.905 50 10 ACGE [C-]#[N+]Cc1ncncc1O 106563351 PWSPMADZPHIGJT-UHFFFAOYSA-N 135.126 0.601 50 10 ACGE CN[C@H](CCl)Cc1c[nH]cn1 115616523 RJUCKJHGEVNRIS-LURJTMIESA-N 173.647 0.779 50 10 ACGE C[C@H](C(=O)NN)[C@H](C)N(C)C1CCC1 127986786 LJCIZDLDLUDVSU-YUMQZZPRSA-N 199.298 0.485 50 10 ACGE Cn1cc([C@@H](O)CCl)cn1 133833244 TWELXLJLHRSXSS-LURJTMIESA-N 160.604 0.692 50 10 ACGE NS(=O)(=O)c1ccccc1N=C=O 139458567 FRVYBWYFANCWBN-UHFFFAOYSA-N 198.203 0.301 50 10 ACGE C[C@@](O)(CBr)[C@]1(C)CO1 196864894 PDRRWHKGSUUTFR-RITPCOANSA-N 195.056 0.921 50 10 ACGE CCOC(=O)N1C=C(C=O)C(=O)CC1 222014642 CYNNUSPMWPYOLK-UHFFFAOYSA-N 197.190 0.501 50 10 ACGE CO[C@@H]1CCCC/C1=N\NC(N)=O 224638952 KALGEXXLDHGYND-VSUWBIFXSA-N 185.227 0.600 50 10 ACGE C[C@H](CCl)NCc1cn(C)nn1 235460917 FCPLIYNJLFGSFY-ZCFIWIBFSA-N 188.662 0.532 50 10 ACGE CC[C@@H](N)[C@@H](O)C(Cl)Cl 238299665 ORODVIXPIVGEMP-QWWZWVQMSA-N 172.055 0.888 50 10 ACGE CNc1nc(N)nc([C@@H](F)Cl)n1 238351970 WZHKFGJTBQSPBA-UWTATZPHSA-N 191.597 0.702 50 10 ACGE N=C(CBr)NCC(=O)O 238606194 XQTZVIOUCRJESM-UHFFFAOYSA-N 195.016 0.033 50 10 ACGE OCC1CSSC1 238702793 FQABURFRZQDXHX-UHFFFAOYSA-N 136.241 0.990 50 10 ACGE N#CC1(O)CC(CF)C1 257817581 CIICYVBVHPMHHR-UHFFFAOYSA-N 129.134 0.621 50 10 ACGE Cc1cc([C@@H](C)[C@@H](O)C#N)n(C)n1 259922956 BKDDWRSKRFJOFM-APPZFPTMSA-N 179.223 0.717 50 10 ACGE COc1ccc([C@H](O)C#N)c(O)c1 260000580 FADLVEKXLQNMDQ-SECBINFHSA-N 179.175 0.958 50 10 ACGE NNC(=O)c1c(F)ccc(N)c1F 306269652 SSQRRONJNBWCKC-UHFFFAOYSA-N 187.149 0.151 50 10 ACGE CCN(O)C(=O)[C@H](C)Cl 306887029 QFUUJOMCGQEXJR-BYPYZUCNSA-N 151.593 0.851 50 10 ACGE CC1CC(C(=O)NN(C)C(N)=O)C1 306969897 SOAQCOGTCFQKES-UHFFFAOYSA-N 185.227 0.074 50 10 ACGE C[C@@H]1CC[C@@](C)(C#N)/C1=N\NC(N)=O 307084842 IYGYBMYIYJXOHW-OCISZJGISA-N 194.238 0.970 50 10 ACGE COC(=O)[C@@H]1CC[C@@H](O)[C@H]1CCl 307544947 JFMCEQWHYVHCIS-DSYKOEDSSA-N 192.642 0.785 50 10 ACGE O=C(OCCl)N1CCOC1 575469728 CFPNKRKGGPDHDY-UHFFFAOYSA-N 165.576 0.609 50 10 ACGE Cc1ccc(C(=O)N(C)N)c(O)c1 575564726 YMTNCADXFUATOY-UHFFFAOYSA-N 180.207 0.646 50 10 ACGE CO[C@@H]1CC[C@@H](C)N(C(=O)NN)C1 606258825 WEFPQEDXVQPTGS-RNFRBKRXSA-N 187.243 0.069 50 10 ACGE C[C@@H](Cl)c1cnc(C#N)c(N)[n+]1[O-] 687727657 CQUNLDWJGNOFKD-SCSAIBSYSA-N 198.613 0.469 50 10 ACGE C[C@H]1CCC[C@@H]1C(=O)N(C)N 707523561 TXLDSAGFFSTMSW-BQBZGAKWSA-N 156.229 0.755 50 10 ACGE O=C1C[C@H](c2ccon2)C(=O)O1 1535833462 PNEBOXJPPAHCPB-SCSAIBSYSA-N 167.120 0.232 50 10 ACGE O[C@H](CCl)c1cncnc1 1536196568 JTGOWTKGBPLFCE-ZCFIWIBFSA-N 158.588 0.749 50 10 ACGE NC[C@@H]1C[C@@H]1NC(=O)F 1879974546 ZANMDKHUGMAXOE-IMJSIDKUSA-N 132.138 0.013 50 10 ACGE C[C@H]1NC[C@H]1[C@@H](N)CBr 1879980218 QQGSRDHVLSDKRT-PBXRRBTRSA-N 193.088 0.317 50 10 ACGE O=C(O)CCCNC(=O)F 1880056220 VODIILDGLDOFGO-UHFFFAOYSA-N 149.121 0.530 50 10 ACGE C[C@@H](Cl)C(=O)N[C@H]1C[C@@H]1F 1880063350 FYJHTPMPMMNCCV-WISUUJSJSA-N 165.595 0.840 50 10 ACGE O=C=NC(=O)C1CC(Cl)C1 1880098837 OCJOPMLEKWENTB-UHFFFAOYSA-N 159.572 0.866 50 10 ACGE C[C@@H](N)[C@H](NC(=O)F)C1CC1 1880309314 JZQSBZPRMAEMQX-XINAWCOVSA-N 160.192 0.791 50 10 ACGE CC(=O)[C@H]1CCN(C(=O)F)C1 1880312380 JCWAUGWFJVLOOQ-LURJTMIESA-N 159.160 0.987 50 10 ACGE C[C@H](N)[C@H](C)NC[C@@H]1C[C@@H]1Cl 1880436205 LVIPIROJZOXAJB-XAMCCFCMSA-N 176.691 0.939 50 10 ACGE C[C@@H](CCl)NCC1CN(C)C1 1880477751 ZGKOTEXTVMLQJH-ZETCQYMHSA-N 176.691 0.765 50 10 ACGE CNCc1nc(NC(=O)F)n[nH]1 1881051515 OBIDXMIGKWLYTB-UHFFFAOYSA-N 173.151 0.026 50 10 ACGE O=C(F)NC[C@]1(F)CCCNC1 1881052309 ZEYKBBNIVHYPNQ-ZETCQYMHSA-N 178.182 0.757 50 10 ACGE C[C@@H](CCl)N(C)c1ncnn1C 1881157255 YFOSZSXBPDOMGG-LURJTMIESA-N 188.662 0.879 50 10 ACGE O=C(CCl)N[C@H]1C[C@]12CCOC2 1881455086 XSAKTYHWWTUQJD-XPUUQOCRSA-N 189.642 0.520 50 10 ACGE C=C(CO[C@H]1CC1(C)C)B(O)O 1881528946 MELVMYNYDWLVIB-ZETCQYMHSA-N 170.017 0.370 50 10 ACGE C#C[C@@H](CCl)N=c1cc(C)cn[nH]1 1881940045 BLTPJVPBMGRFHZ-QMMMGPOBSA-N 195.653 0.859 50 10 ACGE CN(N)C(=O)[C@@]12CC[C@@](C)(C1)OC2 1882098189 RCXACLLZUCCIER-IUCAKERBSA-N 184.239 0.278 50 10 ACGE NNC(=O)C(F)(F)CCOC1CC1 1882118422 QEIUHIICROAMJX-UHFFFAOYSA-N 194.181 0.181 50 10 ACGE CCC(C)(C)CO[C@H](C)C(=O)NN 1882384128 DJLUHSLYPAONBG-SSDOTTSWSA-N 188.271 0.818 50 10 ACGE O=C(F)N1CCO[C@@]2(CCOC2)C1 1882788155 UBLZUICBRLATNF-QMMMGPOBSA-N 189.186 0.567 50 10 ACGE O=C(Cl)/C=C/C(=O)N1CC2(CC2)C1 1883646797 DMUFYNIALGQMMO-OWOJBTEDSA-N 199.637 0.930 50 10 ACGE CC(C)(C)n1cc(CN=C=O)nn1 1883909916 HLBIDDNHEPAXBN-UHFFFAOYSA-N 180.211 0.869 50 10 ACGE NC(=O)NN=C1CC(n2ccnc2)C1 1885763533 OFXOFSOONSALHT-UHFFFAOYSA-N 193.210 0.242 50 10 ACGE C[C@@H]1Cc2ccccc2[C@@]1(N)B(O)O 1886596320 DPCFKYXMFUGLBV-GMSGAONNSA-N 191.039 0.045 50 10 ACGE CC(C)=C(CO[C@H]1C[C@H]1C)B(O)O 1888981032 QRUNNYWKXSEGQQ-APPZFPTMSA-N 184.044 0.760 50 10 ACGE CC[C@@H](C)CN1CC[C@@](C)(B(O)O)C1 1891491925 LOFNCOUXBKWPGB-NXEZZACHSA-N 199.103 0.971 50 10 ACGE C=C(C)CC(=O)N1CC[C@H](B(O)O)C1 1891516002 COFVFHUCDQXULK-QMMMGPOBSA-N 197.043 0.028 50 10 ACGE O=C=NCc1cnn(CC(F)F)c1 1891924496 CDNVUPRGEYMAMW-UHFFFAOYSA-N 187.149 0.984 50 10 ACGE C=C(CN(C)CC1[C@@H]2CC[C@@H]12)B(O)O 1895190249 CHYKPJQPQNJXFW-RKDXNWHRSA-N 195.071 0.142 50 10 ACGE CO[C@@H]1C(=NNC(N)=O)CC12CCC2 1906304458 PJFDFNLMBVXBDI-SSDOTTSWSA-N 197.238 0.600 50 10 ACGE C[C@H](Cl)C(=O)N1C[C@@](C)(O)CO1 1930276669 GHWDEBPGFBVHCY-CAHLUQPWSA-N 193.630 0.139 50 10 ACGE CCSCC1(C(=O)NN)CC1 1931266941 MFPXVTRWDQAXSC-UHFFFAOYSA-N 174.269 0.510 50 10 ACGE CN1CC2CC1(CN=C=O)C2 1931840323 LUZPWGAXCZOYAP-UHFFFAOYSA-N 152.197 0.416 50 10 ACGE C[C@H]1C[C@@H]1OCCCCC(=O)NN 1932206231 ROYNJYNQAYSTEM-YUMQZZPRSA-N 186.255 0.572 50 10 ACGE CNNC(=O)CCc1ccc(O)cc1 1932443975 DPJWLBIPKMKMSM-UHFFFAOYSA-N 194.234 0.575 50 10 ACGE CCC[C@H]1CCC[C@@]1(N)B(O)O 1932515281 PKRZDRCHIAPVSD-YUMQZZPRSA-N 171.049 0.296 50 10 ACGE CC(C)(O)C[C@H](O)CBr 1952365326 POGGHBDRMVUGSN-YFKPBYRVSA-N 197.072 0.903 50 10 ACGE CC1([C@H](N)[C@H](O)C#N)CCOCC1 1953059368 QTSLIOYIAFOSEC-HTQZYQBOSA-N 184.239 0.015 50 10 ACGE CO[C@@H]1C[C@H]2C[C@H]1C[C@]2(O)C#N 1953468081 UCHCCPBZZUSHAW-KDXUFGMBSA-N 167.208 0.686 50 10 ACGE CO[C@H]1C[C@H]2C[C@H]1C[C@]2(O)C#N 1953468082 UCHCCPBZZUSHAW-KZVJFYERSA-N 167.208 0.686 50 10 ACGE CNNC(=O)[C@@H](C)OCC(C)C 1953662483 SDYVYQVGKMUQFI-SSDOTTSWSA-N 174.244 0.298 50 10 ACGE N#C[C@@H](Cl)CN1CCC[C@@H](N)C1 1953770665 LCSQZQLFDOUUQN-HTQZYQBOSA-N 187.674 0.540 50 10 ACGE N#C[C@H](N=C=O)[C@@H]1C[C@H]2CC[C@H]1O2 1953920156 GEQVDGINVFFQHP-RYPBNFRJSA-N 178.191 0.782 50 10 ACGE N#CC(C#N)=C1[C@H]2CC[C@H]1CNC2 1954468561 SXMSKDSSWVSCCZ-YUMQZZPRSA-N 173.219 0.960 50 10 ACGE CC[C@H]1CC[C@@H]1N(C)CCC(=O)NN 1955757443 LDCIKHSCZBWUTB-IUCAKERBSA-N 199.298 0.487 50 10 ACGE Cc1cc(B(O)O)cc(Cl)c1C#N 2060103218 SDLAROPUOBEWMN-UHFFFAOYSA-N 195.414 0.200 50 10 ACGE CON(C)CCNC(=O)F 2208923465 XGCQGWXTXGMBBU-UHFFFAOYSA-N 150.153 0.159 50 10 ACGE CCn1cnnc1C[C@H](O)CCl 2209062766 NGYZAHVUEYFRLT-LURJTMIESA-N 189.646 0.440 50 10 ACGE Cn1cc[nH]c1=NCC#CCCCl 2209153482 YHROHNSYKWEWMJ-UHFFFAOYSA-N 197.669 0.886 50 10 ACGE CCC=CCCO[C@@H](C)C(=O)NN 2209307942 MOPUCVLEIJCTOX-QMMMGPOBSA-N 186.255 0.738 50 10 ACGE C=CCCNC(=O)C1(B(O)O)CCC1 2241471181 GXFFDWQWZXDQEB-UHFFFAOYSA-N 197.043 0.076 50 10 ACGE C=C(CNC[C@@H](CCl)OC)OC 2242452676 OGSKPSYDRRHNLN-MRVPVSSYSA-N 193.674 0.990 50 10 ACGE CCCC(=O)NNC(=S)NCC 6851155 SLQJFZKYDAGLNQ-UHFFFAOYSA-N 189.284 0.302 50 10 ACGE O=C1C[C@@H]2[C@@H](CCl)OC(=O)N2C1 34480180 HPYRZXADAXPTSH-PHDIDXHHSA-N 189.598 0.387 50 10 ACGE C[C@@H]1C[C@@H](C)CN(C(=O)NN)C1 36948244 JEVMWRPGFIKMSD-RNFRBKRXSA-N 171.244 0.548 50 10 ACGE CCCN(CC)C(=O)NN 37095425 ITTZSMNLWUYPRB-UHFFFAOYSA-N 145.206 0.302 50 10 ACGE COC(=O)/C=C/[C@H](O)[C@H](C)Cl 38251370 PTJDPZNWBVCKDD-WFYOFFIASA-N 178.615 0.704 50 10 ACGE NC(=O)N/N=C/c1ccc(F)c(F)c1 38672655 BANOOCMUMXWWHP-UUILKARUSA-N 199.160 0.967 50 10 ACGE C[C@@H](O)CN(C)CCBr 51839657 CPUCUNVYHPDWKR-ZCFIWIBFSA-N 196.088 0.694 50 10 ACGE COC(=O)N/N=C(\C)CC(=O)O 96330775 RTNHLGRFGAHKBY-QPJJXVBHSA-N 174.156 0.193 50 10 ACGE O=C(O)[C@H](Cl)COCCCO 132920376 KGHVXGXGEDSTNL-RXMQYKEDSA-N 182.603 0.077 50 10 ACGE N#C[C@]1(O)CCC[C@H]1C(=O)O 143093713 IGOJENWGCOBCRQ-CAHLUQPWSA-N 155.153 0.126 50 10 ACGE CCCOCN=C=O 146128324 HCRSNPPXQMGRPS-UHFFFAOYSA-N 115.132 0.706 50 10 ACGE C[C@H](Cl)C(=O)Nc1nnns1 166271805 LEUFZAIVRISHGX-REOHCLBHSA-N 192.631 0.499 50 10 ACGE CC(C)C/C=C\B(O)O 195824361 OLTGERMANPOCTC-HYXAFXHYSA-N 127.980 0.601 50 10 ACGE CCc1cc(F)cc(B(O)O)c1 203701009 ZPRYFKYLZHGFPS-UHFFFAOYSA-N 167.976 0.068 50 10 ACGE C[C@@H]1OCC[C@H]1CNC(=O)CCl 235309008 ZBQPFMUMVFDLSX-BQBZGAKWSA-N 191.658 0.766 50 10 ACGE CC(=O)NC(=O)[C@H](C)Br 235430694 MCTOSAYHKPIPCY-VKHMYHEASA-N 194.028 0.433 50 10 ACGE C[C@@H]1CC[C@@H](CCO)[C@@H]1C(=O)NN 238442599 WVHIEINGCNKEFU-GJMOJQLCSA-N 186.255 0.021 50 10 ACGE N[C@@H](CB(O)O)c1ccccc1 238611362 OIKXDGQZSKBAIP-QMMMGPOBSA-N 165.001 0.159 50 10 ACGE N#CC1=C[C@@H](O)C[C@H]2OCCCN12 238674843 RKXQSHLWGQCXBU-RKDXNWHRSA-N 180.207 0.207 50 10 ACGE COC(=O)NCCN=C=S 306223188 YOGWPCQVTSAWNX-UHFFFAOYSA-N 160.198 0.445 50 10 ACGE O=CNNC(=O)c1ccc(F)cc1 306237338 ORRNTWDEIZDQCG-UHFFFAOYSA-N 182.154 0.217 50 10 ACGE C[C@@H]1CN(S(C)(=O)=O)C[C@H]1Cl 306642868 VBUNFVCJMNBBBR-PHDIDXHHSA-N 197.687 0.505 50 10 ACGE Cc1ccc(OCC(=O)NN)c(F)c1 306652246 GHJWLTDJNLFFKM-UHFFFAOYSA-N 198.197 0.503 50 10 ACGE O=C1N[C@@H]2C[C@@H](F)CC[C@@H]2C(=O)O1 306971552 KISGVMIQVPKBDG-HCWXCVPCSA-N 187.170 0.760 50 10 ACGE NC(=O)N/N=C1/CC[C@@H]2C=CC[C@H]12 307034570 SZWPDBAJHMHPJQ-IRGKXCOYSA-N 179.223 0.997 50 10 ACGE CCN1CC(N=C=S)C1 307342804 HYIAOKOTOQKHHN-UHFFFAOYSA-N 142.227 0.793 50 10 ACGE CN(C)CCONC/C=C\CCl 379009607 KKNGWOSUBGIIDU-ARJAWSKDSA-N 192.690 0.864 50 10 ACGE CC(=O)O/C(=C/C=C\C=O)N(C)C 383921886 LAYZTZIRXQPJKQ-KMOPYBJPSA-N 183.207 0.708 50 10 ACGE C/C(C#N)=C1/C=CNC(=O)N1C 383982148 YBNRTFCMWUBBAY-VOTSOKGWSA-N 163.180 0.953 50 10 ACGE CCC[C@H](C#N)/C(C)=N/NC(N)=O 388286268 HVOIHFQXEJMQNE-PKTIUJEHSA-N 182.227 0.970 50 10 ACGE CCC/C(=N\NC(N)=O)[C@H]1CCCN1 389070726 VMIZQXIYXJVGKA-MEEZGBQKSA-N 198.270 0.563 50 10 ACGE NC(=S)NNC(=O)CCC1CC1 400765245 AMKSNYBLBWQZSU-UHFFFAOYSA-N 187.268 0.041 50 10 ACGE N[C@@H]1CC[C@@H]2[C@@H](Cl)NN[C@@H]2C1 585665164 OQMPBYOKPPDPEZ-UCROKIRRSA-N 175.663 0.155 50 10 ACGE CNNC(=O)c1occc1C 606244963 CNLYTKJNJMXLAY-UHFFFAOYSA-N 154.169 0.452 50 10 ACGE C[C@@H]1CN(C(=O)OCCl)C[C@@H]1O 692851296 IJENXKQYBZLQNM-RITPCOANSA-N 193.630 0.632 50 10 ACGE Cc1nc(C[C@H](O)CCl)cn1C 706083724 WNMXDIRPKAETRK-QMMMGPOBSA-N 188.658 0.871 50 10 ACGE CNNC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 707631002 HWXQGZDVWVLACF-RULNZFCNSA-N 180.251 0.529 50 10 ACGE O[C@H](CCl)CN1C[C@H](F)[C@H](F)C1 714725040 REROVIROXSVZEO-QYNIQEEDSA-N 199.628 0.578 50 10 ACGE CN(C)CC[C@@H](N=C=S)C(=O)O 757193243 TZANHRPXWRLVTD-ZCFIWIBFSA-N 188.252 0.494 50 10 ACGE C[C@H]1OCCO[C@H]1C(=O)CCl 885364372 VMUZLEGBJVWEEV-IYSWYEEDSA-N 178.615 0.598 50 10 ACGE CC(C)C[N+]1=C=C([C@@H](C)Cl)NN1 885517587 NUBLAGIDKCQFRT-SSDOTTSWSA-N 188.682 0.859 50 10 ACGE C=CCN(C)C1=NC(C)=C=C(C#N)N1 885525832 CFRMERHZUUEJIN-UHFFFAOYSA-N 188.234 0.974 50 10 ACGE CCN(C1=C=C=C(C#N)NN1)C(C)C 885565094 LHMHTKVGJALQFB-UHFFFAOYSA-N 190.250 0.827 50 10 ACGE CNC(=O)[C@@H]1C[C@@H]1Br 1877334056 JLTWGAGSAGYTBM-DMTCNVIQSA-N 178.029 0.516 50 10 ACGE C[C@H](Cl)C(=O)N1[C@@H]2COC[C@H]1C2 1877565884 JRSLWJZCRSQTQV-LYFYHCNISA-N 189.642 0.613 50 10 ACGE NNC[C@H]1C[C@H]1Cl 1879940787 JVKPIIXSMXMVFJ-QWWZWVQMSA-N 120.583 0.077 50 10 ACGE O=C(F)[C@H]1CCCOC1 1879958692 WIJZVFBNRMROIC-YFKPBYRVSA-N 132.134 0.909 50 10 ACGE NC(=O)NC[C@@H]1C[C@@H]1Cl 1879985266 TUQPSBDNSNWFKW-IMJSIDKUSA-N 148.593 0.282 50 10 ACGE NCC1(F)CN(C(=O)F)C1 1880054761 AXFMQKVULDKSMN-UHFFFAOYSA-N 150.128 0.059 50 10 ACGE O=C(Cl)N1CC2(C=CCO2)C1 1880296519 VKELHYFTECVVKN-UHFFFAOYSA-N 173.599 0.986 50 10 ACGE O=C(F)N[C@H](CO)C1CCC1 1880315944 IKQRZMVJJVBNBV-ZCFIWIBFSA-N 161.176 0.827 50 10 ACGE C[C@@H]1CNC[C@@H]1CNC(=O)F 1880316150 JYLWFLVGHGOXAE-PHDIDXHHSA-N 160.192 0.521 50 10 ACGE C[C@H](CCO)NC[C@@H]1C[C@@H]1Cl 1880436404 NNWQXMXBVDWKJG-CSMHCCOUSA-N 177.675 0.974 50 10 ACGE NCC[S@](=O)CC1CC(Cl)C1 1880455959 LJSDPBVTJNUEEK-OGIFLDNPSA-N 195.715 0.711 50 10 ACGE CCN(CCCl)C(=O)C1COC1 1880565772 XEAVAZILWJFDKY-UHFFFAOYSA-N 191.658 0.720 50 10 ACGE O=C=N[C@H]1C[C@@H](n2cccn2)C1 1880978011 GKHZEPIOYLCCAM-OCAPTIKFSA-N 163.180 0.922 50 10 ACGE CC(C)(O)[C@H]1CCN1C(=O)CCl 1881177022 RDVTZGUVWYPULG-ZCFIWIBFSA-N 191.658 0.597 50 10 ACGE O=C1C[C@H](CNC[C@@H]2C[C@@H]2Cl)N1 1881367871 YRXHRVSLISSRKC-XVMARJQXSA-N 188.658 0.092 50 10 ACGE O=C(Cl)C=CC(=O)N[C@H]1C[C@@H]1F 1881389174 RVPLOQIWAKVZJQ-WHFBIAKZSA-N 191.589 0.535 50 10 ACGE O=C(N[C@@H]1CCNC1)[C@H]1C[C@@H]1Cl 1881393737 ZKOLZZPMRSEYJJ-VQVTYTSYSA-N 188.658 0.092 50 10 ACGE C[C@@H]1NC[C@H]1NCC1CC(Cl)C1 1881404526 XDWZKKPRIZHRKW-DFAZKQQPSA-N 188.702 0.954 50 10 ACGE C[C@]1(C(=O)N=C=O)CCCCO1 1881461268 IFCUEWYJWYBXTE-MRVPVSSYSA-N 169.180 0.808 50 10 ACGE Cn1nnc(C[C@H]2CC=C[C@H]2Cl)n1 1881889874 VYSIRBURLBCQIR-RNFRBKRXSA-N 198.657 0.936 50 10 ACGE C[C@@H](O)C[C@@H]1COCCN1C(=O)F 1882777263 BXABERMDCCNTLX-RNFRBKRXSA-N 191.202 0.548 50 10 ACGE CC[C@]12CO[C@](C(=O)N(C)N)(C1)C2 1884150502 WJYXFERYVLTEQK-DTORHVGOSA-N 184.239 0.278 50 10 ACGE C#CCO[C@@H](C)CCCC(=O)NN 1889178405 KDEYKJXSNYVZSH-QMMMGPOBSA-N 184.239 0.185 50 10 ACGE NNC(=O)CO[C@@H]1CCCC[C@H]2C[C@H]21 1890727454 OLKUWSWULCXUQV-DJLDLDEBSA-N 198.266 0.572 50 10 ACGE CN1CCC[C@H]1C=CN=C=O 1911603701 FQOLSGACMKTVPH-QMMMGPOBSA-N 152.197 0.930 50 10 ACGE C[C@@H](S)C(=O)N1CC=C(C#N)CC1 1917087706 IQCHXIQXVSXWMY-SSDOTTSWSA-N 196.275 0.987 50 10 ACGE CCCCN(C)NC(=O)[C@H](C)O 1923497275 LEZZBJCOSYNBNS-ZETCQYMHSA-N 174.244 0.130 50 10 ACGE C#C[C@H](C)N[C@@H]1COC[C@H]1CCl 1925415468 WHKSJAVKGHVBMD-DJLDLDEBSA-N 187.670 0.852 50 10 ACGE C#C[C@H](C)NCCCl 1925471776 SKCVXGJHKBQKPB-LURJTMIESA-N 131.606 0.837 50 10 ACGE N#CC=CCN1CCOCC1 1927704183 HEQCPIXXTRCOAT-UHFFFAOYSA-N 152.197 0.398 50 10 ACGE C=CCN[C@H]1CN(C)C[C@H]1Cl 1928754277 ACWYTGZYNPVMPA-SFYZADRCSA-N 174.675 0.683 50 10 ACGE CC1(C)COCC[C@@]12CC(=O)OC2=O 1929883493 WSHXQCIXNQZQTH-JTQLQIEISA-N 198.218 0.893 50 10 ACGE C[C@H]1C(S(=O)(=O)N=C=O)[C@@H]1C 1931051474 ZMAKXUFMSYZJOY-RFZPGFLSSA-N 175.209 0.306 50 10 ACGE C#C[C@H]1CCN1C(=O)CCCl 1931385882 YEQHKQPRJGCANN-ZETCQYMHSA-N 171.627 0.849 50 10 ACGE COC[C@H](Cl)Cc1cnn(C)n1 1934498301 IZXCDQYCIBZEPD-ZCFIWIBFSA-N 189.646 0.611 50 10 ACGE N#C[C@@H](O)c1cnn2ccccc12 1951725045 LPQZCKKXXVTJCS-SECBINFHSA-N 173.175 0.891 50 10 ACGE N#CC=Cc1cc(=O)cc[nH]1 1952072054 CLVBFZGFIPGHHE-UHFFFAOYSA-N 146.149 0.912 50 10 ACGE COc1ccc(C[C@@H](O)C#N)nc1 1952117320 ZBKVIACFPKPTJB-MRVPVSSYSA-N 178.191 0.517 50 10 ACGE CN1CCOC[C@]1(C)CCl 1953164632 LFBCATCEDFOHDC-ZETCQYMHSA-N 163.648 0.946 50 10 ACGE N#CC1CN(C[C@@H](O)CCl)C1 1953300334 YWJVRDXWTZPFEM-ZETCQYMHSA-N 174.631 0.041 50 10 ACGE CC(C=O)=CC(C)(C)S(C)(=O)=O 1953376068 MEODKJLAOWCLPX-UHFFFAOYSA-N 190.264 0.955 50 10 ACGE COCCN1C[C@H](CCl)OC1=O 1953726015 HZFXIMFGZBHLFQ-LURJTMIESA-N 193.630 0.692 50 10 ACGE O=C(NC[C@H]1C[C@@H]1CO)OCCl 1953757184 PIZFIFYLHLUPLP-PHDIDXHHSA-N 193.630 0.537 50 10 ACGE N#C[C@H](Cl)CN1CCN[C@H]2CC[C@H]21 1954207195 RUKMDVQMDSOWLZ-XHNCKOQMSA-N 199.685 0.554 50 10 ACGE O=C(N[C@H]1C[C@H]1CCl)c1cc[nH]n1 1954309027 ZTXBRJSTEUWJLX-FSPLSTOPSA-N 199.641 0.767 50 10 ACGE CN(CC(=O)NN)[C@@H]1CC[C@H]2C[C@@H]2C1 1954959105 MXIKHPFLKPTKGG-DJLDLDEBSA-N 197.282 0.097 50 10 ACGE CNNC(=O)c1cc(C)c(O)c(C)c1 1956504701 OJAKHRURMCTDSU-UHFFFAOYSA-N 194.234 0.873 50 10 ACGE NNC(=O)N1CCCc2ccncc21 1956854157 BYPVHPSXKGUUED-UHFFFAOYSA-N 192.222 0.418 50 10 ACGE CC(=O)CC(=O)N(N)c1ccccc1 2080538092 XSSYHPAHOLRNNZ-UHFFFAOYSA-N 192.218 0.872 50 10 ACGE C#C[C@H]1CC[C@H](C(=O)NN)CC1 2297004464 RCGNEMIHTFQZQW-ZKCHVHJHSA-N 166.224 0.416 50 10 ACGE O=C=N[C@@H]1C[C@H]2[C@H]3CC[C@H](O3)[C@@H]12 2297203070 AMJVJKFFARAKDQ-JTPBWFLFSA-N 165.192 0.888 50 10 ACGE CC(C)(C)N(C=O)C=CC=O 18694055 SHWAAROWUCJZAO-UHFFFAOYSA-N 155.197 0.956 50 10 ACGE N#CC[C@@H](O)CBr 34302602 JFRMZVKWPONIDN-SCSAIBSYSA-N 164.002 0.656 50 10 ACGE O=C(O)[C@@H]1CC[C@@H](Cl)[C@H](O)C1 39255996 MSTVTNQRWDYSNC-HSUXUTPPSA-N 178.615 0.839 50 10 ACGE COCOC(=O)CBr 59603326 YBPRHSIPMVIEAP-UHFFFAOYSA-N 183.001 0.528 50 10 ACGE CC[C@@H](C)OCCCCC(=O)NN 82465137 RIBFMVNGAKXYKJ-MRVPVSSYSA-N 188.271 0.962 50 10 ACGE C[C@@H](CCl)NCCS(C)(=O)=O 83196811 FDLIRNIWQWAXHZ-LURJTMIESA-N 199.703 0.248 50 10 ACGE S=C=NC[C@H]1CN2CCC[C@H]2CO1 85791050 HOGPGMMQRNYHFB-IUCAKERBSA-N 198.291 0.952 50 10 ACGE CN1CCC[C@@]2(CC1)CC(=O)OC2=O 114410603 RJTKWLGNZMLWFH-SNVBAGLBSA-N 197.234 0.562 50 10 ACGE CCC[C@H]1CCN([C@@H](C)C(=O)NN)C1 127795725 