smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NCCN1CCC(O)CC1)OCc1ccccc1 306320515 AXHIICGVTSYREH-UHFFFAOYSA-N 278.352 1.370 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)CCO2 91303585 PPGXPXOAIZQEKL-NSHDSACASA-N 270.373 1.894 0 30 CDAC O=C(Cc1ncon1)Nc1ccc(F)c(F)c1F 93298 XMUVBCRJUTWCJJ-UHFFFAOYSA-N 257.171 1.668 0 30 CDAC Cc1cc(F)c(B(O)OC(C)(C)C(C)(C)O)cc1C 200317185 MRMYRIIWWZNWQP-UHFFFAOYSA-N 268.137 1.696 0 30 CDAC CCOC(=O)[C@]1(C)Oc2cc(Cl)ccc2NC1=O 26340455 PCIDRIIRYWWGPG-GFCCVEGCSA-N 269.684 1.993 0 30 CDAC CN(C)C(=O)C(C)(C)Oc1cc(C(F)(F)F)n(C)n1 132520 AIEGOHSXXXREQH-UHFFFAOYSA-N 279.262 1.685 0 30 CDAC COc1cc(NC(=S)NCCO)c(OC)cc1Cl 13658998 MBOVJZOYFLENCN-UHFFFAOYSA-N 290.772 1.636 0 30 CDAC Oc1nc(C(F)(F)F)nc2n[nH]c(Br)c12 400111341 KNLMQSHQRJTOQO-UHFFFAOYSA-N 283.007 1.840 0 30 CDAC Cn1cc(Br)cc(NC(=O)C2CC2)c1=O 81657020 GAONXBQBHHCMBZ-UHFFFAOYSA-N 271.114 1.496 0 30 CDAC COC(=O)[C@H](O)c1ccc(F)cc1Br 226554368 UGNZWYYUSYFIKO-MRVPVSSYSA-N 263.062 1.795 0 30 CDAC COC(=O)c1nc(Cl)ncc1Br 95929829 NJJLYRIIIIXNPO-UHFFFAOYSA-N 251.467 1.679 0 30 CDAC N#CCC(=O)NN=C(CC(=O)C(F)(F)F)c1ccco1 254814897 YZPSADHVTNKNSD-UHFFFAOYSA-N 287.197 1.535 0 30 CDAC O=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)cn1 155593 PHDRQZOMGZZNCM-UHFFFAOYSA-N 294.254 1.857 0 30 CDAC O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccoc1 21958716 IZVSLAYMDNDPBA-LBPRGKRZSA-N 275.260 1.411 0 30 CDAC O=S1(=O)CC[C@H](c2ccc(Br)cc2)N1 675081442 CMWNNAWFFLRUNQ-SECBINFHSA-N 276.155 1.813 0 30 CDAC CC(C)(C)OC(=O)N[C@@]1(C(=O)O)COc2ccccc2C1 393270124 YTJPMLGYZLYTAP-OAHLLOKOSA-N 293.319 1.970 0 30 CDAC CCOC(=O)[C@H](C(=O)C(F)(F)F)C(F)(F)F 498036680 SGTISEJLUUFWFM-VKHMYHEASA-N 252.110 1.859 0 30 CDAC CC(C)(C)OC(=O)N1CC2(C1)NCCc1nc[nH]c12 334163856 PBAPFLULICIDTE-UHFFFAOYSA-N 264.329 1.001 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](COC1CCOCC1)C(=O)O 380930295 FWGJYHRFHSLXJY-JTQLQIEISA-N 289.328 1.160 0 30 CDAC N[C@H](CN1CCOCC1)C12CC3CC(CC(C3)C1)C2 23066761 VVMFFKSKIAIBCM-IBHBGHMQSA-N 264.413 1.862 0 30 CDAC CC1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)CC1 71792701 GNOUJHHHVHESEW-UMSGYPCISA-N 263.337 1.768 0 30 CDAC O=C(O)C1(c2ccc(Br)cn2)CCOCC1 96899699 LTOCNKYXCZJKIJ-UHFFFAOYSA-N 286.125 1.977 0 30 CDAC O=C(O)c1cc(I)sn1 722970195 KVBRXPTYWPNFQT-UHFFFAOYSA-N 255.036 1.446 0 30 CDAC O=C(NCCO)NCCSc1ccc(F)cc1 4371693 FFDDNVDZMRZBIB-UHFFFAOYSA-N 258.318 1.209 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@]2(CNC[C@@H]2C(=O)O)C1 757184549 LLJFKPUSZRMYQR-QMTHXVAHSA-N 284.356 1.308 0 30 CDAC COC(=O)[C@H](N)c1cc(C)cc(Br)c1 260064473 DYADGDXTDKYDIC-SECBINFHSA-N 258.115 1.930 0 30 CDAC Cc1ccc(Cl)cc1NC(=S)N(N)CCO 104945 WAHITEZEPSQYAF-UHFFFAOYSA-N 259.762 1.513 0 30 CDAC CN1CCC[C@@H](n2cc3cc(F)cc(C(N)=O)c3n2)C1 118481063 MERFKGXARLTHIL-LLVKDONJSA-N 276.315 1.541 0 30 CDAC CCNC(=O)COC(=O)c1c(C)[nH]c(C(=O)OCC)c1C 3597811 GYGRSJMVVZYOPG-UHFFFAOYSA-N 296.323 1.101 0 30 CDAC Nc1ncc(I)c2ccncc12 95929951 DPGNVYNBWBRINQ-UHFFFAOYSA-N 271.061 1.817 0 30 CDAC COc1cc(C2(N)CC2)ccc1NS(C)(=O)=O 95938261 FTCOJUCUCXVWJV-UHFFFAOYSA-N 256.327 1.015 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CC(=O)C12CCOCC2 685945671 ULZYGKDKXVJDFH-VIFPVBQESA-N 255.314 1.649 0 30 CDAC CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1CCCC1=O 95347665 HTINMSUVZLMQEV-MNOVXSKESA-N 269.341 1.992 0 30 CDAC in-vitro CCS(=O)(=O)c1ccc(S(N)(=O)=O)c2ccccc12 2040303 BLQOLXMZXQXGOL-UHFFFAOYSA-N 299.373 1.281 0 30 CDAC C[C@H]1Cc2cc(C3=NN[C@](O)(C(F)(F)F)C3)ccc2O1 114754 FXUQHRFZFYKPLC-JVXZTZIISA-N 286.253 1.958 0 30 CDAC CCOC1(CCS(=O)(=O)c2ccccc2)OCCO1 2570095 IHHXOFVBODUGFT-UHFFFAOYSA-N 286.349 1.588 0 30 CDAC O=C(O)c1c(I)cnc(F)c1F 35569362 NIOGXXMBPXLMPB-UHFFFAOYSA-N 284.987 1.663 0 30 CDAC NC(=O)N1C=CC2=C(c3ccccc31)[C@H](O)[C@@H](O)C=C2 199742571 SYTXQGXYWYVYCA-GXTWGEPZSA-N 270.288 1.144 0 30 CDAC NC(=O)N1C=CC2=C(c3ccccc31)[C@@H](O)[C@@H](O)C=C2 199742543 SYTXQGXYWYVYCA-JSGCOSHPSA-N 270.288 1.144 0 30 CDAC NC(=O)Cc1c[nH]c2cc(Br)ccc12 13379651 VNGQPZHGKOMZAT-UHFFFAOYSA-N 253.099 1.958 0 30 CDAC CCOC(=O)c1cnn2c(=O)c3c([nH]c12)CCCC3 100224605 UUSJNTKYZIHBIH-UHFFFAOYSA-N 261.281 1.078 0 30 CDAC Cn1nc(I)cc1[C@@H]1CCCN1 2265385697 FPBMZIVPZOSZMC-LURJTMIESA-N 277.109 1.449 0 30 CDAC CCCC(=O)N=c1c2ccccc2nc(O)n1CC 253620302 OIRWNYKPOVSISG-UHFFFAOYSA-N 259.309 1.989 0 30 CDAC COC(=O)c1ccc(S(C)(=O)=O)c(C)c1Cl 22013394 BBWCBPYXCNCYAT-UHFFFAOYSA-N 262.714 1.839 0 30 CDAC CC(C)(C)OC(=O)CN1CC[C@@H](Br)C1=O 78017214 CCEDMIFCTNAVOT-SSDOTTSWSA-N 278.146 1.324 0 30 CDAC CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]2O)N1C(=O)OC(C)(C)C 309599855 OQSAJJZJGXXGDD-NNYUYHANSA-N 299.367 1.698 0 30 CDAC CCCCCCN(CP(=O)(O)O)CP(=O)(O)O 5511626 ZXSMUDIPLKKQMI-UHFFFAOYSA-N 289.205 1.139 0 30 CDAC COC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 108165750 MRIVECWIQDKYRS-VIFPVBQESA-N 258.318 1.742 0 30 CDAC COC1([C@@H](NC(=O)OC(C)(C)C)C(=O)O)CCCC1 319415987 DXWRMCNZBMIKBJ-VIFPVBQESA-N 273.329 1.924 0 30 CDAC O=C(O)c1ccc(NS(=O)(=O)NCC(F)(F)F)cc1 95884082 HKGKSKSQILDHFY-UHFFFAOYSA-N 298.242 1.193 0 30 CDAC Cc1cc(Cl)ccc1B(O)OC(C)(C)C(C)(C)O 203630221 TUDGAHFSQLUPOT-UHFFFAOYSA-N 270.565 1.902 0 30 CDAC CC(=O)O[C@H]1CO[C@H](COC(=O)c2ccccc2)O1 22012189 HZFOOXNVWXVDJP-NWDGAFQWSA-N 266.249 1.106 0 30 CDAC CC(C)(C)OC(=O)[C@](N)(CC(=O)O)c1ccccc1F 83259341 ZWSFXOYWGHAFHA-AWEZNQCLSA-N 283.299 1.796 0 30 CDAC CN(C)CCOCC(=O)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265358114 UXQDWARBDDDTKG-FXDBZKHDSA-N 280.412 1.650 0 30 CDAC O=S(=O)(Cc1noc(-c2ccno2)n1)Cc1ccco1 114311 OGMHGCMXNIAXJX-UHFFFAOYSA-N 295.276 1.433 0 30 CDAC Cc1nnsc1C(=O)NC(=O)c1ccccc1O 157588 KFLSGPFLGOGVEN-UHFFFAOYSA-N 263.278 1.122 0 30 CDAC Nc1ccc2nc(SCCCS(=O)(=O)O)[nH]c2c1 5117277 QFAGUXWJUJJJBX-UHFFFAOYSA-N 287.366 1.515 0 30 CDAC CCOCn1cnc(I)c1 38677013 ULXNXDWSOSVTCF-UHFFFAOYSA-N 252.055 1.482 0 30 CDAC CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H]2O1 44167280 WKRBIHIDJVMVGS-CZXHOFHRSA-N 294.303 1.081 0 30 CDAC CC(C)[C@@H](OCCO)C(C)(C)COCCOCCO 5761330 PSYZTTIDPMAIDA-CYBMUJFWSA-N 278.389 1.072 0 30 CDAC COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@H](C)O 5735198 UTHSRMJVXNYLKG-CYDGBPFRSA-N 264.362 1.229 0 30 CDAC C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C\C(=O)O1 100634332 KQNZDYYTLMIZCT-QJNJASIYSA-N 280.364 1.962 0 30 CDAC FC(F)(F)c1cnn2c(Br)cnc2n1 21994029 RXZLFBDCEQEETM-UHFFFAOYSA-N 267.008 1.906 0 30 CDAC COC[C@]1(C)C[C@H](C(=O)O)CN1C(=O)OC(C)(C)C 146226028 LRBXOOFTCQPISS-ZANVPECISA-N 273.329 1.733 0 30 CDAC Cc1cccc(N2C(=O)NS(=O)(=O)c3cnccc32)c1 22063583 QMCVPDNHQUBJPG-UHFFFAOYSA-N 289.316 1.940 0 30 CDAC in-vitro FC(F)(F)[C@@]1(c2nc(-c3ccncc3)no2)CCNC1 111240729 HHBHCPRLXOKQFR-NSHDSACASA-N 284.241 1.925 0 30 CDAC CC(C)C[C@H](CNC(=O)[C@@H](N)C(C)C)CC(=O)O 88272991 TWQINIJWWJMYFQ-JQWIXIFHSA-N 258.362 1.223 0 30 CDAC O=C1c2cccc3c2N(CC3)C(=O)C1(Cl)Cl 34333673 ZBBLKRHUAMJHQN-UHFFFAOYSA-N 256.088 1.946 0 30 CDAC COCCn1cc([C@@H]2[C@@H](CN)CC(=O)N2C(C)(C)C)cn1 958719681 ZJPFYXRHCUMLAM-RISCZKNCSA-N 294.399 1.176 0 30 CDAC O=c1[nH]ccn1Cc1ccc(Br)cc1 27438506 OUNYOFFUHZUOLK-UHFFFAOYSA-N 253.099 1.987 0 30 CDAC CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1N 260710254 JNULORTZABIGPU-GHMZBOCLSA-N 286.372 1.524 0 30 CDAC CC1=C(N)N(CCCC(=O)O)NC(c2ccccc2)=C1 223747011 RJYBRTUYEIREBO-UHFFFAOYSA-N 273.336 1.903 0 30 CDAC COC(=O)/C(N)=C\c1c(C)cc(OC(C)=O)cc1C 242464110 DWFDLYPGZPONMR-UHFFFAOYSA-N 263.293 1.701 0 30 CDAC O=C(O)c1cc2c(Br)cc(F)cn2n1 953063150 IETYXCMTANOPTQ-UHFFFAOYSA-N 259.034 1.934 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccccc1C(F)(F)F 200333261 AADZUNROOTZGGE-UHFFFAOYSA-N 290.090 1.959 0 30 CDAC NS(=O)(=O)c1c(Cl)ccc(Br)c1F 575676401 SBCFSCLAKVIMHS-UHFFFAOYSA-N 288.525 1.889 0 30 CDAC CC(=O)N/C(=C\c1ccc(NC(C)=O)cc1)C(=O)O 4394947 BQKAQRBTGRQBQA-GHXNOFRVSA-N 262.265 1.207 0 30 CDAC O=C(O)CCC(=O)Nc1ccc2c(c1)OCCCO2 4324263 KZUHIEYBYXSCJE-UHFFFAOYSA-N 265.265 1.651 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N1CCC(N)CC1 888084701 DMCRIWJAYVYLLO-OLZOCXBDSA-N 283.416 1.855 0 30 CDAC CC(C)C[C@H](CNC(=O)[C@H](N)C(C)C)CC(=O)O 88272990 TWQINIJWWJMYFQ-CMPLNLGQSA-N 258.362 1.223 0 30 CDAC CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCNCC1 15042135 AZZQVSDOZJSXDW-GFCCVEGCSA-N 299.415 1.358 0 30 CDAC NC1CCN([C@H]2CCN(c3ccc(Cl)cn3)C2)CC1 131979993 KVHKTNBMBCQBEU-ZDUSSCGKSA-N 280.803 1.737 0 30 CDAC Nc1nn(-c2ccccc2Cl)cc1-c1nnn[nH]1 142917 BFMSEBJANBHHJG-UHFFFAOYSA-N 261.676 1.288 0 30 CDAC CC1=NN(C)C(=O)[C@]12CN(C(=O)OC(C)(C)C)[C@@H](C)C2=O 725712275 QPDYXEOREFSSFW-RMLUDKJBSA-N 295.339 1.029 0 30 CDAC CC[C@@H](Sc1nc(CC(=O)O)cs1)C(N)=O 70598193 ZFMRYSRYVCPIOU-ZCFIWIBFSA-N 260.340 1.126 0 30 CDAC CN(C)S(=O)(=O)Cc1cc(Br)ccc1N 393749838 VRCONWRVUGPDPA-UHFFFAOYSA-N 293.186 1.423 0 30 CDAC N=C1NS(=O)(=O)c2cc(Br)ccc21 2265385438 XYVOKRPJHNUUCR-UHFFFAOYSA-N 261.100 1.066 0 30 CDAC CC(C)(C)OC(=O)N1Cc2cncn2[C@H](C(=O)O)C1 310007163 WJCYZEZVBMBACS-VIFPVBQESA-N 267.285 1.260 0 30 CDAC COC(=O)c1cc(Br)c(C)nc1OC 118885280 WHKQQYWEAPWZQI-UHFFFAOYSA-N 260.087 1.948 0 30 CDAC CCOC(=O)[C@@H]1C(=O)C2(CC2)N1C(=O)OC(C)(C)C 2265384445 CJNNZSGRSNTQRH-QMMMGPOBSA-N 269.297 1.271 0 30 CDAC CCCCCC(=O)OC(COC(C)=O)COC(C)=O 113709013 JCBPFEGUQLPQBW-UHFFFAOYSA-N 274.313 1.605 0 30 CDAC COCCN(C(=O)O)S(=O)(=O)c1ccc(C)cc1 141911080 YYENLDFBKACHLV-UHFFFAOYSA-N 273.310 1.310 0 30 CDAC O=C(Nc1nnn[nH]1)c1c(Cl)cccc1Cl 6328938 MYGDEFJIEXWRHD-UHFFFAOYSA-N 258.068 1.759 0 30 CDAC Cc1cccc2[nH]c(B(O)OC(C)(C)C(C)(C)O)cc12 200313644 SRCMCQKFCZUHJZ-UHFFFAOYSA-N 275.157 1.730 0 30 CDAC COc1cc([C@@H]2NC[C@H](O)c3cc(O)ccc32)ccc1O 31274331 STYTWIOMLSAZOK-HOCLYGCPSA-N 287.315 1.832 0 30 CDAC Cn1ncnc1[C@@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1O2 669371585 ILBGWKNNJIGQHY-TVQRCGJNSA-N 280.328 1.050 0 30 CDAC COc1nc(Cl)ccc1[C@]1(C)CCCNC1=O 584627529 WAIMOOPDMOJEIR-LBPRGKRZSA-N 254.717 1.911 0 30 CDAC C[C@@H]1CCC[C@@H](C)N1C(=O)NCCCN1CCOCC1 12857653 CMWFAWFYMKPUAE-ZIAGYGMSSA-N 283.416 1.681 0 30 CDAC CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N 145342828 HWBQJXRREBQWDK-UWVGGRQHSA-N 272.345 1.134 0 30 CDAC CS(=O)(=O)[C@@H]1Cc2cc(Br)ccc2[C@@H]1N 2265384442 BXWABQFMXWSNIX-ZJUUUORDSA-N 290.182 1.418 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]1CCCOC1 69551120 GPJZIGYETVHTQK-UWVGGRQHSA-N 273.329 1.733 0 30 CDAC O=c1[nH]c2cc(C(F)(F)F)cc(Cl)c2[nH]c1=O 6017 JDCKMCIQUXTYQI-UHFFFAOYSA-N 264.590 1.889 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2CN 675080944 XYYZXQOMVJWNJF-ZWNOBZJWSA-N 256.346 1.361 0 30 CDAC NC1=N[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1 173757 HVZBMAKCDGCFLE-KGLIPLIRSA-N 265.316 1.897 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN)C2)C1 238145756 SKJDWIYFGRYNMX-GXFFZTMASA-N 256.346 1.361 0 30 CDAC O=C(O)C[S@@](=O)Cc1ccc(Br)cc1 37921676 MSCOFNSNHPDVDO-CQSZACIVSA-N 277.139 1.782 0 30 CDAC Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)c1 38635747 WQASTRAMHCJTFP-UHFFFAOYSA-N 292.316 1.768 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CC(=O)O)OC[C@H]2C1 91303360 ZCTMOLTVGPBKNK-MXWKQRLJSA-N 285.340 1.733 0 30 CDAC in-vitro CCOC(=O)Cn1nc2n(c1=O)-c1ccccc1SC2 160598 OTUKXWYZLJWUJW-UHFFFAOYSA-N 291.332 1.203 0 30 CDAC CC(C)Sc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2 128041 VJZBYCXCRQADDA-UHFFFAOYSA-N 293.348 1.832 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CO[C@H](CC(=O)O)C2)C1 723846529 UAHRSRFBWCNQER-SECBINFHSA-N 271.313 1.487 0 30 CDAC COC(=O)c1cc(Cl)nc(Br)c1N 114047711 GTTUKRFIGRLUIP-UHFFFAOYSA-N 265.494 1.866 0 30 CDAC CC(=O)N[C@H]1CCO[C@H](c2c(C)nn(C)c2Cl)C1 585662361 WOYIPVCGTUEORG-UWVGGRQHSA-N 271.748 1.738 0 30 CDAC O=C1N[C@@H]2CCCC[C@@H]2[C@H]2CN(c3ccccc3)N[C@@H]12 605704285 XHIYKIMEWHXTLL-KBUPBQIOSA-N 271.364 1.685 0 30 CDAC NS(=O)(=O)NC1c2ccccc2Oc2ccccc21 28230751 OWDBXLPAAVRDSI-UHFFFAOYSA-N 276.317 1.675 0 30 CDAC Cn1cncc1[C@@H](NC(=O)OC(C)(C)C)C(=O)O 90168673 CZXFNLMSXWRADH-MRVPVSSYSA-N 255.274 1.071 0 30 CDAC Cc1[nH]oc(=NS(=O)(=O)c2ccc(N)cc2)c1C 310377151 SGWYOFPLCPFUKP-UHFFFAOYSA-N 267.310 1.096 0 30 CDAC COC(=O)c1cc(N)c(I)c(O)c1 149372917 ZLPHGDLDEVBSRZ-UHFFFAOYSA-N 293.060 1.366 0 30 CDAC C[C@@H]1c2ncc(CCO)n2CCN1C(=O)OC(C)(C)C 396152604 BFRHWKPDXHJGIX-SNVBAGLBSA-N 281.356 1.730 0 30 CDAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)[C@H]2C[C@H]1[C@H](F)C2 307656075 PMCISSGWBZOERM-HXFLIBJXSA-N 259.277 1.807 0 30 CDAC O=C(O)c1nc2c(Br)cc(F)cn2n1 953063146 FGZZXRKBNHRPCJ-UHFFFAOYSA-N 260.022 1.329 0 30 CDAC CCOC(=O)Cn1c2c(c(=N)c3c1CCC3)CCCC2 2066203 MXPFQVVZAQMHRS-UHFFFAOYSA-N 274.364 1.898 0 30 CDAC CCN1N=NC2=C(CO)N(C(=O)OC(C)(C)C)CC[C@H]21 2265347489 DOMNLVYAKCGVKB-SECBINFHSA-N 282.344 1.902 0 30 CDAC COc1ccc(C(N)(C(N)=O)c2ccc(OC)cc2)cc1 72232787 ZGKZUCHMWQPMSD-UHFFFAOYSA-N 286.331 1.391 0 30 CDAC C[C@@H](S[C@@H]1CC(=O)N(c2ccccc2)C1=O)C(=O)O 102730 ARXUAWFYWSOKCR-PSASIEDQSA-N 279.317 1.525 0 30 CDAC CO[C@H]1c2ccccc2[C@H]2OC(C)(C)O[C@H]2[C@@H]1O 2265351527 DMAHTVJNNWSSPZ-XQHKEYJVSA-N 250.294 1.941 0 30 CDAC CC(=O)N[C@H]1CCO[C@@H](c2c(C)nn(C)c2Cl)C1 585662362 WOYIPVCGTUEORG-VHSXEESVSA-N 271.748 1.738 0 30 CDAC O=Cc1n[nH]c2cccc(I)c12 14983491 OHCJDBALOCEDJX-UHFFFAOYSA-N 272.045 1.980 0 30 CDAC CC(C)(C)OC(=O)N1CCN2CC(=O)CC[C@H]2C1 95830688 SQGPUKOULRMPIU-JTQLQIEISA-N 254.330 1.271 0 30 CDAC Nc1nnc(NC(=O)c2ccccc2OC(F)F)s1 93395943 JUMNYDZYWFKWRY-UHFFFAOYSA-N 286.263 1.974 0 30 CDAC COC(=O)c1ccsc1N1C(=O)C=C(C)C1=O 115864 ZYUQDQNUACMJAD-UHFFFAOYSA-N 251.263 1.354 0 30 CDAC Nc1nc(C(F)(F)F)cc(=O)n1N=Cc1cccc(O)c1 254513925 IULBSBHDDPSBTC-UHFFFAOYSA-N 298.224 1.432 0 30 CDAC CC(=O)OCCc1ccc(N)c(CCOC(C)=O)c1C 33611162 NXXVCIXYVCPRHN-UHFFFAOYSA-N 279.336 1.788 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc(OCC2CC2)nc1 200309487 DZGPZGLQBBPUCD-UHFFFAOYSA-N 293.172 1.124 0 30 CDAC COC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 22016584 HPOHGSFWIOTIFP-LBPRGKRZSA-N 251.282 1.436 0 30 CDAC O=C(O)[C@H]1C2CCC(Br)(CC2)[C@@H]1C(=O)O 3128038 UBYOBZLYTYDIOS-HTYJUZMNSA-N 277.114 1.726 0 30 CDAC CCOC(=O)c1nnc(CN(C)C(=O)OC(C)(C)C)[nH]1 117577905 JMHBVGKCJLMKIM-UHFFFAOYSA-N 284.316 1.348 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CCC[C@H](CN)O2)C1 307558616 DMYDETRMQVZCEQ-SNVBAGLBSA-N 256.346 1.504 0 30 CDAC O=C1C=CC(=O)N1C1CCN(Cc2ccccc2)CC1 69744 DQBXVDRKIWDMGP-UHFFFAOYSA-N 270.332 1.576 0 30 CDAC COCCCN[C@H]1CCN(C(=O)OC(C)(C)C)C1 8698518 VBSWFLDDFIIMGJ-NSHDSACASA-N 258.362 1.622 0 30 CDAC CCOc1c(OC)cccc1[C@@H](N)CS(C)(=O)=O 2048484292 CKMFRAFQXIXMCY-JTQLQIEISA-N 273.354 1.138 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CO)CC(C(=O)O)(C1)C2 2265385437 XXYLNGFNUOEMGP-UHFFFAOYSA-N 271.313 1.081 0 30 CDAC CCCNC(=O)c1cn(COC)c2ccccc2c1=O 1548093 RIPDGZHPNKQLDC-UHFFFAOYSA-N 274.320 1.745 0 30 CDAC in-man COCC(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 713060070 AZJNESQYVWRTRP-MRVPVSSYSA-N 279.283 1.847 0 30 CDAC Cn1ncc2c(=O)sc(NC(=O)c3ccccc3)nc21 119538 FFHLQHUMFYNRTA-UHFFFAOYSA-N 286.316 1.642 0 30 CDAC COc1ccc2c(c1)c(C[C@H](N)C(=O)O)cn2C(C)=O 2572385 DMZPIZVTHWGXCO-LBPRGKRZSA-N 276.292 1.264 0 30 CDAC