ONVVMOZDBCAVBQ-IUCAKERBSA-N 199.298 0.487 50 10 ACGE C[C@H](Cl)C(C)(C)NS(C)(=O)=O 128843315 SFHLTMDGBAMMRO-YFKPBYRVSA-N 199.703 0.942 50 10 ACGE CC[C@@H]1CC[C@H](C)N1C(=O)NN 136395716 PIABXWZGGANVRX-NKWVEPMBSA-N 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CC[C@]1(C(=O)NN(C)C)CCCN1 215396297 CUDNPXDHHNJRCS-SECBINFHSA-N 185.271 0.111 50 10 ACGE C[C@H]1CCN(C(=O)CCl)C[C@H]1O 230233980 UOPCNYQUEGVFID-NKWVEPMBSA-N 191.658 0.455 50 10 ACGE C[C@H]1CCC[C@@H]1CNC(=O)NN 230708609 UXECVPBMRFYTFY-NKWVEPMBSA-N 171.244 0.596 50 10 ACGE CC/C(CCC(=O)O)=N\NC(N)=O 238213674 PUEHDLSVFQWHRE-WEVVVXLNSA-N 187.199 0.286 50 10 ACGE C[C@]1(CCl)O[S@](=O)OC1=O 238476863 YEWWAHPCJDJVEW-PHNJOPHVSA-N 184.600 0.136 50 10 ACGE O=C1CCC(=O)N1[C@@H](Cl)CCl 238505003 MEOOHHZAAWPYFY-SCSAIBSYSA-N 196.033 0.939 50 10 ACGE C[C@@H](Cl)C(=O)NCc1cnccn1 242941534 HBTOMEMJZSFFRI-ZCFIWIBFSA-N 199.641 0.720 50 10 ACGE CN(C)NC(=O)C[C@@H](N)C1CCC1 258952214 BCPXWRMQLCKKNA-MRVPVSSYSA-N 185.271 0.097 50 10 ACGE CN1CCCC[C@@H]([C@@H](O)C#N)C1 259773026 APRGRNPLWOPZJR-BDAKNGLRSA-N 168.240 0.603 50 10 ACGE N#C/C=C\CN1CCOCC1 260182295 HEQCPIXXTRCOAT-UPHRSURJSA-N 152.197 0.398 50 10 ACGE C[C@@H]1/C(=N/NC(N)=O)CC[C@@H]1C(=O)O 306815099 CWWVCTUSCXFDBL-DAHMIROUSA-N 199.210 0.141 50 10 ACGE 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CN[C@@H](C)C(=O)NC[C@H]1C[C@@H]1Cl 1881365773 NLKZYYNAVPFAMP-XVMARJQXSA-N 190.674 0.338 50 10 ACGE O=C1CNC(=O)N1C[C@@H]1C[C@H]1Cl 1881367434 WTAHIGDUAUDKBM-CRCLSJGQSA-N 188.614 0.166 50 10 ACGE C[C@H](CN)N(C)C(=O)[C@@H]1C[C@H]1Cl 1881390911 AVHWHBMZEMBMDM-FSDSQADBSA-N 190.674 0.419 50 10 ACGE O=C(N[C@H]1CCNC1)[C@@H]1C[C@H]1Cl 1881393736 ZKOLZZPMRSEYJJ-RRKCRQDMSA-N 188.658 0.092 50 10 ACGE CN(N)C(=O)[C@@H]1C[C@@H]2CC[C@H](C1)O2 1882328820 ZLFWZPRXSQMULL-RNLVFQAGSA-N 184.239 0.276 50 10 ACGE Nc1cnn2c1N(C(=O)F)CCC2 1882789393 KMZQQLOZFSKMMK-UHFFFAOYSA-N 184.174 0.765 50 10 ACGE O=C(F)O[C@@H]1CO[C@@]2(CCNC2)C1 1884008543 ZMIDUMAPNICRLC-XPUUQOCRSA-N 189.186 0.614 50 10 ACGE CN(CCC(=O)NN)CCC1(C)CC1 1885371564 AVNBLLUPMRNRBD-UHFFFAOYSA-N 199.298 0.488 50 10 ACGE NC(=O)NN=C1C[C@H]2[C@@H]1[C@H]1CC[C@H]2O1 1887694170 OFMGOEOJCLPUOE-JBBNEOJLSA-N 195.222 0.208 50 10 ACGE NCC1(F)CN(C[C@@H]2C[C@@H]2Cl)C1 1888407608 ZNTSDFTXISHZCR-BQBZGAKWSA-N 192.665 0.596 50 10 ACGE C=CCN1CC[C@](C)(B(O)O)C1 1891493618 WDPDXWAYVSLFNW-QMMMGPOBSA-N 169.033 0.111 50 10 ACGE C=C(CO[C@H]1C[C@H]2C=C[C@H]1C2)B(O)O 1895211829 KKVBAEJKNAOUMX-GUBZILKMSA-N 194.039 0.536 50 10 ACGE CCN(C)NC(=O)C#CC1CC1 1923512180 KOPVRNLRXQFWGD-UHFFFAOYSA-N 166.224 0.383 50 10 ACGE CSCCC(=O)NNC(C)C 1923916550 JIYCWODSZCKOAP-UHFFFAOYSA-N 176.285 0.769 50 10 ACGE C[C@H](CC(=O)NN)N1CC[C@H]2CC[C@H]21 1924378048 YZJJSINCHDBYMO-IWSPIJDZSA-N 197.282 0.239 50 10 ACGE C[C@H](CCl)CN1C[C@](C)(O)CO1 1930278923 WJXBOTHDGRVAOH-SFYZADRCSA-N 193.674 0.860 50 10 ACGE CNNC(=O)[C@@H]1CC[C@@H](C)S1 1931586318 WOJSPGOCHSSPGZ-RITPCOANSA-N 174.269 0.521 50 10 ACGE C#CCN[C@@H]1COC[C@H]1Cl 1932436476 FTPOWBXQZXVXHY-RNFRBKRXSA-N 159.616 0.215 50 10 ACGE O=S(=O)(O)S1=C[CH-]C=C1 1933230208 FGLSRYXGXBWGDZ-UHFFFAOYSA-N 165.215 0.592 50 10 ACGE C[C@@](N)(C(=O)CCl)C1CC1 1953156264 NKIVKUMXTBWDFX-ZETCQYMHSA-N 161.632 0.922 50 10 ACGE O=C(CCl)CO[C@@H]1CCNC1 1953236400 GTUGTZOPVCLIBL-SSDOTTSWSA-N 177.631 0.173 50 10 ACGE CNNC(=O)[C@]12C[C@@H](C)[C@H]1C2 1953259682 WRLVGJFGPZQYFW-JKMUOGBPSA-N 154.213 0.283 50 10 ACGE N#C[C@H](O)[C@@H]1C[C@H]2CC[C@@H]1O2 1953291883 KABLMHNDDGUEAF-KVPKETBZSA-N 153.181 0.438 50 10 ACGE O[C@@H](CCl)CN1C[C@@H](F)[C@H](F)C1 1953404876 REROVIROXSVZEO-RRKCRQDMSA-N 199.628 0.578 50 10 ACGE N#C[C@@H](Cl)CN1CCC(N)CC1 1953752254 RBOCLYOFPZIDOQ-SSDOTTSWSA-N 187.674 0.540 50 10 ACGE CO[C@H]1CC[C@H]1C(=O)F 2208917509 GKKBSBOBBRPRGU-UHNVWZDZSA-N 132.134 0.908 50 10 ACGE N[C@H](CCl)[C@@H]1[C@H]2CNC[C@@H]1C2 2241817527 MFRXVKCQXFSFAF-ULAWRXDQSA-N 174.675 0.408 50 10 ACGE N#CC=C1C=C[C@@H](O)C[C@H]1O 2333109907 OKLUWXIZGZHBKD-HTQZYQBOSA-N 151.165 0.118 50 10 ACGE C=CCNC(=O)NC(=O)CCCl 36904831 HJKUMRJDOGPIJZ-UHFFFAOYSA-N 190.630 0.627 50 10 ACGE CCCN(CCO)C(=O)[C@@H](C)Cl 37830785 HPVXICWJRHDKPK-SSDOTTSWSA-N 193.674 0.845 50 10 ACGE CNC[C@H](C)Br 39416208 KWBUVWFIMOHGCZ-BYPYZUCNSA-N 152.035 0.989 50 10 ACGE CCCN(CCCl)S(C)(=O)=O 71083341 ZGDODNUSAIAMPX-UHFFFAOYSA-N 199.703 0.897 50 10 ACGE NC(=O)N/N=C/c1ccc(O)cc1F 71255937 MHKSOMAOOGZULW-NYYWCZLTSA-N 197.169 0.534 50 10 ACGE CN(C)c1ccc(F)c(C(=O)NN)c1 75848425 ZNYCPIUQLYTFDN-UHFFFAOYSA-N 197.213 0.495 50 10 ACGE NN[C@H](C(=O)Cl)c1ccccc1 104549865 MRUOVZVDMYJIKK-ZETCQYMHSA-N 184.626 0.956 50 10 ACGE C[C@H](CNCCCl)C(=O)O 104725596 GKPKYYYZVYNKSD-RXMQYKEDSA-N 165.620 0.536 50 10 ACGE C[C@@H](Cl)CNC(=O)c1cc[nH]n1 136847268 UMLKKYCQNXTNIJ-RXMQYKEDSA-N 187.630 0.767 50 10 ACGE C[C@H](CCl)NC(=O)[C@H]1CCCO1 137149296 FHDWJSUCOBVREX-RNFRBKRXSA-N 191.658 0.909 50 10 ACGE COC(=O)NC[C@H](C)Cl 140997029 HNVSQAWBGWPUHO-BYPYZUCNSA-N 151.593 0.970 50 10 ACGE O=CN1CCN(C(=O)Cl)CC1 142854098 AUXZXLLTSORQEB-UHFFFAOYSA-N 176.603 0.119 50 10 ACGE CCOC(=O)[C@@H]1CC/C(=C\C#N)N1 145323350 AOSKCRJVEQHLEA-IVGLGHLBSA-N 180.207 0.709 50 10 ACGE OC[C@@H](Br)[C@@H]1C=CCO1 147463417 WFGWECRZHNHOTB-RITPCOANSA-N 193.040 0.697 50 10 ACGE CN(C)CCN(C)C[C@@H](O)CCl 156327948 ODIIBIBHZKHZGM-QMMMGPOBSA-N 194.706 0.080 50 10 ACGE 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ACGE C[C@@H]1CC=CC[C@H]1C(=O)N(C)N 885173995 YAFVCJLKKSGOHT-HTQZYQBOSA-N 168.240 0.921 50 10 ACGE Cn1ccc(NNC(=O)[C@@H]2C[C@H]2F)n1 1472557658 FQECDTXKSTYFLL-PHDIDXHHSA-N 198.201 0.221 50 10 ACGE C[C@@H](N)CCNC(=O)F 1879973028 DTPWDNMVZIHTHL-SCSAIBSYSA-N 134.154 0.403 50 10 ACGE NCCNCC1CC(Cl)C1 1880098229 DRDQIEAZLADOOP-UHFFFAOYSA-N 162.664 0.552 50 10 ACGE C[C@@H]1C[C@@H]([C@@H](N)CCl)CCN1 1880204737 MCJDQXKJIULMRV-CSMHCCOUSA-N 176.691 0.941 50 10 ACGE CN(N)C(=O)C1CC(C)(F)C1 1880307621 MSXCTIGRZMQKSD-UHFFFAOYSA-N 160.192 0.457 50 10 ACGE N[C@@H]1CC[C@H](CNC(=O)F)C1 1880309955 WGZQLPALGPAIBB-NTSWFWBYSA-N 160.192 0.793 50 10 ACGE C[C@@H](CC[S@](C)=O)NC(=O)F 1880316971 QXNZCRYYLOADIN-DYEAUMGKSA-N 181.232 0.823 50 10 ACGE O=C(F)N[C@@H]1C[C@@H]2COC[C@@H]21 1880336567 VCQDQXPLMSATCE-NGJCXOISSA-N 159.160 0.700 50 10 ACGE CCOCCOCCNC(=O)F 1881054665 FPPLXQBJNDIEEW-UHFFFAOYSA-N 179.191 0.719 50 10 ACGE C[C@@H]1N2CCC(CC2)[C@@]1(O)C#N 1881224065 COZRJMMBLLDELZ-IONNQARKSA-N 166.224 0.355 50 10 ACGE O=C([C@@H]1C[C@@H]1Cl)N1CC[C@H]1CO 1881401583 SULJLLCKFDRJDK-XVMARJQXSA-N 189.642 0.207 50 10 ACGE OC[C@@H]1C[C@@H](O)CCN1CCCl 1881522298 ZPPXUYAEBMDILB-YUMQZZPRSA-N 193.674 0.043 50 10 ACGE CO[C@H]1C2(CCC2)C[C@@]1(O)C#N 1881615765 FRLYACZTVWMRDB-IONNQARKSA-N 167.208 0.830 50 10 ACGE O=C(F)NC[C@@H]1C[C@@H](C(=O)O)CO1 1882777389 DOKUDXOKYRTOSI-UHNVWZDZSA-N 191.158 0.155 50 10 ACGE O=C(F)OC[C@@H]1C[C@H]2COC[C@@H]2N1 1882786516 AZUUEVMJTLSOEL-ACZMJKKPSA-N 189.186 0.469 50 10 ACGE CNCC1(OC(=O)F)CCOCC1 1882787987 RLVJYDIBYKSSBL-UHFFFAOYSA-N 191.202 0.861 50 10 ACGE O=C(F)N[C@@H](C(=O)O)[C@@H]1CCCO1 1882789299 JHOPUIKSPASFPE-CRCLSJGQSA-N 191.158 0.298 50 10 ACGE CC1=CC(=O)N(C[C@@H]2C[C@@H]2Cl)C1=O 1883567748 QZNKIRKAMDBPBV-BQBZGAKWSA-N 199.637 0.929 50 10 ACGE C#CCCN(CC(=O)O)C(=O)F 1887070379 RSXPPLYPPFNDKZ-UHFFFAOYSA-N 173.143 0.486 50 10 ACGE C[C@@H](F)CN1CC[C@](C)(B(O)O)C1 1891540899 YQAHDFZSIYZBBQ-SFYZADRCSA-N 189.039 0.283 50 10 ACGE CC[C@@](C)(CS)C(=O)NN 1891978120 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50 10 ACGE O=C1CCN(C(=O)[C@@H]2C[C@H]2Cl)C1 1881400496 MEJMUSQXPINDDB-RNFRBKRXSA-N 187.626 0.415 50 10 ACGE C=C(CN(C)CC(C)C)B(O)O 1881436170 GDKTXZSNYHMJQD-UHFFFAOYSA-N 171.049 0.142 50 10 ACGE O=C(F)NCCOC[C@@H]1CCCO1 1882786440 AVFXVSGEBHHALO-ZETCQYMHSA-N 191.202 0.861 50 10 ACGE C=C(COC[C@@H](C)C1CC1)B(O)O 1883745298 YWAFSSDMKWASRN-SSDOTTSWSA-N 184.044 0.617 50 10 ACGE CCC=C(C)CO[C@@H](C)C(=O)NN 1888001299 DZLNAKZZWFQXPL-QMMMGPOBSA-N 186.255 0.738 50 10 ACGE NC(=O)[C@H]1CN(C(=O)F)CC12CC2 1892602959 MXHTTZORHCXXSU-RXMQYKEDSA-N 186.186 0.273 50 10 ACGE COc1cc(C)cc([C@@H](N)B(O)O)c1 1900319720 RVEAQZVLRHKBIC-SECBINFHSA-N 195.027 0.015 50 10 ACGE O=S1(=NC[C@@H](O)CCl)CCC1 1913871801 YUJHJHZQXNVQNO-LURJTMIESA-N 197.687 0.458 50 10 ACGE CN(C(=O)CCCCl)C1COC1 1915723464 GMAGMKVNPOMZSI-UHFFFAOYSA-N 191.658 0.863 50 10 ACGE CC(C)C[C@@H](C)CNCB(O)O 1923697341 DKWNXUBIIIEINW-MRVPVSSYSA-N 173.065 0.270 50 10 ACGE NNC(=O)c1ccc(C2CC2)o1 1923844860 GUOHVMZVAUNUGF-UHFFFAOYSA-N 166.180 0.761 50 10 ACGE C[C@@H]([C@@H](C)C(=O)NN)N1CC2CC1C2 1931632137 YFHXNZSIKKZDBI-DKATWDMPSA-N 197.282 0.095 50 10 ACGE Cc1coc(C)c1C(=O)NNC(N)=O 1932573930 ROACBWCQMDKUKK-UHFFFAOYSA-N 197.194 0.210 50 10 ACGE CCCn1cnc(C=CB(O)O)c1 1933541608 PEQPRPBSLKFWNP-UHFFFAOYSA-N 180.016 0.318 50 10 ACGE N[C@@H](B(O)O)[C@H]1CC12CCCCC2 1935084740 WBSQNLKCIRZRFJ-HTQZYQBOSA-N 183.060 0.296 50 10 ACGE C[C@@H]1C[C@H](C(=O)CCl)N1 1953138659 LGXGQUHFEHFDER-RFZPGFLSSA-N 147.605 0.545 50 10 ACGE O=C(CCl)CN1CCCC1 1953156349 OPSPFACIKYKYIQ-UHFFFAOYSA-N 161.632 0.890 50 10 ACGE C[C@H](Cl)C(=O)N[C@H]1C[C@@H]1CO 1953229687 SGAGKVSNBWJWRA-JKUQZMGJSA-N 177.631 0.111 50 10 ACGE O=C(CCl)NCC1[C@H]2CC[C@H]12 1953249601 ZUURMYPYWGMMHM-WDSKDSINSA-N 173.643 0.997 50 10 ACGE C[C@H]1CCOCC[C@@]1(O)C#N 1953314753 WRDIQDZCOQTCSF-JGVFFNPUSA-N 155.197 0.688 50 10 ACGE NNC(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 1953685976 XCOZFYPHHYRZRH-LMVFSUKVSA-N 176.166 0.268 50 10 ACGE CC1(C)CCC[C@@H]([C@H](N)B(O)O)C1 1953954847 XUGHWOHIQBSFLA-SFYZADRCSA-N 185.076 0.542 50 10 ACGE CCOc1c(C)ccc(B(O)O)c1C 2060073801 ZXFVKKIAGXWLTI-UHFFFAOYSA-N 194.039 0.382 50 10 ACGE N#C[C@]1(O)CCC2(CC2)NC1 2208959439 QZMXGEJFXMORPG-MRVPVSSYSA-N 152.197 0.157 50 10 ACGE CCCC1(C(=O)NN(C)C)CC(N)C1 2209436224 FNXMDFIJLUTYKX-UHFFFAOYSA-N 199.298 0.487 50 10 ACGE C#CCOC[C@@H]1CC[C@@H](C(=O)NN)C1 2241638929 GSOZUKNOHPVLKH-RKDXNWHRSA-N 196.250 0.042 50 10 ACGE COCC1(C(=O)NN)CC(F)(F)C1 2242456091 MUGIZTLBCWNLJW-UHFFFAOYSA-N 194.181 0.038 50 10 ACGE NC1=Nc2nc[nH]c2[C@H](Cl)N1 13518265 XXVVIPJTFGVREC-GSVOUGTGSA-N 171.591 0.197 50 10 ACGE COC(=O)[C@H]1OCC[C@@H]1CCl 34075938 FDKUOKZUTNCFMV-RITPCOANSA-N 178.615 0.803 50 10 ACGE CN1C=C(C#N)C[C@H](O)C1 34539791 WTQGADUBDBKSRU-ZETCQYMHSA-N 138.170 0.090 50 10 ACGE COC(=O)NN(P)C(=O)OC 39139491 GSJXRTAJHKPUHG-UHFFFAOYSA-N 180.100 0.116 50 10 ACGE COC(=O)[C@@H](F)Br 39269729 WLBFGGXFXHZDCN-UWTATZPHSA-N 170.965 0.850 50 10 ACGE COC(=O)[C@H](F)Cl 39270902 BOAUPQGHNSRKQU-REOHCLBHSA-N 126.514 0.694 50 10 ACGE CC(C)[C@H](CO)NC(=O)[C@H](C)Cl 86123045 FCVBPDWSKLWPPM-BQBZGAKWSA-N 193.674 0.747 50 10 ACGE CC(=O)[C@H](C)NC(=O)CCl 104716771 XCOQNBXHWZPQQL-BYPYZUCNSA-N 163.604 0.319 50 10 ACGE Oc1nsnc1CCl 104734238 DOTCYROUYHCZRT-UHFFFAOYSA-N 150.590 0.983 50 10 ACGE CC(=O)[C@](C)(O)[C@H](C)Cl 147268479 QXAIMTZPNCOZGM-UJURSFKZSA-N 150.605 0.954 50 10 ACGE C[C@]12CS(=O)(=O)C[C@H]1[C@@H]2Cl 163258335 VZFGWKWRLDMAIN-ZLUOBGJFSA-N 180.656 0.658 50 10 ACGE NNC(=O)[C@H]1C[C@@H]1c1ccccn1 196576358 IMQOJRYSVHDKRP-BQBZGAKWSA-N 177.207 0.175 50 10 ACGE C=C(C=O)OCOCCOC 196902640 XDWLXMGQFCHSNX-UHFFFAOYSA-N 160.169 0.336 50 10 ACGE Cc1ccc(B(O)O)c(C2CC2)c1 203613067 JGFBPSMKBUQZNA-UHFFFAOYSA-N 176.024 0.552 50 10 ACGE N[C@@H](CCl)[C@@H](O)CCl 212049976 YPUSONGEIVVDGN-IMJSIDKUSA-N 158.028 0.152 50 10 ACGE COC(=O)C1(N)CSSC1 220000436 KLKJPOOFABLFEJ-UHFFFAOYSA-N 179.266 0.252 50 10 ACGE CC1(N2CC(=O)OC(=O)C2)CCC1 228926785 AHLMRKUTVISWRL-UHFFFAOYSA-N 183.207 0.314 50 10 ACGE C/C(=N\NC(N)=O)[C@H](O)C(C)(C)C 238031683 VLBIPLCNVWGOJU-UEEORIODSA-N 187.243 0.438 50 10 ACGE CC(C)[C@H](Cl)[C@@H]1NC(=O)NC1=O 238159449 JMQCMQXJGXLCLF-WHFBIAKZSA-N 190.630 0.458 50 10 ACGE CC1(C)CCC=C1C(=O)NN 238198064 ISZBAQARHTYLCL-UHFFFAOYSA-N 154.213 0.723 50 10 ACGE Cl[C@@H]1CO[C@@H]2CCO[C@@H]12 238560857 IVYSWVNPPVPBRV-PBXRRBTRSA-N 148.589 0.782 50 10 ACGE C=C(C#N)OS(=O)(=O)[C@@H](C)Cl 238802748 UBLHRSMTKFMAOB-YFKPBYRVSA-N 195.627 0.955 50 10 ACGE C[C@@H]([C@@H](C)Cl)S(=O)(=O)O 238803021 POEVJMPSVPRZSU-DMTCNVIQSA-N 172.633 0.890 50 10 ACGE CC(C)CC[C@@H](N)C(=O)N(C)N 258964431 CKZJZMPAUVTVHE-SSDOTTSWSA-N 173.260 0.082 50 10 ACGE C[C@@H]1Cc2ccncc2[C@]1(O)C#N 260899664 HSANIMLHUOMHOP-XCBNKYQSSA-N 174.203 0.985 50 10 ACGE CC(C)/C(=N/NC(N)=O)[C@H](C)S 306397393 IWEXNKBYFKWQMY-ICPXLOEFSA-N 189.284 0.985 50 10 ACGE CNC(=O)N/N=C/C(C)(C)C 306417651 TYSXXPOSIWFURO-WEVVVXLNSA-N 157.217 0.947 50 10 ACGE CC(C)C[C@@H](C)B(O)O 307194645 PWOJPNPYVLLKNO-ZCFIWIBFSA-N 129.996 0.895 50 10 ACGE O=S(=O)(CCl)NCCF 307419981 YNHZUIVNMBCSBF-UHFFFAOYSA-N 175.612 0.072 50 10 ACGE CC[C@@H](SC(=O)NN)C(=O)OC 319845393 YCQJGVXLAJOIPW-SCSAIBSYSA-N 192.240 0.255 50 10 ACGE C[C@H](O)CN(CCO)CCCCl 379318732 MRAPUONTSNPLKR-QMMMGPOBSA-N 195.690 0.290 50 10 ACGE C=CC[C@@](N)(B(O)O)c1ccccc1 396845464 PJMSILXXGKJKGH-JTQLQIEISA-N 191.039 0.429 50 10 ACGE Cn1ncc(Cl)c1/C(N)=C/C#N 575468329 UJQRAHRHAZUNHI-KXFIGUGUSA-N 182.614 0.897 50 10 ACGE NNC(=O)NC1(C2CC2)CC1 575525475 GNWOYNJQGOPGCQ-UHFFFAOYSA-N 155.201 0.102 50 10 ACGE CNNC(=O)c1cc(Cl)c[nH]1 575552840 JQRBGISGKXWWMZ-UHFFFAOYSA-N 173.603 0.532 50 10 ACGE CCc1cc(C)c(OC)c(B(O)O)c1 575704932 ZMFWATDBVKSPTN-UHFFFAOYSA-N 194.039 0.246 50 10 ACGE NNC(=O)c1cc(Cl)cnc1F 606261487 FMIUSNRZFNXOFJ-UHFFFAOYSA-N 189.577 0.478 50 10 ACGE O=[N+]([O-])CC[S@@](=O)Cl 675071519 MUIXNKDQLMFYEO-MRVPVSSYSA-N 157.578 0.166 50 10 ACGE COCC(COC)[S@@](=O)Cl 675072083 XJBUDDJZRWMHFS-SNVBAGLBSA-N 186.660 0.550 50 10 ACGE NNC(=O)[C@@H]1CCC[C@H]2C[C@@H]21 694269356 ZLFYNLZFJAKIIR-XVMARJQXSA-N 154.213 0.413 50 10 ACGE CN(C[C@@H]1CCC[C@@H]2C[C@H]21)C(=O)NN 694430889 JUJYBIKRGDXTHA-HRDYMLBCSA-N 197.282 0.938 50 10 ACGE CS[C@@H]1CCC1=NNC(N)=O 819801833 ZVARXYUIALHVIB-RXMQYKEDSA-N 173.241 0.536 50 10 ACGE [C-]#[N+]C1=C=C(C)N(C)N1 885219563 NOJPXJYRDPCLKF-UHFFFAOYSA-N 121.143 0.700 50 10 ACGE CC1=NC(C#N)=C=C(OC2COC2)N1 885570760 XLKWHRQHGDTUMP-UHFFFAOYSA-N 191.190 0.271 50 10 ACGE O=C[C@H]1C[C@H](Br)CO1 1073234896 QCYSCBSGWSZIDH-CRCLSJGQSA-N 179.013 0.738 50 10 ACGE Cc1ccc(F)c(NNC(=O)CO)c1 1137656248 VZHRCMKDMPWXFA-UHFFFAOYSA-N 198.197 0.570 50 10 ACGE C[C@@H](N=C=O)c1ccncn1 1535736207 IIFXMIBDQGMFKS-ZCFIWIBFSA-N 149.153 0.873 50 10 ACGE C[C@H](N)C(=O)[C@@H]1C[C@H]1Br 1877402964 KQHFJVBKBWUDLN-VPENINKCSA-N 192.056 0.686 50 10 ACGE N=C(NN)[C@@H]1C[C@H]1Cl 1879946939 OHNRHCQIAMWKJZ-PWNYCUMCSA-N 133.582 0.054 50 10 ACGE N[C@H](CCl)CC1CNC1 1879967410 NWFZGOVAHSFBBC-LURJTMIESA-N 148.637 0.162 50 10 ACGE ClCOCCn1cncn1 1880054658 SRSBLKMQMNKUDV-UHFFFAOYSA-N 161.592 0.491 50 10 ACGE C[C@H]1C[C@@H](NC(=O)F)CO1 1880054995 DMCMPRGNBIXAEC-CRCLSJGQSA-N 147.149 0.843 50 10 ACGE N#C[C@@H](NC(=O)F)C1CC1 1880064964 QEXXOKIPERQFGC-RXMQYKEDSA-N 142.133 0.968 50 10 ACGE CNC(=S)NC[C@@H]1C[C@H]1Cl 1880107434 MGBARAPJMMFEDK-CRCLSJGQSA-N 178.688 0.708 50 10 ACGE N[C@@H](CCl)[C@@H]1C[C@H]2CN[C@H]1C2 1880230843 KOAHXEYKRLPQMT-KVPKETBZSA-N 174.675 0.551 50 10 ACGE O=C(F)OC[C@H]1COCCN1 1880316776 PPYBGGSYKCGHCK-RXMQYKEDSA-N 163.148 0.081 50 10 ACGE O=C(F)NCc1ccnnc1 1880336093 OTZGKKIEVAGULS-UHFFFAOYSA-N 155.132 0.656 50 10 ACGE CN1CCC(=CC#N)CC1=O 1880345234 USMYAGCZLVJETQ-UHFFFAOYSA-N 150.181 0.689 50 10 ACGE C[C@H](O)C(=O)NC[C@@H]1C[C@H]1Cl 1880435348 AUKUDVWKESXFKP-HCWXCVPCSA-N 177.631 0.111 50 10 ACGE S=C=N[C@H]1CCn2nnnc2C1 1880647741 FSLQCMVDSWMLDJ-YFKPBYRVSA-N 181.224 0.091 50 10 ACGE Cn1[nH]cnc1=NCC=CCCl 1880675166 VHSDHQYPCSSIKA-UHFFFAOYSA-N 186.646 0.444 50 10 ACGE C[C@H](Cl)CC(=O)N1C[C@@H](O)[C@@H]1C 1880906435 FFEXIEZPMOKMQJ-LYFYHCNISA-N 191.658 0.595 50 10 ACGE C[C@H]1C[C@@H]1NC(=O)C=CC(=O)Cl 1881388631 LSKAVXDYTIMOHA-WDSKDSINSA-N 187.626 0.833 50 10 ACGE CS[C@H](C)[C@@H](NC(=O)F)C(=O)O 1881656031 NOKCIZJRSVHSDK-QWWZWVQMSA-N 195.215 0.870 50 10 ACGE C[C@@H]1C[C@@]1(C)CN1CC[C@H](B(O)O)C1 1891584538 HCTAJHMQZMEAAX-UTLUCORTSA-N 197.087 0.581 50 10 ACGE COC[C@]1(CN)C=CCN1C(=O)F 1893396146 DLFXCUDNWLXWTG-MRVPVSSYSA-N 188.202 0.292 50 10 ACGE CC(C)(CO[C@H]1C=CCC1)C(=O)NN 1893721926 FZZAFGPFRLJYMX-QMMMGPOBSA-N 198.266 0.738 50 10 ACGE NNC(=O)[C@@H]1C[C@@H]1CO[C@H]1C=CCC1 1893722398 LGQCTOLQNYLZOL-HRDYMLBCSA-N 196.250 0.348 50 10 ACGE COC(=O)[C@@H]1CC(C)(C)C[C@@]1(O)C#N 1901683911 FUCXBHQIVXDEQX-OIBJUYFYSA-N 197.234 0.850 50 10 ACGE O=CC=CC=CC(=O)O 1912006963 MGCBXZGOSMSZBJ-UHFFFAOYSA-N 126.111 0.382 50 10 ACGE CC(C)(CN)N1CC=C(C#N)CC1 1917091353 BKRHNIVYUSCKJB-UHFFFAOYSA-N 179.267 0.879 50 10 ACGE CCN(C)NC(=O)C1=CCCO1 1923513314 PYUHTFXAKQJIBP-UHFFFAOYSA-N 170.212 0.274 50 10 ACGE C[C@H](N=c1nc[nH]n1C)[C@@H](C)Cl 1930288158 UYETUUWJTYENMM-RITPCOANSA-N 188.662 0.665 50 10 ACGE O=C(Cl)N[C@@H]1[C@H]2CCOC[C@H]21 1930468596 YUJSYGIICVSEIX-KVQBGUIXSA-N 175.615 0.970 50 10 ACGE