C[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)O 6680491 NKYUDVGTQNQVHW-SECBINFHSA-N 255.295 1.050 0 30 CDAC CN(Cc1cccnc1)C(=O)[C@@H](CO)c1ccccc1 628 GWOKREXNFQNEHW-HNNXBMFYSA-N 270.332 1.816 0 30 CDAC in-man CC(C)[C@H](Br)C(=O)N[C@@H](C(=O)O)C(C)C 32219398 TXBCCLQZSRLUJW-JGVFFNPUSA-N 280.162 1.631 0 30 CDAC O=S(=O)(c1ccc(O)cc1)N1CCC(F)(F)CC1 404932465 JUIHOEKHGDJHQG-UHFFFAOYSA-N 277.292 1.812 0 30 CDAC COc1cc2c(cc1OC)[C@@H](C)N(S(C)(=O)=O)CC2 166907 WMIXBLJVJFAGOV-SECBINFHSA-N 285.365 1.583 0 30 CDAC CN1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O 757185447 REEVDKPQMGJTAN-IINYFYTJSA-N 284.356 1.260 0 30 CDAC CC(C)(C)OC(=O)N1CCN(c2cncc(N)c2)CC1 84677793 NZFUVIYLYULVSP-UHFFFAOYSA-N 278.356 1.721 0 30 CDAC Nc1nc2[nH]c(-c3cccc(Cl)c3)nc2c(=O)[nH]1 88725652 PMHNHEHJMVYTCN-UHFFFAOYSA-N 261.672 1.549 0 30 CDAC COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC[C@@H](C(=O)OC)[C@@H]12 256601825 SZJZYNFPYKENTG-ZNSALQAWSA-N 252.310 1.631 0 30 CDAC CC(C)(C)OC(=O)N1CCN2CC(=O)CC[C@@H]2C1 95830687 SQGPUKOULRMPIU-SNVBAGLBSA-N 254.330 1.271 0 30 CDAC Cc1ccc(S(=O)(=O)CCN2C(=O)CSC2=O)cc1 1038154 RQVYEICUWZZMIS-UHFFFAOYSA-N 299.373 1.464 0 30 CDAC O=S(=O)(NC[C@H]1CCCN1)c1cccc2cnccc12 36458395 CMAVUZPUJHRVSP-GFCCVEGCSA-N 291.376 1.265 0 30 CDAC CS(=O)(=O)c1ccc(N)cc1Br 43597931 HAVPNPRICXWTOM-UHFFFAOYSA-N 250.117 1.435 0 30 CDAC O=c1ncoc2ccc(I)cc12 238531366 PJKOGVBXYMIKJU-UHFFFAOYSA-N 273.029 1.793 0 30 CDAC CS(=O)(=O)c1cccc(C(=O)C(F)(F)F)c1 107767921 BENACAOELGBQFB-UHFFFAOYSA-N 252.213 1.835 0 30 CDAC COC(=O)[C@H]1COC(C)(C)N1C(=O)OCc1ccccc1 34215630 NOPUZHXGIBFGAH-GFCCVEGCSA-N 293.319 1.933 0 30 CDAC biogenic NC(=O)[C@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C1 69593783 FZXHGNNYWOIDPP-VIFPVBQESA-N 299.733 1.496 0 30 CDAC O=C(NCc1ccccc1)c1ccncc1CCO 2524926 FLBGFYZICOBEIF-UHFFFAOYSA-N 256.305 1.546 0 30 CDAC CC(C)SC(C[C@@H](O)[C@@H](O)CO)SC(C)C 1676427 IRUFIBUNWDMBNL-ZJUUUORDSA-N 268.444 1.700 0 30 CDAC COC(=O)[C@@H]1Cc2ccc(Br)cc2C1=O 138001247 HQVLQXSFYKRSER-SECBINFHSA-N 269.094 1.977 0 30 CDAC Cc1cc(Cl)ccc1NC(=S)N(N)CCO 145150 NPBCNFYZVUSQLA-UHFFFAOYSA-N 259.762 1.513 0 30 CDAC CC(C)(N)c1ncc(I)cn1 307383054 CTRWFTPIEXTPQR-UHFFFAOYSA-N 263.082 1.275 0 30 CDAC CCCCCCC(C)(C)C1=[N+](CCO)CCN1CCO 60258237 OBVMJQKKWWFNAG-UHFFFAOYSA-N 285.452 1.694 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C(F)F 258010363 QMDLUAJGJSINFQ-LURJTMIESA-N 253.245 1.962 0 30 CDAC CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc[nH]2)CC1 205403660 BASFCDBVZOSMCW-UHFFFAOYSA-N 280.328 1.103 0 30 CDAC CC(C)(C)OC(=O)Cn1ccc(Br)n1 767931678 BNJKISBYAOXQAB-UHFFFAOYSA-N 261.119 1.987 0 30 CDAC CCOC(=O)CSc1nnc(-c2cccs2)n1N 156845 PPRJTBWWFCKFGG-UHFFFAOYSA-N 284.366 1.376 0 30 CDAC C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)O)O1 227060895 IWONQOADLJEBMT-IWSPIJDZSA-N 259.302 1.532 0 30 CDAC COC(=O)c1cc(C(=O)OC)c2cccc(F)c2n1 34576940 NXKCSRHBHVJMBX-UHFFFAOYSA-N 263.224 1.947 0 30 CDAC CC(C)(C)OC(=O)N1CCC(=O)C[C@]1(C)C(=O)O 45328476 HEXOWQDNTGAAPD-GFCCVEGCSA-N 257.286 1.430 0 30 CDAC CCOC(=O)[C@H](N)c1ccc(Br)cn1 125126154 LLPZPDNPORUEKC-MRVPVSSYSA-N 259.103 1.407 0 30 CDAC O=C(O)CC1(c2ccc(Br)cc2)CNC1 238853260 IVUQSJCWOODKFP-UHFFFAOYSA-N 270.126 1.765 0 30 CDAC COC(=O)c1ccc(OC[C@@H](O)CNC(C)C)c(OC)c1 1995391 MKDCAESMSRQHIN-LBPRGKRZSA-N 297.351 1.220 0 30 CDAC COC(=O)c1ccc(SC(=O)N(C)C)cc1O 33637848 JBLVMCUBAVQXCX-UHFFFAOYSA-N 255.295 1.953 0 30 CDAC CCCCC1(C[C@@H](C)CC)C(=O)NC(=O)NC1=O 1997490 VXPZOGWWCLRTKF-VIFPVBQESA-N 254.330 1.965 0 30 CDAC COC(=O)c1cc(Br)ccc1S(C)(=O)=O 113805454 NICOQGUTVAQIII-UHFFFAOYSA-N 293.138 1.639 0 30 CDAC C[C@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)O 953107791 BLRRNPRDQWHHSS-HNNXBMFYSA-N 272.304 1.484 0 30 CDAC Oc1ccc2nnc3c(Br)cnn3c2c1 15923393 OMRCOTBOGDNZOA-UHFFFAOYSA-N 265.070 1.746 0 30 CDAC COC(=O)[C@@H](C[C@@H]1CCCNC1)NC(=O)OC(C)(C)C 145108976 MIHZSPDEBFBJHD-WDEREUQCSA-N 286.372 1.442 0 30 CDAC Cn1c(=O)cc(Cl)n(Cc2ccccc2)c1=O 95931977 MWCNSJPOPAKLGP-UHFFFAOYSA-N 250.685 1.249 0 30 CDAC CC1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)CC1 5686209 GNOUJHHHVHESEW-RNJOBUHISA-N 263.337 1.768 0 30 CDAC O=C(O)/C=C\C(=O)Nc1ccc(-c2cnco2)cc1 33364869 SQBLWROCPUNQKR-WAYWQWQTSA-N 258.233 1.921 0 30 CDAC O=C(CCCCC(=O)OCCCCO)OCCCCO 5178500 MIPAMDMBINCYQD-UHFFFAOYSA-N 290.356 1.178 0 30 CDAC O=C(O)[C@H]1CC[C@@H]1C(=O)Nc1nnc(C2CC2)s1 147222 JYGYOCODSZVOAV-BQBZGAKWSA-N 267.310 1.465 0 30 CDAC CCOc1cc2c(cc1OCC)[C@@H](CO)NCC2 32099013 CBQAWCGRYSDGHO-GFCCVEGCSA-N 251.326 1.663 0 30 CDAC COCNC(=O)[C@@H](C)NC(=O)OCc1ccccc1 196458800 FHOXXHGFKUKSEY-SNVBAGLBSA-N 266.297 1.021 0 30 CDAC NC(=O)N1C=CC2=C(c3ccccc31)[C@H](O)[C@H](O)C=C2 199742591 SYTXQGXYWYVYCA-TZMCWYRMSA-N 270.288 1.144 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C2CC2)[C@@H](C(=O)O)C1 144227277 XTVNSJSQUVHEML-UWVGGRQHSA-N 255.314 1.964 0 30 CDAC COCCOCCOCCOCCOC(C)C 34064738 ZZFNGRIOLQBARJ-UHFFFAOYSA-N 250.335 1.108 0 30 CDAC COCCNC[C@H](O)C(C)(C)Oc1ccccc1 205079885 XKBBLYSGQCPRSO-ZDUSSCGKSA-N 253.342 1.441 0 30 CDAC COC(=O)[C@H]1CCC(=O)CN(C(=O)OC(C)(C)C)C1 2265381474 KUBNYJCCIOKCEW-VIFPVBQESA-N 271.313 1.376 0 30 CDAC CCC[C@@H](C)C1(CCSC)C(=O)NC(=S)NC1=O 1530824 KEMCRVSPPRNENL-MRVPVSSYSA-N 288.438 1.693 0 30 CDAC biogenic,in-man O=C1N=C(N2CCCCC2)NC(=O)[C@H]1c1ccccc1 101117930 KDOTWNMHLRDQRD-UHFFFAOYSA-N 271.320 1.269 0 30 CDAC CC(C)(C)OC(=O)N1CCNC[C@H]1CCC(=O)O 204685014 VJJNCJHMBQSTDZ-SECBINFHSA-N 258.318 1.060 0 30 CDAC CCCOC(=O)[C@@H](N)Cc1ccnc(Br)c1 2265362021 SBVHHMHKCCPKCD-VIFPVBQESA-N 287.157 1.667 0 30 CDAC NCCc1nc2cc3c(cc2n1CC1CC1)OCCO3 2265385042 RRPPLZAODSNKOT-UHFFFAOYSA-N 273.336 1.719 0 30 CDAC C[C@H](O)CC[C@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2018118 KWKUDHRFXHHXFJ-ONGXEEELSA-N 282.340 1.175 0 30 CDAC O=C(O)C[C@H]1C(=O)Nc2ccc(Br)cc21 71483326 YMNPXOWZYMQCPR-SSDOTTSWSA-N 270.082 1.960 0 30 CDAC COC[C@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 307563017 MCVXVAOZGZKJGE-CHWSQXEVSA-N 265.309 1.405 0 30 CDAC CN(C)c1nc(-c2ccc(F)cc2)nc(N(C)C)n1 3629887 XAHDJBWAPOPLMS-UHFFFAOYSA-N 261.304 1.810 0 30 CDAC CC(=O)C(C)(C)OC(=O)NCCc1ccccn1 2150078 UUVRXEKGQCPCEG-UHFFFAOYSA-N 250.298 1.718 0 30 CDAC CN1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O 757185452 REEVDKPQMGJTAN-YGRLFVJLSA-N 284.356 1.260 0 30 CDAC CSC[C@H](O)Cn1ncc2ccccc2c1=O 69810 RDTDQMJQIXERSQ-SNVBAGLBSA-N 250.323 1.120 0 30 CDAC CC(C)[C@H](NC(=O)[C@H](Br)C(C)C)C(=O)O 32219395 TXBCCLQZSRLUJW-SFYZADRCSA-N 280.162 1.631 0 30 CDAC CCOC(=O)Cc1nc(Br)n(C)c1C 2265385368 OJIIWTDOUJBUSC-UHFFFAOYSA-N 261.119 1.597 0 30 CDAC O=C(O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 5763972 GUGZZMZCHBCBDI-SNVBAGLBSA-N 292.291 1.539 0 30 CDAC CC(=O)N[C@@H](CS[C@@H](CO)c1ccccc1)C(=O)O 5167406 XVYIBLSMGFJYAR-RYUDHWBXSA-N 283.349 1.043 0 30 CDAC in-vitro COc1ccc(CNC(=S)NCCCO)cc1 3467711 SODGBBURLXDMPT-UHFFFAOYSA-N 254.355 1.042 0 30 CDAC O=S(=O)(O)CCC[n+]1cccc2ccccc21 5935250 CBTVLEZOOQHSOC-UHFFFAOYSA-O 252.315 1.405 0 30 CDAC CCOC(=O)CNC(=O)c1cccnc1SC 2155517 MIAWRLCCUGFSNL-UHFFFAOYSA-N 254.311 1.096 0 30 CDAC Cc1cc(N)n(-c2cc(S(=O)(=O)O)ccc2Cl)n1 6070179 LVSMGNXVKQOJGO-UHFFFAOYSA-N 287.728 1.663 0 30 CDAC NC1(CN2CCN(c3ccc(Cl)cc3)CC2)CC1 88131104 TWJQIIYUYDYTQH-UHFFFAOYSA-N 265.788 1.953 0 30 CDAC CN[C@@H](C)c1cccc(N2C[C@H](C)CS2(=O)=O)c1 102178086 CUBYMVJCKPGVNS-QWRGUYRKSA-N 268.382 1.753 0 30 CDAC CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)O)CCO1 2265347437 SNSVCJLUROZPJG-RKDXNWHRSA-N 259.302 1.391 0 30 CDAC COC(=O)c1cc(S(=O)(=O)N2CCSC2)oc1C 1026108 SSRDACLFQAJQLO-UHFFFAOYSA-N 291.350 1.070 0 30 CDAC Nc1ccccc1C(=O)NCCCN1CCCCC1 2162734 YMQPRKLPQDMEAZ-UHFFFAOYSA-N 261.369 1.875 0 30 CDAC CCOC(=O)NC(=S)NCCc1ccccn1 2144158 SKRPQDZNJDAFCI-UHFFFAOYSA-N 253.327 1.245 0 30 CDAC O=C(O)CCCNC(=S)Nc1cccc(F)c1 3134158 PHQHDKTXIPESEQ-UHFFFAOYSA-N 256.302 1.977 0 30 CDAC CCOC(=O)C1=C(C)N[C@H](C(=O)OCC)CS1 20223782 SBGZBZTTZFVAKW-QMMMGPOBSA-N 259.327 1.049 0 30 CDAC N[C@H]1COc2cc(Br)ccc2NC1=O 258160618 HPPKSKIYPBDTCY-LURJTMIESA-N 257.087 1.107 0 30 CDAC COC(=O)c1cc(OCC2CC2)cc(C(=O)O)c1 204322162 SCIYLOIQJQVHRP-UHFFFAOYSA-N 250.250 1.960 0 30 CDAC Cc1noc(C)c1S(=O)(=O)NCc1cccs1 111908 QZEJFJNNVPGAMW-UHFFFAOYSA-N 272.351 1.831 0 30 CDAC NS(=O)(=O)c1cccc(NC(=O)C2CCCCC2)c1 4325280 GYXKUAQUCZGGQG-UHFFFAOYSA-N 282.365 1.853 0 30 CDAC CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1c1ccccn1 953103649 XZKKMRSRPQUMHJ-LLVKDONJSA-N 277.324 1.490 0 30 CDAC CCC[C@@]1(C)O[P@@]2(=O)ON(NC(=O)C(C)(C)O2)C1=O 96332187 CZUNGSDNEWWVKO-DGIBIBHMSA-N 292.228 1.284 0 30 CDAC O=C(O)[C@@H](O)Cc1ccc(I)cc1 84379437 OEGVXMGFCROBGH-QMMMGPOBSA-N 292.072 1.279 0 30 CDAC CC(C)OCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 69553892 PZPXSBUQUCRLAG-VIFPVBQESA-N 261.318 1.779 0 30 CDAC CN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1F 37406164 OZWVWYCHDVAZOF-UHFFFAOYSA-N 281.692 1.184 0 30 CDAC CNC(=O)c1cc(Oc2cccc(C(=O)O)c2)ccn1 40435089 RTAGXGFLSZLPGN-UHFFFAOYSA-N 272.260 1.932 0 30 CDAC Nc1ncc(I)c(C(F)(F)F)n1 95830188 ACVWNLXCHQFXMC-UHFFFAOYSA-N 288.998 1.682 0 30 CDAC COc1cc(Cc2cnc(N)nc2N)cc(OC)c1 5424634 HQXBYBOVCDPXCB-UHFFFAOYSA-N 260.297 1.249 0 30 CDAC Cc1cc(C)c(N2C(N)=NC(N)=NC2(C)C)c(C)c1 71380 GHWJZEDFJMDAHK-UHFFFAOYSA-N 259.357 1.797 0 30 CDAC Cn1ccc(NC(=O)NC(=O)c2c(F)cccc2F)n1 80558 DUVIAYCARMONRF-UHFFFAOYSA-N 280.234 1.660 0 30 CDAC Cn1nc(C(C)(C)C)cc1C(=O)N[C@@H]1CCCCNC1=O 1034470 WTVHILXHAAHYBE-SNVBAGLBSA-N 292.383 1.116 0 30 CDAC C[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 34092502 APBDROVGLRLEDJ-SECBINFHSA-N 291.303 1.944 0 30 CDAC CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](O)C2)CC1 309931000 WEKXSAHMQLCENN-CYBMUJFWSA-N 284.400 1.700 0 30 CDAC CC(C)OCC[C@@H](NC(=O)OC(C)(C)C)C(N)=O 95883587 SYDVJCMDEZOODO-SECBINFHSA-N 260.334 1.180 0 30 CDAC CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](N)CC2)CC1 113684996 URRCSHBKELVFHP-BETUJISGSA-N 283.416 1.809 0 30 CDAC COC(=O)C1=C(N)Oc2ccccc2[C@@H]1C(C#N)C#N 79940 INRPNDSJWJYAHF-NSHDSACASA-N 269.260 1.169 0 30 CDAC Brc1ccc2c(C3CNC3)ncn2c1 91304249 LKJXQZJDNVRPED-UHFFFAOYSA-N 252.115 1.784 0 30 CDAC CCOC(=O)c1c(C)nn(C)c1N[C@H]1CCCC[C@H]1N 725712424 STISHIYTJGMPFK-MNOVXSKESA-N 280.372 1.587 0 30 CDAC COC(CN(C)c1ncnc2sccc12)OC 115973 QUSPRCDTYAETPT-UHFFFAOYSA-N 253.327 1.746 0 30 CDAC C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1 11849280 MNZZDOSKBMCICP-LLVKDONJSA-N 268.382 1.566 0 30 CDAC O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nccs1 117762 SUGSIWBFIBIQDM-JQCXWYLXSA-N 264.306 1.605 0 30 CDAC COc1cc(C(=O)O)ccc1OCCN1CCOCC1 11949081 WESFOKVXHFMNIB-UHFFFAOYSA-N 281.308 1.104 0 30 CDAC CC(C)(O)C(=O)OCC(=O)c1ccc(Cl)cc1 77088 MCZXMACFDSHHCY-UHFFFAOYSA-N 256.685 1.837 0 30 CDAC O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 207860 MPBLVPMGVIUHFH-CFAJVAMVSA-N 299.326 1.096 0 30 CDAC O=S1(=O)CCCN1c1cc(Br)ccn1 227654797 DJFAIISOKAQHSE-UHFFFAOYSA-N 277.143 1.384 0 30 CDAC CC1=N/C(=C/c2ccc(S(C)(=O)=O)cc2)C(=O)O1 44138755 PCQZDINYLAYCEJ-YRNVUSSQSA-N 265.290 1.406 0 30 CDAC Nc1ccc(OCCCN2CCOCC2)c(F)c1 224888822 FPWGARGGRSPJFA-UHFFFAOYSA-N 254.305 1.509 0 30 CDAC CC(C)(C)OC(=O)N1CCC(CO)(NCC2CC2)CC1 299805429 NTQBEWXIIVZYIN-UHFFFAOYSA-N 284.400 1.748 0 30 CDAC O=C(O)[C@@H]1Cc2ccc(Br)cc2CN1 82314918 MRRCQSLPXUIPDE-VIFPVBQESA-N 256.099 1.548 0 30 CDAC O=C1NCCNc2c(I)cccc21 34548835 HCESKYHVILECLD-UHFFFAOYSA-N 288.088 1.447 0 30 CDAC CC(=O)OC(OC(C)=O)c1ccc(S(C)(=O)=O)cc1 173338 UXAAHLLLAUVZHH-UHFFFAOYSA-N 286.305 1.215 0 30 CDAC N=C(N)Nc1ccc(C(=O)Nc2ccccn2)cc1 39073260 CFLCTNCJJAYXJD-UHFFFAOYSA-N 255.281 1.639 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](N)C2(CCOCC2)C1 96957363 ONTHVMDBYONPFK-JTQLQIEISA-N 256.346 1.361 0 30 CDAC Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 299859072 HKKUYICHOOHPHK-IMRBUKKESA-N 298.390 1.390 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)NC(=O)NC1=O 306250188 YJJSPJSDFHVMIJ-ICCCGROCSA-N 295.339 1.127 0 30 CDAC Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 165969 HIUYEVDUASCTAB-UHFFFAOYSA-N 283.740 1.853 0 30 CDAC COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 144168924 CYWMUIXUMIVRHP-QMMMGPOBSA-N 261.343 1.512 0 30 CDAC Cc1cc(B(O)OC(C)(C)C(C)(C)O)cnc1Cl 199178499 VLVYZHIBJYNMIV-UHFFFAOYSA-N 271.553 1.297 0 30 CDAC COc1nc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nc(=N)[nH]1 2265278765 WJXABWZDNUTIBI-SXBOEOOGSA-N 260.341 1.761 0 30 CDAC O=C(Nc1ccc(F)cc1F)C(=S)N1CCOCC1 172857 GUTVRDWSZMOKCT-UHFFFAOYSA-N 286.303 1.563 0 30 CDAC CCOC(=O)c1ccc(Nc2c(OCC)c(=O)c2=O)cc1 3120500 RBHCPTYWPKYLEF-UHFFFAOYSA-N 289.287 1.602 0 30 CDAC Cc1ncc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)[nH]1 44296513 RTVUUCRLFUZYNC-SECBINFHSA-N 269.301 1.239 0 30 CDAC C[C@H]1CC(=O)Nc2cc(Br)cnc2N1 86161028 PPRIEYBQUCZNPO-YFKPBYRVSA-N 256.103 1.987 0 30 CDAC COc1ccc(-c2noc(=O)n2-c2cccnc2)cc1 78258 ZJSSXTVRNCUZFF-UHFFFAOYSA-N 269.260 1.896 0 30 CDAC Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)s1 22176852 KQAFGLWGGFEULK-UHFFFAOYSA-N 269.351 1.835 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccnc1C1CC1 2265362122 MRXCJXZWLPUYGM-UHFFFAOYSA-N 263.146 1.213 0 30 CDAC COc1cccc(OC)c1NC(=O)N1CCOCC1 75364 BCTBAZGJOSHZHX-UHFFFAOYSA-N 266.297 1.568 0 30 CDAC Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc1 102933769 YGDCTWCBJAOTEG-YRRQLQLVSA-N 254.289 1.702 0 30 CDAC CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H]2O1 207450733 WKRBIHIDJVMVGS-BYNQJWBRSA-N 294.303 1.081 0 30 CDAC CCOC(=O)C1(C(=O)OCC)CC1(Cl)Cl 117000857 FRCZICWGQUZPCW-UHFFFAOYSA-N 255.097 1.677 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](NCC(F)F)C1 136578184 ADXDFRBOHXGSIA-QMMMGPOBSA-N 250.289 1.851 0 30 CDAC CSc1cccc(NC(=O)NCCN2CCNC2=O)c1 147083 UVSSRIZQZHDHSS-UHFFFAOYSA-N 294.380 1.555 0 30 CDAC CCN(CC)C(=O)[C@H]1CCC(=O)N1C(=O)c1ccccc1 5845884 BQWDCWDJASHHKV-CYBMUJFWSA-N 288.347 1.686 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@]2(CNC[C@@H]2C(=O)O)C1 757184550 LLJFKPUSZRMYQR-YGRLFVJLSA-N 284.356 1.308 0 30 CDAC O=C(O)c1cc(=O)[nH]c(-c2ccc(Br)cc2)n1 66351901 WKXMUNNDSTVJIU-UHFFFAOYSA-N 295.092 1.898 0 30 CDAC O=C1NCCCCC[C@@H]1I 39270738 YFPAAMKUZJCMGF-LURJTMIESA-N 253.083 1.480 0 30 CDAC C[C@H](C(=O)N[C@H]1CC[C@H](C(=O)O)CC1)n1cccn1 675050797 MJMGYAVEDVEHLG-GMTAPVOTSA-N 265.313 1.204 0 30 CDAC Ic1cn2c(n1)COCC2 575454826 YSCDVTMWRXXAHA-UHFFFAOYSA-N 250.039 1.018 0 30 CDAC NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F 137436817 MVGMXURJMZKGJS-UHFFFAOYSA-N 275.635 1.886 0 30 CDAC Cn1cc(S(N)(=O)=O)c2ccc(Br)cc21 757126680 IRMHZWYISWCJDW-UHFFFAOYSA-N 289.154 1.588 0 30 CDAC COC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@@H]1C[C@@H]2[C@H](C(=O)OC)C1 142085950 SZJZYNFPYKENTG-QAWJZHMJSA-N 252.310 1.631 0 30 CDAC CC(C)(C)OC(=O)NCCN1CCNCC12CCC2 2265384546 RAWNMGSBRKQZOB-UHFFFAOYSA-N 269.389 1.339 0 30 CDAC O=C(CN1CCOCC1)Nc1cccc2cccnc12 20412964 NFICHNGFZUDVNJ-UHFFFAOYSA-N 271.320 1.506 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CNC[C@H]21 105641331 SASHMSTVVLHSHB-KKOKHZNYSA-N 252.358 1.851 0 30 CDAC