O=C(CCl)N[C@@H]1COC[C@@H]1F 1951338935 AFIWHEVGCRBTNF-CRCLSJGQSA-N 181.594 0.078 50 10 ACGE C[C@@H]([C@@H](O)CCl)S(C)(=O)=O 1951656537 CTHVJJORQFBXDV-WHFBIAKZSA-N 186.660 0.019 50 10 ACGE COc1cccnc1C[C@@H](O)C#N 1951730969 IAFVZAFSAUYODO-SSDOTTSWSA-N 178.191 0.517 50 10 ACGE CC(C)Cn1nccc1C[C@@H](O)C#N 1952126067 YVNOEDOXZWRSCC-SNVBAGLBSA-N 193.250 0.966 50 10 ACGE CC(F)(F)C[C@H](O)C#N 1952126548 DKMMSARAGLMCIF-BYPYZUCNSA-N 135.113 0.916 50 10 ACGE N#C[C@H](O)[C@H](N)c1ccc(F)c(O)c1 1952841710 VQKABGXLWLOQOZ-DTWKUNHWSA-N 196.181 0.416 50 10 ACGE CO[C@@H](CCCl)C(=O)O 1953141901 GWGCJFGACLINKB-BYPYZUCNSA-N 152.577 0.715 50 10 ACGE O=CC=Cc1ccno1 1953147652 CWZGJHXYBLVSJI-UHFFFAOYSA-N 123.111 0.887 50 10 ACGE Cc1cnc(CN=C=O)o1 1953180812 ZZYDODOMQRGLBK-UHFFFAOYSA-N 138.126 0.819 50 10 ACGE Cn1[nH]cnc1=N[C@@H]1C[C@H]1CCl 1953440063 ZTPOZCOMZXXXLU-NTSWFWBYSA-N 186.646 0.276 50 10 ACGE C[C@@H]1CCN(CCCl)[C@H]1C(N)=O 1953618681 UYVXSIBABFJTJK-RNFRBKRXSA-N 190.674 0.421 50 10 ACGE N#C[C@H](Cl)CN1CC2(CNC2)C1 1953770174 HKCCSJPSOYCCDE-ZETCQYMHSA-N 185.658 0.023 50 10 ACGE NC1(B(O)O)C[C@H]2CC=CC[C@@H]2C1 1954488638 PPLOVLNAFUYUGJ-HTQZYQBOSA-N 181.044 0.072 50 10 ACGE C[C@H]1CC[C@@H]1N(C)CCC(=O)NN 1954600486 WJSDWFSUMHBXHZ-YUMQZZPRSA-N 185.271 0.097 50 10 ACGE C#CCN(CC#C)CCOCCCl 1954820265 FFJOBYLKDAATAJ-UHFFFAOYSA-N 199.681 0.810 50 10 ACGE CN(C(=O)NN)C1C[C@@H]2C[C@H]2C1 2209086927 KSJUVWFLCOQJML-WDSKDSINSA-N 169.228 0.300 50 10 ACGE CC[C@H](C)CNC(=O)C1(B(O)O)CC1 2241481999 YNTUXRJAOCFXNN-ZETCQYMHSA-N 199.059 0.156 50 10 ACGE C=C[C@H](C)OCC(=C)B(O)O 2241694543 DPBJTEGXIZXEIE-ZETCQYMHSA-N 155.990 0.146 50 10 ACGE O=C(F)c1nnn2c1CCCC2 2242180551 CZCPFWPGQRYPJY-UHFFFAOYSA-N 169.159 0.724 50 10 ACGE N[C@H](CCl)[C@H]1CCN[C@@H]2CC[C@H]12 2297085339 LAXUTKQJBDRTCU-JQCXWYLXSA-N 188.702 0.941 50 10 ACGE OCc1cnc(CCl)nc1 35322982 ADLBPGXKVYLTRD-UHFFFAOYSA-N 158.588 0.708 50 10 ACGE O=C(c1cc[nH]n1)N1CC[C@H](Cl)C1 71082301 AENDRYCXNFKYCL-LURJTMIESA-N 199.641 0.863 50 10 ACGE NNC(=O)c1nc2cccnc2s1 75848549 DQLPFFPWNCXTTA-UHFFFAOYSA-N 194.219 0.295 50 10 ACGE CC(N)=C(C#N)C#N 104562535 RARBUZWPZHQBHW-UHFFFAOYSA-N 107.116 0.266 50 10 ACGE CCO/C(=C/C#N)NC 104688626 WWNBUBNALRCOHS-GQCTYLIASA-N 126.159 0.607 50 10 ACGE CC1(C)OC[C@@H]([C@H](O)/C=C/C#N)O1 143648424 ZKWJCLCEQVGEMO-ZGNIKFQOSA-N 183.207 0.579 50 10 ACGE COC(=O)c1ccc(N=C=O)nn1 166576444 RHNVOWNNSXONSN-UHFFFAOYSA-N 179.135 0.231 50 10 ACGE COC[C@@H](Cl)CO 196294441 QOZPRKWNRBCPLC-BYPYZUCNSA-N 124.567 0.233 50 10 ACGE N#C/C=C\[C@@H](Cl)CO 201393783 CAINJRSVVCVHDE-HVBDUXJMSA-N 131.562 0.666 50 10 ACGE NC(=O)N/N=C\C1CCCC1 217016883 CKBVDRTTYSXMRT-UITAMQMPSA-N 155.201 0.831 50 10 ACGE CCCN/C(N)=C(/C#N)C(=O)OCC 220090536 FIDFXNWEWDNCNC-FPLPWBNLSA-N 197.238 0.243 50 10 ACGE CC(C)Cc1cc(B(O)O)cc(F)n1 238169805 NREWSJXSRKWKLQ-UHFFFAOYSA-N 197.018 0.099 50 10 ACGE OB(O)c1[nH]c2ccccc2c1Cl 238639774 ZPVZWHHWNSHGOQ-UHFFFAOYSA-N 195.414 0.501 50 10 ACGE O=C/C=C/[C@H]1CCNC1 259193297 ITRXMEINDCIYNP-HIXXPVPXSA-N 125.171 0.351 50 10 ACGE CN[C@H](Cl)[C@@H]1CCN(C)C1 259382536 VXRIGUCOQNWHNF-RQJHMYQMSA-N 162.664 0.722 50 10 ACGE [C-]#[N+]C1(CC(=O)OCC)CCNCC1 260586073 IDGVRYFSFGHWBP-UHFFFAOYSA-N 196.250 0.981 50 10 ACGE COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1N=C=O 306344654 OGTCKWVPQDDPBO-RBXMUDONSA-N 193.202 0.686 50 10 ACGE NNC(=O)[C@@H]1CCCC1(F)F 306862182 HXSBNMXJHBJDAR-BYPYZUCNSA-N 164.155 0.412 50 10 ACGE C[C@@]1(N=C=O)C[C@@H]1F 307100559 XUWWEWYWXSKJHR-CRCLSJGQSA-N 115.107 0.823 50 10 ACGE CSC/C(S)=C(\C#N)C(N)=O 307428344 UCJOHEXLIWDLQG-PLNGDYQASA-N 188.277 0.542 50 10 ACGE CC1(C)C[C@H](N=C=O)CO1 307639661 CLAJQUPTACZUPM-LURJTMIESA-N 141.170 0.890 50 10 ACGE COCC1(CN=C=O)CC1 307714715 DQGZILPLBYTLFS-UHFFFAOYSA-N 141.170 0.749 50 10 ACGE CC(=O)NNC(=O)C[C@H](C)C(C)C 308336901 OMGJEUHRWHZKNX-ZETCQYMHSA-N 186.255 0.836 50 10 ACGE 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C[C@H]1C[C@@H]1N(C)CC1(C(=O)NN)CC1 1957005405 LXBMANUVCGIBLM-YUMQZZPRSA-N 197.282 0.097 50 10 ACGE COCCCCSCC(=O)NN 2241958251 WJIAPRPRTGSIIV-UHFFFAOYSA-N 192.284 0.136 50 10 ACGE COC(=O)/C(F)=C(/F)C#N 39274692 NJCXFMROGXIFAM-ARJAWSKDSA-N 147.080 0.834 50 10 ACGE CC(C)CCN[C@@H](C)CC(=O)NN 58848200 IBFSNHKOBMIBQS-QMMMGPOBSA-N 187.287 0.391 50 10 ACGE C[C@H](Cl)C(=O)N1CCCOCC1 61918708 POVSVSNKOUZLGI-ZETCQYMHSA-N 191.658 0.863 50 10 ACGE C=CCN(CC=C)CCCC(=O)NN 82470980 SBKBINSKXXABCZ-UHFFFAOYSA-N 197.282 0.431 50 10 ACGE CC(C)c1nccn1[C@@H](C)C(=O)NN 82471308 MVSSQUHJRVEQMT-ZETCQYMHSA-N 196.254 0.557 50 10 ACGE Cn1ccc(/C=N/NC(N)=O)c1 85604818 OLGJENSYMRUBOM-RUDMXATFSA-N 166.184 0.027 50 10 ACGE C[C@H](C(=O)NN)[C@H](C)n1cccn1 86313760 YBVADHNTLBSOGB-BQBZGAKWSA-N 182.227 0.070 50 10 ACGE C[C@@H]1OCC[C@@H]1C(=O)NCCCl 86758509 OROGSBQVXPTPTC-BQBZGAKWSA-N 191.658 0.766 50 10 ACGE Cc1cccc([C@H](O)C#N)n1 100189427 DPWGEYXLGQZJSD-MRVPVSSYSA-N 148.165 0.947 50 10 ACGE C#C[C@](C)(O)CCCl 104722074 XTRGTTNGYQPQGJ-LURJTMIESA-N 132.590 1.000 50 10 ACGE [C-]#[N+]CCc1cncnc1O 106564432 GPBYFTLKYAEYQY-UHFFFAOYSA-N 149.153 0.644 50 10 ACGE C[C@@H](CC(=O)O)CC(=O)NN(C)C 134001952 DPRFBAPKQZQBHO-ZCFIWIBFSA-N 188.227 0.080 50 10 ACGE C[C@]1(C(=O)O)C=CC(=O)C(C#N)=C1 137856195 SXHDHLYDGNZDHC-VIFPVBQESA-N 177.159 0.666 50 10 ACGE COC(=O)CC[C@@H](C)N=C=O 139807496 YORXZNDJHMSTRF-ZCFIWIBFSA-N 157.169 0.664 50 10 ACGE N#C[C@@H](O)c1cncs1 161488147 OQMIHAVUXPNWSS-SCSAIBSYSA-N 140.167 0.700 50 10 ACGE Cc1ccc([C@H](O)C#N)cn1 162309594 TZBRBLBLNXKWRU-MRVPVSSYSA-N 148.165 0.947 50 10 ACGE CSCC(N)=C(C#N)C#N 196705008 RBNQXDIYFYUHQT-UHFFFAOYSA-N 153.210 0.609 50 10 ACGE CSSCCNC=O 200179841 JHKJETZQQIXCAC-UHFFFAOYSA-N 151.256 0.744 50 10 ACGE CC(=O)C1=C(/C=C\C=O)COC1=O 211653428 ONYBWIZDNXWDBD-IHWYPQMZSA-N 180.159 0.184 50 10 ACGE C/C=C\C(C=O)=C\C(=O)O 212157633 AKFBAZVEVWLJOM-BXAWZMCCSA-N 140.138 0.772 50 10 ACGE CCCN/C=C(/C#N)C(=O)NC(C)C 217181727 MKEIJAYBENOBPB-CLFYSBASSA-N 195.266 0.918 50 10 ACGE C[C@@H]1CCC[C@H]1C(=O)NNC(N)=O 226744039 FARZCNVRSCEYDH-PHDIDXHHSA-N 185.227 0.122 50 10 ACGE C[C@@H](Cl)C(=O)NCc1cccnn1 235119368 CNBLDISQXOGBDC-ZCFIWIBFSA-N 199.641 0.720 50 10 ACGE CCSCC[C@@H]1NC(=O)OC1=O 238283472 FABNBDPQSGKETE-YFKPBYRVSA-N 189.236 0.765 50 10 ACGE CC[C@@H](Cl)CS(=O)(=O)O 238284388 YOJRIKUXZOQKPV-SCSAIBSYSA-N 172.633 0.892 50 10 ACGE CO[C@@H]1CCC[C@@H]1/C=N/NC(N)=O 238324461 ZPSOALXGPUHMLC-QKEOYLGBSA-N 185.227 0.456 50 10 ACGE CC(C)CC[C@H](N)C(=O)N(C)N 258964433 CKZJZMPAUVTVHE-ZETCQYMHSA-N 173.260 0.082 50 10 ACGE C[C@H]1COCC(C)(C)[C@@]1(O)C#N 260912266 JMNRPTMRLQRUOX-IONNQARKSA-N 169.224 0.934 50 10 ACGE C[C@@H]1CC([C@H](O)C#N)C[C@@H](C)N1C 260973998 UJHRUYWITBWKDL-NQMVMOMDSA-N 182.267 0.990 50 10 ACGE O[C@@H]1[C@H](Cl)C=C[C@@H]2O[C@@H]21 306750507 JARBMUJEJIHUFK-MOJAZDJTSA-N 146.573 0.292 50 10 ACGE NNC(=O)C1[C@H]2CC=CC[C@H]12 306834518 PXWRTTCFMMQTNJ-WDSKDSINSA-N 152.197 0.189 50 10 ACGE CCO[C@@H]1C[C@@H]1NC=C(C#N)C#N 307204366 FTVHTDJAYCILES-DTWKUNHWSA-N 177.207 0.684 50 10 ACGE C=CCC#Cc1ccccc1B(O)O 307321721 QTGYFOMKXFKNTD-UHFFFAOYSA-N 186.019 0.294 50 10 ACGE CCC=N/C(C#N)=C(\N)C#N 307781193 ZCDLNPDOGYQWHG-NOLYKBLBSA-N 148.169 0.685 50 10 ACGE CCC1(C=NNC(=O)OC)COC1 308238038 ROOLSWWPWUORQW-UHFFFAOYSA-N 186.211 0.755 50 10 ACGE Cn1ncc(CNCCCCl)n1 379322781 LDXBTPZYRDJSJS-UHFFFAOYSA-N 188.662 0.534 50 10 ACGE CC(C)[C@@H](CO)CNC(=O)CCl 394010129 VSDVHZVYRMRTPD-SSDOTTSWSA-N 193.674 0.606 50 10 ACGE O=C(CCl)NCCC1(CO)CC1 395859154 LSXFIWUJEJXBII-UHFFFAOYSA-N 191.658 0.504 50 10 ACGE O=S(=O)(CCCl)[C@@H]1CCOC1 575467667 YPGZCDZSFYVGHP-ZCFIWIBFSA-N 198.671 0.429 50 10 ACGE COC(=N)[C@@H](Cl)C[N+](=O)[O-] 687807625 JCYYBIHQGVIJEO-VKHMYHEASA-N 166.564 0.494 50 10 ACGE CNNC(=O)C[C@@H](C)C(F)(F)F 705548831 PFQJAFQDEPQFRS-SCSAIBSYSA-N 184.161 0.826 50 10 ACGE C#CC[C@H](CO)NC(=O)[C@H](C)Cl 717763905 ZBSRCJMVHFJBKT-NKWVEPMBSA-N 189.642 0.114 50 10 ACGE C[C@@]12C[C@@H](CO1)N(C(=O)CCl)C2 885553809 CFOUNYCAOCDQDE-XPUUQOCRSA-N 189.642 0.615 50 10 ACGE C[C@@H]1[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]1C 1857778979 YFXXQXCWRNTCCY-FBXFSONDSA-N 154.165 0.588 50 10 ACGE N[C@@H]1COC[C@@H]1CCCl 1879967334 NHAKIGCYTIPXQL-NTSWFWBYSA-N 149.621 0.589 50 10 ACGE CC(C)[C@H](CN)[C@H](N)CCl 1880024513 ICPNZRCZOHKFRV-NKWVEPMBSA-N 164.680 0.783 50 10 ACGE O=C(F)NC[C@H](O)C(F)F 1880056070 SPSNZZHNVODGSW-REOHCLBHSA-N 157.091 0.292 50 10 ACGE C[C@H](N)C[C@@H](C)NC(=O)F 1880056367 XLWLMMFZJYKECC-CRCLSJGQSA-N 148.181 0.791 50 10 ACGE CN(N)C(=O)CCP(C)(C)=O 1880188271 STGXZJKFMYZKFV-UHFFFAOYSA-N 178.172 0.331 50 10 ACGE CC1(C)CN[C@H]1CNC(=O)F 1880309998 XCPUDFNAMVKHSG-YFKPBYRVSA-N 160.192 0.664 50 10 ACGE O=C(F)N1CCC[S@](=O)CC1 1880312369 IZEXPYQFBHDDRI-NSHDSACASA-N 179.216 0.530 50 10 ACGE C[C@H]1C[C@@H](O)CCN1C(=O)F 1880317453 XWBDRYUUMYVPRD-WDSKDSINSA-N 161.176 0.921 50 10 ACGE OC[C@H](O)CSC[C@H]1C[C@@H]1Cl 1880437301 YFWHBIQLNUBPMA-VQVTYTSYSA-N 196.699 0.700 50 10 ACGE C#C[C@H](C)NC(=O)[C@H]1C[C@@H]1Cl 1880449706 GCRLMHAULKFUDZ-ACZMJKKPSA-N 171.627 0.752 50 10 ACGE C[C@H]1CN(C(=O)F)C[C@@H]1N(C)C 1881051268 KSOAVDUWMBQYIB-BQBZGAKWSA-N 174.219 0.958 50 10 ACGE O=C(F)NC[C@H]1CCCC(=O)N1 1881053729 SMGKGYNCTQSCLM-RXMQYKEDSA-N 174.175 0.334 50 10 ACGE CN1C[C@H](N(C)C(=O)Cl)CC1=O 1881070567 AQVXBDWYDCWTCF-RXMQYKEDSA-N 190.630 0.508 50 10 ACGE CN(C)CCONC[C@@H]1C[C@@H]1Cl 1881374286 RNWXHCOVRUEYJZ-YUMQZZPRSA-N 192.690 0.697 50 10 ACGE O=C(N[C@H]1C[C@H](O)C1)[C@@H]1C[C@@H]1Cl 1881400284 KNMJNAUTWWGTKW-GBNDHIKLSA-N 189.642 0.253 50 10 ACGE O=C(NCC1(O)CC1)[C@H]1C[C@H]1Cl 1881401808 VCBVFQMWQGYNSJ-NTSWFWBYSA-N 189.642 0.255 50 10 ACGE C[C@@H](O)C(=O)NCC1CC(Cl)C1 1881403157 FVOLCBGWZYADGH-GRQBKTHUSA-N 191.658 0.501 50 10 ACGE CC[C@H]1C[C@@H]1CN(C)C(=O)NN 1881491883 YIVFSAJDMCTQBZ-NKWVEPMBSA-N 171.244 0.548 50 10 ACGE C[C@H](Cl)C(=O)NCc1cncnc1 1882134168 FAHPMFSGAROIQE-LURJTMIESA-N 199.641 0.720 50 10 ACGE CN(C(=O)NN)[C@@H]1C[C@@H]2CC[C@@H]2C1 1883022106 VWYMMMVVBMFKGU-JIGDXULJSA-N 183.255 0.690 50 10 ACGE O=C=NC(=O)O[C@H]1CCOC[C@H]1F 1883650560 KILFVDWRWFISNR-RITPCOANSA-N 189.142 0.586 50 10 ACGE CCCN(CCC)NC(=O)C1CNC1 1889782461 ULEWBRNRSPKACK-UHFFFAOYSA-N 199.298 0.359 50 10 ACGE N#C[C@H](O)[C@H]1CC2CC1C2 1890402832 ZZBCACQORDMSHX-GHNGIAPOSA-N 137.182 0.917 50 10 ACGE CC(C)CCN1CC[C@@](C)(B(O)O)C1 1891585943 OARDAIRAWGIEQD-SNVBAGLBSA-N 199.103 0.971 50 10 ACGE CCN(C)C[C@@](C)(CC)C(=O)NN 1891977491 NEFRWUJDHQAXJL-SECBINFHSA-N 187.287 0.344 50 10 ACGE CS[C@H]1CC[C@]12CC(=O)OC2=O 1893750064 AHSWRLKVDQCPJO-XNCJUZBTSA-N 186.232 0.972 50 10 ACGE C=C(CN1CCC[C@H]1C1CC1)B(O)O 1895148977 MWDGZVHEWKVFHJ-JTQLQIEISA-N 195.071 0.429 50 10 ACGE C=C(CN1C[C@H](C)[C@H](C)[C@H]1C)B(O)O 1895237712 BSMJPYVEALVYCM-UJNFCWOMSA-N 197.087 0.531 50 10 ACGE N#CC=C1CC(=O)N2CCC[C@H]12 1911589865 YXAPQMKEPOXABD-MRVPVSSYSA-N 162.192 0.831 50 10 ACGE CS(=O)(=O)CC=CC#N 1912209344 MVQFRIPBGHQHPW-UHFFFAOYSA-N 145.183 0.111 50 10 ACGE NC1(B(O)O)CC2(CCCCC2)C1 1912723369 CDAGTPILPFKTOU-UHFFFAOYSA-N 183.060 0.440 50 10 ACGE CCN(C)NC(=O)[C@@H](C)CF 1923524361 YZEWKBIRZSJRQK-LURJTMIESA-N 162.208 0.575 50 10 ACGE CC(C)NNC(=O)C12CC(C1)C2 1923695970 GCCHVLMWBVMCMX-UHFFFAOYSA-N 168.240 0.816 50 10 ACGE CCOC(=O)C(C#N)=C1CNC[C@H]1C 1926098755 MVOGSUFORFLAOJ-SSDOTTSWSA-N 194.234 0.609 50 10 ACGE O=C(NNCCO)[C@@]12CCCC[C@H]1C2 1929835050 MAANIUJBEHBYCH-WCBMZHEXSA-N 198.266 0.180 50 10 ACGE CN1C[C@@H]2[C@@H](CC[C@]2(O)C#N)C1 1931666651 GJVIRXIODJKXGP-YIZRAAEISA-N 166.224 0.213 50 10 ACGE C#CCN(C)CCBr 1932432323 WAKFMWGDWOMAIR-UHFFFAOYSA-N 176.057 0.946 50 10 ACGE C[C@H](Cl)C(=O)N1CC[C@]1(C)CO 1932957526 LGAGXPRMEVGRRT-POYBYMJQSA-N 191.658 0.597 50 10 ACGE CC1CC(S(=O)(=O)N=C=O)C1 1933183244 XBOLZDLEQFHOGV-UHFFFAOYSA-N 175.209 0.451 50 10 ACGE Cc1cc([C@H](O)C#N)no1 1951371284 NGMWOPBVDGBUTG-ZCFIWIBFSA-N 138.126 0.540 50 10 ACGE N#C[C@H](O)Cc1cnn2ccccc12 1952126111 ZGGUKCYCWPQMPJ-SECBINFHSA-N 187.202 0.761 50 10 ACGE C[C@@H](Cc1cn[nH]c1)N=C=O 1952268446 VQOIMIGZUQYMLV-LURJTMIESA-N 151.169 0.677 50 10 ACGE C[C@@H]1CC(=O)N1C(=O)CCl 1953158002 NLWSDGQFDBOLBW-SCSAIBSYSA-N 161.588 0.373 50 10 ACGE N#C[C@@H](O)[C@@H]1C[C@H]2CC[C@@H]1O2 1953291882 KABLMHNDDGUEAF-CWKFCGSDSA-N 153.181 0.438 50 10 ACGE CO[C@@H]1CC(=O)N(CCCCl)C1 1953419834 QDPUKNVHECEPIZ-SSDOTTSWSA-N 191.658 0.863 50 10 ACGE C[C@@H](Cl)C(=O)N[C@H]1[C@H]2COC[C@H]21 1953754106 HUYJVIGYOXPVTD-MVIOUDGNSA-N 189.642 0.375 50 10 ACGE CCc1cc(OC)c(F)c(B(O)O)c1 2060034916 XORHLBNIQSEQSH-UHFFFAOYSA-N 198.002 0.077 50 10 ACGE CO[C@@H](CN)CCl 2242427041 VTIUIMKBKDWMII-SCSAIBSYSA-N 123.583 0.199 50 10 ACGE O=S(=O)(CCl)OCCF 1572835 SLKYDPAHYGCLMG-UHFFFAOYSA-N 176.596 0.499 50 10 ACGE COC(=O)[C@@H]1OCC[C@H]1CCl 34075937 FDKUOKZUTNCFMV-NTSWFWBYSA-N 178.615 0.803 50 10 ACGE CN1CCC=C(C=O)C1 34552881 WALFLLBWKGDRMC-UHFFFAOYSA-N 125.171 0.447 50 10 ACGE O=C(CCl)N[C@@H]1CCC[C@H](O)C1 36999872 FBZAFXAFDCKUDM-RQJHMYQMSA-N 191.658 0.645 50 10 ACGE CC(CO)(CO)CCl 39424483 OZOIZHOXUSCSTC-UHFFFAOYSA-N 138.594 0.216 50 10 ACGE C[C@H](CCC(=O)NN)OC(C)(C)C 82464567 KQXIUBQPFWMDIG-SSDOTTSWSA-N 188.271 0.960 50 10 ACGE C=CCCO[C@H](C(=O)NN)C(C)C 82464593 QRTUMUYTQSDTPT-QMMMGPOBSA-N 186.255 0.594 50 10 ACGE Cn1ccc(-n2cc(CCl)nn2)n1 86782097 VPWZXCGDWUOCSF-UHFFFAOYSA-N 197.629 0.740 50 10 ACGE CCOC(=O)[C@@H](Cl)[C@@H](O)CC 90461676 FMQZXQLKFZJTPZ-WDSKDSINSA-N 180.631 0.928 50 10 ACGE N#C/C=C(/N)C(F)(F)F 100305431 KPJCZLYKGPDZAX-HNQUOIGGSA-N 136.076 0.915 50 10 ACGE CC1=C[C@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]12 103538033 ABLZFGJUWCADOK-MVIOUDGNSA-N 180.159 0.030 50 10 ACGE ClC[C@@H]1ON2CCCON12 104711155 KIMMXZBSUCGOCZ-YFKPBYRVSA-N 164.592 0.351 50 10 ACGE COCCOCOCCCl 104729935 MHWCHFWQBBGXEW-UHFFFAOYSA-N 168.620 0.862 50 10 ACGE CN(C)NC(=O)c1ccnc(Cl)c1 105950896 JPGKOCMBXVSQSN-UHFFFAOYSA-N 199.641 0.941 50 10 ACGE CN(C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(=O)NN 110890433 NFCYZDUBDMGHJU-HLTSFMKQSA-N 197.282 0.938 50 10 ACGE C/C=C(/C#N)C(=O)O 112967745 SAADORAEBXDJQA-RQOWECAXSA-N 111.100 0.541 50 10 ACGE C=CCOC[C@H](Cl)C(=O)O 132881110 CTHYTCRWKHRDGE-YFKPBYRVSA-N 164.588 0.881 50 10 ACGE 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238678257 SODUGQOVXHDCIM-RFZPGFLSSA-N 164.588 0.857 50 10 ACGE C=C(N=C=O)[C@@H]1CCCNC1 258269213 RVQMVMHVGPQANP-MRVPVSSYSA-N 152.197 0.836 50 10 ACGE CC(C)OCCCC(=O)NN(C)C 259008977 HUEUDCUAKOPXJX-UHFFFAOYSA-N 188.271 0.784 50 10 ACGE N#C[C@H](O)c1cc(O)ccc1C=O 260142130 MWZIDANFQZSZEM-VIFPVBQESA-N 177.159 0.762 50 10 ACGE COc1cccc(OC[C@H](O)C#N)c1 260694827 KGYMRXNTILFCTN-MRVPVSSYSA-N 193.202 0.958 50 10 ACGE O[C@H]1CC[C@H]2[C@H](Cl)CC[C@H]1N2O 306324389 OFNVLLJXTFYAHI-CWKFCGSDSA-N 191.658 0.971 50 10 ACGE C/C(=N/NC(N)=O)c1cc(C)on1 306339748 ZMFCUGRIJGLSJN-UITAMQMPSA-N 182.183 0.375 50 10 ACGE OCCCNCC(Cl)Cl 306485980 VGFIXGKTZDVFCE-UHFFFAOYSA-N 172.055 0.762 50 10 ACGE CC(C)[S@](=O)N=C=O 306659782 LYARHMTYSMHTBI-QMMMGPOBSA-N 133.172 0.394 50 10 ACGE C#CCONC/C=C/CCl 307313174 JWWPIVSFQCMWGY-ONEGZZNKSA-N 159.616 0.936 50 10 ACGE C[C@@H]1CC[C@H](C(=O)Cl)C(=O)N1 307460330 DVLWGNFADUJWBM-RFZPGFLSSA-N 175.615 0.667 50 10 ACGE C[C@H](Cl)C(=O)N1C[C@H](O)C[C@@H]1C 307620247 FKIKEIJBEDBOMP-LYFYHCNISA-N 191.658 0.595 50 10 ACGE CC[C@@H](C(=O)NN)N(C)C(C)(C)C 382150403 RKMCQRDJRHEAAU-ZETCQYMHSA-N 187.287 0.485 50 10 ACGE CC[C@@H](C)C(=NNC(N)=O)C(=O)O 383517203 SHTQZXZVVOBFSW-SCSAIBSYSA-N 187.199 0.141 50 10 ACGE C=C(C)/C=C(\CN=C=O)C(=O)OC 383684213 JKFAUVOSULUKTO-XBXARRHUSA-N 181.191 0.998 50 10 ACGE CCOC(=O)CC[C@@H](O)/C=C\C=O 383706324 BEMHXYUATOIYDA-VEMNSZJBSA-N 186.207 0.446 50 10 ACGE ClC(Cl)CN[C@H]1CCNC1 575521772 JXDNLKPFBVSYAZ-YFKPBYRVSA-N 183.082 0.742 50 10 ACGE NNC(=O)NCC1C[C@@H]2C[C@H]2C1 575528899 ROFWBUYZAPDVHA-RNFRBKRXSA-N 169.228 0.205 50 10 ACGE CNNC(=O)[C@@H]1Cc2ccccc21 606253734 JDMREMJVKNHANB-SECBINFHSA-N 176.219 0.577 50 10 ACGE COC1CC(/C=C(/C#N)C(=O)O)C1 642823735 WZFWSFSKYHNUGD-UQCOIBPSSA-N 181.191 0.946 50 10 ACGE ClCCc1cn(C2COC2)nn1 685945643 KZXQIYFLQXPKMO-UHFFFAOYSA-N 187.630 0.631 50 10 ACGE C#CCCNC(=O)OCCl 692900734 QUSYZEKFIOEPOR-UHFFFAOYSA-N 161.588 0.932 50 10 ACGE CN(N)C(=O)c1ccc(CO)cc1 704675750 CTXPSXSEGZSBQF-UHFFFAOYSA-N 180.207 0.125 50 10 ACGE CCOC1=C=C=C(C#N)NN1 885238366 ZNCBJNOMHDYMBT-UHFFFAOYSA-N 149.153 0.134 50 10 ACGE CC[C@@](C)(N)C(=O)NCCCl 1866113125 GDUHHMDLDPUHRR-SSDOTTSWSA-N 178.663 0.469 50 10 ACGE C[C@H](Cl)C(=O)N1C[C@@H]2C[C@H](C1)O2 1877566498 YAEKFCPTYFUIPT-LYFYHCNISA-N 189.642 0.613 50 10 ACGE C[C@@H](CN)[C@@H](N)CBr 1879945144 LFARZBCYMARDRD-WHFBIAKZSA-N 181.077 0.303 50 10 ACGE O=C(F)NCC=CCO 1879972710 ALZBJMVSBNKMSX-UHFFFAOYSA-N 133.122 0.214 50 10 ACGE