CC(C)(C)OC(=O)N1C(=O)CC(=O)[C@@H]2CCC[C@@H]21 217846429 CZPCMWRYIGSHBW-BDAKNGLRSA-N 253.298 1.892 0 30 CDAC O=C(O)c1nc(Br)[nH]c1C(F)(F)F 140268177 MQAWCQSXJQPSFK-UHFFFAOYSA-N 258.981 1.889 0 30 CDAC COC(=O)c1ncn2c1CN(Cc1ccccc1)CC2 89195521 XTDKROFPZSQJRR-UHFFFAOYSA-N 271.320 1.686 0 30 CDAC COc1cccc(C(=O)N2CCOC[C@@H]2C)c1N 88650970 CUVVWADWXQTDLR-VIFPVBQESA-N 250.298 1.138 0 30 CDAC in-vitro NC(=O)CN1C(=O)[C@H](c2ccccc2)c2ccccc21 100372235 MVZYGLQQNPFARE-OAHLLOKOSA-N 266.300 1.650 0 30 CDAC in-man CC(C)(C)OC(=O)N1C[C@@H](OC(C)(C)C)[C@H]1C(=O)O 2265384786 YKLNULGKYIWMBK-BDAKNGLRSA-N 273.329 1.874 0 30 CDAC CCOc1cc(C)cc(B(O)OC(C)(C)C(C)(C)O)c1 604970840 VPUXZFKINOCNGG-UHFFFAOYSA-N 280.173 1.647 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc(C(F)(F)F)nc1 220188173 DDLWMHGHPCYJOF-UHFFFAOYSA-N 291.078 1.354 0 30 CDAC COc1ccc(C=Cc2ccnc3nc(=N)[nH]n23)cc1 2265269922 NOYKFXYXXVODHI-UHFFFAOYSA-N 267.292 1.716 0 30 CDAC CCCOc1ccccc1-c1nc(N)c(N)c(=O)[nH]1 22056723 YLVZOEKLCUJRSK-UHFFFAOYSA-N 260.297 1.390 0 30 CDAC in-vitro CCOC(=O)c1c(C)nn(-c2ncccc2N)c1C 110641 IQIAOXXYXORSRB-UHFFFAOYSA-N 260.297 1.643 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)O)C(=O)O 238855053 QHESFWVJLHHFJC-QMMMGPOBSA-N 261.318 1.468 0 30 CDAC NC[C@H](O)COc1ccc(OCc2ccccc2)cc1 22164751 BUDGFVPYCANIRC-AWEZNQCLSA-N 273.332 1.964 0 30 CDAC COC(=O)c1ccc(Cn2nc(OC)ccc2=O)cc1 134503071 WNEVZHNPHRSOBK-UHFFFAOYSA-N 274.276 1.087 0 30 CDAC COc1cc(C(=O)NC(C)(C)CCO)cc(OC)c1OC 4323738 KOPPRFOGEWOBIX-UHFFFAOYSA-N 297.351 1.603 0 30 CDAC CNCc1ccc(CN(CCOC)CCOC)cc1 52571472 OSSWXXWVLVXBJO-UHFFFAOYSA-N 266.385 1.501 0 30 CDAC CSc1ncccc1B(O)OC(C)(C)C(C)(C)O 203633211 RSFBQGDPKFVCAP-UHFFFAOYSA-N 269.175 1.057 0 30 CDAC C1=C[C@@H]2C[C@@]3(C=c4ccccc4=C13)CC21OCCO1 263584567 WONUYULYMDCCPH-CJNGLKHVSA-N 252.313 1.341 0 30 CDAC CCOC(=O)c1ccc(N2C(=O)CSCC2=O)cc1 101021 DPBQUURQOOBEID-UHFFFAOYSA-N 279.317 1.470 0 30 CDAC CC(C)(C)OC(=O)NC[C@H]1CNCC12CCOCC2 238854973 PZLMGEJAUYZYLM-LLVKDONJSA-N 270.373 1.527 0 30 CDAC CNC(=O)N(C)C(=O)N1CCN(c2ccccc2)CC1 33884279 GLQHCAAZRUCUKS-UHFFFAOYSA-N 276.340 1.200 0 30 CDAC O=C1N[C@@H]2CCCC[C@@H]2[C@H]2CN(c3ccccc3)N[C@H]12 605704287 XHIYKIMEWHXTLL-TUVASFSCSA-N 271.364 1.685 0 30 CDAC C[C@H](N)c1ccc(Br)cc1OCCO 132039154 NVWXKUUAGIRMSO-ZETCQYMHSA-N 260.131 1.840 0 30 CDAC Cn1cc(I)c(Br)n1 147183858 FTFNNSZUIOUGPW-UHFFFAOYSA-N 286.898 1.787 0 30 CDAC COc1cc(OC)c(C(=O)CCCO)c(OC)c1 98129228 CCPVPBCKLIVPAY-UHFFFAOYSA-N 254.282 1.668 0 30 CDAC C[C@H](C(N)=S)N1CCN(C(=O)OC(C)(C)C)CC1 70995645 UFABUBXXUVUTQR-SECBINFHSA-N 273.402 1.214 0 30 CDAC COC(=O)C(C)(C)Cn1cc(Br)cn1 86593605 IOJYFTXWWBREPI-UHFFFAOYSA-N 261.119 1.845 0 30 CDAC CN(c1ccccc1)c1ccncc1S(N)(=O)=O 95935490 MSVLBVSRWKHZDB-UHFFFAOYSA-N 263.322 1.497 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@](O)(C(C)(C)C(=O)O)C1 258670080 VIYYIXBYMDUZGH-CYBMUJFWSA-N 273.329 1.469 0 30 CDAC O=C(O)c1nccnc1C(=O)N1CCc2ccccc2C1 4324660 IRFVKWBDULSNMK-UHFFFAOYSA-N 283.287 1.373 0 30 CDAC CCOC(=O)c1nc(Br)[nH]c1C(=O)OCC 32500032 LLLJVHWZSXJKSG-UHFFFAOYSA-N 291.101 1.526 0 30 CDAC NC(=O)[C@@H](O)c1ccc(OCc2ccccc2)cc1 39134929 KGGCALWYJQVXHC-AWEZNQCLSA-N 257.289 1.784 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 58040705 MCGRQQABSNLPCL-LBPRGKRZSA-N 297.399 1.065 0 30 CDAC COCCOCCn1c(CCN)nc2ccccc21 70483409 CGOGGKQBEVLDMF-UHFFFAOYSA-N 263.341 1.201 0 30 CDAC C[C@]1(O)C[C@](C(F)(F)F)(C(F)(F)Cl)OC1=O 1852775 HPVZASNIUXQIPA-CRCLSJGQSA-N 268.565 1.817 0 30 CDAC CCOC(=O)[C@H]1C(=O)C2(CCC2)N1C(=O)OC(C)(C)C 2265384676 HYBNGBWBIFBZKS-SECBINFHSA-N 283.324 1.661 0 30 CDAC COC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 22016589 HPOHGSFWIOTIFP-GFCCVEGCSA-N 251.282 1.436 0 30 CDAC Clc1ccc([C@@H]2NN=C(c3cnccn3)N2)cc1 127456 RDOSYEGDOXESAW-NSHDSACASA-N 259.700 1.683 0 30 CDAC CSc1nnc(-c2ccc(S(=O)(=O)O)s2)n1C 4363976 STNGQKUJBWDQHK-UHFFFAOYSA-N 291.379 1.512 0 30 CDAC CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]2O)N1C(=O)OC(C)(C)C 91303159 OQSAJJZJGXXGDD-QCNOEVLYSA-N 299.367 1.698 0 30 CDAC COc1ccc(Br)c(OC)c1C(N)=O 93105 DPDQIKPORRDZJR-UHFFFAOYSA-N 260.087 1.565 0 30 CDAC N=C(N)NC(=N)Nc1nc(-c2ccccc2)cs1 89397 QJCCJCDEYRVCQG-UHFFFAOYSA-N 260.326 1.640 0 30 CDAC O=C1CC[C@@H](C(=O)OCC(Cl)(Cl)Cl)N1 33986563 UHZBUEBSVFCHDH-BYPYZUCNSA-N 260.504 1.178 0 30 CDAC CC(C)C[C@H](CNC(=O)[C@@H]1CNC[C@H]1C)CC(=O)O 88273112 CRKZNIRNWJFKKF-GRYCIOLGSA-N 270.373 1.095 0 30 CDAC O=C1CSCC(=O)N1c1ccc(F)c(F)c1F 102959 DQFQFOZQEYNEDL-UHFFFAOYSA-N 261.224 1.710 0 30 CDAC COc1cc(CCN)cc(Br)c1OC 37720677 IDCGMROWYPOYMN-UHFFFAOYSA-N 260.131 1.968 0 30 CDAC O=C(O)c1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1C2=O 39245193 XNKPQVUJZSWOAR-UHFFFAOYSA-N 296.234 1.858 0 30 CDAC CN(CC(=O)N1CCOCC1)Cc1c(N)cccc1Cl 5699119 XOVFORNMFWVHSY-UHFFFAOYSA-N 297.786 1.213 0 30 CDAC O=C(NC[C@H]1CCCNC1)Nc1ccc(F)cc1 19407749 VWSSTYUJKMKTDF-JTQLQIEISA-N 251.305 1.947 0 30 CDAC COc1ccc(CCN(C)C2CCNCC2)cc1OC 20436230 PBOWNRDODVAQOE-UHFFFAOYSA-N 278.396 1.930 0 30 CDAC CCOc1cc2c(cc1OCC)[C@H](CO)NCC2 32099012 CBQAWCGRYSDGHO-LBPRGKRZSA-N 251.326 1.663 0 30 CDAC CN1C[C@H](C(N)=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21 144841850 OEVHDXFBOKGRLN-SCDSUCTJSA-N 269.348 1.613 0 30 CDAC COC(=O)[C@H](Oc1ccccc1C(N)=O)c1ccco1 38632878 NZGLPWKKPRXQTJ-GFCCVEGCSA-N 275.260 1.672 0 30 CDAC Cn1cc([C@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)cn1 584880001 QIBIDNFFBJETLH-MNOVXSKESA-N 265.357 1.455 0 30 CDAC COC(=O)[C@@](O)(NC(=O)c1cccc(C)c1)C(F)(F)F 4336768 JEEYVBYUYIIIEC-NSHDSACASA-N 291.225 1.149 0 30 CDAC COc1cc2c(c(OC)c1OC)CC[C@@H]2C(=O)O 35569543 PSCIKICHKWTSRA-QMMMGPOBSA-N 252.266 1.827 0 30 CDAC O=C(N[C@H]1CC[C@@H](C(F)(F)F)NC1)C(F)(F)F 238854449 NSDVKSZMTZNBGK-WHFBIAKZSA-N 264.169 1.348 0 30 CDAC CN(CCO)S(=O)(=O)c1ccc2cc(O)ccc2c1 5965613 BNGPSCLHKGSOLB-UHFFFAOYSA-N 281.333 1.158 0 30 CDAC Clc1ccc(-c2nnnn2-c2cnccn2)cc1 92164 AQJCHJIYLMFBSE-UHFFFAOYSA-N 258.672 1.773 0 30 CDAC COc1ccc(I)cc1CC(=O)O 336254 FXELFKNHHAYLLV-UHFFFAOYSA-N 292.072 1.927 0 30 CDAC CCOC(=O)c1cc(O)c2c(c1)O[C@@H](OCC)O2 220727200 PNWDLLDLUVFQKY-GFCCVEGCSA-N 254.238 1.660 0 30 CDAC Cc1cc(OC[C@@H]2CNC(=O)O2)cc(C(=O)O)c1 147155551 CCDRNXIYZLKSQD-JTQLQIEISA-N 251.238 1.180 0 30 CDAC N[C@@H](Cc1csc(Br)c1)C(=O)O 96896958 AIKYXJKPTHOFIR-YFKPBYRVSA-N 250.117 1.465 0 30 CDAC Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@H](O)[C@H]2O)cc1 901789 FSVMLWOLZHGCQX-ZNMIVQPWSA-N 290.271 1.331 0 30 CDAC biogenic,in-vitro NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 400332112 BZKOZRCBWYZGFG-MRXNPFEDSA-N 252.261 1.992 0 30 CDAC Cc1c([C@@H]2CNC[C@H]2C(=O)OC(C)(C)C)cnn1C 390821989 ANSXENIQCWFTMP-NWDGAFQWSA-N 265.357 1.373 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCNCCC1(F)F 616569054 MGZSHNFZZFGRPG-MRVPVSSYSA-N 250.289 1.898 0 30 CDAC CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2N 96034434 RSUOYMZSXZUASP-IXBNRNDTSA-N 256.346 1.263 0 30 CDAC CO[C@@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]2[C@]12COC(C)(C)O2 2265351535 DWVZUXOQXNSGDB-DEKYYXRVSA-N 286.324 1.016 0 30 CDAC COc1c(Cl)cc(Cl)cc1S(N)(=O)=O 71577270 FBTHDSNBMUFPFA-UHFFFAOYSA-N 256.110 1.649 0 30 CDAC COc1cc(/C=C/C(=O)O)cc(OC)c1OC(C)=O 2524636 ATOGPJBNWPDOAB-SNAWJCMRSA-N 266.249 1.727 0 30 CDAC O=S(=O)(c1ccc(Cl)cc1)n1cc2c(n1)CCOC2 110439 PVLVFAVOCXVCRB-UHFFFAOYSA-N 298.751 1.846 0 30 CDAC C[C@]1(O)C[C@@](C(F)(F)F)(C(F)(F)Cl)OC1=O 1852778 HPVZASNIUXQIPA-WHFBIAKZSA-N 268.565 1.817 0 30 CDAC C[C@H]1C[C@]2(C[C@@H](C)O1)C(=O)NC(=O)c1ccccc12 263589872 STVRKNODLUFAKS-RTUWITSCSA-N 259.305 1.782 0 30 CDAC Cc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1 6426909 BVJCEOSLVIARID-NSHDSACASA-N 255.339 1.140 0 30 CDAC CC(C)[C@@](CCN1CCOCC1)(C(N)=O)c1ccccc1 32130359 CQQQDWPTFATORJ-QGZVFWFLSA-N 290.407 1.788 0 30 CDAC O=S(=O)(NC1CC1)c1nc2ccccc2s1 95077864 UQPQZWZQBLAFPV-UHFFFAOYSA-N 254.336 1.737 0 30 CDAC CC1(C)CC2=C(O)C3=C(C[C@](C)(O)[C@@H]2C1)C(=O)O[C@@H]3O 139046062 GINCJTIDIQXYHK-DVJZZOLTSA-N 280.320 1.561 0 30 CDAC CCC1(C2=C[C@H]3CC[C@@H](C2)C3)C(=O)NC(=O)NC1=O 31623149 MKELYWOVSPVORM-DTWKUNHWSA-N 262.309 1.495 0 30 CDAC world COC(=O)/C(=C/C1CCOCC1)NC(=O)OC(C)(C)C 112953544 BFTVMWCZNHZWEB-LUAWRHEFSA-N 285.340 1.995 0 30 CDAC NC(=O)c1ncn2c(C(=O)O)cc(-c3ccccc3)nc12 9156715 QGWHUWMWFWEBPO-UHFFFAOYSA-N 282.259 1.193 0 30 CDAC Cc1nc(C(F)(F)F)ccc1NC(=O)/C=C\C(=O)O 33380691 BLIQDCDEUPEGRX-PLNGDYQASA-N 274.198 1.988 0 30 CDAC Cc1oc(=O)c(Cc2c(O)c(C)c(C)oc2=O)c(O)c1C 15268753 DATAFHMYYHJRSS-UHFFFAOYSA-N 292.287 1.829 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1 575555923 DONLAKDVNUXGSC-IRCOFANPSA-N 252.358 1.851 0 30 CDAC CC(=O)N(C)c1ccc(OC[C@@H](O)CNC(C)C)cc1 2001872 GNBAJVHACSTUPO-AWEZNQCLSA-N 280.368 1.407 0 30 CDAC O=[S@](c1ccc(Br)cc1)[C@H]1CCNC1 218865910 MPAHNBYROKVVRL-IINYFYTJSA-N 274.183 1.919 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)CC(=O)N2 953115683 VISNDEFTKMWYOC-SNVBAGLBSA-N 284.356 1.027 0 30 CDAC NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21 896942 PRGQOPPDPVELEG-ZIAGYGMSSA-N 270.288 1.984 0 30 CDAC biogenic,in-vitro C[C@H](O)CC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2018120 KWKUDHRFXHHXFJ-GXSJLCMTSA-N 282.340 1.175 0 30 CDAC CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1F 255982955 KGDKZXWLTPVXED-CLHCLYRXSA-N 284.283 1.171 0 30 CDAC COc1cc2c(cc1OC)CN1CC[C@H](N)C[C@H]1C2 252492501 MNWGSSRBSMFBHW-QWHCGFSZSA-N 262.353 1.552 0 30 CDAC CC(C)(C)OC(=O)NC[C@]1(CC(=O)O)CCOC1 725461287 ZRJWGOXTDLFADM-GFCCVEGCSA-N 259.302 1.393 0 30 CDAC NS(=O)(=O)c1c[nH]c2c(Br)cccc12 685945682 CFIHUZYOARGVEW-UHFFFAOYSA-N 275.127 1.578 0 30 CDAC CO[C@@H]1CC(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@]12COC(C)(C)O2 2265351538 DWVZUXOQXNSGDB-ZHPDPMBESA-N 286.324 1.016 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H]1CCCCO1 695031010 JWTOLTDCGMMLII-IUCAKERBSA-N 259.302 1.533 0 30 CDAC Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)O)CC2 75107981 JIMLTWCFBZCLRR-ZCFIWIBFSA-N 260.215 1.993 0 30 CDAC in-vitro COC(=O)c1c(C(=O)O)[nH]c2cc(Cl)ccc2c1=O 81971429 JERBLEWVWBLVCO-UHFFFAOYSA-N 281.651 1.666 0 30 CDAC CCOC(=O)c1cnn(-c2ncnc3sccc23)c1N 116008 CZCRNASMEPAFJB-UHFFFAOYSA-N 289.320 1.636 0 30 CDAC O[C@@H](Cn1cc(Br)cn1)C(F)(F)F 82680388 ZYKHMZGMFVVBRB-YFKPBYRVSA-N 259.025 1.569 0 30 CDAC CC(C)(C)c1ccc(C(=O)N(CCO)CCO)cc1 5355374 MOXXEYNPPNSCTN-UHFFFAOYSA-N 265.353 1.411 0 30 CDAC Cc1nn(-c2ccccc2)nc1C(=O)Nc1nncs1 90995 DAZFGUFVMRKQBE-UHFFFAOYSA-N 286.320 1.680 0 30 CDAC COCc1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 95348278 MBMVISZTBHXGJI-SECBINFHSA-N 299.327 1.524 0 30 CDAC in-vitro CO[C@]1(c2nnc(Br)s2)CCOC1 306867734 PXOMLKFIXVINFK-SSDOTTSWSA-N 265.132 1.563 0 30 CDAC CC(=O)N[C@@H](CSC(F)(F)C(F)F)C(=O)O 5167311 WTKFIVHIYDNBBD-BYPYZUCNSA-N 263.212 1.167 0 30 CDAC CCOC(=O)c1csc([C@H](O)C[C@@H](N)C(C)C)n1 204043273 PFEWVHRFKMMROI-PSASIEDQSA-N 272.370 1.727 0 30 CDAC CSc1ccccc1B(O)OC(C)(C)C(C)(C)O 200334418 QWJPARCCCYMGRD-UHFFFAOYSA-N 268.187 1.662 0 30 CDAC CCOc1ccc([C@@H](N)CS(C)(=O)=O)cc1OC 36293742 GQCGKOCDUDCTJT-JTQLQIEISA-N 273.354 1.138 0 30 CDAC in-vitro O=C(NCn1nnc2ccccc21)c1cccnc1 5520689 RHSYLHHOZAFTAJ-UHFFFAOYSA-N 253.265 1.214 0 30 CDAC COC(=O)c1cc(S(=O)(=O)N2CCCC2)oc1C 114930 AIYGZFQYRAVTRE-UHFFFAOYSA-N 273.310 1.159 0 30 CDAC CCOC(=O)NC(=O)C(C#N)=NNc1c(F)cccc1F 254612081 LKZDIDNNNCCLAJ-UHFFFAOYSA-N 296.233 1.529 0 30 CDAC Nc1ccc(S(=O)(=O)N(C=O)c2nccs2)cc1 141862068 GTCOKYOSYZLCFU-UHFFFAOYSA-N 283.334 1.077 0 30 CDAC COC(=O)[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 147090845 UZUVKNIRHQXQAY-SECBINFHSA-N 274.725 1.502 0 30 CDAC N=c1nc(O)c2c([nH]1)CN(C(=O)OCc1ccccc1)C2 536558963 LMSOJMGCZDKNLK-UHFFFAOYSA-N 286.291 1.247 0 30 CDAC NC(=O)C1CCN(Cn2cnc3ccccc32)CC1 20421507 OMMSAEKYJGKWJI-UHFFFAOYSA-N 258.325 1.191 0 30 CDAC COc1cc(C(=O)O)c(NC(C)=O)c(OC)c1OC 90775 RJARRHSNIGRTNT-UHFFFAOYSA-N 269.253 1.369 0 30 CDAC O=C(CC[C@@H]1CCCO1)N[C@H]1CC[C@H](C(=O)O)CC1 685945615 JVAZVMXJIDFFFC-SRVKXCTJSA-N 269.341 1.705 0 30 CDAC COC(=O)[C@@H](N)Cc1cccc(C(F)(F)F)c1F 95640322 ZAKAQKJFRMDJLG-QMMMGPOBSA-N 265.206 1.887 0 30 CDAC Cn1ncc2c1CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O 146832110 ZDFSHRAKGOOEMY-VIFPVBQESA-N 267.285 1.297 0 30 CDAC Cc1ccccc1S(=O)(=O)Nc1ccnn1C 116650 LUBIDODSBRWSOV-UHFFFAOYSA-N 251.311 1.529 0 30 CDAC COC(=O)c1c(C(=O)OC)c2n(c1C)CCS2 149691 ZPNHXRCUMKUHTP-UHFFFAOYSA-N 255.295 1.475 0 30 CDAC COC(=O)[C@@H](CC1CCOCC1)NC(=O)OC(C)(C)C 2577340 SQDJMXRVEJKDFV-LLVKDONJSA-N 287.356 1.869 0 30 CDAC N=C(N)NCCCCCCCCCCCCNC(=N)N 3807921 ZIZFGSKWOGWBOO-UHFFFAOYSA-N 284.452 1.854 0 30 CDAC COC(=O)[C@H]1CSCCN1C(=O)OC(C)(C)C 95829294 WATXLILDVUDIBE-MRVPVSSYSA-N 261.343 1.512 0 30 CDAC COC(=O)c1cc(I)sn1 722970230 LHVQXVTVVMMXOL-UHFFFAOYSA-N 269.063 1.534 0 30 CDAC O=C1NC(=O)C(=Cc2ccc(-n3cncn3)cc2)S1 2265279770 PIDMTSLWEQCJKK-UHFFFAOYSA-N 272.289 1.591 0 30 CDAC O=C1CC(=O)[C@@H](c2ccccc2Br)N1 106983180 BYPCMCNSCWSYIL-SNVBAGLBSA-N 254.083 1.579 0 30 CDAC CNC(=O)c1ccc(NC2(C(=O)O)CCC2)cc1F 146145312 FGOGELABKVPEAL-UHFFFAOYSA-N 266.272 1.605 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(N)=O 4375847 DPPJAZKWEIWDKI-LBPRGKRZSA-N 294.351 1.582 0 30 CDAC CN1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O 757185450 REEVDKPQMGJTAN-QMTHXVAHSA-N 284.356 1.260 0 30 CDAC CCn1c(C(=O)OC)cc(=O)c2cc(OC)ccc21 132952 YDVVYSRWUCIHGQ-UHFFFAOYSA-N 261.277 1.817 0 30 CDAC COCCCNC(=S)Nc1ccc(NC(C)=O)cc1 3131657 UIXOTPVXMQGMEZ-UHFFFAOYSA-N 281.381 1.968 0 30 CDAC CSC1=N[C@@H]2CCNC[C@@H]2C(=O)N1c1ccccc1 72233071 HVKFBABTZSKOLX-NWDGAFQWSA-N 275.377 1.730 0 30 CDAC Cc1cc2c(=O)c(C(=O)O)cn(CCN(C)C)c2s1 35570356 OCWSAROAMLBWMO-UHFFFAOYSA-N 280.349 1.631 0 30 CDAC O=C1C=C(c2cccc(Br)c2)S(=O)(=O)N1 95616817 RNIXTPVZUSWYQM-UHFFFAOYSA-N 288.122 1.250 0 30 CDAC CC(C)C[C@@H](C(=O)N1CCOCC1)n1cccc1 888105008 UJTQNTHFLOZYRQ-ZDUSSCGKSA-N 250.342 1.934 0 30 CDAC COCCn1ccc(I)n1 86789230 CAHFGNSOQYYHHL-UHFFFAOYSA-N 252.055 1.134 0 30 CDAC CCOC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 260424576 YIKSBMMHYQTONW-SNVBAGLBSA-N 285.340 1.766 0 30 CDAC Cc1ccc2[nH]c(B(O)OC(C)(C)C(C)(C)O)cc2c1 200313411 PXPOOEHRHKDQJA-UHFFFAOYSA-N 275.157 1.730 0 30 CDAC in-vitro COCC1(CN)CCN(C(=O)OC(C)(C)C)CC1 215324453 HBOLSRPBIJXHRR-UHFFFAOYSA-N 258.362 1.609 0 30 CDAC CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)O)C1 22014155 KBOAYZVPFMNCCX-JTQLQIEISA-N 270.329 1.155 0 30 CDAC COc1ccc(CN2CCC[C@H](OC(C)=O)C2=O)cc1 91356067 GYASHAULZKOHPU-AWEZNQCLSA-N 277.320 1.749 0 30 CDAC CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(N)=S 147023475 XZAOXPVPLDOTEY-ZCFIWIBFSA-N 266.313 1.917 0 30 CDAC CN(C)[C@H]1C[C@@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1 211271582 ZZCLZCOAJYRNTN-ZJUUUORDSA-N 272.345 1.258 0 30 CDAC Nc1c(C(=O)O)cc(Cl)nc1Br 114046693 UJLTYWONLBZWGL-UHFFFAOYSA-N 251.467 1.778 0 30 CDAC CCOC(=O)/C=C(\C)N[C@@H](C(=O)O)C1=CCC=CC1 136793106 VJKNZMGRRRECHM-WTNCMQEWSA-N 265.309 1.773 0 30 CDAC COC(=O)Cc1nc(OC)ccc1Br 238400393 HAVPNSXBMMPAPN-UHFFFAOYSA-N 260.087 1.568 0 30 CDAC CC(=O)OCCN(CCOC(C)=O)c1cccc(N)c1 5138041 LQMOHCBAOVGFMO-UHFFFAOYSA-N 280.324 1.201 0 30 CDAC NC(=O)CSc1nnc(-c2ccc3nc[nH]c3c2)o1 5626297 YZDVEHTUTPXFLD-UHFFFAOYSA-N 275.293 1.190 0 30 CDAC Nc1cccc2c(S(=O)(=O)N3CCOCC3)cccc12 173245 GGYZSDOOZZQKIB-UHFFFAOYSA-N 292.360 1.443 0 30 CDAC COC(=O)[C@H](Cc1ccc(Cl)cc1)NC(C)=O 34300359 ZMMRWWNITIYRGX-NSHDSACASA-N 255.701 1.560 0 30 CDAC NS(=O)(=O)c1cc(C(=O)C2CC2)ccc1Cl 82643167 AMHGYLCJWOFQKN-UHFFFAOYSA-N 259.714 1.580 0 30 CDAC O=C(O)CSCC(=O)Nc1ccc2c(c1)C(=O)OC2 148287 HOMIZLJXRSIAPX-UHFFFAOYSA-N 281.289 1.113 0 30 CDAC CN1CCN(c2ncc3c(S)[nH]c(=S)nc3n2)CC1 20432165 OQRJCOUKHYDSTF-UHFFFAOYSA-N 294.409 1.123 0 30 CDAC CC(C)(C)OC(=O)[C@@H]1NCC12CN(Cc1ccccc1)C2 81991229 VFWSLZMIAPYHQJ-AWEZNQCLSA-N 288.391 1.802 0 30 CDAC COc1cc(Nc2ncnc(N)n2)cc(OC)c1OC 89355 XUXJDRHHZUDWRS-UHFFFAOYSA-N 277.284 1.223 0 30 CDAC C[C@H]1CN(c2nnc(Br)s2)C[C@H](C)O1 77898425 YVYAMLQGTQKWOA-WDSKDSINSA-N 278.175 1.914 0 30 CDAC CO[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1 206612229 GPNUVPVTXHBPJI-MVCUBJFGSA-N 274.313 1.029 0 30 CDAC COC(=O)C=CC(=CN(C)C)S(=O)(=O)c1ccccc1 2265270058 HECVEXYWIBUKDB-UHFFFAOYSA-N 295.360 1.593 0 30 CDAC CC[C@H](CN)NC1CCN(Cc2ccccc2)CC1 44712503 QUFUCZKLZXBWAU-OAHLLOKOSA-N 261.413 1.978 0 30 CDAC O=C(O)C[S@](=O)Cc1ccc(Br)cc1 37921675 MSCOFNSNHPDVDO-AWEZNQCLSA-N 277.139 1.782 0 30 CDAC O=[N+]([O-])Nc1ncc(Cc2ccc3c(c2)OCO3)c(O)n1 34072243 CYDVFWXIUURXJS-UHFFFAOYSA-N 290.235 1.105 0 30 CDAC O=c1[nH]c(C2CCOCC2)ncc1Br 85449629 QLTLWSCZAGVGCD-UHFFFAOYSA-N 259.103 1.426 0 30 CDAC COC(=O)c1sccc1NC(=O)c1ccno1 123006 LUEKCUYHABLIFU-UHFFFAOYSA-N 252.251 1.775 0 30 CDAC C[C@@H](O)CC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2018121 KWKUDHRFXHHXFJ-MWLCHTKSSA-N 282.340 1.175 0 30 CDAC Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CCCCNC1=O 4389332 WTVHILXHAAHYBE-JTQLQIEISA-N 292.383 1.116 0 30 CDAC Cc1cc(Cl)ccc1NC(=O)COCC(=O)O 100813 AXVHXPUASJJNFM-UHFFFAOYSA-N 257.673 1.688 0 30 CDAC O=C1Nc2ccc(F)cc2[C@]1(O)Cc1ccccn1 81476 KOOCHMIMZRQVCO-CQSZACIVSA-N 258.252 1.603 0 30 CDAC O=C(O)c1cc2c(F)cc(Br)cn2n1 952958991 BUTYZIYTRBVXJU-UHFFFAOYSA-N 259.034 1.934 0 30 CDAC Cc1cc(O)cc(C)c1B(O)OC(C)(C)C(C)(C)O 2265362088 FMRSUQITHXDNPU-UHFFFAOYSA-N 266.146 1.263 0 30 CDAC CC(C)(C)OC(=O)N1CCN(c2cnccc2N)CC1 62152998 RVCAZUBHOCWAGY-UHFFFAOYSA-N 278.356 1.721 0 30 CDAC CC(C)C[C@H](CNC(=O)[C@H]1CCCCN1)CC(=O)O 34003246 YIBJJADESILGNG-NWDGAFQWSA-N 270.373 1.382 0 30 CDAC O=C(O)c1cc(I)c2cn[nH]c2c1 238730487 KMDFTMZKMGDHDL-UHFFFAOYSA-N 288.044 1.866 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(CN)n2)C1 675050187 JDQUEUKCSBQZMC-GFCCVEGCSA-N 292.383 1.644 0 30 CDAC COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC(C)(C)C 114893 HQHROBHQSMRVHH-UHFFFAOYSA-N 289.353 1.760 0 30 CDAC Cc1cc(NC(=O)CCCCCN2CCOCC2)no1 19924772 RUAMFFJEZMGVPS-UHFFFAOYSA-N 281.356 1.814 0 30 CDAC COc1cc2nc(NC(C)=O)sc(=O)c2cc1OC 119735 WLNHTJKUJHRFEO-UHFFFAOYSA-N 280.305 1.632 0 30 CDAC COC(=O)C1=CCCN(C(=O)Oc2ccccc2)C1 1433269 DIKOBIKFNCNALZ-UHFFFAOYSA-N 261.277 1.991 0 30 CDAC CCOc1c(Nc2ccccc2C(=O)O)c(=O)c1=O 4347914 WUPXOFSQTYVIMG-UHFFFAOYSA-N 261.233 1.123 0 30 CDAC CCOC(=O)CN(CC(C)=O)C(=O)OC(C)(C)C 96032512 KQUYKKUPIYCRAM-UHFFFAOYSA-N 259.302 1.376 0 30 CDAC CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1F 255982956 KGDKZXWLTPVXED-KLVXDSBYSA-N 284.283 1.171 0 30 CDAC CN(C)c1nc(N)c(C(=O)Nc2ccccn2)nc1Cl 28123047 QUODWOZQRXAWHV-UHFFFAOYSA-N 292.730 1.426 0 30 CDAC in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)O 44298081 WENRBRIVFCOOMR-QMMMGPOBSA-N 272.326 1.664 0 30 CDAC O=c1[nH]ccc2c(I)c[nH]c12 44713162 PRKCNCBWIXJPTB-UHFFFAOYSA-N 260.034 1.461 0 30 CDAC CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 231938881 ABNVHVKLRCQXOW-OLPJOPMJSA-N 289.331 1.149 0 30 CDAC Cc1ccc(CNS(=O)(=O)c2cccs2)n1C 157988 OWHVJXAKUARENN-UHFFFAOYSA-N 270.379 1.874 0 30 CDAC CCOC(=O)[C@@]1(C)Oc2cc(Cl)ccc2NC1=O 26340451 PCIDRIIRYWWGPG-LBPRGKRZSA-N 269.684 1.993 0 30 CDAC CC(C)(C)OC(=O)N1CC(=O)CC2(CCOCC2)C1 584883714 NMNIPNFHOGXQBQ-UHFFFAOYSA-N 269.341 1.993 0 30 CDAC CN(C(=O)OCc1ccccc1)[C@@H]1CNCCOC1 607716488 NJJSPOHLWFHPJB-CYBMUJFWSA-N 264.325 1.243 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1 6882743 NONUVMOXNPGTBK-QWRGUYRKSA-N 281.308 1.698 0 30 CDAC CCc1ccc(Cn2nnc(C(=O)OC)c2C)cc1 96300652 YXVJLUDBRPIKSK-UHFFFAOYSA-N 259.309 1.984 0 30 CDAC O=C1NCCCCC[C@H]1I 39270739 YFPAAMKUZJCMGF-ZCFIWIBFSA-N 253.083 1.480 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CCN(CCO)CC2)C1 95084618 TYNZNSGYSURGHJ-UHFFFAOYSA-N 284.400 1.702 0 30 CDAC O=C(O)CCCn1cnc([C@H](O)c2cc(F)ccc2F)n1 2265362109 LEQDDOOXRKMYRQ-GFCCVEGCSA-N 297.261 1.503 0 30 CDAC Cn1ncnc1[C@@]12CCN(C(=O)OC(C)(C)C)C[C@H]1O2 669371583 ILBGWKNNJIGQHY-NOZJJQNGSA-N 280.328 1.050 0 30 CDAC Cc1nn(-c2ccccc2)nc1CNC(=O)C1CCC1 131693 SLOXHTDAEZFEDI-UHFFFAOYSA-N 270.336 1.992 0 30 CDAC CCCCCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)O 38604526 DAZZOIFMRJXUJM-DTWKUNHWSA-N 260.286 1.515 0 30 CDAC CCOc1ccccc1/N=N/[C@H]1C(=O)N(C(=N)N)N=C1C 111898102 KZJFXBXLDQMANL-QZAQEVDKSA-N 288.311 1.649 0 30 CDAC O[C@H]1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@H]2[C@H](O)[C@H]4[C@H]3[C@@]12c1ccccc1 247743984 PJUGOTSDSWMOTQ-ODURCMPLSA-N 254.329 1.418 0 30 CDAC C[C@@H](N)c1ccc(Br)cc1OCCO 132039328 NVWXKUUAGIRMSO-SSDOTTSWSA-N 260.131 1.840 0 30 CDAC CC(C)(C)C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O 145568154 UQKKZEVZUFBQFN-CYBMUJFWSA-N 274.364 1.950 0 30 CDAC NC(=O)c1c(I)cccc1C(=O)O 33606096 PVJJTWJZVYDIIC-UHFFFAOYSA-N 291.044 1.088 0 30 CDAC O=C(NC(=O)c1ccccc1O)c1ccc2c(c1)CCO2 157586 UJHGHNWTOKTBFN-UHFFFAOYSA-N 283.283 1.897 0 30 CDAC CCOC(=O)[C@@H]1CCC(=O)[C@H](C(=O)C(F)(F)F)C1 100443531 GRCQBCQNPYZWLS-RNFRBKRXSA-N 266.215 1.666 0 30 CDAC CN(C)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 35242482 HBCLYVIARHJTTL-VIFPVBQESA-N 260.334 1.306 0 30 CDAC C[C@@H](C(=O)O)c1ccc(S(=O)(=O)N(C)C)cc1 44493922 GHLICBYZLCIWML-MRVPVSSYSA-N 257.311 1.125 0 30 CDAC in-vitro O=S(=O)(NC[C@@H](O)c1ccccc1)c1ccccc1 152728 LMJZCTODAKKBBT-CQSZACIVSA-N 277.345 1.699 0 30 CDAC COC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 213300033 MXWLWZASHTYBCQ-VIFPVBQESA-N 259.302 1.185 0 30 CDAC CC[S@](=O)CC[C@@H](Nc1ccccc1)C(=O)O 2265351806 UETZTCYIGYZMKO-DIFFPNOSSA-N 255.339 1.710 0 30 CDAC NCCc1nc2cc3c(cc2n1CC(F)F)OCCO3 2265385665 ZPUPAIYSBWHMOG-UHFFFAOYSA-N 283.278 1.574 0 30 CDAC CCN(CC)CCNC(=O)c1ccc(N)c(Cl)c1 1546399 YEYAKZXEBSVURO-UHFFFAOYSA-N 269.776 1.994 0 30 CDAC investigational NC(=O)C1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100239464 MIHPGGMXKKSXKE-ZMLRMANQSA-N 279.409 1.023 0 30 CDAC CCOC(=O)C[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 212433934 BTSXUUIYWQKWPG-RKDXNWHRSA-N 261.318 1.214 0 30 CDAC C[C@H](CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)C(=O)O 254201520 UBBSLIBPXCFHDN-RYPBNFRJSA-N 258.343 1.043 0 30 CDAC in-vitro CC(C)C(=O)ON=C1CCS(=O)(=O)c2sccc21 263631087 YBQBVMPIIUKUME-UHFFFAOYSA-N 287.362 1.829 0 30 CDAC O=C(c1cc(Cl)nc(Cl)n1)N1CCOCC1 701739777 GGLYXTOGBORYMO-UHFFFAOYSA-N 262.096 1.256 0 30 CDAC NS(=O)(=O)Cc1cc(Br)ccc1Cl 88613671 XTPHYFNNVWAMHB-UHFFFAOYSA-N 284.562 1.891 0 30 CDAC COC(=O)[C@@H]1C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 381979636 MLQGVKOJXVIEKS-KKZNHRDASA-N 283.324 1.232 0 30 CDAC NCCCNCCCNC(=O)OCc1ccccc1 306342030 YRJPETSTNJQVLI-UHFFFAOYSA-N 265.357 1.241 0 30 CDAC N#Cc1cc(N)ccc1N1CCC(N2CCOCC2)CC1 141277474 HBFHFICPDPGDLM-UHFFFAOYSA-N 286.379 1.441 0 30 CDAC O=C(O)[C@@H]1CCCN(C(=O)c2ccnc3cc[nH]c23)CC1 2265364171 MVJRVQWHVNLOHE-SNVBAGLBSA-N 287.319 1.890 0 30 CDAC CCOC(=O)C(=O)c1ccc(S(=O)(=O)C2CC2)cc1 16697926 SIDMNZQKIXFCKM-UHFFFAOYSA-N 282.317 1.369 0 30 CDAC CC(C)(C)OC(=O)NCC(=O)c1ccccc1N 34507909 MBDORYDRQITIGV-UHFFFAOYSA-N 250.298 1.976 0 30 CDAC COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1N 5141148 KYHZPHXKSQRMDX-UHFFFAOYSA-N 285.303 1.629 0 30 CDAC NS(=O)(=O)c1ccc(Nc2nccnc2Cl)cc1 141758701 KCRZOLJSPFUJGX-UHFFFAOYSA-N 284.728 1.521 0 30 CDAC CC(C)(C)OC(=O)N1CC(=O)N2CCCC[C@H]2C1 38241171 JVPPVIFVHQPTFE-JTQLQIEISA-N 254.330 1.618 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 223227596 DRZYQQYXAHBTKU-SNVBAGLBSA-N 277.386 1.678 0 30 CDAC COc1ccc(Cl)cc1N1C(=O)COCC1=O 102376 IHGUUIBPUKFTHC-UHFFFAOYSA-N 255.657 1.238 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1ccoc1)C(=O)O 2579386 JMIUWWIKSKJLKF-SECBINFHSA-N 255.270 1.800 0 30 CDAC O=C(c1ccccc1)n1nnc2ccccc2c1=O 96328871 BJGSGTFPMBZNBE-UHFFFAOYSA-N 251.245 1.480 0 30 CDAC O=C(NC1CC1)OC[C@@H](O)[C@H]1COc2ccccc2O1 3634993 VCFPGQUWJMMYKA-ZWNOBZJWSA-N 279.292 1.076 0 30 CDAC CN[C@H](C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 142367480 KZAUWRAPVYYKCI-NSHDSACASA-N 286.372 1.395 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](CCC1OCCO1)C(=O)O 584883318 PLVSNGIMTVWWNF-QMMMGPOBSA-N 275.301 1.117 0 30 CDAC CC(C)(O)c1cnn2c(Br)cnc2n1 21994027 LULRIZCPZCLJCT-UHFFFAOYSA-N 257.091 1.114 0 30 CDAC Cc1ccc(S(=O)(=O)N=c2sccn2C)cc1 263629887 SXSGWOVHTRVNBN-UHFFFAOYSA-N 268.363 1.685 0 30 CDAC CCC(=O)c1ccc(OC[C@@H](O)CO)c(OC)c1 5818767 SUTGJZFFEVGULT-JTQLQIEISA-N 254.282 1.020 0 30 CDAC in-vitro CN1CC[C@@H](N)[C@]12CCCN(C(=O)OC(C)(C)C)C2 685954985 RHGSYUXKQKOARI-BXUZGUMPSA-N 269.389 1.419 0 30 CDAC NNc1c(F)cc(F)cc1I 958719684 ZPZQLBPONHTTCH-UHFFFAOYSA-N 270.020 1.855 0 30 CDAC CC(=O)c1cc(N)ccc1OC[C@@H](O)CNC(C)(C)C 5138096 NDSFAFIRRXLJNE-LBPRGKRZSA-N 280.368 1.599 0 30 CDAC in-vitro COC(=O)c1cn2c(Br)cnc2cn1 221930435 VBKADPMMRZGONK-UHFFFAOYSA-N 256.059 1.278 0 30 CDAC Nc1ccc(N2CCS(=O)(=O)CC2)c(C(F)(F)F)c1 37754624 DLYGZXIGRXCWMH-UHFFFAOYSA-N 294.298 1.522 0 30 CDAC Cc1ccc(B(O)OC(C)(C)C(C)(C)O)c(Cl)n1 2265356023 KYXYKCSWRHBXKC-UHFFFAOYSA-N 271.553 1.297 0 30 CDAC CC[C@@H](C)[C@@H](N)C(=O)NC[C@H](CC(=O)O)CC(C)C 88273027 RKXTZRUEBBDKMD-NTZNESFSSA-N 272.389 1.613 0 30 CDAC CCOC(=O)c1ccc(CN2CCOCC2)cn1 98210230 XMZYIBSTANPTFA-UHFFFAOYSA-N 250.298 1.091 0 30 CDAC Cn1cc(S(N)(=O)=O)c2cc(Br)ccc21 2265384984 NNWNCBMLWCSJPQ-UHFFFAOYSA-N 289.154 1.588 0 30 CDAC COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]2C[C@H]21 309629996 TXYDJOJXXSJPLC-RGOKHQFPSA-N 255.314 1.709 0 30 CDAC NS(=O)(=O)c1ccccc1-c1ccc(C(=O)O)o1 90686505 KRNQVKVOLIMYIE-UHFFFAOYSA-N 267.262 1.292 0 30 CDAC COC(=O)Nc1ccc(N2CCOCC2)c(F)c1 139269026 IKISJVHYIWZBRX-UHFFFAOYSA-N 254.261 1.841 0 30 CDAC COC(=O)[C@H]1Cc2c(Br)cccc2O1 260504417 WDOCUOCBQZCPAZ-SECBINFHSA-N 257.083 1.926 0 30 CDAC Cc1cc(Br)cn2cc(C(N)=O)nc12 95829570 JXCIMKACGIXPMH-UHFFFAOYSA-N 254.087 1.504 0 30 CDAC COC[C@@H]1N(Cc2ccccc2)C[C@@H]2C[C@@]21C(=O)OC 1565504656 JAPOMIQWISQCSR-OFQRWUPVSA-N 275.348 1.697 0 30 CDAC O=C(O)CC1=Nn2c(nnc2-c2cccs2)SC1 81551 LXLJTGTWSCRGBV-UHFFFAOYSA-N 280.334 1.791 0 30 CDAC CCOC(=O)[C@H]1CNc2c(Br)cnn2C1 228757283 KFTZNJCZQARODP-LURJTMIESA-N 274.118 1.250 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2F)[C@H]1C(=O)O 91303809 PMCISSGWBZOERM-JBDRJPRFSA-N 259.277 1.807 0 30 CDAC COc1cc2c(CCNC(C)=O)c[nH]c2cc1F 2032560 BTTITVUHHXXLFM-UHFFFAOYSA-N 250.273 1.994 0 30 CDAC in-vivo CO[C@@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]2[C@@]12COC(C)(C)O2 2265351536 DWVZUXOQXNSGDB-FBKDDSFISA-N 286.324 1.016 0 30 CDAC CCOC(=O)c1ccc(N[C@H](C)C(=O)N(C)C)cc1 2009293 CECRUNWWFWYXGC-SNVBAGLBSA-N 264.325 1.752 0 30 CDAC O=C1O[C@@H]2C[C@H]1CC[C@H]2I 34069337 ALVFLEWPYOOJPZ-HSUXUTPPSA-N 252.051 1.516 0 30 CDAC CON(C)C(=O)c1n[nH]c2ncc(Br)cc12 67172007 HTIXILQSGGSCRA-UHFFFAOYSA-N 285.101 1.354 0 30 CDAC COC[C@]1(C)C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C 225253296 LRBXOOFTCQPISS-RNCFNFMXSA-N 273.329 1.733 0 30 CDAC CN([C@H]1CCN2CCc3ccccc3[C@H]2C1)S(C)(=O)=O 4336263 KJTKDAHVWBKJDZ-DZGCQCFKSA-N 294.420 1.640 0 30 CDAC COC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 108165753 MRIVECWIQDKYRS-SECBINFHSA-N 258.318 1.742 0 30 CDAC CCOC(=O)CC(=O)c1ccc(Br)cn1 39957223 HECLHZAXCKFFTD-UHFFFAOYSA-N 272.098 1.980 0 30 CDAC CCCNC(=O)Nc1cc(S(=O)(=O)CC)ccc1O 4324937 WWJXFHSILZNJKC-UHFFFAOYSA-N 286.353 1.717 0 30 CDAC COC(=O)[C@@]12CC[C@@H]([C@@H](O)C1)N2C(=O)OC(C)(C)C 138170068 DLGRTZJENYOJQN-MWODSPESSA-N 271.313 1.062 0 30 CDAC O=C(NCCc1ccccn1)c1ccc2nccnc2c1 156498 AKNJOXIRFRVNGW-UHFFFAOYSA-N 278.315 1.997 0 30 CDAC CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H](O)C1 22013857 CVBLNNNHPBYDIV-NOZJJQNGSA-N 273.329 1.358 0 30 CDAC C[C@@]1(C(=O)O)C[C@@H](O)CN1C(=O)OCc1ccccc1 118153754 FHOUWOVYDRADDP-RISCZKNCSA-N 279.292 1.233 0 30 CDAC CS(=O)(=O)Nc1c(Cl)cc(N)cc1Cl 106790654 KWRHELJYMHGKNS-UHFFFAOYSA-N 255.126 1.947 0 30 CDAC c1cncc(C2=N[C@H](CN3CCCCC3)CON2)c1 13916716 QWVRTSZDKPRPDF-CYBMUJFWSA-N 260.341 1.218 0 30 CDAC investigational O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccsc1 21966186 ZYWLDBCHJIPMMQ-LBPRGKRZSA-N 291.328 1.879 0 30 CDAC CC(C)(C)OC(=O)N1CC(n2ccc(C(=O)O)n2)C1 382672573 BBBUJPWAKBRFTP-UHFFFAOYSA-N 267.285 1.373 0 30 CDAC CCOP(=O)(OCC)[C@H](OC(C)=O)C(=O)O 200665860 QAFXGVGAIBHDPN-QMMMGPOBSA-N 254.175 1.226 0 30 CDAC CCOC(=O)[C@@H](NC(C)=O)P(=O)(OCC)OCC 136204799 NGYQCNJIUGBWQX-VIFPVBQESA-N 281.245 1.278 0 30 CDAC COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1CC1 119373 DKRPZHSTBACACX-UHFFFAOYSA-N 287.337 1.371 0 30 CDAC Cc1coc2c1C(=O)[C@H]1[C@](C)(O)CC[C@@H](O)[C@]1(C)C2 15058362 QXEXMTIZXNCRJO-QPKOPYBWSA-N 264.321 1.855 0 30 CDAC biogenic,in-vitro C=Cc1c(S(C)(=O)=O)sc(C(=O)NC)c1C 125865 ZBCORNNFLQSBSS-UHFFFAOYSA-N 259.352 1.463 0 30 CDAC O=C1Nc2c(F)cc(Br)c(F)c2C1=O 145585690 IBVAAOPFFKNTTG-UHFFFAOYSA-N 262.009 1.862 0 30 CDAC OC1(c2cc(F)c(Br)cc2F)COC1 606301307 BQZJDDAOMSQXDX-UHFFFAOYSA-N 265.053 1.945 0 30 CDAC Cc1ccccc1-n1cc(Br)c(=O)[nH]c1=O 171250 FKFHSSCZFNQGEK-UHFFFAOYSA-N 281.109 1.597 0 30 CDAC Cc1c(C(N)=O)nnc2cc(-c3ccccc3)nn12 165332 YXXJFDANCSZKLZ-UHFFFAOYSA-N 253.265 1.199 0 30 CDAC O=C(NCC1CCOCC1)c1cccc2c1OCCO2 12366672 WUAVSLVUWMGFOW-UHFFFAOYSA-N 277.320 1.614 0 30 CDAC CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N 144405764 HUJJKWSEEUDHJK-KGLIPLIRSA-N 262.353 1.399 0 30 CDAC CON(C)C(=O)C1CN(C(=O)OCc2ccccc2)C1 201908391 IEUZTBOFTYLZGK-UHFFFAOYSA-N 278.308 1.275 0 30 CDAC NC(=O)Cc1ccccc1I 116300736 RUSFKDNBKNSCQG-UHFFFAOYSA-N 261.062 1.319 0 30 CDAC Cc1cc(C)n(-c2ccc(N3C[C@H](C)O[C@@H](C)C3)nn2)n1 91418 OFLJFYONMCSNGT-STQMWFEESA-N 287.367 1.893 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)CC(=O)N2 953115682 VISNDEFTKMWYOC-JTQLQIEISA-N 284.356 1.027 0 30 CDAC COc1ccc2[nH]cc([C@H]3CC(=O)N(C)C3=O)c2c1 144967252 MOJKNRCVEODSSX-SNVBAGLBSA-N 258.277 1.649 0 30 CDAC CC(C)(C)OC(=O)N1CCO[C@@H]2C(CN)=CC[C@@H]21 514269620 NTYIHSHJYHJGGG-WDEREUQCSA-N 254.330 1.280 0 30 CDAC CC[C@@H]1CNC[C@@H]1c1cnc2cnc3[nH]ccc3n12 584632483 JQCFYUAAZPLOAT-ZJUUUORDSA-N 255.325 1.924 0 30 CDAC O=C1NC(=O)[C@H](c2cc(Cl)sc2Cl)N1 307362741 JEVJPTXDSJRFAP-BYPYZUCNSA-N 251.094 1.935 0 30 CDAC O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cccs1 71793131 QFQGWRWEAGNSDM-SPFNVWMYSA-N 277.345 1.887 0 30 CDAC O=Cc1n[nH]c2cc(I)ccc12 14983504 IXELIHXOKMAQCO-UHFFFAOYSA-N 272.045 1.980 0 30 CDAC CCOc1cccc([C@H](N)CS(C)(=O)=O)c1OC 2048484295 DDSBNKRFJWUHHA-SNVBAGLBSA-N 273.354 1.138 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1F)C(=O)O 