O=C(F)N[C@H]1[C@@H]2C[C@@H]1CN2 1880055054 FBFJMIOPKJPILG-MROZADKFSA-N 144.149 0.026 50 10 ACGE CC1(C#N)CN(C(=O)F)C1 1880055925 QJISBRRFLGYMGM-UHFFFAOYSA-N 142.133 0.921 50 10 ACGE NC1(CNC(=O)F)CCC1 1880063885 JPHJOJAERIUQLY-UHFFFAOYSA-N 146.165 0.547 50 10 ACGE C[C@H]1[C@H](N)CCN1C(=O)F 1880065103 RJSSMQMEMHSJHL-CRCLSJGQSA-N 146.165 0.497 50 10 ACGE O=C(F)NC[C@H]1[C@@H]2COC[C@H]12 1880335219 DQARUTCTBKXNQO-STNDOWJSSA-N 159.160 0.558 50 10 ACGE O=C(NC1COC1)[C@H]1C[C@H]1Cl 1880451274 SVPRVUFYLHYSFI-NTSWFWBYSA-N 175.615 0.129 50 10 ACGE ClCCN1CCO[C@H]2COC[C@@H]21 1881220445 RYMRFAUFZHEQCY-YUMQZZPRSA-N 191.658 0.325 50 10 ACGE C[C@@H]1OCC[C@@H]1CC(=O)N=C=O 1881325997 CVZGVIXHXZQLMD-NKWVEPMBSA-N 169.180 0.664 50 10 ACGE NC[C@@H]1CC[C@@H]1NC[C@@H]1C[C@H]1Cl 1881366951 TVHHEOSLRBQBDF-MAUMQABQSA-N 188.702 0.941 50 10 ACGE ClCCOCC1COCCOC1 1881562911 OSZQHJOVBWPFSD-UHFFFAOYSA-N 194.658 0.905 50 10 ACGE O=c1[nH]ccnc1NCC#CCCl 1881919306 XWAVMKYHDWZXNA-UHFFFAOYSA-N 197.625 0.424 50 10 ACGE O=C(F)N[C@H]1CO[C@@]2(CCNC2)C1 1884007422 FPEMFDZRAYOTED-SVRRBLITSA-N 188.202 0.187 50 10 ACGE N[C@H](CCl)[C@H]1CCC2(CNC2)C1 1888648387 TYLVSHKVRORNIQ-JGVFFNPUSA-N 188.702 0.942 50 10 ACGE N#CC[C@H](O)CN1CC=C(C#N)CC1 1903921882 IANUTZWUVWHCKN-JTQLQIEISA-N 191.234 0.417 50 10 ACGE C[C@H](O[C@@H]1CCC[C@@H]2C[C@H]21)C(=O)NN 1906605940 YIXRRFDABPIHHO-JQCXWYLXSA-N 198.266 0.570 50 10 ACGE CC[C@H](O)C=CC=O 1911647131 JYTUBIHWMKQZRB-LURJTMIESA-N 114.144 0.512 50 10 ACGE Cn1ncnc1N1CC=C(C#N)CC1 1917069743 OIXCCGQRHMCENV-UHFFFAOYSA-N 189.222 0.475 50 10 ACGE ClCCCN=c1nncc[nH]1 1929020044 WAXRSIDLFRFFDZ-UHFFFAOYSA-N 172.619 0.334 50 10 ACGE CO[C@H]1CN(C)C[C@@H]1NC(=O)Cl 1931638372 PHRXFBZDLAKZPX-WDSKDSINSA-N 192.646 0.264 50 10 ACGE C#CCN[C@]1(CCl)CCOC1 1932438648 XVRZXNMCDIIMJY-QMMMGPOBSA-N 173.643 0.607 50 10 ACGE CN(C)C[C@@H](Cl)CC1CNC1 1934415549 ZEDXQBSDVJLXDY-QMMMGPOBSA-N 176.691 0.765 50 10 ACGE C[C@H](S)[C@@H](O)CCl 1951635091 JEYCHRUAMBBJTE-IMJSIDKUSA-N 140.635 0.904 50 10 ACGE CONC(=O)C[C@@H](C)Cl 1953145795 NJEVTCGHXVJTJJ-SCSAIBSYSA-N 151.593 0.681 50 10 ACGE COC1(C(=O)NCCCl)CCC1 1953392782 YXPBUGDBNPDNHS-UHFFFAOYSA-N 191.658 0.911 50 10 ACGE FCCN1C[C@@H](Cl)[C@@H]2COC[C@@H]21 1953459662 GMUNUJWHOUNHSW-RNJXMRFFSA-N 193.649 0.894 50 10 ACGE N#C[C@H](Cl)CN1C[C@H]2CC[C@]2(N)C1 1954216429 WNZDWIMDEXXRKR-VGMNWLOBSA-N 199.685 0.540 50 10 ACGE CC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1B(O)O 2241480086 HWXYQIQQNNKDEC-FXQIFTODSA-N 199.059 0.106 50 10 ACGE OB(O)C=Cc1cnn(C2CCC2)c1 2242595480 IQAZECSNUPMQNY-UHFFFAOYSA-N 192.027 0.633 50 10 ACGE CCCCC[C@](C)(O)C(=O)NN 2295349501 PCVNLHXVJVXJOQ-QMMMGPOBSA-N 174.244 0.308 50 10 ACGE O=C(F)N1[C@H]2CC[C@H](C2)[C@@H]1CO 2297160222 LFHOTHGBXDSMPC-VQVTYTSYSA-N 173.187 0.921 50 10 ACGE CCOC[C@@H](Br)CO 32210593 FXYFCEOFXNWEPI-YFKPBYRVSA-N 183.045 0.779 50 10 ACGE CCNC(=O)[C@H](Cl)[C@@H]1CCOC1 50980320 APROFFSETGDDMO-RNFRBKRXSA-N 191.658 0.766 50 10 ACGE CC[C@H]1C/C(=N\NC(N)=O)CCO1 70044331 GMLKCOSOZUTNJR-LOBLAWFCSA-N 185.227 0.600 50 10 ACGE CC(C)N(CCC(=O)NN)CC1CC1 82470652 CSCKPTQMFMKGAE-UHFFFAOYSA-N 199.298 0.487 50 10 ACGE CC(C)CS[C@H](C)C(=O)NN 82472238 SRQNMBOUGOXNPG-ZCFIWIBFSA-N 176.285 0.754 50 10 ACGE OCCN(C/C=C/CCl)CCO 82774195 WHKQGUJTPANXPM-OWOJBTEDSA-N 193.674 0.068 50 10 ACGE N#C[C@]1(O)C=C(O)C=C(O)C1 100206666 WKEVYESVHDSSQS-ZETCQYMHSA-N 153.137 0.529 50 10 ACGE OC[C@H](CCl)n1cccn1 104686131 NMSIPEOSWUIAFJ-LURJTMIESA-N 160.604 0.655 50 10 ACGE COc1cc(N=C=O)ncn1 107455238 JQGAACIKJNDMEN-UHFFFAOYSA-N 151.125 0.453 50 10 ACGE NNC(=O)/C=C/c1cccc(O)c1 113873054 VJODKTCQQJKUDX-SNAWJCMRSA-N 178.191 0.395 50 10 ACGE CCO[C@@H](C)O[C@@H](C)[C@H](O)C#N 196113989 FRDSFWPZWQHTDA-XLPZGREQSA-N 173.212 0.658 50 10 ACGE OB(O)Cc1ccn(C2CCCC2)n1 203522847 MDPCLFVCCPQYRE-UHFFFAOYSA-N 194.043 0.553 50 10 ACGE CN/C(O)=C(/C#N)C(=O)NC(C)C 213748764 SQSFPXHTVTZDOB-VOTSOKGWSA-N 183.211 0.024 50 10 ACGE OCCSCCOCCCl 214266137 KAPUPHQNPMZAFG-UHFFFAOYSA-N 184.688 0.967 50 10 ACGE CC(=O)N[C@@H](CCCCl)C(=O)O 238109167 RKFOEXQPIQFANB-LURJTMIESA-N 193.630 0.595 50 10 ACGE CC(=O)c1ccc(CB(O)O)cc1 238140554 HPVFVCPMCFWDDT-UHFFFAOYSA-N 177.996 0.444 50 10 ACGE CCCC1=C(C#N)[C@H](O)CC1=O 238199569 QYGROVLTVRWKAP-SECBINFHSA-N 165.192 0.940 50 10 ACGE CC[C@H](C)c1cc(B(O)O)cc(F)n1 238278288 DJZJLYGHTRWJQQ-LURJTMIESA-N 197.018 0.414 50 10 ACGE C[C@@H]1OC(=O)[C@H](Br)C1=O 238404857 PVTLFAXATWVOGG-STHAYSLISA-N 192.996 0.264 50 10 ACGE Cc1cc(NNC(N)=O)cc(C)n1 238464178 QZPFOFJHIYWILV-UHFFFAOYSA-N 180.211 0.694 50 10 ACGE O=S1OCC(Cl)CO1 238511616 XCPCYXJXTUMZMF-UHFFFAOYSA-N 156.590 0.219 50 10 ACGE O=C1C=C2C(=CCO[C@H]2Cl)O1 238565088 ZIMOLBPXBAYKEU-SSDOTTSWSA-N 172.567 0.949 50 10 ACGE O[C@@H]1CC=C[C@@H]1Cl 238712268 ILTSHCHKZYVITF-CRCLSJGQSA-N 118.563 0.915 50 10 ACGE CN(CCC1CCC1)C(=O)NN 258673813 DAEULDQWWVWPNV-UHFFFAOYSA-N 171.244 0.692 50 10 ACGE C[C@@](O)(C#N)c1cnc2cnccn12 259677446 LUDLIMCNRVFLCY-SECBINFHSA-N 188.190 0.460 50 10 ACGE Cc1nccn1C[C@](C)(O)C#N 260275674 ZZFQHJKPIBCZJS-MRVPVSSYSA-N 165.196 0.466 50 10 ACGE CC1=C(C=O)C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2O1 306331861 CSSPOSWRYYDSDN-DOLQZWNJSA-N 190.198 0.654 50 10 ACGE OB(O)[C@@H]1C[C@H]2C=C[C@H]1CC2 306382696 PPPOOMAGHRBWQX-BIIVOSGPSA-N 152.002 0.816 50 10 ACGE O=C1C[C@H](Br)[C@H](F)CN1 306433850 YCJXCTKIPVDIGF-IUYQGCFVSA-N 196.019 0.608 50 10 ACGE NC(=O)N/N=C1/C[C@H]2C=C[C@@H]1C2 306605418 PPTWARSMRXTUIF-MZWUOHRUSA-N 165.196 0.607 50 10 ACGE CC[C@@H]1C[C@@H](C)CN1[C@H](C)C(=O)NN 306866738 OLHIIWMSCJLLOW-IWSPIJDZSA-N 199.298 0.485 50 10 ACGE CCC(C)(C)C(=O)NNC=O 307508053 BSOPZBAIQYMVNH-UHFFFAOYSA-N 158.201 0.200 50 10 ACGE CC(CCCCCO)=NNC(N)=O 308027381 YPAZQKHUGFZYTO-UHFFFAOYSA-N 187.243 0.583 50 10 ACGE CCC[C@H](C[C@H](C)O)C(=O)NN 319678590 HWIAKTODBLZNJU-NKWVEPMBSA-N 174.244 0.164 50 10 ACGE C[C@@H]1C(=NNC(N)=O)CC[C@H]1C#N 379340053 PKFJJHPMTFNXIP-WDSKDSINSA-N 180.211 0.580 50 10 ACGE CC(C)(C)C(=O)C=NNC(N)=O 383470594 BIRMXZQQYPDSAU-UHFFFAOYSA-N 171.200 0.256 50 10 ACGE CN1C(=O)/C(=C/O)C(C=O)=C1Cl 383914992 BHVAEDUVZVJYIH-HWKANZROSA-N 187.582 0.550 50 10 ACGE C[C@@H](C(=O)NN)N1CCCC[C@@H](C)C1 606274926 UKDWVXVXGBUXGB-BDAKNGLRSA-N 199.298 0.487 50 10 ACGE CN(CCCF)C[C@@H](Cl)C(=O)O 714939738 FUGUMABWIDMBHP-ZCFIWIBFSA-N 197.637 0.970 50 10 ACGE C[C@@H](C(=O)NN)N(C)CC1(C)CCC1 720841823 WAGSQOWGHIPJKV-QMMMGPOBSA-N 199.298 0.487 50 10 ACGE C[C@H]1[C@@H](CN2CC(C)(O)C2)[C@@H]1Cl 894830252 HUACCNCQSXKHDK-XLPZGREQSA-N 189.686 0.926 50 10 ACGE Cn1cnc(Cl)c1CCN=C=O 1536187282 DZJVJQPZSJDCCI-UHFFFAOYSA-N 185.614 0.952 50 10 ACGE [C-]#[N+][C@H](C)[C@@H]1CCS(=O)(=O)C1 1536214291 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196.000 0.468 50 10 ACGE CO[C@@H](C)C=NNC(=O)C1CCC1 393447930 CGEYOJIPOKSHJA-ZETCQYMHSA-N 184.239 0.923 50 10 ACGE CN(CCCCl)CC[S@@](C)=O 398862659 ZANOLCVMIJBMHS-LLVKDONJSA-N 197.731 0.926 50 10 ACGE CC(C)C[C@H](S)C(=O)NN 575535995 DPEBLEKYAGWOIG-YFKPBYRVSA-N 162.258 0.321 50 10 ACGE CC[C@H]1C[C@@](C#N)(N=C=O)CO1 575590571 XHNMHPCDOJISAU-YUMQZZPRSA-N 166.180 0.783 50 10 ACGE C[C@@](O)(C#N)[C@@H]1CCCCO1 606245385 ZIWICDUBSUCCRR-JGVFFNPUSA-N 155.197 0.830 50 10 ACGE CNNC(=O)c1cncc(F)c1 606250378 LCAXPSRXWCSLCE-UHFFFAOYSA-N 169.159 0.085 50 10 ACGE C[C@@H]1CCCCN(CC(=O)NN)C1 606257958 OVTLPMSGHQXULI-MRVPVSSYSA-N 185.271 0.098 50 10 ACGE C[C@H]1CN(C)C[C@H](CN=C=S)O1 606260014 PWJUFRVFMVMTEZ-YUMQZZPRSA-N 186.280 0.808 50 10 ACGE N#C[C@H](Cl)[C@H](Cl)[N+](=O)[O-] 687728688 YCOYLKVLNJEYSO-STHAYSLISA-N 168.967 0.959 50 10 ACGE C=C/C(C)=C\CC(=O)NN(C)C(N)=O 798302551 YFKOTIFSGCFKOJ-ALCCZGGFSA-N 197.238 0.551 50 10 ACGE CN(C1=C(CCl)NC#CN1)C1CC1 885889368 XAACGJMMYXEFTO-UHFFFAOYSA-N 197.669 0.600 50 10 ACGE CC(=O)N(C)NC(=O)C1CCC1 1858081506 POKPOPATFFJMAA-UHFFFAOYSA-N 170.212 0.296 50 10 ACGE NNC[C@H]1C[C@H]1Br 1879934338 TXGIJOUWTMSMAY-QWWZWVQMSA-N 165.034 0.233 50 10 ACGE N[C@H]1COCC[C@H]1CCCl 1880026695 WUHWKHCRYPRNJP-RQJHMYQMSA-N 163.648 0.979 50 10 ACGE NCCOCC1CC(Cl)C1 1880098538 JOHAIYMEQZVZIV-UHFFFAOYSA-N 163.648 0.979 50 10 ACGE C[C@H](Cl)C(=O)N1C[C@@H](O)[C@@H]1C 1880294384 VQRNLSSUYPKAPX-HCWXCVPCSA-N 177.631 0.205 50 10 ACGE N[C@H]1COC[C@H]1COC(=O)F 1880312093 FEMKGKRAPYJFST-WHFBIAKZSA-N 163.148 0.066 50 10 ACGE CO[C@@](C)(CN)CNC(=O)F 1880335222 DRNQEROSWWVXPN-LURJTMIESA-N 164.180 0.029 50 10 ACGE O=[S@](C[C@@H]1C[C@H]1Cl)C1CNC1 1880434699 SWRJHDLWPWBCMW-AODONOJDSA-N 193.699 0.334 50 10 ACGE CC[C@H](CN)NC[C@@H]1C[C@H]1Cl 1880434727 TZOBBJBETPGHCL-XLPZGREQSA-N 176.691 0.941 50 10 ACGE Cn1nncc1NCC#CCCl 1880676495 WWWBILHRADUJFR-UHFFFAOYSA-N 184.630 0.469 50 10 ACGE CC(C)(CSC1CC1)C(=O)NN 1880713461 FJUSBWUQIQVBBX-UHFFFAOYSA-N 188.296 0.898 50 10 ACGE 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CC(=NNC(N)=O)C1(F)CC1 1922348265 MOYDEGLJLGVPRU-UHFFFAOYSA-N 159.164 0.533 50 10 ACGE CC[C@@H](CS(C)(=O)=O)N=C=O 1928527935 XJKDYESMORMNFI-LURJTMIESA-N 177.225 0.145 50 10 ACGE CCON(CC)C[C@@H](O)CCl 1928624182 WDZXKZKPDDEZQE-ZETCQYMHSA-N 181.663 0.860 50 10 ACGE Cn1cnc(C[C@@H](Cl)C=O)n1 1929101427 FOSMHCMIDMMGEN-RXMQYKEDSA-N 173.603 0.164 50 10 ACGE CC(C)C[C@H]1CCN1CC(=O)NN 1929663096 HHLAKNUBCMDZBC-MRVPVSSYSA-N 185.271 0.097 50 10 ACGE C[C@@H](C(=O)NN)N1CC[C@@H]1C(C)(C)C 1932134318 LVYDCFNVUKJFNA-JGVFFNPUSA-N 199.298 0.485 50 10 ACGE N#C[C@@H](O)[C@H](CO)c1ccccc1 1951361740 XHVQFYXDKSBJIA-NXEZZACHSA-N 177.203 0.647 50 10 ACGE N#C[C@H](O)Cc1cncc(F)c1 1951723539 KTGDCKPEQBQPEY-MRVPVSSYSA-N 166.155 0.648 50 10 ACGE C#CCCCCB(O)O 1953143336 PILMTFVBTUJXHN-UHFFFAOYSA-N 125.964 0.263 50 10 ACGE CO[C@@H]1CNCC[C@H]1C(=O)CCl 1953447500 BTLRIOPRGUMZCL-POYBYMJQSA-N 191.658 0.419 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1CNCCOC1 1953450432 YDLQLNQJBUFBKH-NKWVEPMBSA-N 191.658 0.419 50 10 ACGE CNNC(=O)[C@@H]1CCS[C@@H](C)C1 1953491025 JVIFRWKJCUCIKP-NKWVEPMBSA-N 188.296 0.769 50 10 ACGE S=C=N[C@H]1CCn2ncnc2C1 1953649853 FVTKMPAYPKPSFO-LURJTMIESA-N 180.236 0.696 50 10 ACGE C[C@@H](Cl)C(=O)[C@]1(N)CCCOC1 1953669756 VXYAHGGTLCUMCM-SVRRBLITSA-N 191.658 0.691 50 10 ACGE C[C@H](Cl)CC(=O)N[C@@H]1C[C@H]1CO 1953763819 VGIJVJKFAOTDQQ-LYFYHCNISA-N 191.658 0.501 50 10 ACGE Cc1c(C=CC=O)cnn1C 2042434200 FGZMTZBAINRWIQ-UHFFFAOYSA-N 150.181 0.941 50 10 ACGE NNC(=O)c1coc(C(F)(F)F)c1 2059553722 QOXJHLXUEGZCBJ-UHFFFAOYSA-N 194.112 0.902 50 10 ACGE O=C(N=c1nc[nH]s1)OCCl 2208977204 BNZDDKKIRZPFBS-UHFFFAOYSA-N 193.615 0.705 50 10 ACGE CN(C[C@H]1CC[C@@H]1C(=O)NN)C1CC1 2209907247 SRDJCUKPMPCMEX-APPZFPTMSA-N 197.282 0.097 50 10 ACGE C[C@H]1[C@H](O)CCN1C[C@H](Cl)C#N 2242150710 OJEGTUWDWRGTBE-XLPZGREQSA-N 188.658 0.572 50 10 ACGE O=C(F)N[C@H]1C[C@@H]2CN[C@H]1C2 2297160356 VMWFZBRVGCLJQE-SRQIZXRXSA-N 158.176 0.416 50 10 ACGE CC1=NC(=O)[C@@H](Cl)C=C1[N+](=O)[O-] 2333294346 AILXLRMFSRPVTJ-BYPYZUCNSA-N 188.570 0.756 50 10 ACGE CO/C=C(\C#N)C(=O)OC 33834684 AGNUFSNBWSLFIN-SNAWJCMRSA-N 141.126 0.213 50 10 ACGE CC(C)(N)C#C[C@](C)(O)CCl 34135544 NONVTBBCYSOMDP-QMMMGPOBSA-N 175.659 0.717 50 10 ACGE CN1OC[C@@H](Br)C1=O 34363335 JJRBBJIIXZIKCD-GSVOUGTGSA-N 180.001 0.154 50 10 ACGE Cc1nc(/C=C/C(=O)NN)cs1 37389247 YTEJVQSQYQVVCD-NSCUHMNNSA-N 183.236 0.455 50 10 ACGE COC(=O)/C(C#N)=C1/N=NN(C)S1 75600310 UXOMZMDYHZKJPY-PLNGDYQASA-N 198.207 0.855 50 10 ACGE CC(C)C[C@@H](C)O[C@@H](C)C(=O)NN 82463882 JLKONPFXOZGBJR-SFYZADRCSA-N 188.271 0.816 50 10 ACGE C[C@]1(CN=C=O)CCCO1 87259393 ZRWRNYMYGMTDHU-SSDOTTSWSA-N 141.170 0.891 50 10 ACGE O=C1CCO[C@H]1Br 95931811 XVGXBMRKPQXCQJ-SCSAIBSYSA-N 164.986 0.697 50 10 ACGE CC(C)/C(=C\C#N)NN 104559805 PTXAKMNLDROQBR-ZZXKWVIFSA-N 125.175 0.513 50 10 ACGE CC(=O)N(C=O)CCCl 104688221 FFUGTRVVBSUXLF-UHFFFAOYSA-N 149.577 0.230 50 10 ACGE C#C[C@@H](C)NC(=O)[C@@H](C)CCl 166540354 TVUJBBUUSRDKNY-NKWVEPMBSA-N 173.643 0.999 50 10 ACGE N#C[C@@H](O)c1ccccc1C(=O)O 196478740 NZMRQFMIVXIPCL-MRVPVSSYSA-N 177.159 0.942 50 10 ACGE C/C(C=O)=C/C=C/N1CCOCC1 207773715 ZQFDETUDXAXAQG-WSZIPUFWSA-N 181.235 0.978 50 10 ACGE C[C@H]1C(=O)O[C@H]2C[C@@H](Cl)[C@H]1O2 211159318 BZZPOPTWRSQOKU-ZXXMMSQZSA-N 176.599 0.902 50 10 ACGE CCCCC#CC[C@@H](O)[C@@H](O)C#N 214443991 LRSZRKDNUHYHJY-ZJUUUORDSA-N 181.235 0.815 50 10 ACGE O=C/C=C\[C@H]1CCC(=O)O1 217569861 MGDPEFRLGBFRFH-UDIFJAKLSA-N 140.138 0.447 50 10 ACGE C[C@H]1C[C@@H](C)CN(C(=O)NN)[C@@H]1C 229471592 SWDSYLNXQXMFBV-GJMOJQLCSA-N 185.271 0.936 50 10 ACGE CCc1cc(C(=O)N=C=O)n(C)n1 234142333 IPECWUHEHIRKDS-UHFFFAOYSA-N 179.179 0.459 50 10 ACGE CCOC(=O)[C@@H](Cl)COC(C)=O 238249352 MIUDLMJTDHWXMS-LURJTMIESA-N 194.614 0.720 50 10 ACGE C=C[C@H](O)[C@H](Cl)C(=O)OCC 238249772 PLFCREDWYCUUFX-WDSKDSINSA-N 178.615 0.704 50 10 ACGE C[C@@H](OCCCl)n1ncnn1 238410445 LBOADCIESMLGIP-RXMQYKEDSA-N 176.607 0.447 50 10 ACGE C[C@H](C(=O)NN)N(C)[C@H](C)C1CC1 251501702 HPZUSZJQRGFEPG-RNFRBKRXSA-N 185.271 0.095 50 10 ACGE CC(C)N1C[C@@H]2C(=O)OC(=O)[C@@H]2[C@H]1C 253484195 FKOKQQXJPUFXFV-GJMOJQLCSA-N 197.234 0.415 50 10 ACGE CC(C)[C@@H]1N/C(=C/C=O)OC1=O 255991694 OCWUJSBIGSLEIV-NFNQMPKISA-N 169.180 0.198 50 10 ACGE N#C[C@@H](O)C1(C(=O)O)CCCC1 261312331 XQYFDIDQBOSAFS-ZCFIWIBFSA-N 169.180 0.516 50 10 ACGE CNC(=O)N/N=C/c1ccc[nH]1 306570124 MKKNQDGKLIVAHH-BJMVGYQFSA-N 166.184 0.278 50 10 ACGE C[C@@H](CC(=O)NN)N1CCC2(CC2)C1 307004432 FASZBVUIKFXBNS-QMMMGPOBSA-N 197.282 0.241 50 10 ACGE NNC(=O)c1ncc(Cl)s1 307122261 LAYXIPFEBBWCFI-UHFFFAOYSA-N 177.616 0.400 50 10 ACGE C[C@@H]1/C(=N\NC(N)=O)C[C@@H](C)[C@@H]1C#N 307157196 PHLIFGPSIUHYSR-BDVANMITSA-N 194.238 0.826 50 10 ACGE C[C@@H]1CCN([C@H](C)C(=O)NN)[C@@H]1C 307264303 BPXMYQIIAOPHRS-BWZBUEFSSA-N 185.271 0.095 50 10 ACGE Nc1ncc(CNCCCCl)o1 308077505 GPTFRUBUTAFVFO-UHFFFAOYSA-N 189.646 0.975 50 10 ACGE CC[C@H](C)C=NNC(=O)C(=O)OC 308251658 BJZXWXVWLBBNJV-LURJTMIESA-N 186.211 0.308 50 10 ACGE CC(=O)C/C=C(C)/C=N/NC(N)=O 382572035 PGMNOLQKAVPPCP-GKCARTHVSA-N 183.211 0.566 50 10 ACGE C[C@H](O)[C@@H](C)NC(=O)CCCCl 386914748 DCCJVELAQRWKMH-RQJHMYQMSA-N 193.674 0.891 50 10 ACGE CNNC(=O)[C@H]1COc2ccccc21 606264419 KCKQQVOERQHURK-QMMMGPOBSA-N 192.218 0.413 50 10 ACGE CCOC(=O)N1CCNC[C@@H]1Cl 616637047 PGWWYNCUYXMFRQ-ZCFIWIBFSA-N 192.646 0.613 50 10 ACGE O=[S@@](Cl)C[C@H]1CCOC1 675070045 ZYLKMANKLLFRQW-SSDLBLMSSA-N 168.645 0.925 50 10 ACGE COC(=O)[C@H](C)C[S@](=O)Cl 675071523 MXJLAMVVPLIYTK-KNODYTOMSA-N 184.644 0.698 50 10 ACGE CC1=C(C#N)[C@H](O)C=C[C@@]1(C)[N+](=O)[O-] 687757608 PUTHMMYXACZBIP-RKDXNWHRSA-N 194.190 0.793 50 10 ACGE COC[C@H](CNC(=O)Cl)OC 688942299 TWWXIRKFUBLBKS-YFKPBYRVSA-N 181.619 0.596 50 10 ACGE O=C1[C@@H]2[C@H](CN1CCCl)C2(F)F 715593426 IUXAUHHOLNVPRN-WHFBIAKZSA-N 195.596 0.949 50 10 ACGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NN 716528512 WDAMFMCCLHGKSU-BWBBJGPYSA-N 154.213 0.268 50 10 ACGE N#CSc1c[nH]nc1CN 718151646 YOHQPBLTNMCFEP-UHFFFAOYSA-N 154.198 0.442 50 10 ACGE S=C=NC[C@@H]1C[C@H]2COC[C@@H]2O1 724556836 PTUDEOYVYOSALT-FXQIFTODSA-N 185.248 0.893 50 10 ACGE O=S(=O)(CCl)N1CC(F)C1 1260927704 XPYVULLBCHGPGK-UHFFFAOYSA-N 187.623 0.166 50 10 ACGE C[C@@H](N=C=O)c1c([N+](=O)[O-])cnn1C 1535830667 XAQXEFFEPCFHNY-RXMQYKEDSA-N 196.166 0.725 50 10 ACGE CC1(CCN=C=O)OCCO1 1857786925 ORQZJANKFKDAHL-UHFFFAOYSA-N 157.169 0.475 50 10 ACGE O=C(F)CC1COC1 1879944540 AZZSYYSMPFIQCB-UHFFFAOYSA-N 118.107 0.519 50 10 ACGE O=C=NC(=O)[C@@H]1C[C@@H]1F 1879953393 YTIJXCBTFZCDMB-DMTCNVIQSA-N 129.090 0.207 50 10 ACGE C[C@H](CCN)NC(=O)F 1879974603 ZVZNDCMQOFTAGD-SCSAIBSYSA-N 134.154 0.403 50 10 ACGE CN[C@H]1C[C@H](OC(=O)F)C1 1880054775 BHDRQFJLAAZXDY-URHBZAFASA-N 147.149 0.843 50 10 ACGE O=C(F)N1CC=C[C@@H](O)C1 1880055164 GEOQLIOUKYTYBD-RXMQYKEDSA-N 145.133 0.309 50 10 ACGE CCOC[C@H](CN)[C@H](N)CCl 1880216141 MVFSOFITTAVINY-NKWVEPMBSA-N 180.679 0.164 50 10 ACGE CS(C)(=O)=NCCNC(=O)F 1880315125 AKEQBOILEHNTDY-UHFFFAOYSA-N 182.220 0.393 50 10 ACGE C[C@@H]1CN(C(=O)F)C[C@@H]1CN 1880315826 HJPCHMJGLVVCQI-RITPCOANSA-N 160.192 0.603 50 10 ACGE O=C(F)O[C@H]1CNCCOC1 1880317151 TXOSBJAMZWDPKT-YFKPBYRVSA-N 163.148 0.081 50 10 ACGE COCC(=O)NC[C@H]1C[C@@H]1Cl 1880435581 DFIUDXWIUWOMLM-RITPCOANSA-N 177.631 0.376 50 10 ACGE CNC(=O)NCC1CC(Cl)C1 1880454559 AICRZHFMIUDASU-UHFFFAOYSA-N 176.647 0.933 50 10 ACGE C[C@H](O)[C@@H]1CCN1C(=O)[C@@H](C)Cl 1880869087 RFPSJVCMUWYGFM-VQVTYTSYSA-N 191.658 0.595 50 10 ACGE O=C(F)NC[C@H]1C[C@H]2CC[C@H]1N2 1881054372 BDSHVUMFVCMIMS-FSDSQADBSA-N 172.203 0.806 50 10 ACGE OCCOCCNC[C@H]1C[C@H]1Cl 1881363972 CBQAWOPYQOELDB-HTQZYQBOSA-N 193.674 0.212 50 10 ACGE NCCCC(=O)NC[C@@H]1C[C@@H]1Cl 1881367386 WJADSUJETNSPIZ-BQBZGAKWSA-N 190.674 0.469 50 10 ACGE CC1(CN)CN(C[C@H]2C[C@H]2Cl)C1 1881373317 LAUWAKSSRQXSJJ-HTQZYQBOSA-N 188.702 0.894 50 10 ACGE COC[C@H](N)COC[C@H]1C[C@@H]1Cl 1881373394 