44300620 YJISLFBEXAEQQI-VIFPVBQESA-N 284.287 1.741 0 30 CDAC CC(=O)NS(=O)(=O)c1ccccc1Br 40443655 HIJFTUAKQQAKNV-UHFFFAOYSA-N 278.127 1.274 0 30 CDAC NC(=O)[C@@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C1 69593785 FZXHGNNYWOIDPP-SECBINFHSA-N 299.733 1.496 0 30 CDAC COC(=O)c1cc2cccc(Br)n2n1 211260290 NVHDWLGSDOBWRU-UHFFFAOYSA-N 255.071 1.883 0 30 CDAC CCN(CC)c1cc(S(N)(=O)=O)ccc1OC 33607501 FTOJLXGWFMLZCO-UHFFFAOYSA-N 258.343 1.189 0 30 CDAC Cc1ccc(S(=O)(=O)O)c(C2(CO)CCOCC2)c1 504379429 HBOOGLYSVPYFNO-UHFFFAOYSA-N 286.349 1.282 0 30 CDAC CC(=O)NCc1ccc(OC[C@H](O)CNC(C)C)cc1 2009812 IGUMCQGTANJTCY-CQSZACIVSA-N 280.368 1.060 0 30 CDAC CCCc1nc(C[C@@H]2CCOC2)ncc1C(=O)O 130595402 ZCHCMOZVCWWXFA-VIFPVBQESA-N 250.298 1.706 0 30 CDAC O=C(O)C(F)(F)[C@@]12O[C@@H]3[C@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]1[C@H]36)[C@H]5[C@H]42 100527265 HTTSLVFOIBKDFR-QEYJQWEESA-N 254.232 1.232 0 30 CDAC COc1ccccc1NC(=O)C(=O)Nc1ncccc1O 38227850 QWNMGODZWGPLOL-UHFFFAOYSA-N 287.275 1.373 0 30 CDAC CN(C)C=C(C(=S)N1CCOCC1)c1ccccn1 2265279435 ATCFBTHQAGCXDJ-UHFFFAOYSA-N 277.393 1.644 0 30 CDAC C[C@@H]1CNCC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 503822129 WEHHGDMMOQMIKQ-UXIGCNINSA-N 275.352 1.567 0 30 CDAC N=C1NC(=O)[C@H](CC(=O)Nc2ccc(F)c(F)c2)S1 4377022 GACQBNFIHDWVGY-QMMMGPOBSA-N 285.275 1.460 0 30 CDAC CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O 95347664 HTINMSUVZLMQEV-GHMZBOCLSA-N 269.341 1.992 0 30 CDAC in-vitro CC(=O)N[C@@H](C(=O)O)c1ccccc1OC(F)(F)F 111060449 QHUGWCVYDRDNGF-SECBINFHSA-N 277.198 1.847 0 30 CDAC C[C@H](N[C@@H]1COC(C)(C)OC[C@H]1O)c1ccccc1 115592004 OVGVBCFTOXTZDO-IACUBPJLSA-N 265.353 1.850 0 30 CDAC NCc1ccc(Br)cc1N1CCOCC1 36670651 JVRVLYRUSGTMPN-UHFFFAOYSA-N 271.158 1.744 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccc(C2COC2)c1 2265362261 YPIQZRMGFOGXSA-UHFFFAOYSA-N 278.157 1.054 0 30 CDAC Clc1ccc([C@H]2NN=C(c3cnccn3)N2)cc1 127459 RDOSYEGDOXESAW-LLVKDONJSA-N 259.700 1.683 0 30 CDAC O=C(O)[C@@H]1Cc2cc(I)ccc2O1 89065039 QCXJHQPDRKWMEZ-QMMMGPOBSA-N 290.056 1.679 0 30 CDAC NS(=O)(=O)c1c(F)ccc(C(F)(F)F)c1F 604970939 ZUUZAYVNYMRTJO-UHFFFAOYSA-N 261.171 1.631 0 30 CDAC COc1ccc(N2CC[C@H](N3CCCC3)C2=O)cc1 6018309 TWAYYLLFOQXVJV-AWEZNQCLSA-N 260.337 1.896 0 30 CDAC CC(C)(C)OC(=O)N1CC(NCC2CCOCC2)C1 104194803 KBRUTJKMROGKOZ-UHFFFAOYSA-N 270.373 1.622 0 30 CDAC Nc1ncc(F)c(I)c1F 118645794 XSDZAJUTINHKCO-UHFFFAOYSA-N 255.993 1.547 0 30 CDAC O=C(O)c1cc(S(=O)(=O)Cl)cc(Cl)c1O 141330000 YATPLRXFGACPQP-UHFFFAOYSA-N 271.077 1.671 0 30 CDAC Cc1nn(C)c2c1N(c1ccccc1)C(=O)CC(=O)N2C 2262 BFWACMHTIVUWJS-UHFFFAOYSA-N 284.319 1.760 0 30 CDAC in-man CSc1ncccc1C1=N/C(=C\N(C)C)C(=O)O1 132015 BFFJBKGBTQTQGZ-CLFYSBASSA-N 263.322 1.510 0 30 CDAC Ic1cnn(-c2cccnc2)c1 68590459 ANYOVYLHZBIHSH-UHFFFAOYSA-N 271.061 1.872 0 30 CDAC O=C(O)c1ccnc(-n2ccc(C(F)(F)F)n2)c1 43298370 FSJGYXVJDNMKFI-UHFFFAOYSA-N 257.171 1.984 0 30 CDAC Cc1n[nH]c(=O)c(N)c1-c1cc(-c2ccsc2)[nH]n1 100248909 XZTJUOGMRBYKAV-UHFFFAOYSA-N 273.321 1.779 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1c(F)cccc1F 200314816 YEUZXVGVWSYTKL-UHFFFAOYSA-N 258.073 1.218 0 30 CDAC N=c1nc2c(C(F)(F)F)cc(Br)cn2[nH]1 616568838 FQTOMWUMWKUGRP-UHFFFAOYSA-N 281.035 1.923 0 30 CDAC NCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 54186761 KEIBFAJNDBJABS-UHFFFAOYSA-N 273.302 1.786 0 30 CDAC OCCN(CCO)c1cccc(Br)c1 34064670 XINJBHMYJJBTBJ-UHFFFAOYSA-N 260.131 1.240 0 30 CDAC O=C(O)CSCC(=O)Nc1ccc2c(c1)OCCCO2 117860 WKZAZAZVHCALBA-UHFFFAOYSA-N 297.332 1.604 0 30 CDAC CN(CC(=O)O)S(=O)(=O)C=Cc1ccccc1 6917261 LIDGHXOLAIVENL-UHFFFAOYSA-N 255.295 1.004 0 30 CDAC CN(C)[C@H]1C=C(Br)[C@H]2OC(C)(C)O[C@H]2[C@@H]1O 2265351636 FRMGDGIDFYAHQT-JLIMGVALSA-N 292.173 1.090 0 30 CDAC C[C@@](O)(Cn1cc2c(n1)-c1ccccc1CC2)C(=O)O 953107792 BLRRNPRDQWHHSS-OAHLLOKOSA-N 272.304 1.484 0 30 CDAC COC(=O)[C@](O)(NC(=O)c1ccc(C)cc1)C(F)(F)F 3663239 VJYCNVIORVXITP-LLVKDONJSA-N 291.225 1.149 0 30 CDAC CCOCC(=O)Nc1ncc(Br)s1 37387257 KFERRDYJHLLZCX-UHFFFAOYSA-N 265.132 1.881 0 30 CDAC Cn1cc([C@@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)cn1 584880002 QIBIDNFFBJETLH-QWRGUYRKSA-N 265.357 1.455 0 30 CDAC COC(=O)Cc1csc(NN2CCCCC2)n1 215145455 ZDRWFYUVIQBTNS-UHFFFAOYSA-N 255.343 1.671 0 30 CDAC O=C(NCc1cc(F)cc2c1OCOC2)C1CC1 146966 SJBUTDAHOJHELP-UHFFFAOYSA-N 251.257 1.718 0 30 CDAC O=C(O)[C@H]1[C@H](C(=O)O)CC12COC(c1ccccc1)OC2 136568 QNLIMAVCEHFZOL-ASNHAOSHSA-N 292.287 1.524 0 30 CDAC CCOC(=O)c1nn2cccc(F)c2c1C(=O)OCC 953019480 CUKHDHQCGPPBSK-UHFFFAOYSA-N 280.255 1.827 0 30 CDAC CC(=O)N[C@H](C(=O)O)c1ccccc1OC(F)(F)F 111060445 QHUGWCVYDRDNGF-VIFPVBQESA-N 277.198 1.847 0 30 CDAC C[C@@H]1CC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)O)O1 129355858 IWONQOADLJEBMT-VGMNWLOBSA-N 259.302 1.532 0 30 CDAC COc1cc2c(cc1OC)CN1CC[C@H](N)C[C@@H]1C2 2576310 MNWGSSRBSMFBHW-STQMWFEESA-N 262.353 1.552 0 30 CDAC CC[C@@H](C)[C@H](N)C(=O)NC[C@H](CC(=O)O)CC(C)C 88273026 RKXTZRUEBBDKMD-MDZLAQPJSA-N 272.389 1.613 0 30 CDAC Nc1n[nH]c2c(I)ccnc12 140542574 POPFMZVJHCRFLD-UHFFFAOYSA-N 260.038 1.145 0 30 CDAC CC(C)(CO)NC1CCN(C(=O)OC(C)(C)C)CC1 575409829 IEEIKKQVECGIOE-UHFFFAOYSA-N 272.389 1.746 0 30 CDAC O[C@H]1[C@H](n2ccnn2)CCC[C@]12CCCCOC2 226077397 PMPZNRJBAUAVHK-AGIUHOORSA-N 251.330 1.551 0 30 CDAC Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)no1 146216 SIPCPOUGJQWWDC-UHFFFAOYSA-N 280.305 1.719 0 30 CDAC Cc1ccc(S(=O)(=O)c2ncn(C)c2S)cc1 100044337 AUJPUQNFDWBFBD-UHFFFAOYSA-N 268.363 1.850 0 30 CDAC CCOC(=O)c1ncc2n1CCN(C(=O)OC(C)(C)C)C2 89195525 IQICWCMLCCBUEE-UHFFFAOYSA-N 295.339 1.811 0 30 CDAC in-vitro OCCNC[C@H](O)c1ccc(Br)cc1 71689861 BYMWMDIOMQFUPJ-JTQLQIEISA-N 260.131 1.064 0 30 CDAC Cc1cnc2c(S(=O)(=O)N[C@H](C)C(=O)O)cccc2c1 36968760 FQPKPBXIAWSBCC-SECBINFHSA-N 294.332 1.295 0 30 CDAC CCOC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC 96327133 ZIZXKQNCOWTDRH-QMMMGPOBSA-N 275.301 1.006 0 30 CDAC COC(=O)c1cc(OC)n(-c2ccccc2F)n1 118634292 ZPZQQSQPXKWOII-UHFFFAOYSA-N 250.229 1.807 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc2ccoc2c1F 2265362255 VOAVQWPMGCRIFS-UHFFFAOYSA-N 280.104 1.826 0 30 CDAC Cc1ccc2c(c1)C(=O)O[C@@]1(O)c3ccccc3C(=O)N21 103758 MRLVOQUWWMODTE-INIZCTEOSA-N 281.267 1.928 0 30 CDAC C[C@@H]1CNCCN1Cc1cc(=O)oc2cc(O)ccc12 54373241 NRYFWNOUZYJWOW-SNVBAGLBSA-N 274.320 1.292 0 30 CDAC CCOC(=O)Cc1csc(NCCN(C)C)n1 105849274 VUHKIEIIWSLFNU-UHFFFAOYSA-N 257.359 1.222 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@H](CN)[C@H]2C1 299806242 HLBMPIBPEUZPJQ-OUAUKWLOSA-N 256.346 1.217 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CO[C@@H](CC(=O)O)C2)C1 723846531 UAHRSRFBWCNQER-VIFPVBQESA-N 271.313 1.487 0 30 CDAC CCOC(=O)[C@@]12C[C@H]1CCN2C(=O)OC(C)(C)C 953018970 VQHDFROXQHCGAZ-NOZJJQNGSA-N 255.314 1.949 0 30 CDAC C[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)O 6679984 NKYUDVGTQNQVHW-VIFPVBQESA-N 255.295 1.050 0 30 CDAC CN1C(=O)/C(=C\C=C2\SCCN2C)N(C)C1=S 33292795 FVFBOOXTOBVBGN-KBXRYBNXSA-N 269.395 1.079 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)O 44298086 WENRBRIVFCOOMR-MRVPVSSYSA-N 272.326 1.664 0 30 CDAC CCOC(=O)[C@H](OC(=O)c1ccccc1)C(C)=O 100487215 QXJXFGNDWSSQAA-LLVKDONJSA-N 250.250 1.364 0 30 CDAC CC(=O)Nc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1 155956 SQQPLYQVPQLMOQ-UHFFFAOYSA-N 294.336 1.179 0 30 CDAC Nc1cnccc1N1CCN(c2ccccc2)CC1 3636835 MVKJSPMPQBGCLO-UHFFFAOYSA-N 254.337 1.990 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H]([C@H]2CCOC2)C1 238833335 APOLPHXZVLQZNU-TUAOUCFPSA-N 271.357 1.641 0 30 CDAC COC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@H](C)O 5735205 UTHSRMJVXNYLKG-RVMXOQNASA-N 264.362 1.229 0 30 CDAC CCOc1ccc([C@H](N)CS(C)(=O)=O)cc1OC 36293740 GQCGKOCDUDCTJT-SNVBAGLBSA-N 273.354 1.138 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CCN[C@H](CC(F)F)C1 218024595 SRYYUDXHIBROGF-MRVPVSSYSA-N 250.289 1.851 0 30 CDAC O=C1CCc2cc(C3=NNC(=O)[C@H]4C[C@@H]34)ccc2N1 38174812 LYGJKDQCOGHYOE-ZJUUUORDSA-N 255.277 1.041 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H]1CCCCO1 695031012 JWTOLTDCGMMLII-RKDXNWHRSA-N 259.302 1.533 0 30 CDAC CCOc1cc(C)cc2cc(-c3nnn[nH]3)c(=O)oc12 33873162 NOFHBOVBHUAKKZ-UHFFFAOYSA-N 272.264 1.680 0 30 CDAC CCOC(=O)[C@H]1OCCN1C(=O)OCc1ccccc1 72233022 AKYSKQVFZAYLSD-GFCCVEGCSA-N 279.292 1.545 0 30 CDAC COCc1cc(OC(=O)N(C)C)nc(-c2ccncc2)n1 89295 CXDLLEFUMOWEFD-UHFFFAOYSA-N 288.307 1.745 0 30 CDAC CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)O 115228125 NWXBHCBBFZOTOQ-UHFFFAOYSA-N 258.295 1.576 0 30 CDAC O=C1CC[C@@](c2ccccc2)(C2CCNCC2)C(=O)N1 82095471 WCKABEIXAFZEIO-MRXNPFEDSA-N 272.348 1.361 0 30 CDAC Ic1n[nH]c2cc3c(cc12)OCO3 96321233 LRAGKZWJZNTQFX-UHFFFAOYSA-N 288.044 1.896 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)CNC[C@H]2C(=O)O 382677316 XPGMCVMRSSCCPJ-JTQLQIEISA-N 284.356 1.308 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H](C(C(=O)O)C(=O)O)C1 113626754 YVURRNSWNKXGGT-SSDOTTSWSA-N 273.285 1.029 0 30 CDAC in-vitro O=C(N[C@H]1CCOC[C@@H]1O)OCc1ccccc1 706729113 NNPZVJYFQGRHEV-RYUDHWBXSA-N 251.282 1.063 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 144226859 XTVNSJSQUVHEML-VHSXEESVSA-N 255.314 1.964 0 30 CDAC CC(C)(C)OC(=O)N1CCN2C(=O)NCC[C@H]2C1 307512890 FDLSFQJSNYBLEU-VIFPVBQESA-N 255.318 1.021 0 30 CDAC CC1=C(I)C(=O)OC(C)(C)O1 35994555 BXEJDKOVKRAGSM-UHFFFAOYSA-N 268.050 1.962 0 30 CDAC O=C(O)c1nccnc1-c1nc2ccccc2c(=O)[nH]1 119321 NJOWLSOJSANODJ-UHFFFAOYSA-N 268.232 1.078 0 30 CDAC C[C@H](ON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 34092501 APBDROVGLRLEDJ-VIFPVBQESA-N 291.303 1.944 0 30 CDAC NS(=O)(=O)c1cc(Cl)cc(Br)c1F 575676291 PDBZRDSEDGYRSO-UHFFFAOYSA-N 288.525 1.889 0 30 CDAC CN1CC[C@@H](N)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 685954988 RHGSYUXKQKOARI-RISCZKNCSA-N 269.389 1.419 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 575555922 DONLAKDVNUXGSC-FIQHERPVSA-N 252.358 1.851 0 30 CDAC COC(=O)c1ccc([C@H](N)c2nccnc2Cl)cc1 223958300 LPMMDMUDSRORAW-JTQLQIEISA-N 277.711 1.965 0 30 CDAC Cc1cc(Br)ccc1CC(=O)C(=O)O 306579946 NTRVBEKQHAMGCL-UHFFFAOYSA-N 257.083 1.954 0 30 CDAC CCN(CC)CCCN1C[C@@H]2CCC[C@H](C1)N2C 19368673 HGZPLIIKRZQZRG-GASCZTMLSA-N 253.434 1.887 0 30 CDAC O=C(O)c1ccccc1C(=O)NC[C@H](O)c1ccccc1 4325223 XQMGZUDXRUQXII-AWEZNQCLSA-N 285.299 1.848 0 30 CDAC CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OC 2391853 VLNHKSCDLQIJMI-SECBINFHSA-N 255.314 1.156 0 30 CDAC FC(F)(F)c1nc(Br)c2n1CCNC2 89195626 DYFZBHNKYYMPNJ-UHFFFAOYSA-N 270.052 1.768 0 30 CDAC O=C1CC(=O)[C@H](c2ccc(Br)cc2)N1 96959051 XGZMFIIDPGKWKW-JTQLQIEISA-N 254.083 1.579 0 30 CDAC CC(C)(C)OC(=O)N1CCO[C@@H]2C(CN)=CC[C@H]21 514269617 NTYIHSHJYHJGGG-GHMZBOCLSA-N 254.330 1.280 0 30 CDAC CCOC(=O)Cn1c(=O)cc(C(=O)OC)c2ccccc21 498050744 OYPXRLPZRPFXNQ-UHFFFAOYSA-N 289.287 1.351 0 30 CDAC N[C@H](Cc1csc(Br)c1)C(=O)O 96896959 AIKYXJKPTHOFIR-RXMQYKEDSA-N 250.117 1.465 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2CN 675080941 XYYZXQOMVJWNJF-GXFFZTMASA-N 256.346 1.361 0 30 CDAC O=C(O)[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 8698669 GHPUENVSRZQKTE-AWEZNQCLSA-N 275.348 2.000 0 30 CDAC in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1N)C(=O)O 725239907 DQCCCZHRDDOFBL-NSHDSACASA-N 298.314 1.928 0 30 CDAC CCc1nc(Cn2c(C)ncc(Br)c2=O)no1 90767952 XETAJPCLCCGKOE-UHFFFAOYSA-N 299.128 1.308 0 30 CDAC Cc1c(S(N)(=O)=O)sc(C(=O)O)c1Cl 98209711 RUYOYBYONCKOIB-UHFFFAOYSA-N 255.704 1.056 0 30 CDAC COC(=O)C(=CN(C)C)S(=O)(=O)c1ccccc1F 96511606 GMJQWZDVDDHRHX-UHFFFAOYSA-N 287.312 1.175 0 30 CDAC O=C(O)CSCC(=O)NC1Cc2ccccc2C1 146595 JHJNLAQFMHPAPC-UHFFFAOYSA-N 265.334 1.088 0 30 CDAC CC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1cccnc1 33605355 MJXZBJCKDZKESQ-ZJUUUORDSA-N 252.295 1.129 0 30 CDAC COC(=O)[C@H](C[C@H]1CCCNC1)NC(=O)OC(C)(C)C 142550792 MIHZSPDEBFBJHD-MNOVXSKESA-N 286.372 1.442 0 30 CDAC CC(C)S(=O)(=O)c1cnc(C(F)(F)F)nc1N 1035833 IXXDEFCJMUXIQY-UHFFFAOYSA-N 269.248 1.260 0 30 CDAC C[C@@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O 19394022 ISZMSTLXGGJJCR-MLUIRONXSA-N 292.118 1.557 0 30 CDAC CC(C)(C)OC(=O)N1CCC(CN2CCNCC2)CC1 43214564 UYZVZLYOXDJHPR-UHFFFAOYSA-N 283.416 1.539 0 30 CDAC O=C1c2ccc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1O 14806341 VRTGGIJPIYOHGT-CABCVRRESA-N 272.256 1.775 0 30 CDAC endogenous,in-man NC(=O)[C@H](O)c1ccc(OCc2ccccc2)cc1 39134930 KGGCALWYJQVXHC-CQSZACIVSA-N 257.289 1.784 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccnn1-c1ccccc1 605705666 XKPPBHWOGGYUFN-UHFFFAOYSA-N 288.156 1.126 0 30 CDAC in-vitro C[C@]1(C2CC2)NC(=O)N(c2cccc(CN)c2)C1=O 148587382 DQVVWNHMMCAUDD-CQSZACIVSA-N 259.309 1.370 0 30 CDAC O=C(Cn1nnc(N2CCCCC2)n1)c1ccccc1 88951 HDSHNFFQUMQFHK-UHFFFAOYSA-N 271.324 1.546 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2O[C@H](CO)CC[C@@H]21 238114782 DDODHLUDMIVDHJ-DCAQKATOSA-N 257.330 1.536 0 30 CDAC CCCOC(=O)[C@H]1c2ccc(O)cc2[C@@H](O)CN1C 5647980 UYQLMPDQOLGGOL-QWHCGFSZSA-N 265.309 1.365 0 30 CDAC CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C(=O)O 146500160 WGHGBLXJADIZHC-DTWKUNHWSA-N 259.302 1.222 0 30 CDAC CN1CCO[C@@]2(C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 261509073 ZPEHORHNGMXFAT-XUJVJEKNSA-N 282.384 1.859 0 30 CDAC Brc1ccc(N2[C@H]3CC[C@H]2CNC3)nc1 663279830 AKWLAPKUPOAODL-UWVGGRQHSA-N 268.158 1.785 0 30 CDAC Cn1c2c(c(=O)c3ccccc31)C[C@H](O)C(C)(C)O2 5261021 HUPKGVIVTBASQC-LBPRGKRZSA-N 259.305 1.613 0 30 CDAC biogenic,in-vitro O=C(O)CC[C@H]([C@H](CC(=O)O)c1ccccc1)[N+](=O)[O-] 90469694 GESPDRVBWUJHEY-GHMZBOCLSA-N 281.264 1.755 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCCN(CCC(=O)O)C1 108184146 ZPLUOEHUZZDSND-SNVBAGLBSA-N 272.345 1.450 0 30 CDAC Cc1ccc(S(N)(=O)=O)cc1I 36984581 CDARHVDXDFHNPQ-UHFFFAOYSA-N 297.117 1.247 0 30 CDAC CC(C)(C)OC(=O)N1CCc2nc(CCN)sc2C1 675077055 WXCWQKWMPNDRRU-UHFFFAOYSA-N 283.397 1.938 0 30 CDAC CC(C)(C)OC(=O)NC1=C[C@@]2(CCNC2)C(=O)N1C1CC1 1384883000 XLLCTZPPDWKAPZ-OAHLLOKOSA-N 293.367 1.337 0 30 CDAC Cc1ccc(C(C)(C)O)cc1B(O)OC(C)(C)C(C)(C)O 2265356091 RTYVVCGNYKKCCJ-UHFFFAOYSA-N 294.200 1.476 0 30 CDAC Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@H](O)[C@@H]2O)cc1 104875569 FSVMLWOLZHGCQX-KKUMJFAQSA-N 290.271 1.331 0 30 CDAC O=C(O)c1ccnc(F)c1I 307485294 APUPFQOLZXACNZ-UHFFFAOYSA-N 266.997 1.524 0 30 CDAC CCOC(=O)CN1Cc2cc(Cl)ccc2C1=O 260028175 CPNUBEQFEWOJFV-UHFFFAOYSA-N 253.685 1.859 0 30 CDAC O=C(O)[C@H]1CC2(COC(c3ccccc3)OC2)[C@@H]1C(=O)O 136569 QNLIMAVCEHFZOL-WZWWUGBPSA-N 292.287 1.524 0 30 CDAC COC(=O)C(C)(C)NCc1cccc(OC)c1OC 37085377 WOFXBVQEIGAGNI-UHFFFAOYSA-N 267.325 1.745 0 30 CDAC O=C(CC[C@H]1CCCO1)N[C@H]1CC[C@H](C(=O)O)CC1 685945614 JVAZVMXJIDFFFC-IJLUTSLNSA-N 269.341 1.705 0 30 CDAC OCc1nc(Cc2ccccc2Br)n[nH]1 86560202 PPNZAWAFDDXWHR-UHFFFAOYSA-N 268.114 1.650 0 30 CDAC in-vitro Cn1cncc1N1CCN(C(=O)OC(C)(C)C)CC1=O 116805053 SMZPTLDDEWHPJS-UHFFFAOYSA-N 280.328 1.004 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@](C(=O)O)(n2ccnc2)C1 1082853962 XWVYVHVGIALPRT-ZDUSSCGKSA-N 281.312 1.304 0 30 CDAC CC[C@]1(c2ccccc2)C=C(NC(C)=O)C(=O)NC1=O 2019193 CJHLYZLMQMLMIU-OAHLLOKOSA-N 272.304 1.011 0 30 CDAC CN1C(=O)C[C@H](c2cccc(Br)c2)C1=O 5965987 BEDAORKNVNNLMW-SECBINFHSA-N 268.110 1.921 0 30 CDAC CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 231938887 ABNVHVKLRCQXOW-AAOYHXPRSA-N 289.331 1.149 0 30 CDAC COc1ccc(S(=O)(=O)Nc2ccnn2C)cc1 116781 IWSKVQPYBBDSFR-UHFFFAOYSA-N 267.310 1.230 0 30 CDAC CN[C@H](C)c1cccc(N2C[C@H](C)CS2(=O)=O)c1 93634661 CUBYMVJCKPGVNS-WDEREUQCSA-N 268.382 1.753 0 30 CDAC CN(C)CCCN1C(=O)[C@H](c2ccc(O)cc2)NC1=S 223709466 QUOBDGGMHMLMRK-LBPRGKRZSA-N 293.392 1.102 0 30 CDAC CCOC(=O)[C@H](N)Cc1csc(Br)c1 259680709 SDJMQGWDFXDBGI-SSDOTTSWSA-N 278.171 1.944 0 30 CDAC CC(C)(C)OC(=O)NC1(c2ncc(C(=O)O)cn2)CC1 584882360 DRCIBWOWOXQHBP-UHFFFAOYSA-N 279.296 1.689 0 30 CDAC O=C(O)[C@H]1C2CCC(Br)(CC2)[C@H]1C(=O)O 3128039 UBYOBZLYTYDIOS-IUBIVETDSA-N 277.114 1.726 0 30 CDAC CCOc1nc(C)ncc1C(=O)NC[C@H]1CCCN1CC 33886090 DWYQHWWSJRBABU-GFCCVEGCSA-N 292.383 1.398 0 30 CDAC CC(C)(C)OC(=O)N1CCN([S@](C)(=N)=O)CC1 872528270 GPTUQIVMEWQBRQ-KRWDZBQOSA-N 263.363 1.131 0 30 CDAC NS(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 130516225 APLHUFANCOFLEF-LBPRGKRZSA-N 298.364 1.076 0 30 CDAC Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@H](O)[C@@H]2O)cc1 968161 FSVMLWOLZHGCQX-ILXRZTDVSA-N 290.271 1.331 0 30 CDAC biogenic,in-vitro CN(C)c1noc(CCNC(=O)OC(C)(C)C)n1 96034456 NQUNIQGMGZZCQA-UHFFFAOYSA-N 256.306 1.203 0 30 CDAC O=C(O)CCNC(=S)Nc1ccc(F)cc1F 89596 HWHCSJCGBITZKH-UHFFFAOYSA-N 260.265 1.726 0 30 CDAC Cc1ccc(Br)cc1C(=O)N(C)CC(=O)O 83688773 NQKPNPSGHFJRBC-UHFFFAOYSA-N 286.125 1.914 0 30 CDAC in-vitro CN(C)C=Cc1nccc2c1cnc1c(C#N)cnn12 3048364 VSEHXOIVAKSMIV-UHFFFAOYSA-N 264.292 1.681 0 30 CDAC CC1(C)CC2=C(O)C3=C(C[C@](C)(O)[C@H]2C1)C(=O)O[C@@H]3O 139046169 GINCJTIDIQXYHK-FGEZKYSXSA-N 280.320 1.561 0 30 CDAC CS(=O)(=O)CCCOc1cncc(Br)c1 70486449 CFKNIXMINPGCJO-UHFFFAOYSA-N 294.170 1.658 0 30 CDAC COC(=O)c1onc(Br)c1C(=O)OC 238369109 AYDSAFDSYUJNJV-UHFFFAOYSA-N 264.031 1.010 0 30 CDAC COC(=O)CCc1nnc(Br)s1 259848720 NIWMLBCNGKSCFC-UHFFFAOYSA-N 251.105 1.406 0 30 CDAC CCN(C(C)=O)c1ccc(NS(C)(=O)=O)cc1 5298829 RRMQZJCCMGMUJX-UHFFFAOYSA-N 256.327 1.431 0 30 CDAC Cc1cc(C)n(-c2ccc(N3C[C@H](C)O[C@H](C)C3)nn2)n1 18055548 OFLJFYONMCSNGT-BETUJISGSA-N 287.367 1.893 0 30 CDAC CN(c1ccc(Br)cn1)[C@H]1CCNC1 70917442 KQGYYQZNQRSHSC-VIFPVBQESA-N 256.147 1.642 0 30 CDAC CC(C)(C)OC(=O)NCc1ccc2c(c1)C(=O)NCC2 95348249 QPABEEHUBAPXEL-UHFFFAOYSA-N 276.336 1.997 0 30 CDAC NC1(c2ccc(Br)cn2)CCOCC1 114767841 UWOJZGDNBZYEMO-UHFFFAOYSA-N 257.131 1.809 0 30 CDAC OCCCCn1cc(I)cn1 70678229 BPUACSNWZRBZMV-UHFFFAOYSA-N 266.082 1.260 0 30 CDAC CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2C)cc1 116183 GQRINALNRQWDRY-UHFFFAOYSA-N 294.336 1.179 0 30 CDAC C[C@H]1Cc2cc(C3=NN[C@@](O)(C(F)(F)F)C3)ccc2O1 114746 FXUQHRFZFYKPLC-MADCSZMMSA-N 286.253 1.958 0 30 CDAC CC(=O)N(c1cc(C)on1)S(=O)(=O)c1ccc(N)cc1 873 WOTJLXVSBKKTTH-UHFFFAOYSA-N 295.320 1.307 0 30 CDAC O=C(O)CCCc1ccc(N2C(=O)C=CC2=O)cc1 96032267 FVVLNTONACGHGU-UHFFFAOYSA-N 259.261 1.523 0 30 CDAC CCOC(=O)CNc1ncccc1Br 44379167 TXSKQSRRNHZQES-UHFFFAOYSA-N 259.103 1.819 0 30 CDAC O=C1c2ccccc2C(=O)N1CN1CCSCC1 20223435 GHZCCPVHKCGMGB-UHFFFAOYSA-N 262.334 1.289 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@@H](CN)O2 757137970 PHAPVYMZJHFXMB-LLVKDONJSA-N 286.372 1.130 0 30 CDAC CCOC(=O)c1ccc(C(=O)OCC)c(C(=O)OCC)n1 96346848 VHGMVGKGVBTICM-UHFFFAOYSA-N 295.291 1.612 0 30 CDAC COC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C[C@H]3C(=O)OC)[C@@H]12 256601823 SZJZYNFPYKENTG-AYAQEJOPSA-N 252.310 1.631 0 30 CDAC COc1ccc(=O)n(CCOc2ccc(F)cc2)n1 188879483 UZXOLIUSMLAJRZ-UHFFFAOYSA-N 264.256 1.470 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H](CN2CCNCC2)C1 43214556 DOGRKKFAWSBARB-CYBMUJFWSA-N 283.416 1.539 0 30 CDAC Cc1noc(C)c1NC(=O)N[C@@H]1CCCCNC1=O 1034916 BHTWRZSVMUPDNV-SECBINFHSA-N 266.301 1.082 0 30 CDAC CN(C)C(=O)COc1ccc(C(F)(F)C(=O)O)cc1 95879196 FENYKYOLOFTEAV-UHFFFAOYSA-N 273.235 1.330 0 30 CDAC CN1CC[C@H](N)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 685954986 RHGSYUXKQKOARI-FZMZJTMJSA-N 269.389 1.419 0 30 CDAC CCOC(=O)[C@@H]1NCCc2cc(OC)c(OC)cc21 21998681 XPAWRVKFFVLAKU-CYBMUJFWSA-N 265.309 1.454 0 30 CDAC CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@H]1N 259556179 HUJJKWSEEUDHJK-UONOGXRCSA-N 262.353 1.399 0 30 CDAC CC(C)(C)OC(=O)N1CCN([S@@](C)(=N)=O)CC1 872528271 GPTUQIVMEWQBRQ-QGZVFWFLSA-N 263.363 1.131 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CC(=O)C12CCOCC2 685945670 ULZYGKDKXVJDFH-SECBINFHSA-N 255.314 1.649 0 30 CDAC Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)S2(=O)=O 52125868 JQXMZIKFARBGHD-UHFFFAOYSA-N 288.328 1.614 0 30 CDAC Cc1ncc(CN2CS[C@H](CCO)[C@H]2C)c(N)n1 1644969 UHDJMGZAZNFDEZ-LDYMZIIASA-N 268.386 1.013 0 30 CDAC C[C@H](N)CCN1CCN(c2ccc(F)cc2)CC1 37401916 ZBVOLUTWLMZUGY-LBPRGKRZSA-N 251.349 1.685 0 30 CDAC CC(C)(C)OC(=O)NC[C@@H](CO)Cc1ccncc1 98210229 AJIHEBVRKYZKRG-LBPRGKRZSA-N 266.341 1.757 0 30 CDAC CCCCNC(=O)CSc1ccnc(C(=O)O)c1 93518111 JJMXVXGSOGWECK-UHFFFAOYSA-N 268.338 1.788 0 30 CDAC CCOC(=O)C(C#N)=NNc1c(F)cccc1F 254788342 PJNOGMHMEDVRQB-UHFFFAOYSA-N 253.208 1.819 0 30 CDAC CC(C)Oc1ccc(B(O)OC(C)(C)C(C)(C)O)cn1 198040644 KQXMHYNPRHDVJY-UHFFFAOYSA-N 281.161 1.122 0 30 CDAC CC(C)(C)OC(=O)C(C)(C)S(=O)(=O)c1ccccn1 132099 MAOKWWPTIUFWGW-UHFFFAOYSA-N 285.365 1.976 0 30 CDAC Nc1cccc2nnn(I)c12 255987029 MBWOVVYSVGQTHP-UHFFFAOYSA-N 260.038 1.212 0 30 CDAC NN(CCO)C(=S)Nc1ccc(OC(F)(F)F)cc1 104943 OXMBFIMVUGPMMO-UHFFFAOYSA-N 295.286 1.450 0 30 CDAC N=c1ccc(-c2ccc(O)cc2)nn1CCCC(=O)O 103553046 CLBZOXNFDJCREI-UHFFFAOYSA-N 273.292 1.600 0 30 CDAC in-vitro CCOC(=O)c1nnn(-c2ccc(Cl)cc2)c1O 105715 CHTQRNIOGWBNSN-UHFFFAOYSA-N 267.672 1.803 0 30 CDAC CC[C@H](CO)NC(=S)Nc1ccsc1C(=O)OC 117167 NYNPVKPLEDLSMP-SSDOTTSWSA-N 288.394 1.592 0 30 CDAC CCOc1cc(N2CCN3CCC[C@@H]3C2)ccc1N 94458077 GMWKJWUTBRPPKF-CYBMUJFWSA-N 261.369 1.952 0 30 CDAC Cc1cc(C)n2nc(C(C#N)=CN(C)C)c(C#N)c2n1 33552117 YAUXQWPJOVNJOH-UHFFFAOYSA-N 266.308 1.644 0 30 CDAC CC(C)(C)OC(=O)N1CCc2[nH]c(=O)cc(O)c2CC1 85221662 MLEMVVFYMMWVBG-UHFFFAOYSA-N 280.324 1.416 0 30 CDAC Cc1cc(CS(N)(=O)=O)ccc1Br 85708241 LAUFISBFCGSNLP-UHFFFAOYSA-N 264.144 1.546 0 30 CDAC Cc1cc(N)n(-c2cccc(S(=O)(=O)O)c2)n1 2572263 MVUDWRDRXUICGJ-UHFFFAOYSA-N 253.283 1.010 0 30 CDAC OCCNC(=S)Nc1ccc(OC(F)(F)F)cc1 3119627 KAFIQYCWMWYDCQ-UHFFFAOYSA-N 280.271 1.864 0 30 CDAC CC(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 22149459 OJQDZYUOVBSIJQ-NSHDSACASA-N 251.282 1.160 0 30 CDAC CC(C)(C)OC(=O)[C@](N)(CC(=O)O)c1ccccc1 96336531 SAHQVGUAMGJPHY-AWEZNQCLSA-N 265.309 1.657 0 30 CDAC Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1 6426910 BVJCEOSLVIARID-LLVKDONJSA-N 255.339 1.140 0 30 CDAC COc1cc([C@H]2NC[C@H](O)c3cc(O)ccc32)ccc1O 31274334 STYTWIOMLSAZOK-GOEBONIOSA-N 287.315 1.832 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](CN)CO2)C1 110914971 HIIRWGRMPFSSLM-ZWNOBZJWSA-N 256.346 1.361 0 30 CDAC COC(=O)/C=C(\C)N[C@H](C(=O)O)C1=CCC=CC1 21988954 KLSJALAGRWLJNT-BCPZQOPPSA-N 251.282 1.382 0 30 CDAC COC(=O)c1scc(S(=O)(=O)C(C)(C)C)c1N 96069 BWGFQBTYIMTGIW-UHFFFAOYSA-N 277.367 1.689 0 30 CDAC Cc1sc(C)c(S(N)(=O)=O)c1Br 39296676 XLAYXUQFQMMLJY-UHFFFAOYSA-N 270.173 1.775 0 30 CDAC CCOCC(=O)Nc1ccc(F)cc1C(=O)OC 70257308 XPLDDLFAJCULQY-UHFFFAOYSA-N 255.245 1.587 0 30 CDAC CCN1CCN(c2c(N)cnc3ccccc23)CC1 125209673 WMCZQGKIXMGQFS-UHFFFAOYSA-N 256.353 1.959 0 30 CDAC CC(C)(C)OC(=O)N1C(=O)CC(=O)[C@H]2CCC[C@@H]21 217846279 CZPCMWRYIGSHBW-IUCAKERBSA-N 253.298 1.892 0 30 CDAC COC(=O)CCC1(Cc2ccccc2)OCCO1 5996875 BQGGHVZNRMUBRQ-UHFFFAOYSA-N 250.294 1.925 0 30 CDAC N=C(N)COc1ccc(C(=O)NC2CCCC2)cc1 83254785 HTAHWFNFLITUNJ-UHFFFAOYSA-N 261.325 1.674 0 30 CDAC in-vitro O=C(Nc1sccc1C(=O)O)c1ccc(O)nn1 37450543 BXPLKKAKDQFUJP-UHFFFAOYSA-N 265.250 1.194 0 30 CDAC CC1(C)OC[C@@H](COc2cccc(C(=O)O)n2)O1 113893373 SAHLVKZNPSBQQE-MRVPVSSYSA-N 253.254 1.310 0 30 CDAC O=C(O)c1cc(F)cc([N+](=O)[O-])c1NC(=O)C(F)(F)F 117447704 KAXDJEIDYULCBN-UHFFFAOYSA-N 296.132 1.933 0 30 CDAC in-vitro Cn1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)n1 394825982 KLDGSLZMQZNDLR-ZIAGYGMSSA-N 285.347 1.720 0 30 CDAC COC(=O)CNCc1cc(Cl)c2c(c1)OCO2 34962498 XSDJSLYXSIQEGM-UHFFFAOYSA-N 257.673 1.331 0 30 CDAC in-vitro CN1CCN(c2cc(F)c(Br)cc2N)CC1 85105313 SGHQEGFXYIEAHR-UHFFFAOYSA-N 288.164 1.922 0 30 CDAC CON(C)C(=O)c1csc(Br)n1 146766550 AYKXSQPCHDEZTL-UHFFFAOYSA-N 251.105 1.539 0 30 CDAC CC(C)(C)OC(=O)NCC12CC(C)(C1)O[C@@H]2C(=O)O 2265381527 YALLRNPUKIVCCN-MWBRBAFOSA-N 271.313 1.533 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@]2(CNC[C@H]2C(=O)O)C1 757184548 LLJFKPUSZRMYQR-IINYFYTJSA-N 284.356 1.308 0 30 CDAC COC(=O)[C@@H]1C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 381980208 MLQGVKOJXVIEKS-NGZCFLSTSA-N 283.324 1.232 0 30 CDAC CP1(=O)OCC2(CO1)COP(C)(=O)OC2 5734465 ACRCGKKNPOZIPG-UHFFFAOYSA-N 256.131 1.712 0 30 CDAC CSC1=N[C@H]2CCNC[C@@H]2C(=O)N1c1ccccc1 72233072 HVKFBABTZSKOLX-RYUDHWBXSA-N 275.377 1.730 0 30 CDAC COC(=O)n1[nH]c(=O)c2cc(Br)ccc21 95642227 NBHYGXGUBNWGQG-UHFFFAOYSA-N 271.070 1.707 0 30 CDAC O=C(O)c1ccoc1S(=O)(=O)c1ccccc1 238853994 LZVYLIIUPIZULY-UHFFFAOYSA-N 252.247 1.811 0 30 CDAC O=[N+]([O-])c1ccc2c(ccn2[C@@H]2C[C@@H](O)[C@H](CO)O2)c1 2381528 ODPRBLIUAVWXNM-AGIUHOORSA-N 278.264 1.190 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](F)[C@@](F)(C(=O)O)C1 217677747 YCLWQLMUPRBYIC-QUBYGPBYSA-N 251.229 1.368 0 30 CDAC CC(C)CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C 13284720 MGAOAMZOLCYPSY-UHFFFAOYSA-N 296.396 1.109 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](CCN)C[C@@H]1C(=O)O 238854280 NHWPMCHBQRITJA-DTWKUNHWSA-N 258.318 1.045 0 30 CDAC CC1(C)OC[C@@H]([C@H]2CN(Cc3ccccc3)C(=O)CO2)O1 584879950 QVAIWVKRWAEMPF-KGLIPLIRSA-N 291.347 1.566 0 30 CDAC O=C1c2ccccc2C(=O)N1[C@H](CO)[C@@H](O)c1ccccc1 174061 WYYYOFSHOBFXNF-CABCVRRESA-N 297.310 1.377 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc2cc(F)ccc2[nH]1 200313500 FGFKSFGFRDONBO-UHFFFAOYSA-N 279.120 1.561 0 30 CDAC O=C(O)Cc1cc(I)ccc1O 217794039 CZYBBNFQPLZDEG-UHFFFAOYSA-N 278.045 1.624 0 30 CDAC COCCOCCNC[C@H]1COc2ccccc2O1 1843055 IRDXKUVPWPVZMA-LBPRGKRZSA-N 267.325 1.079 0 30 CDAC in-man COC(=O)[C@H](N)Cc1ccc(Oc2cccnc2)cc1 35630202 KCDFQZJZENUBND-CQSZACIVSA-N 272.304 1.917 0 30 CDAC CC(C)(CO)NC(=S)NC(=O)c1ccccc1 51943702 BAUVCTZGKZNUMV-UHFFFAOYSA-N 252.339 1.062 0 30 CDAC NC(=S)c1cc(NC(=O)c2cn[nH]c2)ccc1F 62777631 ZPCDUZWVVYUMTC-UHFFFAOYSA-N 264.285 1.435 0 30 CDAC COc1cc2c(cc1OC)C(=O)CC1(CCNCC1)O2 72232993 YZNGBJNAUHZZOM-UHFFFAOYSA-N 277.320 1.791 0 30 CDAC CC(C)(C)OC(=O)NCCc1cccc(C(=O)O)n1 95764022 ABKHMFJSFOQTOI-UHFFFAOYSA-N 266.297 1.847 0 30 CDAC Sc1nnnn1Cc1ccc(Br)cc1 42240307 NDALEVNMRAKOND-UHFFFAOYSA-N 271.143 1.773 0 30 CDAC O=C1CC(=O)[C@H](c2ccccc2Br)N1 96959052 BYPCMCNSCWSYIL-JTQLQIEISA-N 254.083 1.579 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1cnc(F)[nH]1)C(=O)O 217342866 KVZOWQWJSNGOPA-SSDOTTSWSA-N 273.264 1.069 0 30 CDAC CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)O)CCO1 2265347436 SNSVCJLUROZPJG-IUCAKERBSA-N 259.302 1.391 0 30 CDAC CC(C)(C)n1ncc(I)c1N 87418680 MZWDKHZNMMJONV-UHFFFAOYSA-N 265.098 1.825 0 30 CDAC Cc1cc(Cl)ccc1NCN1C(=O)CNC1=S 100647 JKTQSKVWEJRRTI-UHFFFAOYSA-N 269.757 1.735 0 30 CDAC CC(C)CNC(=S)NCCNC(=O)OC(C)(C)C 3078779 UNRMLKAMZSDWEM-UHFFFAOYSA-N 275.418 1.631 0 30 CDAC COc1ccc(C(=O)Nc2ncccn2)c(OC)c1 5513287 VOSFPLGADAMBNV-UHFFFAOYSA-N 259.265 1.746 0 30 CDAC CCOC(=O)[C@](NC(C)=O)(N1CCCCC1)C(F)(F)F 20458853 VDHBEPMZGYXJAH-NSHDSACASA-N 296.289 1.430 0 30 CDAC CCOC(=O)[C@H](NC(C)=O)P(=O)(OCC)OCC 136204838 NGYQCNJIUGBWQX-SECBINFHSA-N 281.245 1.278 0 30 CDAC CCOC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)cc1 2021754 AXIFAUVPXCABHW-CYBMUJFWSA-N 296.367 1.993 0 30 CDAC CCOC(=O)[C@@H]1CNc2c(Br)cnn2C1 228757275 KFTZNJCZQARODP-ZCFIWIBFSA-N 274.118 1.250 0 30 CDAC CC(=O)Oc1cc2c(cc1OC(C)=O)C[C@@H](N)CC2 5166814 WZSCMINJNIXGKD-LBPRGKRZSA-N 263.293 1.353 0 30 CDAC C[C@]1(C(=O)O)CNCCN1C(=O)OCc1ccccc1 87493294 QETQGSFOSNOHFZ-CQSZACIVSA-N 278.308 1.072 0 30 CDAC NNC(=S)NCCc1ccc(Cl)c(Cl)c1 716329763 UEPAYURPTKAKFO-UHFFFAOYSA-N 264.181 1.874 0 30 CDAC C[C@]12C=C3OC(=O)C(CO)=C3C[C@@H]1[C@H](CO)[C@H]1C[C@H]12 257555090 ULWLTEZXDAFDPV-HANFTRQESA-N 262.305 1.000 0 30 CDAC biogenic COCc1cc(=O)[nH]c(SCC(=O)C(C)(C)C)n1 13468278 LEUUXGQLFCEHFI-UHFFFAOYSA-N 270.354 1.624 0 30 CDAC CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 103588732 DDHAJFBBJWHSBR-CLLJXQQHSA-N 298.390 1.928 0 30 CDAC investigational CC(C)(C)OC(=O)NC[C@@H](CO)Cc1ccccn1 98210086 POCFPDXRIGQUIJ-NSHDSACASA-N 266.341 1.757 0 30 CDAC CN(C)CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O 69561078 QMFFRFJULKQHLD-VIFPVBQESA-N 292.401 1.259 0 30 CDAC O=C(O)CCS(=O)(=O)c1cccc(Br)c1 55306446 RSIPNHYNPKIZHA-UHFFFAOYSA-N 293.138 1.698 0 30 CDAC CN1c2ccc(Br)cc2NS1(=O)=O 306514543 ANADZVMFYOQQDP-UHFFFAOYSA-N 263.116 1.556 0 30 CDAC C[C@@H]1CN(c2nnc(Br)s2)C[C@@H](C)O1 77898428 YVYAMLQGTQKWOA-PHDIDXHHSA-N 278.175 1.914 0 30 CDAC O=C1c2ccccc2C(=O)N1Cc1ccn(CC(F)F)n1 238854104 MTJCARYQSIWVBF-UHFFFAOYSA-N 291.257 1.944 0 30 CDAC COC(=O)C[C@H]1CC[C@H](OC2CCNCC2)CC1 142115160 QAHXQQNTUQMSKI-TXEJJXNPSA-N 255.358 1.877 0 30 CDAC CC(C)(C)OC(=O)N[C@H](CCc1ccccn1)C(=O)O 69553793 RYMLYFDWMMRAPS-LLVKDONJSA-N 280.324 1.992 0 30 CDAC N#CCC(=O)NN=C(CC(=O)C(F)(F)F)c1ccccc1 254850269 VFHMFYCKJAIAOI-UHFFFAOYSA-N 297.236 1.942 0 30 CDAC O=C(NC(=O)N1CCSC1)c1c(F)cccc1F 166261 OUCBAHJJKBFQBX-UHFFFAOYSA-N 272.276 1.821 0 30 CDAC CN1CCC[C@H](n2cc3cc(F)cc(C(N)=O)c3n2)C1 118481058 MERFKGXARLTHIL-NSHDSACASA-N 276.315 1.541 0 30 CDAC C1COCCOCCSCCSCCOCCO1 33801650 YPWJPPTWZSDQOY-UHFFFAOYSA-N 296.454 1.533 0 30 CDAC COc1ccc(/C=C2/N=C3S[C@H](C)C(=O)N3C2=O)cc1 4697542 PFMCCQCKLZNAEI-XAPLUZPNSA-N 288.328 1.896 0 30 CDAC CC(C)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95088470 HURMVDAJJJYCJI-CVEARBPZSA-N 262.397 1.867 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN)OC2)C1 307739719 LSINTCYZJFPPPD-JTQLQIEISA-N 256.346 1.361 0 30 CDAC O=S(=O)(NC[C@@H]1CCCN1)c1cccc2cnccc12 14958052 CMAVUZPUJHRVSP-LBPRGKRZSA-N 291.376 1.265 0 30 CDAC CCOC(=O)C(=O)CC(=O)c1ccc(OC)c(C)c1 105332648 BMNFXACMSQDUFG-UHFFFAOYSA-N 264.277 1.709 0 30 CDAC O=C1C=CC(=NNc2ccc(S(=O)(=O)O)cc2)C(O)=C1 256404837 RCQGIGSZSJQZDX-UHFFFAOYSA-N 294.288 1.282 0 30 CDAC O=C(O)CCCOc1ccc(S(=O)(=O)O)cc1 34064742 SSOVBNUHEAFNGQ-UHFFFAOYSA-N 260.267 1.177 0 30 CDAC COC(=O)c1ccc2nc(N3CCNCC3)oc2c1 2265384570 UNFSVFSLCYXLNB-UHFFFAOYSA-N 261.281 1.024 0 30 CDAC COc1cc2c(c(OC)c1OC)CC[C@H]2C(=O)O 35569545 PSCIKICHKWTSRA-MRVPVSSYSA-N 252.266 1.827 0 30 CDAC O=C(O)c1cc(S(=O)(=O)CC2CC2)ccc1F 36765546 MTFUBYBSMODJKN-UHFFFAOYSA-N 258.270 1.708 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 144227484 XTVNSJSQUVHEML-ZJUUUORDSA-N 255.314 1.964 0 30 CDAC NS(=O)(=O)c1cccc(NC(=O)Nc2ccccc2)c1 4325112 BXGWKSJDQKSXDR-UHFFFAOYSA-N 291.332 1.978 0 30 CDAC in-vivo CC(=O)n1c(=O)[nH]c2cc(Br)ccc21 95642434 DCERDWHADJGKRK-UHFFFAOYSA-N 255.071 1.752 0 30 CDAC C[C@H](NC[C@H](O)c1ccc(O)c(O)c1)C(Cl)Cl 114222124 CLQDDCYCLSEGQD-WKEGUHRASA-N 280.151 1.913 0 30 CDAC CC(C)(C)CC(=O)N(CC(N)=O)Cc1ccccc1N 35366828 