LMGJPHLMJHQJOQ-CSMHCCOUSA-N 193.674 0.604 50 10 ACGE Cc1nccn1[C@@H](C)C(=O)N(C)N 1882689464 AVWGMSYVCKTCBZ-LURJTMIESA-N 182.227 0.085 50 10 ACGE CN(C)C[C@@H]1C[C@@H](O)CN1C(=O)F 1882787859 PYOHNRCVEFGAHU-NKWVEPMBSA-N 190.218 0.073 50 10 ACGE CN(C(=O)NN)C1C[C@H]2CC[C@@H]2C1 1883022107 VWYMMMVVBMFKGU-RNFRBKRXSA-N 183.255 0.690 50 10 ACGE O=C(F)N[C@H]1C[C@@H]([C@@H](F)C(=O)O)C1 1883788648 WBOGNPQAWKGOPS-MROZADKFSA-N 193.149 0.867 50 10 ACGE O=C(F)N[C@H]1CCC2(CNC2)OC1 1887414042 FFTJSGXSRHQQPY-LURJTMIESA-N 188.202 0.187 50 10 ACGE C=C1C[C@H]1CN1CC[C@@](C)(B(O)O)C1 1891586165 QELMSGKVQUIASV-VHSXEESVSA-N 195.071 0.501 50 10 ACGE C[C@H]1[C@@H](O)CCN1C(=O)CCl 1914453305 YPBFFSCOUIBLBM-WDSKDSINSA-N 177.631 0.207 50 10 ACGE C[C@H](CN1CCC[C@@H]2C[C@@H]21)C(=O)NN 1916275482 CSNCTOCYNOQDCC-HLTSFMKQSA-N 197.282 0.097 50 10 ACGE CC(C#N)=CCN(C)C[C@H](C)O 1923761169 IXKRVMXBOQWXDH-VIFPVBQESA-N 168.240 0.769 50 10 ACGE CNNC(=O)CC1CC(C)C1 1925135116 FMUQJABXFMKQNO-UHFFFAOYSA-N 156.229 0.673 50 10 ACGE C[C@H](Cl)Cc1cnnn1C 1927721472 DTCSITYXBAUWIG-YFKPBYRVSA-N 159.620 0.985 50 10 ACGE CN1C[C@H](Cl)[C@H](NCCF)C1 1928755136 ITUMAOACKYDJHR-NKWVEPMBSA-N 180.654 0.467 50 10 ACGE C[C@@H](Cl)C(=O)NC[C@H](O)CF 1930546616 VANWJLCVABAUSH-RFZPGFLSSA-N 183.610 0.060 50 10 ACGE COC(=O)C(C#N)=C[C@H]1NCC[C@H]1C 1930822208 UMNRYMWCOXDLRI-VXNVDRBHSA-N 194.234 0.607 50 10 ACGE CO[C@]1(C=C(C)C=O)CCOC1 1931455766 XYRYVOHVEGAFBK-VIFPVBQESA-N 170.208 0.937 50 10 ACGE N#C[C@@]1(O)CNC2(CCCCC2)C1 1934240628 OHKMMQCEEHEAIL-SNVBAGLBSA-N 180.251 0.937 50 10 ACGE COCC(C)(COC)[C@H](O)CCl 1951638229 DECFBXMNVYRLHC-SSDOTTSWSA-N 196.674 0.885 50 10 ACGE N#C[C@H](O)Cc1cn2c(n1)CCCC2 1952292434 VQORMTZDGKFYAL-SECBINFHSA-N 191.234 0.646 50 10 ACGE N#C[C@@H](O)[C@H](N)c1cccs1 1952860165 CLAASWOMTAQYSN-VDTYLAMSSA-N 168.221 0.632 50 10 ACGE COC1(C(=O)N=C=O)CC1 1953154415 NPLXLSZQKBEDTM-UHFFFAOYSA-N 141.126 0.028 50 10 ACGE O=C1C[C@@]2(CC[C@@]23CCCO3)C(=O)O1 1955554261 QRFRPQQWOIVWNU-UWVGGRQHSA-N 196.202 0.789 50 10 ACGE CCOc1ccc(F)c(C)c1B(O)O 2060125221 JSLCMYUEWFMYES-UHFFFAOYSA-N 198.002 0.213 50 10 ACGE CS(=O)(=O)[C@H](CN=C=O)C1CC1 2208981617 QWGGJZPYRSRZHK-SSDOTTSWSA-N 189.236 0.145 50 10 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ACGE N#C[C@@H](Cl)COC/C=C/CO 378975627 WSHTZEGBHJTXII-QOHHWTFISA-N 175.615 0.682 50 10 ACGE C/C=C(/C=O)[C@H](O)C[C@H](C)OC 383916924 FCNGBUOSDFHCGE-ZFOYQSGISA-N 172.224 0.918 50 10 ACGE CN(N)C(=O)C[C@H]1C[C@@H]1C1CC1 712964393 TVSQGICERCDMCV-HTQZYQBOSA-N 168.240 0.755 50 10 ACGE C/C=C\C(=O)N(N)c1ncccn1 1083055366 KZMIZAAUUNXLJJ-RQOWECAXSA-N 178.195 0.259 50 10 ACGE CC1([C@@H]2CC(=O)OC2=O)CCOCC1 1535768502 YHWHVZVPMHHCJL-SSDOTTSWSA-N 198.218 0.893 50 10 ACGE O=S1(=O)CC[C@@H]([C@H](O)CCl)C1 1536220483 QGRMLPNPTSWXMA-PHDIDXHHSA-N 198.671 0.021 50 10 ACGE C[C@@H](CN)C[C@H](N)CBr 1879966702 IBBFSVIXIBHLKM-RITPCOANSA-N 195.104 0.694 50 10 ACGE O=C(F)N[C@]12COC[C@@H]1C2 1880055158 GEJJLMWTBQEAEK-UJURSFKZSA-N 145.133 0.454 50 10 ACGE Cl[C@@H]1C[C@@H]1Cn1ccnn1 1880107781 PDVSEWKEGJLDKF-PHDIDXHHSA-N 157.604 0.905 50 10 ACGE C#C[C@@]1(OC(=O)F)CCNC1 1880315293 BWIVPOJZDXMCLX-SSDOTTSWSA-N 157.144 0.458 50 10 ACGE O=C1CNC[C@@H]1C[C@H]1C[C@H]1Cl 1880435110 YWPYKSVDZDBUPM-LYFYHCNISA-N 173.643 0.792 50 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HFKIRQWKMKWMBK-OWOJBTEDSA-N 189.642 0.987 50 10 ACGE CN1C[C@@H]2C[C@H]1CN2C(=O)CCl 1881034057 YKGOFZXTABUEBQ-BQBZGAKWSA-N 188.658 0.140 50 10 ACGE CO[C@H]1C[C@@H]1NC(=O)CCCCl 1881092454 GIYULDMOOGKXEZ-BQBZGAKWSA-N 191.658 0.909 50 10 ACGE CNC[C@@H]1CCN1C[C@H]1C[C@H]1Cl 1881364388 GVIJQIPOGHILOD-HRDYMLBCSA-N 188.702 0.907 50 10 ACGE CN(N)C(=O)c1ccn(C2CC2)n1 1882734606 LBLDVKUQSSSBKR-UHFFFAOYSA-N 180.211 0.164 50 10 ACGE O=C(F)NC[C@@H]1C[C@H]2COC[C@@H]2N1 1882783584 HKOMVRAUUWIHCY-ACZMJKKPSA-N 188.202 0.042 50 10 ACGE O=C(F)N[C@H]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1882788700 AXXOXIRHGQZDNX-RJYLNQFNSA-N 187.170 0.775 50 10 ACGE CN(C(=O)NN)[C@H]1C[C@@H]2CC[C@@H]2C1 1883022108 VWYMMMVVBMFKGU-RNLVFQAGSA-N 183.255 0.690 50 10 ACGE C[C@H]1CC[C@@H](CN(C)C(=O)NN)O1 1883444869 IPOGESUSUWWLNS-BQBZGAKWSA-N 187.243 0.069 50 10 ACGE C[C@@H](CO[C@@H](C)C(F)F)C(=O)NN 1888699344 WAIZZUNUHUTDDU-WHFBIAKZSA-N 196.197 0.283 50 10 ACGE CC[C@@H]1C[C@H]1CC(=O)NNCCO 1892167849 DIHBIXSDEUCPOC-SFYZADRCSA-N 186.255 0.036 50 10 ACGE C[C@@H](O[C@@H]1CC[C@H]2C[C@@H]1C2)C(=O)NN 1895377747 WNTZHELEKYNQPD-LURQLKTLSA-N 198.266 0.570 50 10 ACGE C=C(CO[C@@H]1CCC[C@@H]2C[C@H]21)B(O)O 1906603856 CWUYSUHOWWDBII-OPRDCNLKSA-N 196.055 0.760 50 10 ACGE C[C@@H](CN1CC[C@@H]2CC[C@@H]21)C(=O)NN 1924447276 WOBSDTIMZCTIGY-CIUDSAMLSA-N 197.282 0.097 50 10 ACGE O=C(NNCCO)C12CCC(CC1)C2 1929835496 TUBYBAQNBZGNLO-UHFFFAOYSA-N 198.266 0.180 50 10 ACGE C[C@@H](Cl)C(=O)N1C[C@@H](O)[C@H](F)C1 1929870147 MXGFRKMFMKDCCP-HSUXUTPPSA-N 195.621 0.155 50 10 ACGE C[C@@H](Cl)C(=O)N[C@@H](CO)C1CC1 1930725304 FZICACBQLMUWPO-VDTYLAMSSA-N 191.658 0.501 50 10 ACGE C#CCN[C@@](C)(CCl)COC 1932440091 BPEFFLZZGOQITO-QMMMGPOBSA-N 175.659 0.853 50 10 ACGE CC1(NC(=O)NN)CC(F)C1 1932887943 WYSUCTTZVYJGCX-UHFFFAOYSA-N 161.180 0.050 50 10 ACGE CC[C@@H](CCCO)NC(=O)CCl 1933345375 IKKPVYMSTTVBMK-ZETCQYMHSA-N 193.674 0.893 50 10 ACGE C[C@@H](S)[C@@H]1CC(=O)OC1=O 1951483673 ADNCBUNKRNDOLZ-DMTCNVIQSA-N 160.194 0.394 50 10 ACGE C[C@@H](N)C=CC#N 1951603335 YTQWBRFEEFONAE-RXMQYKEDSA-N 96.133 0.413 50 10 ACGE N#C[C@H](O)[C@H](N)c1cccc(Cl)n1 1952956321 ILBRVYXNIJRXQH-POYBYMJQSA-N 197.625 0.619 50 10 ACGE Cc1ccc2c(c1)CC[C@]2(N)B(O)O 1956060065 QFQKLSZCZOVNDI-SNVBAGLBSA-N 191.039 0.107 50 10 ACGE O=C=Nc1ccc(-n2cnnn2)cc1 2209551165 WRNUOYHASKOQQJ-UHFFFAOYSA-N 187.162 0.630 50 10 ACGE CO[C@@H]1CCN(C(=O)NN)C2(CC2)C1 2241381782 ZTIPJVOVJHLVSZ-SSDOTTSWSA-N 199.254 0.213 50 10 ACGE CN1CC(CN[C@H]2C[C@H](Cl)C2)C1 2241669011 XXFFWCPHSRNJKH-KYZUINATSA-N 188.702 0.907 50 10 ACGE O=C(CCl)N1C[C@@H]2C[C@H](C1)[C@@H]2O 2241832706 XEDLZKNAQFMYMI-BDINMYNLSA-N 189.642 0.064 50 10 ACGE CCC[C@@H](CC)[C@@H](N)B(O)O 2242046335 TVGWSRICWJZZCH-RNFRBKRXSA-N 159.038 0.152 50 10 ACGE C[C@H](N)[P@](=O)(O)CCl 34153598 SKFLKUNSKBNNPJ-GSVOUGTGSA-N 157.537 0.758 50 10 ACGE O[C@@H]1CC[C@H](CBr)O1 34326850 YCWGUHNTCUOMTQ-UHNVWZDZSA-N 181.029 0.879 50 10 ACGE NNC(=O)C1(c2ccc(F)cc2)CC1 36963045 RETPXVAYVYANJC-UHFFFAOYSA-N 194.209 0.847 50 10 ACGE CC(C)(OO)OO 59335682 XJHMOGCOFPLTNG-UHFFFAOYSA-N 108.093 0.702 50 10 ACGE endogenous,in-man C[C@@H](O)CN=C=S 59952500 QVHQRTPZEOLRSE-SCSAIBSYSA-N 117.173 0.470 50 10 ACGE CC1=C(C=O)C[C@H](O)C[C@@H]1O 75542487 LBUWOYBILWJFNY-YUMQZZPRSA-N 156.181 0.017 50 10 ACGE CC(C)[C@@H]1CCCN1CC(=O)NN 84128099 LBSMWCHNNZWDPY-QMMMGPOBSA-N 185.271 0.097 50 10 ACGE C[C@H](Cl)CCN 104565135 FDPARAUDZWSHOH-BYPYZUCNSA-N 107.584 0.963 50 10 ACGE OCC[C@@H](O)CCCCl 104713236 WWTYQARVHPGCQD-LURJTMIESA-N 152.621 0.749 50 10 ACGE CCOC(=N)[C@H](O)CCl 104732874 KNPJATBXZGYYHE-SCSAIBSYSA-N 151.593 0.600 50 10 ACGE Cl[C@H]1CO[C@H]2[C@@H]1OC[C@H]2Cl 105024450 LJIOMAFJGPKVQZ-JGWLITMVSA-N 183.034 0.999 50 10 ACGE CN1C(CO)=C[C@H]2C(C=O)=CC=C[C@H]21 107352828 QGWMHUKAIAFCBY-WDEREUQCSA-N 191.230 0.488 50 10 ACGE COc1ncncc1N=C=O 107455242 ORACTKJEBVGISZ-UHFFFAOYSA-N 151.125 0.453 50 10 ACGE [C-]#[N+]C[C@@H](C)NC(=O)C(F)(F)F 108365686 JKKMXYMWJXVKCD-SCSAIBSYSA-N 180.129 0.973 50 10 ACGE Cc1nnc(NC(=O)[C@H](C)Cl)[nH]1 127157460 TWHHJNSUZYJAKK-VKHMYHEASA-N 188.618 0.679 50 10 ACGE C[C@H]1CN(C[C@H](Cl)C#N)CCO1 132440552 FHVHVPQADHSOTE-JGVFFNPUSA-N 188.658 0.838 50 10 ACGE O[C@H](CCl)CO[C@H]1CCOC1 156167405 OMBQRGLOFQBFKR-RQJHMYQMSA-N 180.631 0.392 50 10 ACGE C[C@H]1CN(C[C@H](O)CCl)CCO1 156298967 XYZYDDLUQFBVON-JGVFFNPUSA-N 193.674 0.307 50 10 ACGE O=C1[C@H]2C[C@H]2C(=O)N1C/C=C\CCl 212725257 OZSJIGCMUDINBD-ABOMHHIASA-N 199.637 0.786 50 10 ACGE CN[C@@H]1CC[C@H](O)[C@H](Cl)C1 219830094 QIHMCKHCDXVNLJ-QYNIQEEDSA-N 163.648 0.727 50 10 ACGE C[C@H]1CN(C)[C@@H](C)C/C1=N\NC(N)=O 232699497 PMOPYGOTEFTCSW-PDIDVQAISA-N 198.270 0.371 50 10 ACGE C=C1C[C@H]1N=C=O 238015427 XRLBEGTVIMHBMV-RXMQYKEDSA-N 95.101 0.651 50 10 ACGE C=C(C=O)[C@H]1CCOC1=O 238056540 JFILBODHWQWENB-ZCFIWIBFSA-N 140.138 0.305 50 10 ACGE CC1=C(C=O)[C@@H](CO)CC1=O 238205622 QOXCVTFNHJSZTG-ZCFIWIBFSA-N 154.165 0.083 50 10 ACGE CCOC(=O)CC(=O)C(=O)Cl 238254379 QMZLPRWFODHDNT-UHFFFAOYSA-N 178.571 0.274 50 10 ACGE CC[C@@H](Cl)[C@](C)(O)C=O 238286078 QNVISWCQNIODDX-PHDIDXHHSA-N 150.605 0.954 50 10 ACGE C[C@@H]1C=C(B(O)O)C[C@H](C)C1 238449337 MILULFBGGMODHG-NKWVEPMBSA-N 154.018 0.991 50 10 ACGE N=C1NC(=S)N[C@@H](CCl)S1 238499759 GDBOENFZEPFLFM-UWTATZPHSA-N 195.700 0.697 50 10 ACGE Cc1ccc(NC(=O)NNC=O)cc1 238518335 UZOXTOYWPJFPRX-UHFFFAOYSA-N 193.206 0.778 50 10 ACGE C=CCOC(=O)COCCCl 238569416 ISFHBTKNNKLBDQ-UHFFFAOYSA-N 178.615 0.971 50 10 ACGE O=C(O)[C@]1(O)CCCC[C@H]1Cl 238677237 ZRNLBGPWTPFGJN-VDTYLAMSSA-N 178.615 0.984 50 10 ACGE O[C@H](CCl)CN1CC=CCC1 238704665 LHXPVYNSHXSZEF-MRVPVSSYSA-N 175.659 0.848 50 10 ACGE C[C@@H]1O[S@@](=O)O[C@H](C)[C@@H]1Cl 306475613 SVRGSNLEVWHCKM-FVUONDTNSA-N 184.644 0.996 50 10 ACGE N#C/C(C(N)=S)=C(/N)C(F)(F)F 306653064 GQJCVQHJSDYEPX-IHWYPQMZSA-N 195.169 0.571 50 10 ACGE C[C@H]1CSC/C1=N\NC(N)=O 306673374 NKHLTSYDVVGPCA-FMAAMLBYSA-N 173.241 0.394 50 10 ACGE C[C@@H]1CN(CCC(=O)NN)[C@@H](C)[C@H]1C 306841954 BYSNOLPSLUJLLJ-VGMNWLOBSA-N 199.298 0.343 50 10 ACGE C[C@@H]1CN(CCCl)S(=O)(=O)C1 306929639 AZNMSCNCCOFRPJ-ZCFIWIBFSA-N 197.687 0.507 50 10 ACGE COC(=O)/C(C#N)=C\c1cncnc1 307555604 YAUOQABHGDZCBH-WAPJZHGLSA-N 189.174 0.557 50 10 ACGE C[C@@H](CCl)C(=O)N1CCOC1 307592728 FTKSXOQVYFNSOP-LURJTMIESA-N 177.631 0.678 50 10 ACGE S=C=NCCn1cncn1 307637358 YKKQGBUPMRJJNZ-UHFFFAOYSA-N 154.198 0.381 50 10 ACGE CC(CCCN(C)C)=NNC(N)=O 383548654 MFDGNRAAEBABLT-UHFFFAOYSA-N 186.259 0.372 50 10 ACGE CNNC(=O)c1cccc(C)c1O 575567357 RXHKOXUBTDKVEE-UHFFFAOYSA-N 180.207 0.565 50 10 ACGE C[C@](O)(C#N)[C@@H]1CCCCO1 606245387 ZIWICDUBSUCCRR-YUMQZZPRSA-N 155.197 0.830 50 10 ACGE CN(N)C(=O)C1(C)CCCC1 606246839 PIGCPFJMOXLYLL-UHFFFAOYSA-N 156.229 0.899 50 10 ACGE C[C@H]1C/C(=N/NC(N)=O)[C@@H](C)O1 606252554 NEJSDKPUZKCZOX-XKSNCDEVSA-N 171.200 0.208 50 10 ACGE CC[C@@H](C(=O)NN)N1C[C@H]2CC[C@H]2C1 688271458 JQFZFJQKHDYJQE-YIZRAAEISA-N 197.282 0.097 50 10 ACGE CCO[C@H]1C[C@@H]1C(=O)N=C=O 690055578 TTZWRLNKLHBVOX-WDSKDSINSA-N 155.153 0.274 50 10 ACGE N#CC1(O)CCN(CCCF)CC1 692097405 KXPLWMSSRWBIQE-UHFFFAOYSA-N 186.230 0.696 50 10 ACGE NNC(=O)[C@@H]1CCC[C@@H]2C[C@H]21 694269351 ZLFYNLZFJAKIIR-FSDSQADBSA-N 154.213 0.413 50 10 ACGE CCC(F)(F)CC(=O)NN 697650419 NYSWCPQRMPMOAR-UHFFFAOYSA-N 152.144 0.412 50 10 ACGE N#CC1=C=C=C(OC2CC2)NN1 885269419 WOBMAEQCTNLGMT-UHFFFAOYSA-N 161.164 0.276 50 10 ACGE O[C@H](CCl)c1ncc[nH]1 1536193670 JORUCMKIAGKHDV-SCSAIBSYSA-N 146.577 0.682 50 10 ACGE C[C@H](Cl)CNC(=O)CCN 1866115306 MYPGAOLNIBHLBF-YFKPBYRVSA-N 164.636 0.079 50 10 ACGE CN(N)C[C@@H]1C[C@@H]1Br 1877458326 WQWLDBQONRVAQP-WHFBIAKZSA-N 179.061 0.575 50 10 ACGE Cc1nccc(C(=O)F)n1 1880028708 VWHFBCVIZGPBHQ-UHFFFAOYSA-N 140.117 0.895 50 10 ACGE O=C(F)NC[C@H]1C[C@@H]1CO 1880055591 KUGBKPPRRWICBW-RFZPGFLSSA-N 147.149 0.294 50 10 ACGE CC[C@H]1C[C@H](O)CN1C(=O)F 1880312645 MSAYYRCNVREWMX-WDSKDSINSA-N 161.176 0.921 50 10 ACGE C[C@H](O)CCNC(=O)C[C@H](C)Cl 1880868278 HAZQDKOSCSGYEW-BQBZGAKWSA-N 193.674 0.891 50 10 ACGE Cc1ncc(C[C@@H](O)CCl)cn1 1881030679 YKJDBDSMCGCFHG-MRVPVSSYSA-N 186.642 0.927 50 10 ACGE CNNC(=O)C[C@H]1CC[C@H]1OC 1881034826 HAHSSPXSSAWDML-RNFRBKRXSA-N 172.228 0.052 50 10 ACGE O=C(F)NCC[C@@]1(O)CCOC1 1881051683 QENLSVBNNVEING-SSDOTTSWSA-N 177.175 0.207 50 10 ACGE CNCCN(C)C(=O)[C@H]1C[C@@H]1Cl 1881393144 UKSFPKIQXJJRJE-BQBZGAKWSA-N 190.674 0.292 50 10 ACGE CN1CC[C@@H](OC[C@H](O)CCl)C1 1881440753 UVUDHNLYRBICBP-HTQZYQBOSA-N 193.674 0.307 50 10 ACGE O=C(F)N[C@H]1CC2(CCC2)[C@H]1O 1881588808 SEICHTSZWGJPJH-WDSKDSINSA-N 173.187 0.969 50 10 ACGE CN1C[C@@H]2C[C@H]1CN2C[C@@H](Cl)C#N 1882781873 KJOPKYREMMCMFQ-CIUDSAMLSA-N 199.685 0.506 50 10 ACGE CC1CC(CO[C@H](C)C(=O)NN)C1 1883175755 ASDIVNZKMVBJBZ-ZUEIMRROSA-N 186.255 0.428 50 10 ACGE C#CC1(OCC2CC(Cl)C2)CNC1 1883646636 AYKPKNOZCBAKHN-UHFFFAOYSA-N 199.681 0.996 50 10 ACGE NNC(=O)NCC[C@@H]1CCC[C@H]2C[C@@H]12 1885834767 YNEHKPYREFDMKT-CIUDSAMLSA-N 197.282 0.986 50 10 ACGE CNNC(=O)[C@H]1CCCc2nccn21 1886708902 QYQUYKVBVOEZBS-SSDOTTSWSA-N 194.238 0.011 50 10 ACGE NNC(=O)NC[C@@H]1CC[C@H]1C1CC1 1891494039 ZGHPHVYDAVQMPU-YUMQZZPRSA-N 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N#C[C@H](O)[C@@H]1CCCC[C@H]1N 1890133544 AKMBRQRYFRZBQM-PRJMDXOYSA-N 154.213 0.388 50 10 ACGE CC1(CN2CC[C@@](C)(B(O)O)C2)CC1 1891583995 DNYGWFDTHUPSRY-SNVBAGLBSA-N 197.087 0.725 50 10 ACGE N#CC1=CCN([C@H]2CC[C@H]2CN)CC1 1894074508 UAARZLFVTMYXHK-QWRGUYRKSA-N 191.278 0.879 50 10 ACGE C#CCNC(=O)C(C#N)=COCC 1911605412 KGOPPYFYEJTXJF-UHFFFAOYSA-N 178.191 0.180 50 10 ACGE CCNC(=NC)N1CC=C(C#N)CC1 1924588240 VPVGJXNKLUEJPR-UHFFFAOYSA-N 192.266 0.737 50 10 ACGE Cn1ncnc1-c1noc(CCl)n1 1925269633 GUYZTEZXYGPQFF-UHFFFAOYSA-N 199.601 0.604 50 10 ACGE C#CCN1C[C@H](C)O[C@H](CCl)C1 1932435399 WRJZGDFLCLPUJN-DTWKUNHWSA-N 187.670 0.948 50 10 ACGE CN1C[C@H](Cl)[C@@H]([C@H]2C=CCN2)C1 1935191101 JBXFPUDOJSBBGL-XHNCKOQMSA-N 186.686 0.683 50 10 ACGE N#CC=CO 1951333515 VLQQXSKNYWXJKT-UHFFFAOYSA-N 69.063 0.582 50 10 ACGE C[C@H](Cl)C(=O)N[C@@H]1C[C@H]1CO 1953229685 SGAGKVSNBWJWRA-HCWXCVPCSA-N 177.631 0.111 50 10 ACGE C[C@@H]1C[C@H](OC[C@H](O)CCl)CO1 1953702989 IJCXNZGEUONVFQ-PRJMDXOYSA-N 194.658 0.780 50 10 ACGE C#CC1(F)CN(C[C@@H](Cl)C#N)C1 1953711125 JEJXCHRWFNTYHG-ZETCQYMHSA-N 186.617 0.774 50 10 ACGE O=C=N[C@@H](C(F)F)[C@@H]1CCOC1 2209088728 LBELJGVSWZNFOD-PHDIDXHHSA-N 177.150 0.992 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1CCOCCN1 2241664395 QHRDGZQKNVKGAG-BQBZGAKWSA-N 191.658 0.561 50 10 ACGE C[C@H](C(=O)NN)N(C)[C@]1(C)CC1(C)C 2242141428 JMWNHTAYIJVWDG-GMSGAONNSA-N 199.298 0.485 50 10 ACGE CC(C)OC(=O)CCN=C=O 19976521 KGDLAQVAAYBRDD-UHFFFAOYSA-N 157.169 0.664 50 10 ACGE O=C(Cl)c1cc[n+]([O-])cc1 39203099 UDKDEIJNHVDZIE-UHFFFAOYSA-N 157.556 0.699 50 10 ACGE CC[C@@H](Cl)C(=O)NC(C)=O 39310332 IDEAENWGMYHCRN-RXMQYKEDSA-N 163.604 0.667 50 10 ACGE O=C(NCCCl)[C@@H]1CCOC1 40972798 UAXQIJRDNKGQMN-ZCFIWIBFSA-N 177.631 0.378 50 10 ACGE CCCN1CCC(O)(C#N)CC1 59261808 JNKPVRSRHPETCO-UHFFFAOYSA-N 168.240 0.747 50 10 ACGE O=C=N[C@@H]1CCN2CCC[C@@H]12 62822180 VJMCLIDCVDSLLC-SFYZADRCSA-N 152.197 0.559 50 10 ACGE CCN(C(=O)CCl)S(C)(=O)=O 73733755 LRGAHFNGVXQWFX-UHFFFAOYSA-N 199.659 0.033 50 10 ACGE CN(C)CC[C@H](O)CCl 82015137 QTNDRVBQVHFPAU-LURJTMIESA-N 151.637 0.538 50 10 ACGE O=CC1=CN=C2C=CON2C1 82408531 YKJJAIFTRJBAEQ-UHFFFAOYSA-N 150.137 0.242 50 10 ACGE Cn1nc(C(=O)Cl)ccc1=O 82447696 SQOLVLPNTTWTOT-UHFFFAOYSA-N 172.571 0.159 50 10 ACGE NNC(=O)c1nc(CS)cs1 82473269 DIBMKGCSPGMJCB-UHFFFAOYSA-N 189.265 0.176 50 10 ACGE CNC(=O)/C(C#N)=C(\C)O 100218922 AQALIMMGDOXQNI-SNAWJCMRSA-N 140.142 0.088 50 10 ACGE CCC(=O)NC(=O)CCl 104717902 CGMHUHSNYLYFIR-UHFFFAOYSA-N 149.577 0.278 50 10 ACGE CCOC(=O)/C(S)=C(/C#N)NC 105597576 VCTGRZOCGKJFCX-AATRIKPKSA-N 186.236 0.434 50 10 ACGE CSc1nnc([C@](C)(O)C#N)n1C 106366153 XRQUZRWJVBLGGG-SSDOTTSWSA-N 198.251 0.268 50 10 ACGE O=C(O)[C@@H](Cl)CSCCO 132976778 HVTUMLGDYXVNLT-BYPYZUCNSA-N 184.644 0.404 50 10 ACGE OB(O)CCOCC(F)(F)F 203442251 UHRLZKOCJZOYLO-UHFFFAOYSA-N 171.911 0.038 50 10 ACGE Nc1cc(NC(=O)CCl)ncn1 231395928 SZYDBNFQIJASHX-UHFFFAOYSA-N 186.602 0.236 50 10 ACGE O=C(CCCl)NCc1ccno1 231883929 SOAPQYBJIDVLQR-UHFFFAOYSA-N 188.614 0.920 50 10 ACGE COC[C@H](CNC(=O)CCl)OC 234718708 QJCWOINHWGZACL-LURJTMIESA-N 195.646 0.003 50 10 ACGE CC(C)/C=C/C=N/NC(N)=O 238108660 JYBUGGSKFJYTLH-PRKJJMSOSA-N 155.201 0.853 50 10 ACGE COC(=O)[C@H](N=C=O)C(C)(C)Cl 238801149 VSENUNXYWNCGRG-YFKPBYRVSA-N 191.614 0.881 50 10 ACGE C[C@H]1CN(CCCl)CC[C@H]1O 253176505 GEUBJGOUSYXWLB-JGVFFNPUSA-N 177.675 0.928 50 10 ACGE Cc1nccc([C@@H](O)C#N)n1 259469761 BDGVSQQHCLCGBN-ZETCQYMHSA-N 149.153 0.342 50 10 ACGE Cc1cnc([C@@H](O)C#N)n1C 259838719 PJBCUKBNBRKWRC-LURJTMIESA-N 151.169 0.286 50 10 ACGE CC(C)N1CCC(=NNC=O)CC1 306337702 UIAWYUQKDITQIV-UHFFFAOYSA-N 183.255 0.593 50 10 ACGE CNC(=S)C(/C=C/C=O)=C/O 307377663 CGVGFCRSADWSQA-ZIMISOLQSA-N 171.221 0.730 50 10 ACGE CCn1ncnc1C[C@H](O)CCl 308017487 SLEBQWIVGPQBHK-LURJTMIESA-N 189.646 0.440 50 10 ACGE NC(=O)NN=C1CC2C[C@@H]3C1[C@@H]3C2 308041290 AOZNQUZKSSEDHM-UHIJFOHLSA-N 179.223 0.687 50 10 ACGE C[C@H](C(=O)NN)N1CCC12CCCC2 606272215 FRXDBMYZLHLXEE-MRVPVSSYSA-N 197.282 0.383 50 10 ACGE ClCc1cncn1N1CCC1 686771469 NSRMFEYNYIXGCK-UHFFFAOYSA-N 171.631 0.964 50 10 ACGE CCCN(C)CCN=C=O 688937819 SKVJCQUHAMBNLJ-UHFFFAOYSA-N 142.202 