XTODWUHFWLCZGR-UHFFFAOYSA-N 277.368 1.519 0 30 CDAC NCCCNS(=O)(=O)c1ccccc1Br 20475509 GGORYQROLPWBFY-UHFFFAOYSA-N 293.186 1.076 0 30 CDAC O=S1(=O)N=C(O)Nc2ccc(Br)cc21 34220245 VTJWRYVVYUVXJO-UHFFFAOYSA-N 277.099 1.477 0 30 CDAC O=C(OCCCOCCCO)c1ccccc1O 33649394 MCMYXBUPCAZMFP-UHFFFAOYSA-N 254.282 1.338 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CC[C@H](CN)OC2)C1 307739720 LSINTCYZJFPPPD-SNVBAGLBSA-N 256.346 1.361 0 30 CDAC COCCOc1ccc(Cl)cc1S(=O)(=O)O 87492631 RCBAFVMKGCVFQO-UHFFFAOYSA-N 266.702 1.612 0 30 CDAC CON(C)C(=O)c1cc(Br)ccc1N 34763967 OZAZWBXVBDWROJ-UHFFFAOYSA-N 259.103 1.665 0 30 CDAC COC(=O)[C@@H]1OCc2cc(Br)ccc2C1=O 2265385000 ORJAAJPHGTZYQU-SNVBAGLBSA-N 285.093 1.704 0 30 CDAC CCOC(=O)c1noc(Br)c1OC 2265365043 BQBDLLGIYGTRKK-UHFFFAOYSA-N 250.048 1.622 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(N)(CC(=O)O)C2 709305621 WXRONYJECXXMAI-UWVGGRQHSA-N 284.356 1.721 0 30 CDAC COC(=O)c1ccc(Br)n2cncc12 238380819 JZRXQRBTQCYYLS-UHFFFAOYSA-N 255.071 1.883 0 30 CDAC CC1=NN(C)C(=O)[C@]12CN(C(=O)OC(C)(C)C)[C@H](C)C2=O 725712277 QPDYXEOREFSSFW-XLKFXECMSA-N 295.339 1.029 0 30 CDAC CSc1ccccc1N1C[C@H](C(=O)O)CC1=O 112626 RMFCVUXXTMPICK-MRVPVSSYSA-N 251.307 1.846 0 30 CDAC COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1 168534 ZYLRYGWPYDSHDI-UHFFFAOYSA-N 267.310 1.230 0 30 CDAC COC(=O)[C@]12CNC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 396180551 FXWYACZKPVXLKB-ISTVAULSSA-N 284.356 1.052 0 30 CDAC Nc1cnc(CNC(=O)OCc2ccccc2)nc1 198576336 KKPMKGKRJPIHCS-UHFFFAOYSA-N 258.281 1.485 0 30 CDAC CC(C)(C)OC(=O)N1CCNCC12CCOCC2 212591989 RZRNKZMLUCKBNW-UHFFFAOYSA-N 256.346 1.376 0 30 CDAC COc1ccc(Br)c2c1OCCNC2 606294764 CIPHLCLVOLGBTO-UHFFFAOYSA-N 258.115 1.940 0 30 CDAC CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCCNCC1 98113860 UZOZWSPAGXEPQH-GFCCVEGCSA-N 270.373 1.319 0 30 CDAC O=C1c2ccc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O 100825111 VRTGGIJPIYOHGT-GJZGRUSLSA-N 272.256 1.775 0 30 CDAC endogenous,in-man CC(C)(C)OC(=O)N1CC(C(=O)O)(C2CCOCC2)C1 399068062 MXTQQYIVHNUEQP-UHFFFAOYSA-N 285.340 1.735 0 30 CDAC COC(=O)c1nn(C)c(C2CC2)c1Br 51330851 NAUAWSOZDQRWCQ-UHFFFAOYSA-N 259.103 1.847 0 30 CDAC in-vitro CCOC(=O)c1ccc(Cl)c(NC(=S)NN)c1 12368548 MMBCDWKVAIQWBP-UHFFFAOYSA-N 273.745 1.677 0 30 CDAC O[C@H](Cn1cc(Br)cn1)C(F)(F)F 82680389 ZYKHMZGMFVVBRB-RXMQYKEDSA-N 259.025 1.569 0 30 CDAC COCC(=O)Nc1cc(C)c(NC(=O)COC)cc1C 2525046 BUQRYDGYVGUKHL-UHFFFAOYSA-N 280.324 1.473 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C[C@H]1CCOC1)C(=O)O 69553857 YNYWZOUUORFIOY-RKDXNWHRSA-N 259.302 1.391 0 30 CDAC Cc1nn(C)c2c1CN[C@@H](COc1ccccc1)CO2 725712377 DUHHHGOQQWKWOS-LBPRGKRZSA-N 273.336 1.658 0 30 CDAC COc1nn2cccnc2c1I 616580626 ZKMKFHJVSAOXFL-UHFFFAOYSA-N 275.049 1.343 0 30 CDAC CCCC[C@H]1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O 2040042 IVELJTFCCSNMJA-ILDUYXDCSA-N 282.340 1.175 0 30 CDAC COc1cc(Br)ccc1C(=O)C(=O)O 258424210 PBRAMQVBIHXPKX-UHFFFAOYSA-N 259.055 1.725 0 30 CDAC NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 725343913 ZMTOICQMCRZYHK-UHFFFAOYSA-N 265.216 1.515 0 30 CDAC CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1 142657561 BSQPTZYKCAULBH-UHFFFAOYSA-N 259.353 1.040 0 30 CDAC CC1(C)OC[C@H]([C@@H](CO)OCc2ccccc2)O1 15204154 BCACQGHYULTSHT-CHWSQXEVSA-N 252.310 1.716 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](CCc1ccccn1)C(=O)O 69553791 RYMLYFDWMMRAPS-NSHDSACASA-N 280.324 1.992 0 30 CDAC O=C(O)CC[C@@H]([C@@H](CC(=O)O)c1ccccc1)[N+](=O)[O-] 90469697 GESPDRVBWUJHEY-QWRGUYRKSA-N 281.264 1.755 0 30 CDAC O=c1ccn(-c2ccc(F)cc2)nc1-c1cc[nH]n1 121511 PBWGJRKOMOVDBF-UHFFFAOYSA-N 256.240 1.762 0 30 CDAC Cn1ncc2c(N3CCCC[C@@H]3CCO)ncnc21 40429240 FEAWBAXVSKGXJI-SNVBAGLBSA-N 261.329 1.105 0 30 CDAC in-vitro CC(C)(C)OC(=O)N[C@H](CO)C[C@H]1CCCOC1 71624884 GABXFEMVHFECFK-MNOVXSKESA-N 259.346 1.689 0 30 CDAC Nc1nc(Cl)c(I)c(Cl)n1 203270762 IQVQQIGQOSEIAX-UHFFFAOYSA-N 289.891 1.970 0 30 CDAC CC(=O)Nc1ccc(C(=O)OCCN(C)C)cc1 1841004 FZLZGULUHIGIOT-UHFFFAOYSA-N 250.298 1.363 0 30 CDAC N[C@@H](CSc1ccccc1Br)C(=O)O 6095420 OJNHWDRFPGCMJP-ZETCQYMHSA-N 276.155 1.953 0 30 CDAC Cn1cc(S(N)(=O)=O)c2c(Br)cccc21 2265385073 WLQDTAMTPACEAI-UHFFFAOYSA-N 289.154 1.588 0 30 CDAC CC(C)[C@@H]1NC[C@]12C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2 675050142 GXGHQJIMONLFGZ-FJJYHAOUSA-N 284.400 1.649 0 30 CDAC C=C(C)C(=O)OCCOC(=O)[C@@H]1CCCC[C@@]1(C)C(=O)O 142051909 PZYDJJGYMJPKPS-XHDPSFHLSA-N 298.335 1.930 0 30 CDAC CN(Cc1cccnc1)C(=O)[C@H](CO)c1ccccc1 33852269 GWOKREXNFQNEHW-OAHLLOKOSA-N 270.332 1.816 0 30 CDAC in-man CCOC(=O)c1cc(Cl)nc(C(=O)OCC)c1N 2265378660 FSXYZMGJOMVUMQ-UHFFFAOYSA-N 272.688 1.671 0 30 CDAC CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@H]12)[C@H](C)O 256009188 WNDKUMUAOQFAGL-CAVOSLQRSA-N 297.395 1.092 0 30 CDAC N[C@@H]1CCC2(C[C@H]1OCc1ccccc1)OCCO2 37981085 BJBTZUJRKVTZDI-ZIAGYGMSSA-N 263.337 1.826 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)CCO2 91303584 PPGXPXOAIZQEKL-LLVKDONJSA-N 270.373 1.894 0 30 CDAC NC[C@H](CO)Cc1cc(Br)ccc1F 63065166 FXMFLRPYJWJVET-SSDOTTSWSA-N 262.122 1.698 0 30 CDAC COC(=O)[C@H](N)Cc1cc(F)c(F)c(F)c1F 44329303 XPNBUNIBPCJBGN-ZCFIWIBFSA-N 251.179 1.286 0 30 CDAC CN1CCN(c2ccc(N)c(OC(F)F)c2)CC1 675045552 KNAXUMBCKMZXGP-UHFFFAOYSA-N 257.284 1.622 0 30 CDAC COc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 5138635 IOMPMWRTYPIHRM-UHFFFAOYSA-N 269.282 1.066 0 30 CDAC COC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1O 15924218 PWHZCEQPFJIWDD-UHFFFAOYSA-N 271.635 1.552 0 30 CDAC CCc1nc2c(OC)c(OC)c(OC)cc2c(=O)[nH]1 45817691 COFXKEJFUBMHIO-UHFFFAOYSA-N 264.281 1.511 0 30 CDAC CO[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 102212687 GPNUVPVTXHBPJI-UNQZSWDGSA-N 274.313 1.029 0 30 CDAC O=C(O)C1(C(=O)O)Cc2ccc(Br)cc2C1 756957723 MXMKVOGCCCURKN-UHFFFAOYSA-N 285.093 1.703 0 30 CDAC C[C@H]1CN(c2ccc(N)cc2C(=O)O)C[C@@H](C)O1 139744 NVWAXHKIRNMEJB-DTORHVGOSA-N 250.298 1.581 0 30 CDAC CCOC(=O)c1cn(N)c2cc(Cl)c(F)cc2c1=O 33609926 QXKFZOWUCALDEX-UHFFFAOYSA-N 284.674 1.685 0 30 CDAC CC[C@]1(C)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O 3632067 WCHUHMTYPVCQKV-CYBMUJFWSA-N 296.348 1.014 0 30 CDAC O=C(O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1 52012637 DCNHBIIFRMKENY-NWDGAFQWSA-N 263.293 1.418 0 30 CDAC CC(C)(C)OC(=O)Cn1cnc2c(Cl)nc(N)nc21 136590274 ZRKRPDZEHCMYSH-UHFFFAOYSA-N 283.719 1.404 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(CSCC2=O)C1 2265385606 PZVGZLOMUVZVAR-GFCCVEGCSA-N 257.355 1.930 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](n2cc(N)cn2)[C@@H](F)C1 669371620 KQTNGQNVMJOMCS-QWRGUYRKSA-N 284.335 1.985 0 30 CDAC C[C@H](O)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O 19394034 ISZMSTLXGGJJCR-CDUCUWFYSA-N 292.118 1.557 0 30 CDAC COCc1cc(=O)n2nc(-c3cccs3)cc2[nH]1 100219453 BZJLOPMSCLFIEY-UHFFFAOYSA-N 261.306 1.898 0 30 CDAC COCCn1cc(I)cn1 70679491 TXNOAQSDMOFPHJ-UHFFFAOYSA-N 252.055 1.134 0 30 CDAC CCOC(=O)N1[C@H]2C[C@H](C)[C@@H](C2)N1C(=O)OCC 140705598 CLODWVRJBVVHQG-LPEHRKFASA-N 256.302 1.999 0 30 CDAC CC(=O)Nc1cc(C(=O)O)c(Cl)cc1S(=O)(=O)O 198662453 VEPOZWJTGLVFEU-UHFFFAOYSA-N 293.684 1.243 0 30 CDAC O=[S@@](c1ccc(Br)cc1)[C@@H]1CCNC1 218865840 MPAHNBYROKVVRL-YGRLFVJLSA-N 274.183 1.919 0 30 CDAC COCOC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 238339668 KPUCEMMBUYOIRS-QMMMGPOBSA-N 277.317 1.363 0 30 CDAC Cc1cc[nH]/c(=N\S(=O)(=O)c2ccc3c(c2)CCO3)c1 146218 SRQWIJVZGDNVNV-UHFFFAOYSA-N 290.344 1.548 0 30 CDAC Cn1c(=O)c2ccccc2n(NC(=O)OC(C)(C)C)c1=O 39326017 YKIPLECXXVNFDE-UHFFFAOYSA-N 291.307 1.179 0 30 CDAC CC(C)(C)OC(=O)NC[C@H](CO)Cc1ccncc1 98210228 AJIHEBVRKYZKRG-GFCCVEGCSA-N 266.341 1.757 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 238127823 XYLRDISIBZDXIN-LURQLKTLSA-N 257.286 1.142 0 30 CDAC O=C1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1O 14806338 VRTGGIJPIYOHGT-HUUCEWRRSA-N 272.256 1.775 0 30 CDAC endogenous,in-man O=C(O)/C=C\C(=O)NC1CCN(Cc2ccccc2)CC1 100207519 QHEBEUAYANOEKB-SREVYHEPSA-N 288.347 1.408 0 30 CDAC CCOC(=O)c1c(S)nc2c(c1C#N)CN(CC)CC2 45823864 ARSCRXHPOPKEOH-UHFFFAOYSA-N 291.376 1.797 0 30 CDAC O=C1CCCC(=O)N1c1ncc(Br)s1 37437584 DLWYVDALXIHYKQ-UHFFFAOYSA-N 275.127 1.949 0 30 CDAC in-vitro COC(=O)CSc1ncnc2cc(OC)c(OC)cc12 116406 LHQSEXDIVGZQTF-UHFFFAOYSA-N 294.332 1.912 0 30 CDAC O=C(O)c1cc(F)ncc1I 307327986 JZTABGNYAQWALS-UHFFFAOYSA-N 266.997 1.524 0 30 CDAC CN(C)c1ncc(Br)c2c1CNCC2 952876307 LXYVXNSEDYUNPD-UHFFFAOYSA-N 256.147 1.556 0 30 CDAC CN1C(=N)NC(=O)C1=Cc1ccc(Br)cc1 2265237899 KZEDNYGMGLDJIS-UHFFFAOYSA-N 280.125 1.786 0 30 CDAC CN(CC(=O)O)C1=NC(=CC=Cc2ccccc2)C(=O)N1 2265269947 WXRQCAQNFXMEMY-UHFFFAOYSA-N 285.303 1.086 0 30 CDAC Cc1ccc(F)cc1NC(=O)CSCC(=O)O 102597 GTPICDDQBIWMFO-UHFFFAOYSA-N 257.286 1.890 0 30 CDAC O=C1c2ccccc2NS(=O)(=O)N1Cc1ccccc1 147554 KJGZYYOOLJUWKX-UHFFFAOYSA-N 288.328 1.999 0 30 CDAC O[C@H]1[C@H]2[C@H]3C[C@H]4[C@H]2[C@H]2[C@H](O)[C@H]4[C@@H]3[C@@]12c1ccccc1 100400630 PJUGOTSDSWMOTQ-GSRYFHQRSA-N 254.329 1.418 0 30 CDAC CNC(=O)c1c(C)csc1NC(=O)C(F)(F)F 80627 MAVLSDNHEOJJBE-UHFFFAOYSA-N 266.244 1.917 0 30 CDAC Cn1c(C(=O)O)ccc1S(=O)(=O)N1CCCCCC1 119806 XOGNCJMRMANCGF-UHFFFAOYSA-N 286.353 1.288 0 30 CDAC COC[C@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 200278268 XHYGPWYEBIJNLR-KJPMQGKISA-N 274.313 1.029 0 30 CDAC Cc1cc(OC[C@@H]2CCCO2)ccc1S(N)(=O)=O 70042810 NBZITZKOYCHUDP-NSHDSACASA-N 271.338 1.200 0 30 CDAC in-vitro NS(=O)(=O)Cc1ccsc1Br 307312929 GWCODHMUDBHBKA-UHFFFAOYSA-N 256.146 1.299 0 30 CDAC O=C(c1ccccc1)c1nc(=O)n(-c2ccccc2)[nH]1 15443926 ZWQUGNYOWIGFKS-UHFFFAOYSA-N 265.272 1.792 0 30 CDAC CC(C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 22149462 OJQDZYUOVBSIJQ-LLVKDONJSA-N 251.282 1.160 0 30 CDAC C[C@@H]1CN(c2ccc(NC(=S)NN)cc2)C[C@@H](C)O1 172788 KAWDXZHLQDOTAW-NXEZZACHSA-N 280.397 1.460 0 30 CDAC COC(=O)NC[C@H](C)NC(=O)OCc1ccccc1 307106685 FBHKLWYPJIDNNY-JTQLQIEISA-N 266.297 1.657 0 30 CDAC Cc1cc2c(=O)c(C(=O)O)cn([C@@H](C)C(=O)O)c2s1 35570273 VDKMYZFUGQNTFY-LURJTMIESA-N 281.289 1.715 0 30 CDAC CC(C)N(C(=O)NC(=O)c1csnn1)C(C)C 106112 GSCPXSBTLZCTCL-UHFFFAOYSA-N 256.331 1.507 0 30 CDAC CC1=NN(C)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)[C@@H](C)C2=O 725712276 QPDYXEOREFSSFW-RTHLEPHNSA-N 295.339 1.029 0 30 CDAC COC(=O)c1[nH]cc(I)c1C 575432262 WWSLEFVPDMVRSW-UHFFFAOYSA-N 265.050 1.714 0 30 CDAC Cc1n[nH]c2cccc(B(O)OC(C)(C)C(C)(C)O)c12 605706580 WXXCBVJVXFYOJI-UHFFFAOYSA-N 276.145 1.125 0 30 CDAC COC(=O)C/C(C)=N/[C@@H](C(=O)O)c1ccc(O)cc1 5114018 WBDYOVQGUOOQFT-ZBQKXELDSA-N 265.265 1.542 0 30 CDAC CON=C[C@@H]1C(=O)C[C@@H]2c3ccccc3CCN2C1=O 254703453 DQZARWXLLYEZPO-CHWSQXEVSA-N 272.304 1.334 0 30 CDAC NC(=O)C1CCN(C(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100239465 MIHPGGMXKKSXKE-DLOVCJGASA-N 279.409 1.023 0 30 CDAC COC(=O)CCCOc1ccc(C=O)cc1OC 34435907 FJAKFRLDCQWYFJ-UHFFFAOYSA-N 252.266 1.840 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H](S(C)(=O)=O)C1 217028056 QVCHFSNORRFEHJ-VIFPVBQESA-N 263.359 1.431 0 30 CDAC Cn1ncc(S(=O)(=O)Cc2ccccc2)c(Cl)c1=O 92933 LREJBNBHJVKDJA-UHFFFAOYSA-N 298.751 1.408 0 30 CDAC Cc1nn(C)c2c1CN[C@H](COc1cccnc1)CO2 725712379 FHAKVSMUAGADJY-LLVKDONJSA-N 274.324 1.053 0 30 CDAC CC(=O)CCN1CCN(c2ccc(F)cc2)CC1 33506090 IVTQRSPPLVLOMK-UHFFFAOYSA-N 250.317 1.927 0 30 CDAC CCCCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O 38604531 DAZZOIFMRJXUJM-BDAKNGLRSA-N 260.286 1.515 0 30 CDAC O=C(NC[C@@H]1CCCN1)c1cc(Cl)c(Cl)[nH]1 53253179 PMWSITGJTCDSPD-LURJTMIESA-N 262.140 1.803 0 30 CDAC CC(C)(C)OC(=O)NC1CC2(C1)NCCN1CCC[C@H]12 306380573 QXOBQUYMASGEEB-AVERBVTBSA-N 281.400 1.480 0 30 CDAC COC(=O)CC[C@@H]1CC[C@H](CCC(=O)OC)C1=O 13468217 MARBNQWAIKUQLO-AOOOYVTPSA-N 256.298 1.488 0 30 CDAC C[C@H](CCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)O 96030608 UBBSLIBPXCFHDN-LURQLKTLSA-N 258.343 1.043 0 30 CDAC in-vitro N#CCc1ccc(NC(=O)c2nccnc2C(=O)O)cc1 148553 PGHUWSSXVKRLGO-UHFFFAOYSA-N 282.259 1.493 0 30 CDAC CC(C)(C)OC(=O)NCCc1ccnc(C(=O)O)n1 96947428 KVDXQKIIEKCXFK-UHFFFAOYSA-N 267.285 1.242 0 30 CDAC Cn1nc(Br)nc1I 950757331 UXONCJMEAZUTKB-UHFFFAOYSA-N 287.886 1.182 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCn2ncc(C(=O)O)c2C1 685947335 USNKTGNHTHJVML-QMMMGPOBSA-N 281.312 1.421 0 30 CDAC O=C1C=CC(=O)N1c1ccc(-c2csnn2)cc1 106665 VTOAPNZXNMTJLU-UHFFFAOYSA-N 257.274 1.635 0 30 CDAC CC(C)(C)OC(=O)[C@H](c1cccs1)[C@H](N)CC(=O)O 21301365 PVMIAQTVNIMMDR-KCJUWKMLSA-N 285.365 1.975 0 30 CDAC CC(C)(C)OC(=O)NCc1cc(CC(=O)O)ccn1 146400621 UNUOOSWWNKHLQO-UHFFFAOYSA-N 266.297 1.733 0 30 CDAC CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@@H]2N)CC1 258865287 CPAAPDJHETXHGX-NWDGAFQWSA-N 269.389 1.419 0 30 CDAC Cc1cc(C(=O)O)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)O 37795667 BDXHSHHSERDJSK-BDAKNGLRSA-N 263.249 1.352 0 30 CDAC O=C(O)[C@@H]1CC[C@H](O)CN1C(=O)OCc1ccccc1 14506112 CFRMMWFGNLWFMK-RYUDHWBXSA-N 279.292 1.233 0 30 CDAC CCOC(=O)c1cn2nc([C@H]3CCCNC3)sc2n1 953019282 HEWMIBVQVFUSIB-QMMMGPOBSA-N 280.353 1.435 0 30 CDAC COC(=O)C1=C(N2CCCC[C@@H]2C)CCN(C)C1 95741263 GYCZXBBYJOKHOU-NSHDSACASA-N 252.358 1.623 0 30 CDAC CS(=O)(=O)n1nccc1/C=C/c1cccs1 4323411 POSUYURHKRZXOM-SNAWJCMRSA-N 254.336 1.923 0 30 CDAC CS(=O)(=O)N[C@@H](c1ccc(C=O)cc1)C(F)(F)F 215674168 KOAXAFRYJKDXEP-VIFPVBQESA-N 281.255 1.652 0 30 CDAC CC1(C)O[C@H]2CCC3=C(CCN4C(=O)OC[C@@H]34)[C@H]2O1 199759587 FYZPSNFTNKYDPR-SDDRHHMPSA-N 265.309 1.821 0 30 CDAC COC(=O)c1cc(Br)c2c(C=O)n[nH]c2c1 14983004 HZPQUOCOSRXTMS-UHFFFAOYSA-N 283.081 1.925 0 30 CDAC COC(=O)C(=CN(C)C)NC(=O)c1cccc(Cl)c1 2265270067 KABGMCFJCTYAEU-UHFFFAOYSA-N 282.727 1.646 0 30 CDAC O=C(O)CNC(=O)c1cccnc1OCc1ccccc1 1854101 MLECTERVGANSQP-UHFFFAOYSA-N 286.287 1.475 0 30 CDAC O=c1c(Br)cncn1CC(F)(F)F 85463891 HVXKIJGRDMURAU-UHFFFAOYSA-N 257.009 1.568 0 30 CDAC NC1=N[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1 173758 HVZBMAKCDGCFLE-UONOGXRCSA-N 265.316 1.897 0 30 CDAC CC(C)(CCO)NC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2 100234523 BHQXQRWITRWDKM-DCAQKATOSA-N 254.399 1.576 0 30 CDAC CCOC(=O)CN1CCC[C@H]1C(=O)OC(C)(C)C 148949158 WIUJNTZZFLLMPY-JTQLQIEISA-N 257.330 1.356 0 30 CDAC CCOC(=O)c1cnc2nc(Br)nn2c1 261082714 BZXGXBYYIGDBFO-UHFFFAOYSA-N 271.074 1.064 0 30 CDAC CC(=O)N1CCCN(c2ccc(F)cc2N)CC1 42614780 LDDJAMLPWPLWDV-UHFFFAOYSA-N 251.305 1.467 0 30 CDAC in-vitro CSc1ccccc1N1C[C@@H](C(=O)O)CC1=O 112624 RMFCVUXXTMPICK-QMMMGPOBSA-N 251.307 1.846 0 30 CDAC COC(=O)[C@@H](C[C@H]1CCCNC1)NC(=O)OC(C)(C)C 145109184 MIHZSPDEBFBJHD-GHMZBOCLSA-N 286.372 1.442 0 30 CDAC CCOC(=O)c1cc(C(=O)O)n2cc(F)ccc12 953019258 PXHRVWRRDIGXKY-UHFFFAOYSA-N 251.213 1.953 0 30 CDAC COC(=O)[C@H]1CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 95930203 AFVJQNPGRDLPCM-DTWKUNHWSA-N 287.312 1.260 0 30 CDAC COCCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 8698519 VBSWFLDDFIIMGJ-LLVKDONJSA-N 258.362 1.622 0 30 CDAC CS(=O)(=O)c1cccc(Br)c1CC(=O)O 258555228 NTFKNQOYSKMKAM-UHFFFAOYSA-N 293.138 1.480 0 30 CDAC CSc1nc(N)n(-c2cc(C(F)(F)F)ccn2)n1 127282 KVVNXJNCEHFEEA-UHFFFAOYSA-N 275.259 1.985 0 30 CDAC CC1(C)O[C@@H]2C(Br)=C[C@H](F)[C@@H](O)[C@@H]2O1 