0.664 50 10 ACGE C=C[C@@H](C)O[C@@H](C)CCC(=O)NN 706673649 KEKOOTLCWNHYJX-SFYZADRCSA-N 186.255 0.736 50 10 ACGE O=C(O)[C@H](Cl)CN1CC[C@H]2C[C@@H]21 707027365 KWLBTCUXPCFUQN-XVMARJQXSA-N 189.642 0.773 50 10 ACGE CNNC(=O)c1cccc(OC)c1O 707622429 HYRBPOPJVVMTID-UHFFFAOYSA-N 196.206 0.265 50 10 ACGE CC(C)(C)[C@H](OC1CC1)C(=O)NN 713292385 ZOGRJFVZWGZWEG-SSDOTTSWSA-N 186.255 0.570 50 10 ACGE C/C(=N\NC(=O)CO)[C]1CC=CS1 725575427 ZQWDZFKQKJTBIU-UHFFFAOYSA-N 199.255 0.653 50 10 ACGE C[C@H](Cl)C#CC1=C=NN(C)N1 885317716 WYQNUWGZDYPSMC-LURJTMIESA-N 169.615 0.536 50 10 ACGE CC(C)[C@H]1CCN1[C@@H](C)C(=O)NN 885486404 QTKVQVNOXIZWEY-JGVFFNPUSA-N 185.271 0.095 50 10 ACGE C=C(CC(C)C)C(=O)NNC(=O)NC 1346218680 LIDATHOOLPQQQO-UHFFFAOYSA-N 199.254 0.549 50 10 ACGE C[C@@H]1C[C@@H]1COC(F)(F)C(=O)NN 1877781904 WJMRUOHRFHVBDP-RFZPGFLSSA-N 194.181 0.242 50 10 ACGE N[C@@H](CBr)C1COC1 1879945768 UCEYZCXCNQVSCP-YFKPBYRVSA-N 180.045 0.355 50 10 ACGE CC[C@@](O)(C#N)C(F)F 1879958594 URNLPTNJWHOXFI-RXMQYKEDSA-N 135.113 0.916 50 10 ACGE N[C@@H]1COC[C@H]1[C@@H](F)CCl 1880033647 HHQSHQIPRNAXAN-HCWXCVPCSA-N 167.611 0.537 50 10 ACGE O=C(F)NC[C@H]1CCCO1 1880064687 NSLLEYFVJOZKSB-RXMQYKEDSA-N 147.149 0.845 50 10 ACGE CC1(C)NC[C@@H]1[C@H](N)CCl 1880070301 PMMBNJYDEJTWLS-PHDIDXHHSA-N 162.664 0.551 50 10 ACGE C[C@@H](CN)NC[C@H]1C[C@H]1Cl 1880098215 DMSYXCAMSMROGZ-RRKCRQDMSA-N 162.664 0.551 50 10 ACGE COC[C@H](CN)[C@H](CCl)OC 1880235496 XWILSKJWIRDEQA-BQBZGAKWSA-N 181.663 0.462 50 10 ACGE NC[C@@]12C[C@H]1CN(C(=O)F)C2 1880310102 YWTVEAGGCUNQRI-CAHLUQPWSA-N 158.176 0.357 50 10 ACGE C[C@H]1CN(C)C[C@H]1NC(=O)F 1880317033 RVGHQNUMHCHBLS-NTSWFWBYSA-N 160.192 0.616 50 10 ACGE O=C(F)NC1CC2(COC2)C1 1880336454 TWMVAISPWUUKFC-UHFFFAOYSA-N 159.160 0.845 50 10 ACGE N#C[C@]1(O)CCC2(CCC2)NC1 1880680217 PHAHSFLYCPEQCN-SECBINFHSA-N 166.224 0.547 50 10 ACGE N[C@H](CCl)[C@@H]1CN[C@H]2CCC[C@H]21 1880735634 VAPLHVBRKTYIJH-KDXUFGMBSA-N 188.702 0.941 50 10 ACGE Cn1[nH]c(=NC(=O)CCl)cc1F 1880942269 YFVNOSGDGYVEDV-UHFFFAOYSA-N 191.593 0.158 50 10 ACGE Cn1ncc([N+](=O)[O-])c1C(=O)F 1881012144 GQXVNLASOVIYDP-UHFFFAOYSA-N 173.103 0.438 50 10 ACGE O=C(F)NO[C@@H](C(=O)O)C1CC1 1881054782 HIRAXIBWDSQECX-SCSAIBSYSA-N 177.131 0.460 50 10 ACGE NC[C@@H]1CCN(C[C@@H]2C[C@H]2Cl)C1 1881364632 ISYGPXLEXVXCAL-XHNCKOQMSA-N 188.702 0.894 50 10 ACGE C[C@H](N)CN(C)C(=O)[C@H]1C[C@@H]1Cl 1881392055 KZSXTVQVVYMMOD-ACZMJKKPSA-N 190.674 0.419 50 10 ACGE C=C[C@@H](C)NC(=O)/C=C/C(=O)Cl 1881395818 NFBMVZIFYCCKEF-BMMSZFGTSA-N 187.626 0.999 50 10 ACGE CS(=O)(=O)[C@H]1CCC[C@H]1N=C=O 1881619119 HBJDDWBBBWFGDM-RQJHMYQMSA-N 189.236 0.288 50 10 ACGE CN(N)C(=O)[C@H]1CC12CC(F)(F)C2 1882947221 VKKVGYQKUVRSBO-RXMQYKEDSA-N 190.193 0.754 50 10 ACGE O=C1C=CC(=O)N1CC1CC(Cl)C1 1883648782 GGMMLMDLDMVNJT-UHFFFAOYSA-N 199.637 0.929 50 10 ACGE N[C@H]1C(F)(F)C12CC(NC(=O)F)C2 1884248410 UYCKZCNZMCPPRA-NHTYNGABSA-N 194.156 0.791 50 10 ACGE C[C@@H]1C[C@@H](C)C1NC(=O)NN 1888278290 DGNWERZTCCAZKF-RFZPGFLSSA-N 157.217 0.204 50 10 ACGE CN(C[C@]12C[C@](C)(CO1)C2)C(=O)NN 1891538939 IRVIYGAHWOHSOZ-DTORHVGOSA-N 199.254 0.071 50 10 ACGE CCOC(=O)[C@@H]1CC[C@H](C)[C@@]1(O)C#N 1893706399 BQMFUCUKFJBCIY-NRPADANISA-N 197.234 0.850 50 10 ACGE NNC(=O)[C@H]1C[C@@H]1CO[C@@H]1C=CCC1 1893783013 LGQCTOLQNYLZOL-HLTSFMKQSA-N 196.250 0.348 50 10 ACGE O=C=NC=CC[C@H]1CCCN1 1912087849 QTPFKLDCRWFNGO-QMMMGPOBSA-N 152.197 0.978 50 10 ACGE C[C@@H](CCl)C(=O)N(C)C1COC1 1915723734 JXIHAMAEWGHXNA-LURJTMIESA-N 191.658 0.719 50 10 ACGE C[C@H](CCl)C(=O)N1CC[C@H]1CO 1929727148 MLKDXBJLESCJAN-RQJHMYQMSA-N 191.658 0.455 50 10 ACGE N#C[C@]1(O)CCC[C@H]2CNC[C@@H]21 1930028592 WJLRIQCHEOTUJZ-XHNCKOQMSA-N 166.224 0.261 50 10 ACGE N[C@H](CCl)C1CC1 1930724696 RIVXXTUTJVFZHE-RXMQYKEDSA-N 119.595 0.963 50 10 ACGE CO[C@@H]1CN(C)C[C@@H]1N=C=S 1931636031 DCVFFVATNGUQSW-NKWVEPMBSA-N 172.253 0.418 50 10 ACGE CC#CCN(C)C[C@H](O)CCl 1953287263 FIYJUUMAAIODMS-MRVPVSSYSA-N 175.659 0.541 50 10 ACGE CCCc1c(N=C=O)nnn1C 1953705377 JBJKSAIRCTUHSC-UHFFFAOYSA-N 166.184 0.735 50 10 ACGE COC(=O)[C@@]1(CCCl)CCNC1 1953712799 JGGYBZHDISIJSR-QMMMGPOBSA-N 191.658 0.768 50 10 ACGE NC(=O)NN=C[C@H]1C[C@@H]2CC[C@H]1O2 1953922878 XMVIRWICEFYNJJ-DSYKOEDSSA-N 183.211 0.208 50 10 ACGE CNNC(=O)[C@@H]1CC[C@@H]1C 2208932832 HELOJEHWNBDOHM-NTSWFWBYSA-N 142.202 0.283 50 10 ACGE CCCC[C@@H](C)OCC(=O)NN 2209047044 UDEYLVNORGLENX-SSDOTTSWSA-N 174.244 0.572 50 10 ACGE CC1(C)C[C@]1(Cl)CNC(=O)NN 2209076239 TVXOQBLCSZRYEU-ZETCQYMHSA-N 191.662 0.567 50 10 ACGE NC[C@H]1CC[C@@H](COC(=O)F)CO1 2241248889 FVCOTMAZQLAMIO-RNFRBKRXSA-N 191.202 0.846 50 10 ACGE CNNC(=O)N1CCC2(CC2)C1 2241379664 NXMMSDDZOCIZCL-UHFFFAOYSA-N 169.228 0.316 50 10 ACGE CN1CCOC[C@@H]1CNCCCl 2241505773 JSGPBTXBUJFNKH-QMMMGPOBSA-N 192.690 0.145 50 10 ACGE ClCCN1C[C@H]2COC[C@H]1C2 2241897407 RECLORBFRVDWDJ-JGVFFNPUSA-N 175.659 0.946 50 10 ACGE O=C1CN(CC=CCl)CC(=O)O1 2242570276 RZYBBHVFNCHYCM-UHFFFAOYSA-N 189.598 0.124 50 10 ACGE CC12CC(C1)[C@@H](CB(O)O)CO2 2297003824 LBSXHBPMILQDRM-WTIBDHCWSA-N 170.017 0.274 50 10 ACGE OCC[C@@H](O)CBr 2581349 QCNUSBDGDRMPKD-SCSAIBSYSA-N 169.018 0.125 50 10 ACGE O=C(Nn1cnnc1)C(Cl)Cl 5605247 ZVAXHKAJYUXAST-UHFFFAOYSA-N 195.009 0.152 50 10 ACGE O=C(F)CBr 33836097 WSADAUSMUSYPQK-UHFFFAOYSA-N 140.939 0.877 50 10 ACGE CCCC[C@H](C#N)C(=O)NN 39136673 IATXWRHCEQRDSC-ZCFIWIBFSA-N 155.201 0.306 50 10 ACGE Cc1ccccc1CNC(=O)NN 48266062 DZQVYDPLDNJEMZ-UHFFFAOYSA-N 179.223 0.668 50 10 ACGE O=S1CCN(CCCl)CC1 49692329 IRMRPMUKGFGBNU-UHFFFAOYSA-N 181.688 0.290 50 10 ACGE ClCCC[C@H]1COCCN1 75545909 NDVAMWZRCANVOX-ZETCQYMHSA-N 163.648 0.994 50 10 ACGE CC(=O)c1ccc(F)c(C(=O)NN)c1 75848489 HQVNQASIKMWNSH-UHFFFAOYSA-N 196.181 0.632 50 10 ACGE CC(=O)O[C@H](C)OC(=O)CCl 79637246 PQDDSJYYVFJKLZ-YFKPBYRVSA-N 180.587 0.678 50 10 ACGE COCc1cc(C)c(C(=O)NN)o1 82463371 HTLFRYFYCYRYLC-UHFFFAOYSA-N 184.195 0.338 50 10 ACGE O=NOCCCl 104727855 ORLIWLCGOAJCFC-UHFFFAOYSA-N 109.512 0.923 50 10 ACGE Cc1cncc(N=C=O)n1 107454655 VJPAWSMBOSQIBB-UHFFFAOYSA-N 135.126 0.752 50 10 ACGE COC(=O)/C(C=O)=C1\CCC(C)(C)N1 138318970 ZZFUFDRYVBRSAK-BQYQJAHWSA-N 197.234 0.774 50 10 ACGE C#C[C@@H]1CC[C@@H](C#N)N1C(=O)CCl 141191761 OSBIHDNHTGLZIU-SFYZADRCSA-N 196.637 0.742 50 10 ACGE C/C(=N\NC=O)C1CC1 168047094 ZDSKDQLFAUZWFZ-VMPITWQZSA-N 126.159 0.518 50 10 ACGE COC(=O)[C@@H](Cl)[C@@H](Cl)OC 196295376 YCPRJVPZKWXQCO-IMJSIDKUSA-N 187.022 0.978 50 10 ACGE OB(O)C1=CC(=S)CC=C1 196949911 KFIYTARTVCMWPW-UHFFFAOYSA-N 153.999 0.255 50 10 ACGE CC(C)(Cl)CCB(O)O 198963382 NDGTZCSAWZHXGB-UHFFFAOYSA-N 150.414 0.867 50 10 ACGE O=CC1=CCCN2C(=O)CC[C@H]12 214685223 FPDDHXHMMXTDAD-MRVPVSSYSA-N 165.192 0.506 50 10 ACGE C[C@@H](O)CCN(C)C[C@@H](Cl)C#N 219762879 XLHSZFAIQJLTLF-SFYZADRCSA-N 190.674 0.820 50 10 ACGE CCC[C@@H](C)O[C@@H](C)C(=O)NN 230670711 YVECHWAWPZRTBA-RQJHMYQMSA-N 174.244 0.570 50 10 ACGE COC(OC)[C@@H]1CNCC[C@H]1Cl 238347733 DYDURJLMDDYUSN-RNFRBKRXSA-N 193.674 0.822 50 10 ACGE C=C(C=O)[C@@H](C)OCOC 238351172 MKAFRPQPXXPKQN-SSDOTTSWSA-N 144.170 0.751 50 10 ACGE COc1c(C)c(C)cc(C)c1B(O)O 238353783 RRJZAOLXYQTNGM-UHFFFAOYSA-N 194.039 0.300 50 10 ACGE O[C@H](C#C[C@@H](O)CCl)CCl 238672398 PTDFXJNBACWURC-PHDIDXHHSA-N 183.034 0.189 50 10 ACGE CCC[C@H](C)N(C)[C@H](C)C(=O)NN 251333227 NQIVZJGJBKQNLN-JGVFFNPUSA-N 187.287 0.485 50 10 ACGE C=C(C=O)[C@H]1CCCNC1 258329621 WZAYYNUJTHFIEN-QMMMGPOBSA-N 139.198 0.741 50 10 ACGE C[C@@H](Cl)C(=O)N1CCCOC1 306231734 BODOGWXJQDXXNP-ZCFIWIBFSA-N 177.631 0.820 50 10 ACGE C=C1[C@H](Cl)CN2CC[C@@H](O)[C@H]12 306286397 XBJVLSLRKCNHPU-PRJMDXOYSA-N 173.643 0.599 50 10 ACGE N#CC1=C2C(=S)N=CN=C2N=N1 306318418 BIGCPFKOYKVAAS-UHFFFAOYSA-N 175.176 0.998 50 10 ACGE O=C1[C@H]2C3[C@@H]4C([C@@H]2[C@H]1Cl)[C@@H]34 307043759 VHMBLNINQGWYKG-LJZODNDMSA-N 154.596 0.915 50 10 ACGE Cl[C@H]1CNCCOC1 307209485 LEONMOJUPNLVOT-YFKPBYRVSA-N 135.594 0.214 50 10 ACGE N#C[C@@]1(O)CCO[C@@H](C(F)(F)F)C1 307309742 AYLLWUVSCNSARQ-PHDIDXHHSA-N 195.140 0.982 50 10 ACGE 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NC(=O)NN=C1C2C=C[C@@H]3C1[C@H]3C=C2 308265813 ZJSSEWDRKBLJDE-BWWPFHEWSA-N 189.218 0.629 50 10 ACGE NC(=O)CCSC[C@@H](O)CCl 399199804 MVGSFMBYPUHKBO-YFKPBYRVSA-N 197.687 0.195 50 10 ACGE Cn1cc([C@H]2COC[C@@H]2Cl)nn1 575469886 FNYQDGHAEUJLAY-WDSKDSINSA-N 187.630 0.536 50 10 ACGE NNC(=O)N[C@]12CCCC[C@@H]1C2 575481346 RHRWMRJWBBSHCD-SVRRBLITSA-N 169.228 0.492 50 10 ACGE COC(=O)[C@@H](C)C[S@](=O)Cl 675071524 MXJLAMVVPLIYTK-MFXDVPHUSA-N 184.644 0.698 50 10 ACGE CN(N)C(=O)[C@@H]1CCC(F)(F)C1 704672103 CGEUFNBQGCYWSJ-RXMQYKEDSA-N 178.182 0.754 50 10 ACGE CN[C@H]1COC[C@H]1Br 709469874 ZSDYKRUZRIETJX-UHNVWZDZSA-N 180.045 0.368 50 10 ACGE N[C-]1CCCN1CC1=C=S=C=N1 885394663 IHADOOYNMYFYOW-UHFFFAOYSA-N 180.256 0.467 50 10 ACGE N#C[C@@]1(N=C=O)CCO[C@@]12CCOC2 885666006 APBOANXYFMPVBQ-DTWKUNHWSA-N 194.190 0.164 50 10 ACGE O=C1OC[C@H]2CN(C(=O)Cl)C[C@H]12 1615841306 ZZDWNVAFIVOEMQ-UHNVWZDZSA-N 189.598 0.450 50 10 ACGE NNC(=O)CCOC[C@@H]1C[C@H]1C1CC1 1877781093 IPSVAXRWPNPSLU-IUCAKERBSA-N 198.266 0.429 50 10 ACGE C[C@H]1[C@H](N)CN1C(=O)F 1879973118 FXDPBQVYDWLENB-IUYQGCFVSA-N 132.138 0.107 50 10 ACGE CC[C@@H](O)CNC(=O)F 1879973212 HCTWINCEULQUDA-SCSAIBSYSA-N 135.138 0.436 50 10 ACGE C[C@H]1NCC[C@@H]1OC(=O)F 1880055577 KQLLFBKYTINPTR-UHNVWZDZSA-N 147.149 0.843 50 10 ACGE CS[C@@H]1COC[C@@H]1N=C=O 1880133557 OBYKDDDBCIEWQK-NTSWFWBYSA-N 159.210 0.453 50 10 ACGE NNC(=O)NCC1(F)CCC1 1880187600 MWOJHGWUBXHRDY-UHFFFAOYSA-N 161.180 0.052 50 10 ACGE CN1CCC[C@H]1CNC(=O)F 1880313507 YKAKBGCVOVUMEL-LURJTMIESA-N 160.192 0.760 50 10 ACGE Cn1[nH]c(=NC(=O)F)cc1F 1880313607 ZQZPCXBPLYPWMK-UHFFFAOYSA-N 161.111 0.483 50 10 ACGE ClCCNCC1[C@H]2COC[C@H]12 1880342321 YEIJCMPMCUOQLE-HTQZYQBOSA-N 175.659 0.707 50 10 ACGE CO[C@@H](CN=C=O)C(F)(F)F 1880463698 YPBBPYPRRRXJQY-BYPYZUCNSA-N 169.102 0.900 50 10 ACGE O=C(F)NCC1COCCOC1 1881070435 ZQGGAHQWDCXPQE-UHFFFAOYSA-N 177.175 0.329 50 10 ACGE Cn1cc(CNOCCCl)nn1 1881149363 AYYMTQJDBZWANI-UHFFFAOYSA-N 190.634 0.075 50 10 ACGE CCC[C@H](COC)C(=O)N(C)N 1881244216 OWUWZLQARHPWNQ-SSDOTTSWSA-N 174.244 0.381 50 10 ACGE CNC(=O)CN(C)C[C@@H]1C[C@H]1Cl 1881372465 FJVLKQCATXOEHT-NKWVEPMBSA-N 190.674 0.292 50 10 ACGE CC1(O)CN(C(=O)[C@@H]2C[C@H]2Cl)C1 1881399482 DONHGNWELQOMAK-PHDIDXHHSA-N 189.642 0.207 50 10 ACGE N[C@@]12CC[C@@](COC(=O)F)(C1)OC2 1883017083 QXLGYNNKBSIFDP-YUMQZZPRSA-N 189.186 0.743 50 10 ACGE CN(C[C@]1(C)CCCO1)C(=O)NN 1883156152 YYOHZHYQTIDPJV-QMMMGPOBSA-N 187.243 0.071 50 10 ACGE Cl[C@H]1C[C@@H]1c1nnc2n1CCNC2 1883646375 YGMOKSPMTDQBCU-WDSKDSINSA-N 198.657 0.476 50 10 ACGE C#C[C@H](CC)NC(=O)/C=C/C(=O)Cl 1883647924 SLLUQGQSKDJUAZ-WEWAHIQMSA-N 199.637 0.836 50 10 ACGE CCC1(C)CC(N(C)CC(=O)NN)C1 1885259742 JSTADDXIBMRGBH-UHFFFAOYSA-N 199.298 0.487 50 10 ACGE C[C@@H](CN)N(C)C[C@H](Cl)C#N 1888765174 VUVREJKCURMZAK-NKWVEPMBSA-N 175.663 0.396 50 10 ACGE C#CCN(CCCl)C1COC1 1915505652 GQAJTWPPRHNSIH-UHFFFAOYSA-N 173.643 0.559 50 10 ACGE C#C[C@H](C)N(C)[C@H]1COC[C@H]1Cl 1925403017 DSSYHFGIXWQESA-YIZRAAEISA-N 187.670 0.946 50 10 ACGE COc1ccncc1[C@H](C#N)N=C=O 1927231346 CKTMJWBXCMDRDL-QMMMGPOBSA-N 189.174 0.991 50 10 ACGE COc1cncc(C=CB(O)O)c1 1927738156 WTPSUHZXRBZNGU-UHFFFAOYSA-N 178.984 0.115 50 10 ACGE C[C@]1(OCCN=C=O)CCOC1 1928486203 XGNIFHGRARZHPI-QMMMGPOBSA-N 171.196 0.518 50 10 ACGE CCC(=O)N[C@@H]1COC[C@H]1CCl 1928741267 MEFUHUWBNNHQTC-RNFRBKRXSA-N 191.658 0.766 50 10 ACGE C[C@H](Cl)C(=O)Nc1ncn(C)n1 1929100322 NCZNMBLGZTVPHU-BYPYZUCNSA-N 188.618 0.381 50 10 ACGE NNC(=O)N[C@@H]1CC[C@@H]2OCC[C@@H]2C1 1930691041 LWMGIBNSFFAGAT-PRJMDXOYSA-N 199.254 0.117 50 10 ACGE C#CCN(CCO)C(=O)[C@@H](C)Cl 1933489694 JMPCSGGDEPHEEF-SSDOTTSWSA-N 189.642 0.068 50 10 ACGE CN1[C@H]2CC[C@@H]1C[C@@H](N=C=O)C2 1934045981 DLJVJZRGOYLZRJ-PSVAKVPMSA-N 166.224 0.947 50 10 ACGE CN1C[C@@](O)(C#N)CC12CCOCC2 1935125552 ZICITKSPQHHFMS-JTQLQIEISA-N 196.250 0.126 50 10 ACGE N#C[C@@H](O)[C@@H](N)c1ccc(S)cc1 1952977720 OHISWHBYFVJLPN-BDAKNGLRSA-N 194.259 0.860 50 10 ACGE C#CCC[C@H](N)C(=O)CCl 1953183182 IVWUQXGSGWQRNA-LURJTMIESA-N 159.616 0.535 50 10 ACGE COC1CC(CC(=O)N(C)N)C1 1953387714 XURKSBDUGBGQKB-UHFFFAOYSA-N 172.228 0.134 50 10 ACGE C[C@H](CCl)CN(C)[C@H](C)C(N)=O 1953623474 SSLGTTBLWFKVPR-RNFRBKRXSA-N 192.690 0.667 50 10 ACGE CO[C@H](C)CCS(=O)(=O)N=C=O 1953661147 HJSNKHATEOSVAL-ZCFIWIBFSA-N 193.224 0.077 50 10 ACGE C#CC#CCNC(=O)[C@H](Cl)CC 1953736768 GYZJASCBWDZZJZ-MRVPVSSYSA-N 183.638 0.757 50 10 ACGE CCC1CCC([C@@H](N)B(O)O)CC1 1953944894 XRMVKNUVCKOWJI-AMDVSUOASA-N 185.076 0.542 50 10 ACGE CSc1cc(C)cc(B(O)O)c1C 2080834008 SSLYFTXHIGGZKS-UHFFFAOYSA-N 196.080 0.705 50 10 ACGE NNC(=O)NCCCCC(F)F 2209083561 XCAIQBWDHONIDI-UHFFFAOYSA-N 181.186 0.595 50 10 ACGE N[C@H]1C[C@@]2(C(=O)CCl)CO[C@H]1C2 2241423988 RNECOFWRPVMCAZ-HAFWLYHUSA-N 189.642 0.301 50 10 ACGE Cl[C@H]1C[C@H](N[C@@H]2CCONC2)C1 2241654219 TXYAIQMMVRRDPE-BWZBUEFSSA-N 190.674 0.639 50 10 ACGE O=C(F)N[C@@H]1C[C@H]2CC[C@@H]1O2 2297160184 IXYVOUCFYNMLIP-PBXRRBTRSA-N 159.160 0.985 50 10 ACGE CO[C@H]1C[C@@H]2C[C@](O)(C#N)[C@@H]2C1 2297241030 DAALULKBCUTKPH-XAVMHZPKSA-N 167.208 0.686 50 10 ACGE N#CCNC(=O)CCCl 5638402 JZBQOURKWBQPMY-UHFFFAOYSA-N 146.577 0.255 50 10 ACGE COC[C@H](C)NC(=O)[C@H](C)Cl 19269715 HHQDYUABIJIHNL-WDSKDSINSA-N 179.647 0.765 50 10 ACGE CN(CCCl)CCCN 31425403 LMGYLWQEAYJPEI-UHFFFAOYSA-N 150.653 0.506 50 10 ACGE Cc1ccc(/C=N\NC(N)=O)o1 33302041 MSTHBAMBCYWTLJ-WTKPLQERSA-N 167.168 0.590 50 10 ACGE C[C@@H]1COCCN1CCCl 40990934 NXKOJCBVETVHIU-SSDOTTSWSA-N 163.648 0.946 50 10 ACGE COc1cc(=O)[nH]cc1C(=O)Cl 45792638 JWYDXKJMJJMSOW-UHFFFAOYSA-N 187.582 0.763 50 10 ACGE C[C@H](N=C=S)C(=O)O 71621153 VDIKPHZCRJKRBA-VKHMYHEASA-N 131.156 0.562 50 10 ACGE CN(CC(=O)NN)c1cccc(F)c1 82470157 MBKIQCXFYQMZGC-UHFFFAOYSA-N 197.213 0.252 50 10 ACGE NCCN1CC[C@H](Cl)C1 88189506 MIGXINCGTGDNIR-LURJTMIESA-N 148.637 0.258 50 10 ACGE O=C(O)[C@H](Cl)C(=O)Cl 101254144 SXEBPGHQMASHAB-PVQJCKRUSA-N 156.952 0.444 50 10 ACGE N#C[C@@]1(O)CCN(C2CC2)C1 108595835 WCBNZTTYPYZYPV-QMMMGPOBSA-N 152.197 0.109 50 10 ACGE C=CC(=O)OC(C)=O 113911758 SRUCYNCHUFMZIT-UHFFFAOYSA-N 114.100 0.262 50 10 ACGE Cn1ccnc1CCNCCCl 126551237 HBUVIKBVDIBEBE-UHFFFAOYSA-N 187.674 0.791 50 10 ACGE CO[C@@H](C#N)CBr 146695839 CWOBFXWSLUHSPH-SCSAIBSYSA-N 164.002 0.920 50 10 ACGE CN(/C=C(\C#N)CCCF)CC(N)=O 150272026 ULUZAILFXFEONL-VURMDHGXSA-N 199.229 0.561 50 10 ACGE O[C@H]1OCC[C@@H]1Br 197263303 IXIOONLEJGQWIL-IMJSIDKUSA-N 167.002 0.489 50 10 ACGE CCn1ccc2c(B(O)O)cccc21 198447851 YVPNJBDUHFBMNU-UHFFFAOYSA-N 189.023 0.341 50 10 ACGE Cc1ncccc1/C=N/NC(N)=O 217905882 OTGPRDDFQGAXDC-VZUCSPMQSA-N 178.195 0.392 50 10 ACGE O=CC1=CC[C@H]2C(=O)C[C@@H]12 218879794 YSXTXRNJZGIDEZ-RQJHMYQMSA-N 136.150 0.721 50 10 ACGE O=C1OC(=O)[C@@H]2C(CCl)=C[C@H]12 238542228 HANLDEMTUWPODF-CRCLSJGQSA-N 172.567 0.481 50 10 ACGE CN1C=CC(=C(C#N)C(N)=O)C=C1 238548596 RNYYAUQPGCGJQX-UHFFFAOYSA-N 175.191 0.265 50 10 ACGE NC(=O)NC(=O)NNc1ccccc1 238581721 QIISDDSKZPKHSK-UHFFFAOYSA-N 194.194 0.391 50 10 ACGE CC[C@@H](C)[C@H](O)/C(C)=N/NC(N)=O 238798207 LQGGEQWMZOQWAR-PLXRWBJNSA-N 187.243 0.438 50 10 ACGE COC(=O)[C@H](Cl)C1(OC)CC1 238799786 UISXLOUCSZWNAW-YFKPBYRVSA-N 178.615 0.946 50 10 ACGE Cc1ccn(CCCl)c(=O)n1 300753501 IHHWZTFZQQSRBL-UHFFFAOYSA-N 172.615 0.791 50 10 ACGE NNC(=O)C[C@@H]1CSCCS1 306237133 FOSKRQOVJXGXJU-RXMQYKEDSA-N 192.309 0.215 50 10 ACGE C[C@H](Cl)c1nnc(CCO)[nH]1 306462751 ANSZHGOIYDTZHD-BYPYZUCNSA-N 175.619 0.639 50 10 ACGE CCO[C@H](O)[C@@H](Cl)[C@H](C)O 306476045 UXAQCOAPVPSLIZ-ZLUOBGJFSA-N 168.620 0.330 50 10 ACGE O=C(N[C@@H]1COC[C@@H]1Cl)C1CC1 306501898 SGAYWJOKZAZDDR-NKWVEPMBSA-N 189.642 0.519 50 10 ACGE CCC(=O)c1cc(C)cc(B(O)O)c1 306723069 QXBBNTAHHRZAAM-UHFFFAOYSA-N 192.023 0.268 50 10 ACGE CC1(C)CC(N2CC(=O)OC(=O)C2)C1 306899571 KBYVUNSYQIESEJ-UHFFFAOYSA-N 197.234 0.560 50 10 ACGE NC(=O)c1cnn(CCCCl)c1 379313414 HIOFQJYCKYSFIN-UHFFFAOYSA-N 187.630 0.611 50 10 ACGE CNNC(=O)c1ccc(C)n1C 606250337 DPIJNOCOUBROSX-UHFFFAOYSA-N 167.212 0.198 50 10 ACGE C[C@H](NC(=O)F)[C@H](C)CN 1880064266 LDDMVARPBWWTMA-UHNVWZDZSA-N 148.181 0.649 50 10 ACGE C[C@@H](CCl)NC(=O)C1COC1 1880147535 HAKZQZMBGFPCKF-YFKPBYRVSA-N 177.631 0.376 50 10 ACGE C[C@H]([C@H](N)CCl)[C@H]1CCNC1 1880216746 PTPDGZOKVYCVND-BIIVOSGPSA-N 176.691 0.798 50 10 ACGE CN(C(=O)F)C1(C(=O)O)CC1 1880313495 YFSYAHPTIYIMFH-UHFFFAOYSA-N 161.132 0.625 50 10 ACGE C[C@@H]1CN(C(=O)F)CC[C@H]1O 1880316771 POIIZYYAYYLSHA-PHDIDXHHSA-N 161.176 0.779 50 10 ACGE O=C(F)N1CC[C@@H](C2(O)CC2)C1 1881033357 NDRKEGMWNKXMRW-ZCFIWIBFSA-N 173.187 0.923 50 10 ACGE Cn1nncc1CCNC(=O)F 1881056001 YPFVIPNDOAWCLM-UHFFFAOYSA-N 172.163 0.037 50 10 ACGE CC(C)(O)[C@@H]1CCN1C(=O)CCl 1881177021 RDVTZGUVWYPULG-LURJTMIESA-N 191.658 0.597 50 10 ACGE Cn1ccn(C[C@@H]2C[C@@H]2Cl)c1=O 1881364401 GXJCKGPQKYBSDZ-BQBZGAKWSA-N 186.642 0.814 50 10 ACGE NC(=O)C1CN(C[C@@H]2C[C@@H]2Cl)C1 1881372725 HAXZAXQYXOKENN-FSPLSTOPSA-N 188.658 0.031 50 10 ACGE C=C(COCCCCC)B(O)O 1881438033 HSTOSZUYHFHFSH-UHFFFAOYSA-N 172.033 0.761 50 10 ACGE NNC(=O)[C@@]12CCC[C@H]1CSC2 1881534401 RYWVGHZXIWYXNJ-POYBYMJQSA-N 186.280 0.510 50 10 ACGE O=C(Cl)C=CC(=O)N[C@H]1CC12CC2 1883626324 FDYOFTSBNUMLNS-LURJTMIESA-N 199.637 0.977 50 10 ACGE C[C@H](CC(=O)NN)OC1C[C@H]2C[C@@H]2C1 1888051160 UBYNJUKJANZATJ-BWZBUEFSSA-N 198.266 0.570 50 10 ACGE C=CC[C@H](C=C)OC[C@@H](C)C(=O)NN 1888720425 BTLGTRHPEOJIOL-BDAKNGLRSA-N 198.266 0.760 50 10 ACGE C[C@H](NC(=O)N(C)N)C1CC1 1888758231 NVIHIQRYQGYJBD-YFKPBYRVSA-N 157.217 0.300 50 10 ACGE OB(O)[C@@H]1CCN(CCCCF)C1 1891560691 WRCQULPVCOCWAE-MRVPVSSYSA-N 189.039 0.285 50 10 ACGE C[C@@H](CCO)N(C)C(=O)CCl 1917095208 CTJORXJXUSQHES-LURJTMIESA-N 179.647 0.455 50 10 ACGE NNC(=O)NC[C@@]12CCC[C@H]1CCO2 1932584529 XRBXWMAWBYOKFU-CBAPKCEASA-N 199.254 0.119 50 10 ACGE CN(N)C(=O)C1(C)CC(F)C1 1932862943 CQJHAEZQAGTZFC-UHFFFAOYSA-N 160.192 0.457 50 10 ACGE CC[C@@]1(C)OCCCC1=NNC(N)=O 1934131482 DWAFJZALLAGKPL-SECBINFHSA-N 199.254 0.990 50 10 ACGE CN(C(=O)NN)[C@@H]1CCC[C@@H]2C[C@@H]21 1934312284 PMRQDUYXLNHXHR-GJMOJQLCSA-N 183.255 0.690 50 10 ACGE CC12CC(C(=O)N=C=O)(CO1)C2 1935033752 MKLDSGMZHWIIDX-UHFFFAOYSA-N 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179.216 0.798 50 10 ACGE O=C(F)N(O)C1CCOCC1 1880316793 PVBUWHWIGMRPNG-UHFFFAOYSA-N 163.148 0.946 50 10 ACGE O=C(F)NCC1CC(CO)C1 1880316945 QLNMFPWISYGEBV-UHFFFAOYSA-N 161.176 0.684 50 10 ACGE CC[C@H]1CN(C(=O)F)C[C@H]1N 1880335990 NVQMTUIKSAWITN-NTSWFWBYSA-N 160.192 0.745 50 10 ACGE C[C@H](Cl)C(=O)c1ncnn1C 1880530758 UGCPRRCMIOBTNC-BYPYZUCNSA-N 173.603 0.625 50 10 ACGE CCOc1n[nH]c(NC(=O)F)n1 1881051855 SNHWRCGOPUGTIT-UHFFFAOYSA-N 174.135 0.705 50 10 ACGE O=C(F)NC[C@@H]1C[C@@H](CO)CO1 1881053670 RXDZPGDBBGDNLS-WDSKDSINSA-N 177.175 0.063 50 10 ACGE C=C(Cn1cc(Cl)cn1)B(O)O 1881441363 BDMIPCLKFDOSIG-UHFFFAOYSA-N 186.407 0.105 50 10 ACGE Cn1nnc2cccc(N=C=O)c21 1882594081 IUQSDQMIMDUAQE-UHFFFAOYSA-N 174.163 0.936 50 10 ACGE COC(=O)[C@@H]1CN(C(=O)F)C[C@H]1C 1882784695 WKXHIKUWGNLJJQ-PHDIDXHHSA-N 189.186 0.817 50 10 ACGE O=C1CN(CC=CC2CC2)CC(=O)O1 1884313893 CVEDKHXXPFCHCC-UHFFFAOYSA-N 195.218 0.338 50 10 ACGE C=C[C@@H](N)C(=O)N1CC=C(C#N)CC1 1886069256 LHOAMKSVPXHRHV-SECBINFHSA-N 191.234 0.182 50 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0.037 50 10 ACGE NC1(B(O)O)C[C@H]2CCCCC[C@@H]2C1 1932856381 ZCQBLOWKRZXWJJ-RKDXNWHRSA-N 197.087 0.686 50 10 ACGE C[C@]12CCO[C@@H]1[C@H](N=C=O)C2 1933415180 NAMGDGDANVYDAI-BWZBUEFSSA-N 153.181 0.890 50 10 ACGE O=C=NCCN1C[C@H]2C[C@H]2C1 1934662971 RRBJBWXIANOJMK-OCAPTIKFSA-N 152.197 0.274 50 10 ACGE C[C@H](Cl)C(=O)CN(C)C 1953138288 GGYVLCCEPQOQOY-YFKPBYRVSA-N 149.621 0.744 50 10 ACGE NC[C@H]1CC[C@H](C(=O)CCl)O1 1953231860 IHMBHPHBCDYKSW-IYSWYEEDSA-N 177.631 0.301 50 10 ACGE CCN1C[C@@H](Cl)[C@@H]2COC[C@@H]21 1953238227 AVDPROZDXZHFAO-RNJXMRFFSA-N 175.659 0.944 50 10 ACGE CNC1(C=C(C#N)C#N)CC1 1953286953 YRMUBXJVMVVIDB-UHFFFAOYSA-N 147.181 0.712 50 10 ACGE C[C@H](Cl)C(=O)Cn1cc(N)cn1 1953446461 PDGAGEDXLPKVOU-YFKPBYRVSA-N 187.630 0.662 50 10 ACGE C[C@H](Cl)C(=O)[C@H](N)[C@H]1CCOC1 1953446790 TVKGKGGHIHPWNU-LYFYHCNISA-N 191.658 0.547 50 10 ACGE C[C@H](Cl)C(=O)[C@H](N)CCN(C)C 1953448284 KKDLUORVSKOACY-NKWVEPMBSA-N 192.690 0.462 50 10 ACGE CC[C@H](Cl)C(=O)N[C@@H](C)[C@@H](C)O 1953516584 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GISVKPGDMNVUOO-PHDIDXHHSA-N 178.615 0.946 50 10 ACGE CC1(O)CN(C(=O)CCCl)C1 170274724 GHLANGOYEXTTKC-UHFFFAOYSA-N 177.631 0.209 50 10 ACGE C[C@@H]1C(=O)O[C@@]12O[C@H]2CCCl 207371124 FBGUMUQLVWMCMY-ZDLURKLDSA-N 176.599 0.903 50 10 ACGE CC/C=C(/N=C=O)C(=O)OC 216211763 VFIUWPNCBGFYOB-GQCTYLIASA-N 155.153 0.789 50 10 ACGE OCC[C@H](O)CCCBr 221901128 IBJVGJCDFALXPO-ZCFIWIBFSA-N 197.072 0.905 50 10 ACGE NNC(=O)N1CCc2ccc(F)cc21 236245459 GMBJILCVDWBNNN-UHFFFAOYSA-N 195.197 0.772 50 10 ACGE CC(=O)O[C@@H]1OCC[C@@H]1Cl 238073007 FZDOCJDXSCIKIG-WDSKDSINSA-N 164.588 0.903 50 10 ACGE CC(C)(CO)[C@H]1CO[C@@H](CCl)O1 238124622 NXESALRWBWODEF-RNFRBKRXSA-N 194.658 0.985 50 10 ACGE CC(=O)OCC#CCOCCl 238139033 YKCDIGIJLIGYLP-UHFFFAOYSA-N 176.599 0.766 50 10 ACGE CC(=O)OC[C@H](CCl)OC=O 238162899 BJABQNGLOSHHCS-LURJTMIESA-N 180.587 0.330 50 10 ACGE C[C@H]1C/C(=N\NC(N)=O)[C@@](C)(O)C1 238440708 VUBMTXZLLKAYDG-JGNHUJDUSA-N 185.227 0.192 50 10 ACGE Cc1coc2ccc(B(O)O)cc12 238550499 LIBFYHYDVOSJND-UHFFFAOYSA-N 175.980 0.421 50 10 ACGE O[C@H]1O[C@H](O)C(CCl)=C1CCl 238716976 KINOZFGTOJPBAG-WDSKDSINSA-N 199.033 0.428 50 10 ACGE Cn1cnc(/C=C/C=O)c1 306156490 DEAIVFMDKSIPKL-NSCUHMNNSA-N 136.154 0.632 50 10 ACGE CCO[C@@H]1C[C@H](Cl)[C@H](CO)O1 306327212 JWIQRZDFECMYDO-ACZMJKKPSA-N 180.631 0.738 50 10 ACGE C[C@H]1CCN(C[C@@H](C)C(=O)NN)[C@H]1C 306558484 PJBLKQDOPLGLSC-YIZRAAEISA-N 199.298 0.343 50 10 ACGE CCc1nocc1/C=N/NC(C)=O 307029653 JFIDXDWPSXHHND-RUDMXATFSA-N 181.195 0.707 50 10 ACGE O=C1C(=O)[C@@H]2C[C@@H]1[C@H](Cl)[C@H]2Cl 307142350 JLKGPXDVXQFLPY-MBMOQRBOSA-N 193.029 0.989 50 10 ACGE CCO[C@@H]1OCC[C@H](Cl)[C@H]1O 307144231 HTCOFJOONDGBRZ-RRKCRQDMSA-N 180.631 0.738 50 10 ACGE C/C(=N\NC(N)=O)C1=CCCN(C)C1 307505549 LASMKDNEHISTCP-YRNVUSSQSA-N 196.254 0.293 50 10 ACGE CS[C@H](/C=C\C=O)[C@@H](C)O 307799359 CUNYRBJXZDGJHO-MLTUQKMXSA-N 160.238 0.854 50 10 ACGE Cn1ccnc1CC[C@@H](O)CCl 308007631 NHRVIYIUZNMLHG-SSDOTTSWSA-N 188.658 0.952 50 10 ACGE C=C/C(C=NNC(N)=O)=C\C 378975618 WOATVSDLRYWKGQ-KNMNDLNKSA-N 153.185 0.773 50 10 ACGE CO/C(=C\C=O)N(C)C 383983794 ZKEGQWPMLCUQEL-XQRVVYSFSA-N 129.159 0.235 50 10 ACGE O=C(CCl)N1CC(OC(F)F)C1 398918768 KVMQKZWVQPQFIP-UHFFFAOYSA-N 199.584 0.675 50 10 ACGE Cl[C@H]1N[C@@H]2NCC[C@@H]2[C@@H](Cl)N1 585664430 HVZPKJZGJBEXGO-DPYQTVNSSA-N 196.081 0.202 50 10 ACGE CNNC(=O)c1cccc(C)n1 606248085 OXXWSJJWYMYPRZ-UHFFFAOYSA-N 165.196 0.254 50 10 ACGE CCO[C@H]1COCC[C@@]1(C#N)N=C=O 686593687 KKTWOIIWHUKOEQ-IUCAKERBSA-N 196.206 0.410 50 10 ACGE C[C@H](C(=O)NN)[C@@H](C)N1C[C@@H](C)[C@@H]1C 706911624 CJBYEGSIQWGCNR-RYPBNFRJSA-N 199.298 0.341 50 10 ACGE CN(N)C(=O)c1ccnc(N(C)C)c1 707534704 IFEDPCMFFKHHHH-UHFFFAOYSA-N 194.238 0.093 50 10 ACGE N#C[C@]1(O)CCC[C@H](CN)C1 724072873 YFKWJEGMNTWMDJ-YUMQZZPRSA-N 154.213 0.390 50 10 ACGE CN(N=Cc1ccc(O)cn1)C(N)=O 767900920 PGSKGCYDQMLTLZ-UHFFFAOYSA-N 194.194 0.132 50 10 ACGE CN1NC(C#N)=C=C1C(F)F 885258060 QFSIZQPYSLFZOW-UHFFFAOYSA-N 157.123 0.592 50 10 ACGE [C-]#[N+][C@@H](C)CCn1cnnn1 1535667243 ZMMGMQUVZKDQHY-LURJTMIESA-N 151.173 0.371 50 10 ACGE O=C(O)CSCCNC(=O)F 1880315254 BEHJIPGMXCEERG-UHFFFAOYSA-N 181.188 0.483 50 10 ACGE CC1(C)OC[C@H](N)C1=CC#N 1880503441 NWWIUJROZDBXAM-ZETCQYMHSA-N 152.197 0.572 50 10 ACGE C=C[C@H](N)C(=O)NC1CC(Cl)C1 1880951422 NUUMTXVEFZREBB-AHXFUIDQSA-N 188.658 0.386 50 10 ACGE C[C@H](Cn1cnnc1)NC(=O)F 1881052346 ZPBPAIQIYTXUTH-RXMQYKEDSA-N 172.163 0.346 50 10 ACGE CCNC(=O)C1(NC(=O)F)CC1 1881053347 NZXSQNFQSKFLSJ-UHFFFAOYSA-N 174.175 0.334 50 10 ACGE C[C@H](N)CCNC(=O)[C@@H]1C[C@@H]1Cl 1881391892 KCQDHMPNZCXXMX-XVMARJQXSA-N 190.674 0.467 50 10 ACGE C#C[C@H](C)CNC(=O)[C@H]1C[C@@H]1Cl 1881399383 DECXYVWDDCLKLL-FXQIFTODSA-N 185.654 0.999 50 10 ACGE Cn1c(CO)nnc1[C@@H]1C[C@H]1Cl 1881401304 RLTVAQNTPJHCLO-RFZPGFLSSA-N 187.630 0.402 50 10 ACGE O=C=NC[C@]12CO[C@](CF)(C1)C2 1881544441 ZCMFRTZWMUGVQA-OCAPTIKFSA-N 171.171 0.841 50 10 ACGE COC(=O)C(C#N)=C[C@@H]1CCCN1 1881843198 IWSCJCNORMCIRM-QMMMGPOBSA-N 180.207 0.361 50 10 ACGE CO[C@H]1C[C@@H](OC)CN(C(=O)F)C1 1882788671 AMTLSSHLOIAJKN-KNVOCYPGSA-N 191.202 0.812 50 10 ACGE Nc1ncc[nH]c1=NC[C@@H]1C[C@@H]1Cl 1883552636 NOOUMUADBUWELJ-WDSKDSINSA-N 198.657 0.520 50 10 ACGE C=C(CN(C)CCC(C)C)B(O)O 1883733424 TZDUYQSEKQCRTO-UHFFFAOYSA-N 185.076 0.533 50 10 ACGE C=C(CN1CCC12CCC2)B(O)O 1883733992 CDHXESKJWKDQJF-UHFFFAOYSA-N 181.044 0.183 50 10 ACGE NC[C@@H]1C[C@@H]1CC(=O)CCl 1886720392 NYLQFXHTCAQQEQ-RITPCOANSA-N 161.632 0.779 50 10 ACGE CN(CC1(O)CC1)C(=O)OCCl 1889042642 PBVIPTPSLBAIIZ-UHFFFAOYSA-N 193.630 0.776 50 10 ACGE CC[C@@H]1CCN1CC(B(O)O)=C(C)C 1889162317 RTBAFMATBFRUBH-SECBINFHSA-N 197.087 0.819 50 10 ACGE C[C@@H]1OC2(CN(C)C(=O)NN)CC1C2 1889730404 KSOLKZIYUOEFNO-PTNSZRNDSA-N 199.254 0.069 50 10 ACGE C[C@H]1[C@H](N(C)C(=O)NN)CC1(C)C 1891752469 IGGJKUWPATTXMT-NKWVEPMBSA-N 185.271 0.936 50 10 ACGE CN1CC[C@H](C=CCN=C=O)C1 1911983031 PUEDSBPKQYVIHZ-VIFPVBQESA-N 166.224 0.830 50 10 ACGE C[C@@H]1CCCN1CC1(C(=O)NN)CC1 1931265657 SVTQCTZFBAJRGQ-MRVPVSSYSA-N 197.282 0.241 50 10 ACGE CN(C(=O)NN)[C@H]1CCC12CCC2 1934044967 BARSAMYGJVHMTG-ZETCQYMHSA-N 183.255 0.834 50 10 ACGE C#CCN(C)C[C@@H](O)CCl 1953190948 OCIHYUXCDQCBSC-ZETCQYMHSA-N 161.632 0.151 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1CNCCN1C 1953450462 YLADWBGHMPLKIR-BQBZGAKWSA-N 190.674 0.086 50 10 ACGE O=C(CCl)[C@@H]1CO[C@H]2CNC[C@H]12 1953514802 JPVBHXZOKZNVCR-JKMUOGBPSA-N 189.642 0.029 50 10 ACGE C[C@@H](Cl)C(=O)N1CC2(CCO2)C1 1953696740 TXBRZGNYBXNRRS-ZCFIWIBFSA-N 189.642 0.615 50 10 ACGE O=C(N=C=S)[C@@H]1CO[C@H]2COC[C@H]12 1954356598 GFLAUUITEMOFHC-QYNIQEEDSA-N 199.231 0.277 50 10 ACGE C[C@@]1(C(F)(F)F)C[C@@H]1NC(=O)NN 1954571005 PSUXIFZJLWNEAV-WVZVXSGGSA-N 197.160 0.500 50 10 ACGE NNC(=O)[C@@]12CCCC[C@H]1NCCC2 1956308268 ZPNXRGFJVSNXOZ-PSASIEDQSA-N 197.282 0.289 50 10 ACGE CN(C(=O)NN)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 1957025539 KIZOBAIKPUXUTQ-ZTKNNBQKSA-N 195.266 0.546 50 10 ACGE CC(=O)NNC(=O)C=CC1CCC1 1963663937 LCNSQEDWQOFFFQ-UHFFFAOYSA-N 182.223 0.510 50 10 ACGE N#CC=C1[C@H]2COC[C@H]1CC(N)C2 2241726181 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124.099 0.950 50 10 ACGE O=C=Nc1cc2n(n1)CCO2 107455249 CUHLZTGEHFAVQG-UHFFFAOYSA-N 151.125 0.243 50 10 ACGE C[C@H](Br)CC(=O)C(=O)O 116062965 CSHLMXXOYOEQKP-VKHMYHEASA-N 195.012 0.814 50 10 ACGE C[C@H]1CN(C(=O)NN)CCS1 123638027 CDQQJSOFXIDRFI-YFKPBYRVSA-N 175.257 0.007 50 10 ACGE COC(=O)N(C)CCC(=O)CCl 128972456 YUFACSVBEUWYRI-UHFFFAOYSA-N 193.630 0.883 50 10 ACGE CN(C[C@H](Cl)C#N)C(C)(C)CO 133455024 XEKGJRXAIZGSAE-SSDOTTSWSA-N 190.674 0.820 50 10 ACGE CCOCC(=O)N[C@H](C)CCl 137154010 YUVJXWKKYNWPCK-ZCFIWIBFSA-N 179.647 0.766 50 10 ACGE N#C[C@H](O)CCCS 146264159 ILTZSIWKTDTDJN-RXMQYKEDSA-N 131.200 0.581 50 10 ACGE COC(=O)/C(C#N)=C1\CCCCN1 167094402 IQSLIBQYHJFHRK-BQYQJAHWSA-N 180.207 0.711 50 10 ACGE C=CCCO[C@@H](CCC)C(=O)NN 212085036 UNCSNWXGTJWZPW-QMMMGPOBSA-N 186.255 0.738 50 10 ACGE NNC(=O)C[C@@H]1CCCOCC1 212520452 GTRNTCIQRXSYDN-SSDOTTSWSA-N 172.228 0.183 50 10 ACGE CC1(C)S[C@H]2CC(=O)N2[C@@H]1N=C=O 238205710 MJUFTRQRKBHCHG-BQBZGAKWSA-N 198.247 0.732 50 10 ACGE 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195.104 0.836 50 10 ACGE C[C@@H](Cl)C[C@H](N)C(=O)O 13347546 RGNIDFUXHFKULB-DMTCNVIQSA-N 151.593 0.416 50 10 ACGE NCCO[C@@H]1OCC[C@H]1Cl 32162140 ZSJOFWZPZIAOPY-RITPCOANSA-N 165.620 0.316 50 10 ACGE O=C=NS(=O)(=O)/C=C/Cl 39283292 HPEPPPFDRRVEBZ-OWOJBTEDSA-N 167.573 0.362 50 10 ACGE C[C@@H](CC(=O)NN)Nc1ccccc1 58839358 UEHKKQXYXJDTOK-QMMMGPOBSA-N 193.250 0.867 50 10 ACGE CC(=O)N1CCNC[C@H]1Cl 60163651 ZOZPIQRRTLQFBF-LURJTMIESA-N 162.620 0.003 50 10 ACGE C[C@H](NC(=O)NN)c1ccsc1 61371221 BUAWWMZRRAMGDW-YFKPBYRVSA-N 185.252 0.982 50 10 ACGE O=C1C2CCN(CC2)[C@H]1CCl 72417420 REQXTZFYMPLWIL-ZETCQYMHSA-N 173.643 0.889 50 10 ACGE CCC(CC)N(C)CC(=O)NN 82467681 JHLLYBOMHPAZGI-UHFFFAOYSA-N 173.260 0.097 50 10 ACGE C[C@@H](O)CCNC(=O)[C@@H](C)Cl 82992488 GSGYUPQGDYSXNV-PHDIDXHHSA-N 179.647 0.501 50 10 ACGE CC(C)[C@@]1(C)NC(=O)OC1=O 100223446 OKQPWIQNBZVOCH-SSDOTTSWSA-N 157.169 0.668 50 10 ACGE N#C[C@H](O)c1ccccc1N 104658073 WMUAOKUZVZGQPQ-QMMMGPOBSA-N 148.165 0.826 50 10 ACGE CC(=O)CNC(=O)CCCl 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WBTDUCQXZRTIHU-UHFFFAOYSA-N 178.615 0.805 50 10 ACGE CCOCNC(=O)[C@@H](C)Cl 238282181 CTTMENYFDKICDC-RXMQYKEDSA-N 165.620 0.724 50 10 ACGE C[C@@H](CBr)NC(N)=O 238382820 YOXLILXQHJVCGV-VKHMYHEASA-N 181.033 0.438 50 10 ACGE C[C@H]1O[C@@H](CCl)CS1(=O)=O 238501817 FOGBTARNZBZGJF-WHFBIAKZSA-N 184.644 0.385 50 10 ACGE Cc1cccc(NNC(=O)CCO)c1 238534482 UYCGFFACGNXHJE-UHFFFAOYSA-N 194.234 0.821 50 10 ACGE NC[C@@H](Cl)[C@H](O)c1c[nH]cn1 238602528 RKYXHNJZXIBIGG-XINAWCOVSA-N 175.619 0.009 50 10 ACGE C[C@@H]1SCCCC1=NNC(N)=O 252659007 RPPXAMOHDHIENU-YFKPBYRVSA-N 187.268 0.926 50 10 ACGE CCOCCN1C=C(C#N)CC1=O 260399520 MRYIDCGHUHQTGH-UHFFFAOYSA-N 180.207 0.663 50 10 ACGE C/C(CCC#N)=N\NC(N)=O 306346825 CFHQYRQGQFWVBT-WEVVVXLNSA-N 154.173 0.334 50 10 ACGE C=C(C=O)[C@@H]1CC[C@@H]2CO[C@H](O)[C@H]21 306425623 HJKLHGXBSGDQRP-RGOKHQFPSA-N 182.219 0.733 50 10 ACGE C[C@@H]1C[C@H](Cl)[C@@H]([N+](=O)[O-])C(=O)N1 306450089 OCIICGSWWMDBBP-MROZADKFSA-N 192.602 0.148 50 10 ACGE C[C@@H]1[C@H](CO)CCN1C(=O)CCl 306606489 HFEVGAFQPYWROL-RQJHMYQMSA-N 191.658 0.455 50 10 ACGE C[C@H](O)CC=N/C(C#N)=C(\N)C#N 307986475 KHJOUTFTWPUDEQ-FCWGHZCLSA-N 178.195 0.046 50 10 ACGE C/C=C\CO[C@H](CCC)C(=O)NN 308064309 IYWWSIXFIMGUMQ-QIUOEGRZSA-N 186.255 0.738 50 10 ACGE CC(=O)NN=Cc1cnc(C)cn1 308136163 FOAGUQBBNAPJSK-UHFFFAOYSA-N 178.195 0.255 50 10 ACGE C[C@@H](CN(C)C)NC(=O)Cl 575496462 LDVWMNCKBFJVEC-YFKPBYRVSA-N 164.636 0.885 50 10 ACGE CCOC(=O)[C@H](Cl)C[N+](=O)[O-] 687728410 KOLGIXBQUJDEST-SCSAIBSYSA-N 181.575 0.434 50 10 ACGE Cn1nnnc1[C@@H](O)CCCCl 687899900 FYASPQFRBVOLDL-YFKPBYRVSA-N 190.634 0.263 50 10 ACGE CC(=O)N(C)[C@@H]1COC[C@@H]1Cl 709427906 BGNJCCZOVCQWTB-NKWVEPMBSA-N 177.631 0.471 50 10 ACGE CC[C@@H](OCC(=O)NN)C1CCC1 719662438 LMUCFMOQIGKHSL-MRVPVSSYSA-N 186.255 0.572 50 10 ACGE O=C=NCc1cnc2n1CCC2 719815632 HYZOQQQATUCMER-UHFFFAOYSA-N 163.180 0.665 50 10 ACGE Cc1nc(C(=O)N(C)N)c(C)s1 885477669 KZGXYDGWIJXZCH-UHFFFAOYSA-N 185.252 0.706 50 10 ACGE CC(C)C(=O)N[C-]1C(C#N)=C=NN1C 885594254 BNLLVSQTWYUHNG-UHFFFAOYSA-N 191.214 0.228 50 10 ACGE C[C-]1C(C=O)=C=NN1[C@@H]1CCC[C@H]1O 885679355 GGXARPDDLBEINT-NXEZZACHSA-N 193.226 0.477 50 10 ACGE C/C=C\C(=O)N(N)CC 1083055374 UVZQEEHFJFOYDT-HYXAFXHYSA-N 128.175 0.285 50 10 ACGE CC=CC(=O)NNC(=O)C(C)(C)C 1876400386 KEPMJKQPADKEGE-UHFFFAOYSA-N 184.239 0.756 50 10 ACGE N[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1Cl 1877521815 XFSDXFKHFNSOHP-MVIOUDGNSA-N 188.658 0.077 50 10 ACGE C=C(COC)C(=O)CCl 1879992333 SQCMVFCCOUIYON-UHFFFAOYSA-N 148.589 0.997 50 10 ACGE C[C@@H](Cl)C(=O)[C@@H](N)CCF 1880013614 DWWLVGWMCGMYDC-UHNVWZDZSA-N 167.611 0.870 50 10 ACGE N[C@H]1CC[C@@H](C(=O)CCl)C1 1880045300 DSBIXUZAZUXYML-RITPCOANSA-N 161.632 0.922 50 10 ACGE CC[C@@H]1NCC[C@]1(O)C#N 1880065192 SGXHTKWWMICHER-BQBZGAKWSA-N 140.186 0.013 50 10 ACGE Cn1cnnc1[C@H]1C[C@@H]1Cl 1880098407 HHEOCSMNVPLXSP-WHFBIAKZSA-N 157.604 0.910 50 10 ACGE ClCC=CCN=c1[nH]nco1 1880173897 ILAITIJTUXOBEO-UHFFFAOYSA-N 173.603 0.698 50 10 ACGE OC[C@H](O)CSC[C@@H]1C[C@@H]1Cl 1880437298 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N[C@@H]1CN(CC2CC(Cl)C2)C1=O 1881403681 NJGSNCAXBCBDLV-KPGICGJXSA-N 188.658 0.173 50 10 ACGE CC1(C)OC[C@@H](N)[C@H]1OC(=O)F 1881463825 RKHCKFLADFNFRT-RFZPGFLSSA-N 177.175 0.597 50 10 ACGE N#CC1CN(C(=O)C=CC(=O)Cl)C1 1883627349 UBVBHNFCHUOWGZ-UHFFFAOYSA-N 198.609 0.290 50 10 ACGE NNC(=O)N[C@H]1CCc2cccnc21 1887727540 SGIRCJRYHCJWDR-ZETCQYMHSA-N 192.222 0.242 50 10 ACGE CO[C@@H]1C[C@@H]2CC(=NNC(N)=O)C[C@H]21 1888316700 UGXBTSREAPPGOE-UIISKDMLSA-N 197.238 0.456 50 10 ACGE C=CCCOC[C@H](C)C(=O)NN 1888707420 IBJJERTUJQQVDQ-ZETCQYMHSA-N 172.228 0.205 50 10 ACGE C[C@H](CN)N(C)C[C@@H](Cl)C#N 1888765176 VUVREJKCURMZAK-RQJHMYQMSA-N 175.663 0.396 50 10 ACGE NNC(=O)NC[C@]1(C2CC2)CCCO1 1922744154 RVPZFWWZWFTXAN-VIFPVBQESA-N 199.254 0.119 50 10 ACGE CCCC[C@H](N)CC(=O)NN(C)C 1928588382 MQGDEXBAEZFBLS-QMMMGPOBSA-N 187.287 0.487 50 10 ACGE NNC(=O)NC[C@@H]1CCC[C@@H](F)C1 1932165227 PNPHXVBBFJYWEL-RNFRBKRXSA-N 189.234 0.688 50 10 ACGE COC[C@@H](Cl)Cc1ncn(C)n1 1934483879 OMBYSYHQHHFWCT-LURJTMIESA-N 189.646 0.611 50 10 ACGE N#C[C@H](O)[C@H](N)C1CC(F)(F)C1 1952958666 STGYRBATHZDHAY-NTSWFWBYSA-N 176.166 0.243 50 10 ACGE N#C[C@]1(O)[C@H]2C[C@H]2[C@H]2C[C@H]21 1953154152 MCXRSBZAPCSLJF-JWHZVDOJSA-N 135.166 0.527 50 10 ACGE C[C@H](Cl)C(=O)[C@@H]1NC[C@@H]2C[C@H]21 1953236584 IGEHVCBGHUQUGR-VWDOSNQTSA-N 173.643 0.791 50 10 ACGE CN(CC1(CF)CCC1)C(=O)NN 1953808665 GRNVUHZGAZOQGN-UHFFFAOYSA-N 189.234 0.641 50 10 ACGE Cc1ccc(C(=O)NN)cc1C(=O)O 1955326585 LULZNKCWTYWXTI-UHFFFAOYSA-N 194.190 0.297 50 10 ACGE O=C(O)[C@]1(CCl)CCCO1 2208927270 NHRZDSBJAZXJFQ-ZCFIWIBFSA-N 164.588 0.859 50 10 ACGE CNNC(=O)c1ccc(C#N)cc1C 2209909734 LHRKTVWRCBOWSU-UHFFFAOYSA-N 189.218 0.731 50 10 ACGE N#CC1(O)CC([C@H]2CCNC2)C1 2241364363 HRBQKSVSNBIQNG-UEJVZZJDSA-N 166.224 0.261 50 10 ACGE CN(N=O)C(=O)NCCF 4921203 RGWOPTCWCOAICV-UHFFFAOYSA-N 149.125 0.279 50 10 ACGE C=CCN(CCOC)C(=O)CCl 8732224 PRXSZGGTNYZBPN-UHFFFAOYSA-N 191.658 0.886 50 10 ACGE O=C(Cl)CCNC(=O)C1CC1 11895478 TYQUNJULBJAOID-UHFFFAOYSA-N 175.615 0.668 50 10 ACGE CCCCN1C[C@@H](N=C=O)CC1=O 19732316 BCYFQONHUPDPBE-QMMMGPOBSA-N 182.223 0.723 50 10 ACGE C[C@H](Cl)C(=O)N[C@H]1CCOC1=O 19812555 WXQASGIRXAVFKB-WHFBIAKZSA-N 191.614 0.045 50 10 ACGE C[C@@H]1CC(=O)NN1C(=O)Cl 39056245 JDVOKSWKFYJAKC-GSVOUGTGSA-N 162.576 0.471 50 10 ACGE O=S1(=O)CCC[C@@H](N=C=S)C1 68941790 HPAQQTGAUFMSCL-ZCFIWIBFSA-N 191.277 0.666 50 10 ACGE CCOC(=O)/C(C#N)=C(/N)CC#N 75569108 BUTAWVUEYULMOH-VOTSOKGWSA-N 179.179 0.200 50 10 ACGE O=C=Nc1ncc[nH]1 75843946 BEPSSQAKMVCCFV-UHFFFAOYSA-N 109.088 0.377 50 10 ACGE CC(C)(C)n1ccnc1C(=O)NN 75848519 CQPPBRNAMJLFEM-UHFFFAOYSA-N 182.227 0.242 50 10 ACGE O=COC(=O)c1ccccc1 79594824 GNNILMDCYQGMRH-UHFFFAOYSA-N 150.133 1.000 50 10 ACGE O=C(Cl)[C@@H](O)CCl 79880935 KKGVRIGJVPWGQH-REOHCLBHSA-N 142.969 0.352 50 10 ACGE C[C@H](O)Cn1cc([C@H](C)Cl)nn1 82018381 NWZZFIWPAYCTLS-WDSKDSINSA-N 189.646 0.959 50 10 ACGE CC[C@@H](C(=O)NN)N1CCC[C@H]1CC 82465705 FXSSJMMYMGUFLX-BDAKNGLRSA-N 199.298 0.629 50 10 ACGE N#CC1=CNN=C[C@]1(C#N)c1ccc[nH]1 90562500 JVTHRFHYNQIQJK-JTQLQIEISA-N 197.201 0.773 50 10 ACGE C=CO[C@H]1CC(=O)N1CCl 104688582 VZZFYGWSDMHOFY-LURJTMIESA-N 161.588 0.901 50 10 ACGE C=CNC(=O)NC(=O)CCl 104722967 YZCWAEBYYHSJRD-UHFFFAOYSA-N 162.576 0.195 50 10 ACGE [C-]#[N+]C1CCN(C)CC1 106166069 ASZQRFSVVDTPTK-UHFFFAOYSA-N 124.187 1.000 50 10 ACGE CN(C)NC(=O)c1cccc(N)c1O 125765735 ICIHHWDBUGYECL-UHFFFAOYSA-N 195.222 0.181 50 10 ACGE C[C@@H]1CO[C@@H](CCl)CN1 160042450 GKADOGBGGSJCOS-RITPCOANSA-N 149.621 0.602 50 10 ACGE COC(=O)[C@@H](Cl)CF 196098654 OLHOYSUOQPIYAJ-VKHMYHEASA-N 140.541 0.736 50 10 ACGE CC(C)(C)c1cccc(B(O)O)c1N 204772706 AHYJDVPJIJGPAR-UHFFFAOYSA-N 193.055 0.246 50 10 ACGE O=C(O)C[C@]1(O)CCC[C@@H]1Cl 211517644 OBBVYDBLOGULCC-CAHLUQPWSA-N 178.615 0.984 50 10 ACGE O=C1O[C@H](CCl)[C@@H]2C=CCN12 212536193 QPNDTPVVUVEVTD-NTSWFWBYSA-N 173.599 0.984 50 10 ACGE CCC/C=C/C(=O)NN(C)C 218685484 AIXBWMIIQCIFBW-VOTSOKGWSA-N 156.229 0.936 50 10 ACGE CC(=O)NCCSC(=O)CCl 225550025 GNUDGEZNKMGZGG-UHFFFAOYSA-N 195.671 0.621 50 10 ACGE COCCN[C@H](CCl)COC 228863909 VKWHINJXPRSSKH-SSDOTTSWSA-N 181.663 0.476 50 10 ACGE CO[C@@H](C)CCC(=O)N=C=O 234734845 GSXPNWXQOXWOKS-LURJTMIESA-N 157.169 0.664 50 10 ACGE CCC[C@H](SC#N)[C@H](O)CO 238268738 BOLSZAKDPBELRE-RQJHMYQMSA-N 175.253 0.723 50 10 ACGE CCOC(=O)[C@]1(N=C=O)C[C@H]1C 238287367 LLUXQTQHTGCTGK-SVRRBLITSA-N 169.180 0.664 50 10 ACGE COCN1C[C@H](CCl)OC1=O 238337814 NGOVOFGOYGNCIJ-YFKPBYRVSA-N 179.603 0.650 50 10 ACGE CC(=O)S[C@@H](C)[C@H](Cl)C(N)=O 238471393 CCSMJDWOMXZSIJ-UCORVYFPSA-N 195.671 0.747 50 10 ACGE C[C@H]1C[C@](O)(C#N)C[C@@H](C)O1 252176658 SDEWOPMTHBIDPS-JIGDXULJSA-N 155.197 0.828 50 10 ACGE O=CNN=Cc1ccccc1[N+](=O)[O-] 254866477 KHKHDOACOYRTMQ-UHFFFAOYSA-N 193.162 0.675 50 10 ACGE CO[C@@H](CN=C=O)C(C)C 258481626 JDPFMQYZABLFFF-ZETCQYMHSA-N 143.186 0.993 50 10 ACGE O=C=NCC1[C@H]2CC[C@H]1CNC2 259731362 MQTASKMZKQOSOF-YUMQZZPRSA-N 166.224 0.568 50 10 ACGE Cl[C@@H]1COC[C@@H]1Nc1cnccn1 306261883 XOFZCNVQMFRVDP-RQJHMYQMSA-N 199.641 0.895 50 10 ACGE N#C/C=C/C1=CCC[C@H](O)[C@@H]1O 306628043 CIYBGGALADWKOW-NGWLPCGSSA-N 165.192 0.508 50 10 ACGE CN1[C@H]2CC[C@@H]1[C@H](O)[C@@H](Cl)C2 306778487 QMVPQXBKMLLNCO-RULNZFCNSA-N 175.659 0.821 50 10 ACGE O=C(Cl)c1ncncc1F 307026430 JUDCAFIDPVXSPN-UHFFFAOYSA-N 160.535 0.995 50 10 ACGE NC(=O)N/N=C/c1cc(Cl)ccn1 307066164 VMRSQPMFILEROR-NYYWCZLTSA-N 198.613 0.737 50 10 ACGE C[C@@H]1O[C@@H]2CC=C(C=O)[C@H]2O1 307376525 VXHMXNFUWVWQMZ-LPBLVHEISA-N 154.165 0.645 50 10 ACGE CN[C@H]1COCC[C@@H]1Cl 606246241 GMRSFWYKSHENDE-WDSKDSINSA-N 149.621 0.602 50 10 ACGE C[C@@H]1C[C@H](O)CCN1C(=O)CCl 606264621 WUAXCQSAPWAZOO-RNFRBKRXSA-N 191.658 0.597 50 10 ACGE O=C=N/C=C/[C@H]1CCCS1(=O)=O 687680689 DYFGIIDODFEYLJ-KGGZQZJCSA-N 187.220 0.413 50 10 ACGE C[C@@H](Cl)C(=O)NC[C@H]1CCN1C 710276782 SMPXXBRUBZJKDH-RNFRBKRXSA-N 190.674 0.434 50 10 ACGE [O-][n+]1ccn(O)c1CCl 713856517 VMGQLZCWUSLLIA-UHFFFAOYSA-N 148.549 0.098 50 10 ACGE CS[C]1CN=C([C@H](O)C#N)S1 725602327 SUJSHOZAVZLWTR-SCSAIBSYSA-N 187.269 0.869 50 10 ACGE 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0.115 50 10 ACGE N#CC(C(N)=O)=C1SCCS1 238621171 RFIQRYIALNLYMP-UHFFFAOYSA-N 186.261 0.687 50 10 ACGE C=CC[C@@H](N)C(=O)Cl 238639810 IXKPFYQPJKRUKO-SCSAIBSYSA-N 133.578 0.655 50 10 ACGE C/N=C/N(C)/C=C(/C)C=O 256206810 WDGRNVHIQXVGCN-ZJLRGQKUSA-N 140.186 0.679 50 10 ACGE CN1CCC[C@H]1CC#CN=C=O 258364414 ZOXKQTYSVCTXBD-SECBINFHSA-N 164.208 0.767 50 10 ACGE N#C[C@@H](O)c1c(O)ccc2c1COC2 260334974 ZHVKWGAMVRNTJE-SECBINFHSA-N 191.186 0.979 50 10 ACGE CC(=O)N/N=C1/CCn2cccc21 306208281 LKJCAZUJVVIVPT-FLIBITNWSA-N 177.207 0.732 50 10 ACGE O=C[C@H]1CC[C@@H](Cl)[C@H](O)C1 306476702 XGLAYSGMKNMBDV-RRKCRQDMSA-N 162.616 0.954 50 10 ACGE Cc1cc(CB(O)O)cs1 306479625 GXIKSJLKBLSYSA-UHFFFAOYSA-N 156.015 0.611 50 10 ACGE NNC(=O)OCc1ccncc1 306676508 WGTOVNIVFUHHCR-UHFFFAOYSA-N 167.168 0.182 50 10 ACGE NNC(=O)C1=CCc2ccccc21 307227097 CUBLIXXYRUKZLE-UHFFFAOYSA-N 174.203 0.616 50 10 ACGE N#C[C@@]1(O)CCCC[C@H]1C(=O)O 307309094 AUDNGEPAIPBHLI-XPUUQOCRSA-N 169.180 0.516 50 10 ACGE C[C@@H]1C[C@@H]1C(=O)NN=C1COC1 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194.238 0.934 50 10 ACGE O=C1CCC[C@@H](O)[C@@H]1Br 36456191 TUIHTZFROXVYQU-XINAWCOVSA-N 193.040 0.864 50 10 ACGE Cn1cc(C(=O)Cl)c(O)cc1=O 39056821 AKYADTJPXGLXGK-UHFFFAOYSA-N 187.582 0.470 50 10 ACGE O=C(O)[C@H](Cl)CS 39258196 UTVLYSKDMZDCDH-UWTATZPHSA-N 140.591 0.608 50 10 ACGE COC/C(C#N)=C(/C)C#N 75525177 HZUAAHLLSJGSDE-SREVYHEPSA-N 136.154 0.996 50 10 ACGE CCCN(C)[C@H](C)CCC(=O)NN 82467063 GQWUPXMHZSNRBX-MRVPVSSYSA-N 187.287 0.487 50 10 ACGE NNC(=O)CCCCS 82473267 OIFRZARMWMQTJN-UHFFFAOYSA-N 148.231 0.076 50 10 ACGE C/C(C=O)=C(\Cl)C(=O)O 104695557 WFOGRPHQBIGTCH-ONEGZZNKSA-N 148.545 0.783 50 10 ACGE CN(C)[S@](=O)CCl 104736180 KNTMBUGDFNMKEO-ZETCQYMHSA-N 141.623 0.408 50 10 ACGE [C-]#[N+]Cc1nnc2n1CCN(C)C2 106569503 AIGASOGFIGUHSQ-UHFFFAOYSA-N 177.211 0.143 50 10 ACGE N#C[C@]1(N=C=O)CCN2CCC[C@H]21 125167957 FOHXKYSVKQGANM-DTWKUNHWSA-N 177.207 0.453 50 10 ACGE CCOC(=O)N(C)CC(=O)CCl 132643674 JWTDEMCUVZEZRG-UHFFFAOYSA-N 193.630 0.883 50 10 ACGE CCOCC(=O)F 140477654 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198.270 0.515 50 10 ACGE CCc1cc(Cl)cc(B(O)O)c1C 2060034687 RVGBIQDJTHDIMW-UHFFFAOYSA-N 198.458 0.891 50 10 ACGE COC(=O)/C=C(\C)NC(=O)CCl 5220534 BUHUYFGVKFEKMD-HWKANZROSA-N 191.614 0.418 50 10 ACGE C[C@@H](NNC(N)=O)c1ccccc1 33878594 UANSEHOWYWIIMA-SSDOTTSWSA-N 179.223 0.921 50 10 ACGE CCN(CCO)C(=O)[C@@H](C)Cl 37830743 ASURGOZUXIDTEN-ZCFIWIBFSA-N 179.647 0.455 50 10 ACGE CC1(C)COC(=O)C=C1C=O 39062560 PYDSICIBMQLFRY-UHFFFAOYSA-N 154.165 0.695 50 10 ACGE CC1=C(C=O)CN2C=NC=C(N)C2=N1 74274681 WHMIBTWLPWRILB-UHFFFAOYSA-N 190.206 0.015 50 10 ACGE CCOC(=O)/C(C#N)=C(\C)NC 75556231 NQGKRIZLGDHUBT-VOTSOKGWSA-N 168.196 0.566 50 10 ACGE C[C@H](CC(=O)NN)N(C)C1CCCC1 82467093 XDBKCKQINIZPOQ-MRVPVSSYSA-N 199.298 0.629 50 10 ACGE CC(/C=C\C=O)=C(\O)C(=O)O 85428662 NNAMJZQBODEBBB-NDEAWQBTSA-N 156.137 0.658 50 10 ACGE CCOC(=O)/C(C#N)=C/O 100330685 WRSKLGBEIICWNP-SNAWJCMRSA-N 141.126 0.515 50 10 ACGE O=C(O)CN=C=S 104703841 KARGJECDNYFOQH-UHFFFAOYSA-N 117.129 0.174 50 10 ACGE CC[C@@H]1CC[C@@H](C)N1C(=O)NN 136395782 PIABXWZGGANVRX-RNFRBKRXSA-N 171.244 0.833 50 10 ACGE CN/C(O)=C(\C#N)C(=O)NC(C)(C)C 137388659 NVHNOHBSYFSZFJ-SREVYHEPSA-N 197.238 0.414 50 10 ACGE CO[C@H]1CSSC[C@@H]1O 148768434 OMXJSIIQCASGNT-WHFBIAKZSA-N 166.267 0.757 50 10 ACGE CCOC(=O)/C=C(\N)CCl 196142063 SWVNSOJBNMGYMO-HYXAFXHYSA-N 163.604 0.631 50 10 ACGE CC(C)(C)c1cc(B(O)O)ccn1 198083840 AUKMAUQROCBPLU-UHFFFAOYSA-N 179.028 0.059 50 10 ACGE NC(=O)NN[C@H]1C[C@H]2CC[C@H]1C2 203832678 LFAIEGDBNKAJCM-ACZMJKKPSA-N 169.228 0.348 50 10 ACGE COc1ccc([C@@H]2C[C@H]2B(O)O)cn1 206066737 IWPAXBUFICKUML-JGVFFNPUSA-N 193.011 0.421 50 10 ACGE CCOC(=O)CCCC[C@@H](O)C#N 223266927 GGSZOOVKFUGNRD-MRVPVSSYSA-N 185.223 0.994 50 10 ACGE N#C[C@@H](O)c1ccc(O)c(CO)c1 224012219 FWORPHPPFVTVKD-SECBINFHSA-N 179.175 0.441 50 10 ACGE COCCN[C@@H](CCl)COC 228863900 VKWHINJXPRSSKH-ZETCQYMHSA-N 181.663 0.476 50 10 ACGE C[C@@H](CSCCC(=O)O)B(O)O 231382858 YLHKCCBUFJNITL-YFKPBYRVSA-N 192.045 0.057 50 10 ACGE O=C(CCl)NCc1ccno1 231883956 BVKIASDKFFQOEL-UHFFFAOYSA-N 174.587 0.530 50 10 ACGE CCN[C@@H]1NC(=N)SS1 238249750 HPGSURXZRATUFA-SCSAIBSYSA-N 163.271 0.799 50 10 ACGE CC[C@@](O)(C(N)=O)[C@H](C)Cl 238300073 XBPJFQPEYABFDX-NJGYIYPDSA-N 165.620 0.240 50 10 ACGE COc1cc(C(=O)NN)cs1 238332812 KUNRKJSHLFWFLM-UHFFFAOYSA-N 172.209 0.360 50 10 ACGE Cc1c(N)cc(F)cc1C(=O)NN 238517940 XWMZYBKWBMWEHJ-UHFFFAOYSA-N 183.186 0.320 50 10 ACGE C=C(CCl)CS(=O)(=O)O 238714338 BIAACHZILOJCJO-UHFFFAOYSA-N 170.617 0.669 50 10 ACGE CC(C)[C@H](C)[C@@H](C#N)C(=O)NN 306337773 XBPCGCKWVLMZRS-NKWVEPMBSA-N 169.228 0.408 50 10 ACGE N#CC1=CN[C@@H](Cl)C=N1 306407136 IXJNLHPYLHNTKF-RXMQYKEDSA-N 141.561 0.590 50 10 ACGE O=C1N[C@H](Cl)N[C@H]2CCS[C@@H]12 306467180 QOGROHORJZUBEC-MRKVFDINSA-N 192.671 0.102 50 10 ACGE COC(=O)C(C#N)=C1OCCCO1 307257650 JRKYZLMSETYWKE-UHFFFAOYSA-N 183.163 0.331 50 10 ACGE CCN(CC#N)C(=O)[C@H](C)Cl 307733744 SWMFBCVSBYXFRQ-LURJTMIESA-N 174.631 0.986 50 10 ACGE CC(C)[C@@H](C)C=NNC(N)=O 307768178 CXHGWCKZLQKDDM-LURJTMIESA-N 157.217 0.933 50 10 ACGE Cc1nn(C)c(C)c1C=NNC=O 308372861 LSEPHEFHPSKPPM-UHFFFAOYSA-N 180.211 0.117 50 10 ACGE CC(=NNC(=O)NN)c1ccccc1 318488717 BRUIJQDTRPNIBK-UHFFFAOYSA-N 192.222 0.584 50 10 ACGE C[C@@H]1OCC(=NNC(N)=O)[C@@H]1C 405654798 DDRLSFNOKAVSRP-UHNVWZDZSA-N 171.200 0.066 50 10 ACGE CC[C@H]1C[C@](C#N)(N=C=O)CO1 575590568 XHNMHPCDOJISAU-JGVFFNPUSA-N 166.180 0.783 50 10 ACGE CC(C)[C@H]1COC[C@]1(C#N)N=C=O 575590613 YUMPVHUVQVBMSO-BDAKNGLRSA-N 180.207 0.887 50 10 ACGE C[C@](O)(C#N)C[C@H]1CCOC1 606245250 ONGBSQCJBCWBBH-HTQZYQBOSA-N 155.197 0.688 50 10 ACGE C[C@H](CO)CN(C)C[C@@H](O)CCl 688944689 BDGNQDWOXCQQBD-YUMQZZPRSA-N 195.690 0.146 50 10 ACGE O=C(N=C=S)[C@]12COC[C@H]1C2 689179519 FOEIAQMSZXOBKS-IYSWYEEDSA-N 169.205 0.652 50 10 ACGE CNNC(=O)[C@]12CCC[C@@H]1C2 704682239 VJHOTIDVOSAEMI-SVRRBLITSA-N 154.213 0.427 50 10 ACGE CCn1nc(C)cc1C(=O)N(C)N 704703684 VYUJIEQYXPAHEH-UHFFFAOYSA-N 182.227 0.157 50 10 ACGE C[C@@H]1COC[C@@H]1C(=O)NCCCl 705160775 IWTUHYNECQTXRA-RQJHMYQMSA-N 191.658 0.624 50 10 ACGE N#C[C@]1(O)CCCN2CCSC[C@@H]21 718403194 SBQUMQMSUIBVRX-RKDXNWHRSA-N 198.291 0.452 50 10 ACGE CC(C)[C@@H](CC(=O)O)N=C=O 757187270 KCEDJJLAEYZJAY-ZCFIWIBFSA-N 157.169 0.822 50 10 ACGE C#CC[C@H](C)OC1=C(C#N)C#CNN1 885505307 TWWGGTLRZZDINS-QMMMGPOBSA-N 187.202 0.219 50 10 ACGE C#CCCNC(=O)/C(C#N)=C\OCC 1146489446 VDKBZZALNVDBQA-HJWRWDBZSA-N 192.218 0.570 50 10 ACGE O=C1C[C@H](c2ncccn2)C(=O)O1 1535737482 UMUHSEQXPDZPGF-RXMQYKEDSA-N 178.147 0.034 50 10 ACGE C/C(C#N)=C\Cn1nnnc1C 1651851390 ZMGZNBPNCMRUNJ-ZZXKWVIFSA-N 163.184 0.451 50 10 ACGE O=C(CCCl)N[C@H]1CC[C@H]1O 1878140180 WKFNTDQJCBXEGR-NTSWFWBYSA-N 177.631 0.255 50 10 ACGE C[C@@H](N)C1CN(C(=O)F)C1 1880055879 PJNVVDPEDIPCHU-SCSAIBSYSA-N 146.165 0.355 50 10 ACGE Cl[C@@H]1C[C@H]1COC1CNC1 1880108118 VMHWGPZKFQWNIT-CAHLUQPWSA-N 161.632 0.602 50 10 ACGE O=C(F)NCCn1cccn1 1880310052 YAMUHPQPWXZCKR-UHFFFAOYSA-N 157.148 0.562 50 10 ACGE O=C(F)NCC1(CO)CCC1 1880316783 PSUXORNVZNHDIX-UHFFFAOYSA-N 161.176 0.828 50 10 ACGE O=C(F)NC[C@H]1CC[C@@H](O)C1 1880317377 XATLQXLNLYTBRG-NTSWFWBYSA-N 161.176 0.827 50 10 ACGE CN(C)CCONCC=CCCl 1880547328 KKNGWOSUBGIIDU-UHFFFAOYSA-N 192.690 0.864 50 10 ACGE CN1CCN(C(=O)F)[C@H](C#N)C1 1881033492 OYEZVPKJMQAUHX-ZCFIWIBFSA-N 171.175 0.215 50 10 ACGE O=C(F)N1CCn2ncnc2C1 1881050678 CECBAJUGUBRMOL-UHFFFAOYSA-N 170.147 0.183 50 10 ACGE NC(=O)C1(NC(=O)F)CCCC1 1881052152 XCJNBHKGIGSOCX-UHFFFAOYSA-N 174.175 0.464 50 10 ACGE N[C@H](CNC(=O)F)CC(F)(F)F 1881055884 WTYFZVCRRCDNMF-VKHMYHEASA-N 188.124 0.945 50 10 ACGE CC1(n2cnnc2CCl)COC1 1881118000 HRKIHMBOAVIJAG-UHFFFAOYSA-N 187.630 0.762 50 10 ACGE O=C(O)c1nnc([C@@H]2C[C@H]2Cl)o1 1881401310 RMHCOFVIRMVRKW-PWNYCUMCSA-N 188.570 0.863 50 10 ACGE CN1CC(NCC2CC(Cl)C2)C1 1881402935 BBXNUANWLDZJPV-UHFFFAOYSA-N 188.702 0.907 50 10 ACGE COC[C@H]1CC[C@]1(C#N)N=C=O 1881653979 ILIAHRBGZODTCB-HTQZYQBOSA-N 166.180 0.641 50 10 ACGE Cc1cc(B(O)O)c(C=O)cc1Cl 1881847287 JLRRAASYNJGYSQ-UHFFFAOYSA-N 198.414 0.141 50 10 ACGE OB(O)[C@@H]1CCN([C@@H]2C=CCCC2)C1 1891491122 HEKXJLYPDJPMCU-NXEZZACHSA-N 195.071 0.644 50 10 ACGE C=C(CN1CC[C@@H](C2CC2)C1)B(O)O 1895240226 WZNZDJZWEANOFG-SNVBAGLBSA-N 195.071 0.287 50 10 ACGE CN(C)C(=N)N1CC=C(C#N)CC1 1921805152 PHRAGNBZRKDOQP-UHFFFAOYSA-N 178.239 0.638 50 10 ACGE CCN(C)NC(=O)CSC1CC1 1923512139 JDUPIZPCWCDLHQ-UHFFFAOYSA-N 188.296 0.865 50 10 ACGE C=CCOCC(=O)NNC(C)C 1923696887 QBGNZOORHGZJDC-UHFFFAOYSA-N 172.228 0.218 50 10 ACGE CC=CC=CC(=O)NNC(=O)OC 1927737365 AVXRKRRBOSGVCA-UHFFFAOYSA-N 184.195 0.506 50 10 ACGE NNC(=O)NCC1CC2(CC2)C1 1928784684 TVEWRJJNJUTMGH-UHFFFAOYSA-N 169.228 0.350 50 10 ACGE CC1(C)CN(C(=O)CCl)[C@@H]1CO 1929728170 XLTVQQBHASCNJQ-ZCFIWIBFSA-N 191.658 0.455 50 10 ACGE Cc1nc([C@@H](C#N)CCl)n(C)n1 1930281730 SILLMOPFZYBNIW-ZCFIWIBFSA-N 184.630 0.970 50 10 ACGE C[C@H]1C[C@H]1OC(=O)N=C=O 1932211179 JNNZFRFRRPXYAZ-CRCLSJGQSA-N 141.126 0.867 50 10 ACGE O=C1CC2(C[C@H]3C[C@@H]3C2)C(=O)O1 1932783833 IEHGNMLNWLJHGC-PHDIDXHHSA-N 166.176 0.876 50 10 ACGE NNC(=O)N1CC([C@H]2CC2(F)F)C1 1933051671 NIGKAARYVGWFEN-RXMQYKEDSA-N 191.181 0.157 50 10 ACGE CN(CC(=O)NN)[C@@H]1CCC[C@H]2C[C@@H]21 1934321688 YHNOADAYSQFYOC-XHNCKOQMSA-N 197.282 0.097 50 10 ACGE CC(C)c1cc(C#N)ccc1B(O)O 1951327521 VXEHZRJSPVDOND-UHFFFAOYSA-N 189.023 0.361 50 10 ACGE N#C[C@H](O)[C@H](N)c1ccco1 1952862858 PFKPLUZVZFPZBG-FSPLSTOPSA-N 152.153 0.164 50 10 ACGE Cn1nncc1[C@H](O)CCl 1952902904 XRFQMXRIXYOKMB-RXMQYKEDSA-N 161.592 0.087 50 10 ACGE CO[C@@H]1CN[C@@H](C(=O)CCl)C1 1953206268 QDLDHZJLCFUAKL-NTSWFWBYSA-N 177.631 0.171 50 10 ACGE O=C(NCCC1COC1)OCCl 1953386974 QUPLPQMLPKXRCR-UHFFFAOYSA-N 193.630 0.945 50 10 ACGE Cc1cc([C@H](N)B(O)O)ccc1Cl 1954756518 WYVMRANVJGWSAL-QMMMGPOBSA-N 199.446 0.660 50 10 ACGE NNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 1955515209 IMZCELJOVZEQEX-XLPZGREQSA-N 199.254 0.117 50 10 ACGE Cc1cnn(C)c1C=CC=O 2054611177 FXMAVUURDPZSLA-UHFFFAOYSA-N 150.181 0.941 50 10 ACGE Cc1cc(Cl)c(B(O)O)c(C#N)c1 2060110759 YYBPJTVOMOGMDS-UHFFFAOYSA-N 195.414 0.200 50 10 ACGE OB(O)[C@@H]1C(F)(F)C12CCOCC2 2069568568 IQUHQTDPUIPSLR-YFKPBYRVSA-N 191.970 0.275 50 10 ACGE CCCN(CC)C(=O)[C@H]1C[C@@H]1B(O)O 2241481667 WZGGQZGXNCOIGH-YUMQZZPRSA-N 199.059 0.108 50 10 ACGE C=C(CC)CN1CCC(B(O)O)CC1 2241741446 NFGZRCCPHNYXSZ-UHFFFAOYSA-N 197.087 0.891 50 10 ACGE C[C@@H]1CCN(CCN=C=O)C1 2242274635 HUAZVCYNVVPXOC-MRVPVSSYSA-N 154.213 0.664 50 10 ACGE CN1CC[C@@H]1COCCl 2246341010 ZNGMLLFMISCPSN-ZCFIWIBFSA-N 149.621 0.903 50 10 ACGE C#CCN1C[C@H]2OC[C@H](CCl)[C@H]2C1 2297074698 DTSBNIYVVBRYRI-IVZWLZJFSA-N 199.681 0.805 50 10 ACGE CC=CCNC(=O)CCl 2316138751 KXDDSIHUJGCSMF-UHFFFAOYSA-N 147.605 0.918 50 10 ACGE O=C(Cl)CN1CCCC1=O 34330020 FDFMICBCWSSWJO-UHFFFAOYSA-N 161.588 0.374 50 10 ACGE CC[C@@H](CO)NC(=O)[C@H](C)Cl 40800173 BYDJEUWMHQNKNC-WDSKDSINSA-N 179.647 0.501 50 10 ACGE Cc1csc(NC(=O)NN)n1 69058563 UIZNDZCLWLGRPH-UHFFFAOYSA-N 172.213 0.447 50 10 ACGE CO/C(C)=C/C=O 75517297 RGYKNOXEEVJMSG-HWKANZROSA-N 100.117 0.736 50 10 ACGE Cn1ccnc1NC(=O)CCl 82276866 HLCOGKYMWKQWEF-UHFFFAOYSA-N 173.603 0.597 50 10 ACGE C[C@@H](SC(C)(C)C)C(=O)NN 82472086 KCVSUGBVGAJLSD-RXMQYKEDSA-N 176.285 0.897 50 10 ACGE C[C@H]1C[C@H]1CN(C)C[C@@H](C)C(=O)NN 82650842 DAWNNSMDJYHCKQ-YIZRAAEISA-N 199.298 0.200 50 10 ACGE CCO/C=N/C(=O)CCl 104711274 ITBIDEUXKFCIJX-QPJJXVBHSA-N 149.577 0.817 50 10 ACGE CCO[C@@H](CCl)C(N)=O 104733967 CJPFESBQNFVKGM-BYPYZUCNSA-N 151.593 0.116 50 10 ACGE [C-]#[N+]CCCC(=O)O 106165857 BSRGWDCFCZTOJK-UHFFFAOYSA-N 113.116 0.770 50 10 ACGE CN(C)/C=C(\C=O)N(C)C 137785679 ZIHJNEZPPMZFGK-FNORWQNLSA-N 142.202 0.150 50 10 ACGE CN1OCC[C@H](Br)C1=O 147037774 VYLPQLZOBWLXJP-BYPYZUCNSA-N 194.028 0.544 50 10 ACGE C[C@H]1[C@H](C)C[C@@H](C)CN1CC(=O)NN 166867518 AOHNMRTWONWGKA-HLTSFMKQSA-N 199.298 0.343 50 10 ACGE C[Si](C)(O)c1ccc(N)cc1 196165636 DNCQUUXDGHZPNN-UHFFFAOYSA-N 167.284 0.673 50 10 ACGE COC(=O)[C@@H]1C=C[C@@H]1C(=O)Cl 196348874 CWQZXNNRFPXBDK-CRCLSJGQSA-N 174.583 0.727 50 10 ACGE O[C@@H]1OCC[C@@H]1Br 197263312 IXIOONLEJGQWIL-IUYQGCFVSA-N 167.002 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