2265352066 PBHOCJHNNWOKCJ-OSMVPFSASA-N 267.094 1.498 0 30 CDAC C[C@@H]1c2nnc(CO)n2CCN1C(=O)OC(C)(C)C 503853272 ZPXOVHJIHRNQHN-MRVPVSSYSA-N 268.317 1.082 0 30 CDAC COC(=O)NC[C@@H](C)NC(=O)OCc1ccccc1 306919652 FBHKLWYPJIDNNY-SNVBAGLBSA-N 266.297 1.657 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)O)[C@@H](C1)C2(F)F 409433569 SRXKXVDBUUMBPX-HQJQHLMTSA-N 277.267 1.963 0 30 CDAC CN1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CC1=O 888084760 OWMMMXDIMHSPEJ-ZDUSSCGKSA-N 254.330 1.476 0 30 CDAC c1cc2c(cc1[C@@H]1NN=C3C4CCN(CC4)[C@H]31)OCO2 20421364 OQPDZSYJAMIZHS-LSDHHAIUSA-N 271.320 1.510 0 30 CDAC COC[C@@]1(C)C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C 225253259 LRBXOOFTCQPISS-NOZJJQNGSA-N 273.329 1.733 0 30 CDAC O=C(O)c1cc(Br)c2c(c1)C(=O)NC2 306913101 OJCLWMXNHMOHOJ-UHFFFAOYSA-N 256.055 1.391 0 30 CDAC O=C(O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1 151540 JYVSAVPLPABMBS-UHFFFAOYSA-N 287.231 1.125 0 30 CDAC CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccn1 1036605 XWMUTYNLPOOVOV-LLVKDONJSA-N 261.281 1.273 0 30 CDAC Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1 5394462 WPBMVZDEHOCOKT-MNOVXSKESA-N 260.293 1.996 0 30 CDAC NC(=O)OCCCn1c(=O)[nH]c2cc(Cl)ccc21 33607468 YTVJAXFMGJKLOV-UHFFFAOYSA-N 269.688 1.468 0 30 CDAC CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)O)cn1 153551 YAAOLVANGBXKER-UHFFFAOYSA-N 299.286 1.991 0 30 CDAC CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cccnc1 33605354 MJXZBJCKDZKESQ-VHSXEESVSA-N 252.295 1.129 0 30 CDAC COC(=O)c1nccn2c(Br)ccc12 260824603 VRJMKMOSVHMZCD-UHFFFAOYSA-N 255.071 1.883 0 30 CDAC COc1ccc(N2C[S@](=O)C(=CN(C)C)C2=O)cc1 12861197 BIRFUJYKDDMUHP-LJQANCHMSA-N 280.349 1.151 0 30 CDAC CC[S@](=O)CC[C@H](Nc1ccccc1)C(=O)O 2265351807 UETZTCYIGYZMKO-GTNSWQLSSA-N 255.339 1.710 0 30 CDAC CN1C(=O)C[C@H](CN)[C@H]1c1cnn(-c2ccc(F)cc2)c1 407986686 BPZPKQNFDLXSES-BMIGLBTASA-N 288.326 1.490 0 30 CDAC N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2N)cc1 6093352 YUOZLSIYZUGXHG-UHFFFAOYSA-N 292.346 1.985 0 30 CDAC CC[C@@]1(N2CCC(C)CC2)C(=O)NC(=O)N(Cl)C1=O 255973455 GCBPCEVUVDSAPJ-GFCCVEGCSA-N 287.747 1.099 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CNc2ccccc2NC1=O 34571816 NETWMZIHMUWUMS-NSHDSACASA-N 277.324 1.944 0 30 CDAC OCC1(CO)CSC(Nc2ccc(F)cc2)=N1 102831 LYNRMQUJSNJVLH-UHFFFAOYSA-N 256.302 1.064 0 30 CDAC COC(=O)c1sccc1NC(=O)CC(=O)C(F)(F)F 3179845 MZUANQOXNYKOLG-UHFFFAOYSA-N 295.238 1.995 0 30 CDAC O=C(OCc1ccccc1)N1CCNC[C@@H](F)C1 220891395 SYCPOBHHSXNUFK-GFCCVEGCSA-N 252.289 1.567 0 30 CDAC CCOC(=O)[C@@H](O)Cc1cccc(Br)c1 76165030 IXKPQTQYUTZHPV-JTQLQIEISA-N 273.126 1.916 0 30 CDAC Nc1cc(C(=O)Nc2ccc(N)c(C(=O)O)c2)ccc1O 33608768 RGWHLIHIFDDLTL-UHFFFAOYSA-N 287.275 1.507 0 30 CDAC CN(C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 82345782 FHUBDEHTPCQZNQ-VIFPVBQESA-N 257.334 1.267 0 30 CDAC CC(C)(C)OC(=O)N1CC(N2CC[C@@H](C(=O)O)C2)C1 22014159 BRPUZBGXSLNYIG-SECBINFHSA-N 270.329 1.012 0 30 CDAC COC(=O)[C@H]1C(=O)C2(CC2)CN1C(=O)OC(C)(C)C 137318093 ZCBRJBQSVWURKE-MRVPVSSYSA-N 269.297 1.128 0 30 CDAC Cc1cc(=O)n(-c2ccc(Cl)cc2S(=O)(=O)O)[nH]1 146918698 JIYVIQYGTNRERB-UHFFFAOYSA-N 288.712 1.374 0 30 CDAC COc1ccc2c(c1)c(C[C@@H](N)C(=O)O)cn2C(C)=O 138253352 DMZPIZVTHWGXCO-GFCCVEGCSA-N 276.292 1.264 0 30 CDAC O=C(O)CC[C@@H]([C@H](CC(=O)O)c1ccccc1)[N+](=O)[O-] 90469696 GESPDRVBWUJHEY-MNOVXSKESA-N 281.264 1.755 0 30 CDAC NC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1 12970 LIAILJLSVRAGSM-UHFFFAOYSA-N 260.215 1.847 0 30 CDAC investigational Cc1c(Br)c(=O)n(-c2ccccc2)c(=O)n1C 3624391 ADTVPFMABWHJLN-UHFFFAOYSA-N 295.136 1.607 0 30 CDAC Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1O 39073102 XPXUYJQXKXMGAS-GHMZBOCLSA-N 250.298 1.008 0 30 CDAC COC(=O)C1=C(O)CCN(C(=O)OC(C)(C)C)C1 100276727 BCRHDQLAGGOFGY-UHFFFAOYSA-N 257.286 1.612 0 30 CDAC N[C@H](CC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O 60219768 CQLSOTAGCGJASP-MRVPVSSYSA-N 261.199 1.690 0 30 CDAC NCCNS(=O)(=O)c1cccc(Cl)c1Cl 36286566 XEHRRFDWVCBJGQ-UHFFFAOYSA-N 269.153 1.230 0 30 CDAC in-vitro Cc1cc(Br)ccc1NC(=N)NC(=N)N 73409 OWNFQZKEWYFEJG-UHFFFAOYSA-N 270.134 1.587 0 30 CDAC CC(C)NC(=O)c1scc(S(C)(=O)=O)c1Cl 96304 DWPPEODAZJBAQR-UHFFFAOYSA-N 281.786 1.943 0 30 CDAC O=C1C=C(c2ccc(Br)cc2)S(=O)(=O)N1 39627328 HQOMNUKOEPOYLD-UHFFFAOYSA-N 288.122 1.250 0 30 CDAC CCCSC[C@@]1(CC)C(=O)NC(=O)N(C)C1=O 5648451 YXKNPCROSWNCTJ-NSHDSACASA-N 258.343 1.234 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@@H]2OCC[C@@H]21 309710092 IXRUMBAPWZUQAD-UTLUCORTSA-N 271.313 1.486 0 30 CDAC CC(C)(C)OC(=O)N1CCc2cc(=O)[nH]cc2C1 95774282 PUQPFTREWSPZRE-UHFFFAOYSA-N 250.298 1.668 0 30 CDAC COc1cc(O)ccc1CCNC(=O)C(F)(F)F 32175922 ZASDBGSNLIDDTP-UHFFFAOYSA-N 263.215 1.622 0 30 CDAC CCCOC(=O)[C@H]1c2ccc(O)cc2[C@H](O)CN1C 31880988 UYQLMPDQOLGGOL-CHWSQXEVSA-N 265.309 1.365 0 30 CDAC CC(C)CC1(c2ccccc2)C(=O)NC(=O)NC1=O 5441979 VTLDIXMCNYQGMF-UHFFFAOYSA-N 260.293 1.337 0 30 CDAC NCCc1nc2ccccc2n1CCc1ccncn1 2265385569 MCSOCYFQAYFYGP-UHFFFAOYSA-N 267.336 1.570 0 30 CDAC CNC(=S)NCc1ccc(-c2csnn2)cc1 106467 KQKXOBCDPFPSBC-UHFFFAOYSA-N 264.379 1.799 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@]2(CCOC2)C1 585164664 DGWCZFNRYUVTEX-NOZJJQNGSA-N 271.313 1.345 0 30 CDAC CC1=C(C(=O)Nc2ccccc2)[S@](=O)CCO1 8536277 UZXIHLNNJNITMJ-KRWDZBQOSA-N 251.307 1.636 0 30 CDAC COC(=O)C[C@H](N)Cc1cccc(Br)c1 308765196 NTEMJOUADGXPOM-SNVBAGLBSA-N 272.142 1.882 0 30 CDAC CS(=O)(=O)c1cccc(Br)c1F 75915375 KUFSPHSKMPOPCE-UHFFFAOYSA-N 253.092 1.992 0 30 CDAC O=C(O)[C@H]1CC2(COC(c3ccccc3)OC2)[C@H]1C(=O)O 136572 QNLIMAVCEHFZOL-VWXOLTIFSA-N 292.287 1.524 0 30 CDAC CNc1nc(N2CCNCC2)nc2scc(C)c12 6072121 JIZGLWMXPOCVEF-UHFFFAOYSA-N 263.370 1.451 0 30 CDAC O=C(O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2O)c1 52012635 DCNHBIIFRMKENY-VXGBXAGGSA-N 263.293 1.418 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 83242822 QBSCLEPVLRCPHJ-OTYXRUKQSA-N 297.355 1.232 0 30 CDAC Nc1cc(-c2n[nH]c(CO)n2)ccc1Br 2265385340 LDRNFJOCODMEFV-UHFFFAOYSA-N 269.102 1.309 0 30 CDAC CC(=O)Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1 86704 BFFVGQBYGKVGSL-GHMZBOCLSA-N 267.306 1.400 0 30 CDAC COCCOC(=O)CCNc1cc(N)ccc1OC 5141087 AZQGFJYXVUIQEN-UHFFFAOYSA-N 268.313 1.269 0 30 CDAC COc1cccc(C(=O)N2CCOC[C@H]2C)c1N 88650969 CUVVWADWXQTDLR-SECBINFHSA-N 250.298 1.138 0 30 CDAC in-vitro CCOC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)cc1 2021755 AXIFAUVPXCABHW-ZDUSSCGKSA-N 296.367 1.993 0 30 CDAC COC(=O)NCCC1=CCC[C@@H]2OC(C)(C)O[C@H]12 2265351895 MCBOQPRQZIVNQN-WDEREUQCSA-N 255.314 1.973 0 30 CDAC CC[C@]1(N2CCC(C)CC2)C(=O)NC(=O)N(Cl)C1=O 255973456 GCBPCEVUVDSAPJ-LBPRGKRZSA-N 287.747 1.099 0 30 CDAC COc1cc(/C=C(\NC(C)=O)C(=O)O)cc(OC)c1OC 12368981 GYSVZYOQLKZIHA-YHYXMXQVSA-N 295.291 1.274 0 30 CDAC COc1cccc(OC)c1[C@](C)(O)C(OC)OC 142962 KKCCWHWMQJWBEF-ZDUSSCGKSA-N 256.298 1.530 0 30 CDAC CCCC(=O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCC)C1 38642895 XRFHWHZZTBJRTA-ZJUUUORDSA-N 271.313 1.184 0 30 CDAC NNC(=O)CC=NOCc1ccc(Cl)cc1Cl 4073323 IEEURBSZZPQMST-UHFFFAOYSA-N 276.123 1.876 0 30 CDAC c1nc(NCCCN2CCOCC2)c2sccc2n1 20421461 PYKCGGJWCLOVQR-UHFFFAOYSA-N 278.381 1.826 0 30 CDAC COC(=O)c1[nH]c2cscc2c(=O)c1C(=O)OC 100236180 FBAWMDJIXFQRSZ-UHFFFAOYSA-N 267.262 1.163 0 30 CDAC O=C1O[C@]2(O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)N2c2ccccc21 100394485 MPIWVHGDHYEIMI-RIICGHOCSA-N 283.283 1.288 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc(Cl)c(F)cc1F 203699788 RGRHXYYXBQEKOX-UHFFFAOYSA-N 292.518 1.872 0 30 CDAC CC(=O)O[C@]1(C)COc2ccccc2O[C@@H]1C(=O)O 39123595 REEJLJYZXAOKNI-DGCLKSJQSA-N 266.249 1.233 0 30 CDAC CCOc1nc(C)ncc1C(=O)NC[C@@H]1CCCN1CC 33866709 DWYQHWWSJRBABU-LBPRGKRZSA-N 292.383 1.398 0 30 CDAC Nc1ccc(N2CCN(c3ccccn3)CC2)cn1 19868667 QDBOYIZCXUSXHT-UHFFFAOYSA-N 255.325 1.385 0 30 CDAC CCN(CC)CNCn1cnc2ccccc2c1=O 33868810 ZGAWAZZYJLEYBL-UHFFFAOYSA-N 260.341 1.243 0 30 CDAC CCn1cc(C(=O)O)c(=O)c2cc(OC)c(O)cc21 111865143 ISLQOPMMYRNQEI-UHFFFAOYSA-N 263.249 1.434 0 30 CDAC O=S1(=O)NCCOc2ccc(Br)cc21 114522773 LASIMURTOVOHMC-UHFFFAOYSA-N 278.127 1.120 0 30 CDAC COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)N2 95644319 GLTXOTSBWAISRB-FGWVZKOKSA-N 284.356 1.147 0 30 CDAC Cc1ccc(S(=O)(=O)NC(=O)N2CCCCC2)cc1 110304 FYVHAKAGHNHBOE-UHFFFAOYSA-N 282.365 1.879 0 30 CDAC Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1 6609966 KNZWBHGWTXXRTB-UHFFFAOYSA-N 273.317 1.856 0 30 CDAC CC(C)(C)OC(=O)N1CCNC[C@H]1CC(F)F 218024498 XKDVKJDYVHTEPG-MRVPVSSYSA-N 250.289 1.851 0 30 CDAC CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 48645417 LLCLPVWQQMAGEF-UHFFFAOYSA-N 257.334 1.269 0 30 CDAC CCOC(=O)CCN(CCC(=O)OCC)C(=O)OCC 38635475 DOSKWSBUTUXZAA-UHFFFAOYSA-N 289.328 1.351 0 30 CDAC O[C@H](CN1CCCC1)Cn1ccc(C(F)(F)F)n1 117335 BITXQCCVUCXHRC-SECBINFHSA-N 263.263 1.359 0 30 CDAC CC[C@@H]1CN(c2ncnc3ccc(N)cc23)CCO1 81590512 ILPHPIWIGORPKK-LLVKDONJSA-N 258.325 1.827 0 30 CDAC CCOC(=O)[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 91303155 RLBZVNJGAHTMMY-QJPTWQEYSA-N 299.367 1.964 0 30 CDAC CC(C)(C)OC(=O)NC[C@H]1CNC[C@@H]1C(F)(F)F 143855487 GWYXCNXINAWWBV-SFYZADRCSA-N 268.279 1.909 0 30 CDAC C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)O)O1 309837000 UVZFNQFMVKGKKE-RKDXNWHRSA-N 259.302 1.486 0 30 CDAC CCC(=O)Nc1ccc(OS(=O)(=O)N(C)C)cc1 1756497 HGHCQSNDQZYDCB-UHFFFAOYSA-N 272.326 1.220 0 30 CDAC CC(C)(C)OC(=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 238088288 IBCHBLCQVBQVQH-UHFFFAOYSA-N 292.295 1.201 0 30 CDAC NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccc(F)c(F)c1 95347724 NEOPBLGLWMZELZ-RNCFNFMXSA-N 280.274 1.502 0 30 CDAC CC(=O)N(C=C(Cl)Cl)[C@@H](CS)C(=O)O 146121386 GVJRVRHITUDLRO-YFKPBYRVSA-N 258.126 1.494 0 30 CDAC CCOc1ccc(CC(=O)N2[C@H]3CC[C@@H]2CN(C)C3)cc1 145596139 NCMUVFNOLAHEQA-GASCZTMLSA-N 288.391 1.933 0 30 CDAC CC(C)(C)OC(=O)N[C@H](CCC1OCCO1)C(=O)O 584883316 PLVSNGIMTVWWNF-MRVPVSSYSA-N 275.301 1.117 0 30 CDAC CC(C)(C)OC(=O)Cn1ccnc1Br 919861119 ZOSLMDGRTQJLAD-UHFFFAOYSA-N 261.119 1.987 0 30 CDAC Cc1ncc(CSc2nccc(O)n2)c(CO)c1O 8572645 TYEPSBHUPVRWHA-UHFFFAOYSA-N 279.321 1.376 0 30 CDAC O=C1CCc2cc(C3=NNC(=O)[C@@H]4C[C@H]34)ccc2N1 38174811 LYGJKDQCOGHYOE-VHSXEESVSA-N 255.277 1.041 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]2COC[C@H]21 250596408 RNTRNNBGRJLACJ-LPEHRKFASA-N 271.313 1.343 0 30 CDAC COC(=O)c1ccc2nc(Br)c(N)n2c1 260156475 OKHQYVULIBZDIL-UHFFFAOYSA-N 270.086 1.466 0 30 CDAC CC(C)(C)OC(=O)NCc1cn(C2CCNCC2)nn1 699150013 YTCTZXKASQQPEL-UHFFFAOYSA-N 281.360 1.227 0 30 CDAC N=Cn1nnc2c(-n3nnc4ccccc43)cccc21 2265362102 JFJISDHXZGKIAS-UHFFFAOYSA-N 263.264 1.620 0 30 CDAC C[C@@H]1CNCC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 503822130 WEHHGDMMOQMIKQ-ZLDLUXBVSA-N 275.352 1.567 0 30 CDAC Cc1nc(N)nc(COc2ccccc2Cl)n1 3046163 OYAIHYJWUKISBZ-UHFFFAOYSA-N 250.689 1.995 0 30 CDAC CC(C)(C)OC(=O)N1CC(O[C@H]2CCCNC2)C1 716271593 XYUPMDADEUSPKW-JTQLQIEISA-N 256.346 1.374 0 30 CDAC COC(=O)c1sccc1N1C(=O)C=C(C)C1=O 81925 HTROWZXFNILLLT-UHFFFAOYSA-N 251.263 1.354 0 30 CDAC O=C(NC1CC1)OC[C@H](O)[C@@H]1COc2ccccc2O1 3634995 VCFPGQUWJMMYKA-GWCFXTLKSA-N 279.292 1.076 0 30 CDAC CCOC(=O)NC(=O)C(C#N)=NNc1cccc(Cl)c1 254847055 SQHROYQWWZYWAP-UHFFFAOYSA-N 294.698 1.904 0 30 CDAC O=C(O)Cc1nc2ccccn2c1Br 211453818 WZTBSXRWBVDFRR-UHFFFAOYSA-N 255.071 1.724 0 30 CDAC O=C(O)COCC(=O)Nc1ccc(OC(F)F)cc1 156463 SOSZKUQNGAZUCO-UHFFFAOYSA-N 275.207 1.328 0 30 CDAC COc1ccc(C(C(C)=O)C(C)=O)c(C(=O)O)c1 20412998 XMCCHTQOKIKASX-UHFFFAOYSA-N 250.250 1.655 0 30 CDAC O=C(O)c1ccccc1C(=O)OC[C@@H]1CCCO1 38613321 UVTWTSOAOYEVAL-VIFPVBQESA-N 250.250 1.721 0 30 CDAC CC[C@H](C)C1(CC=C(C)C)C(=O)NC(=O)NC1=O 1997493 QVSDEDYPNZQZAM-VIFPVBQESA-N 252.314 1.741 0 30 CDAC COc1nc(C)c(I)c(OC)n1 34156673 MNHCZKPPXAZXED-UHFFFAOYSA-N 280.065 1.407 0 30 CDAC CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccncc1 95752340 TWCPGLSBSIYETC-GFCCVEGCSA-N 263.341 1.963 0 30 CDAC COc1cc(B(O)OC(C)(C)C(C)(C)O)c(F)cc1F 200320070 YVIKWODGFVQKPV-UHFFFAOYSA-N 288.099 1.227 0 30 CDAC Cc1ccc(C[C@H](CN)CO)cc1Br 107496825 FYWBDJKLELUPOO-SNVBAGLBSA-N 258.159 1.867 0 30 CDAC CCNC(C)(C)C(=O)NC[C@H](CC(=O)O)CC(C)C 88272928 DFZDUKKDKKMEEC-NSHDSACASA-N 272.389 1.628 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@H](n2cnc(C(=O)O)n2)C1 98095513 QIRVICXJJYXUEN-SECBINFHSA-N 296.327 1.548 0 30 CDAC O=C1NCCN[C@@H]1c1ccccc1Br 51924978 MUQXZTVVAQKOSH-SECBINFHSA-N 255.115 1.210 0 30 CDAC Cc1ccc(CNC(=O)[C@@H](CCO)C2(C)OCCO2)cc1 33900443 OYFSXHIBKCTARJ-CQSZACIVSA-N 293.363 1.373 0 30 CDAC O=C(O)C[C@H]1CC1(Br)Br 219365163 GPNYJFADKZHDNQ-VKHMYHEASA-N 257.909 1.967 0 30 CDAC CS(=O)(=O)NCc1ccc(Br)cc1 42418718 OYQXEMVZGHIXBJ-UHFFFAOYSA-N 264.144 1.498 0 30 CDAC COC(=O)c1cc(C)n2ncc(Br)c2n1 96320945 MNMVMQXBDHCZPZ-UHFFFAOYSA-N 270.086 1.587 0 30 CDAC Cc1cc(Cl)c2cccc(S(N)(=O)=O)c2n1 147641769 ZPOMTELIEJLKBS-UHFFFAOYSA-N 256.714 1.844 0 30 CDAC CN1CC(=O)N2C(=O)C(=CC=Cc3ccccc3)N=C12 2265276352 AHESAZOCYYCQCH-UHFFFAOYSA-N 267.288 1.254 0 30 CDAC CN(C)C=NNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1 13138495 QAJPPKBSMPMNAD-OAHLLOKOSA-N 283.331 1.764 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H]2OCC[C@H]21 605706431 BAQYPCKNWNNICY-OPRDCNLKSA-N 271.313 1.486 0 30 CDAC N[C@H](Cc1ccccn1)[C@H]1COc2ccccc2O1 88530997 XECVDHNODJITAV-IUODEOHRSA-N 256.305 1.791 0 30 CDAC in-vitro Cc1cc(OC(=O)N(C)C)nc(N2CCCC2)n1 73595 CKRVKBGSKITKQZ-UHFFFAOYSA-N 250.302 1.446 0 30 CDAC O=C1C=C(N(CCCl)CCCl)C(=O)C=C1Cl 1558104 MSHUKKIAVAFRSS-UHFFFAOYSA-N 282.554 1.924 0 30 CDAC CCOC(=O)c1nc2ccc(Cl)cc2c(=O)[nH]1 114404631 CJQDJIANPJTXRZ-UHFFFAOYSA-N 252.657 1.753 0 30 CDAC CC(C)NC[C@H](O)COc1ccc(CCC(=O)O)cc1 5760456 ILSCWPMGTDPATI-ZDUSSCGKSA-N 281.352 1.442 0 30 CDAC in-vitro CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]1CCCOC1 69551115 GPJZIGYETVHTQK-ZJUUUORDSA-N 273.329 1.733 0 30 CDAC NC(=S)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 71790353 RPVABHATHZCRFF-NSHDSACASA-N 280.349 1.310 0 30 CDAC in-vitro C=C(C)C(=O)OCCOC(=O)[C@@H]1CCCC[C@]1(C)C(=O)O 142052301 PZYDJJGYMJPKPS-NHYWBVRUSA-N 298.335 1.930 0 30 CDAC O=C(O)c1cnn2cccc(I)c12 307623006 DJUKASJLVBQFOI-UHFFFAOYSA-N 288.044 1.637 0 30 CDAC CCOC(=O)CC(=O)CN(C)C(=O)OC(C)(C)C 38862426 GCAUMVLEDUTKIP-UHFFFAOYSA-N 259.302 1.376 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CN)C2)C1 238127544 SKJDWIYFGRYNMX-MFKMUULPSA-N 256.346 1.361 0 30 CDAC CON(C)S(=O)(=O)c1ccc(Br)cc1 40418761 LBEJPWZHDYWEFI-UHFFFAOYSA-N 280.143 1.631 0 30 CDAC in-vitro COc1ccc(-c2nc(-c3ccncc3)nc(=O)[nH]2)cc1 172758 XECBUTJCHDIUBS-UHFFFAOYSA-N 280.287 1.903 0 30 CDAC COc1cccc(C(=O)OCCN(C)C)c1OC 5957913 OFNAWPNFBBLFBE-UHFFFAOYSA-N 253.298 1.422 0 30 CDAC C[C@@H]1COCCN1c1cc(C[S@@](C)=O)nc(Cl)n1 143891199 DXOHBFLOMTVYNW-CVJBHZAOSA-N 289.788 1.234 0 30 CDAC O=C(O)[C@H]1Cc2ccc(Br)cc2CN1 82314919 MRRCQSLPXUIPDE-SECBINFHSA-N 256.099 1.548 0 30 CDAC O=C1NC(=O)[C@@]2(CCc3cc(Br)ccc32)O1 584648660 QGXOQPVPPXLVDX-NSHDSACASA-N 282.093 1.857 0 30 CDAC CC(C)O[C@H]1OC(=O)[C@@H]2OC3(CCCCC3)O[C@H]12 65740265 JHDMODSTNDJTBT-SCVCMEIPSA-N 256.298 1.739 0 30 CDAC in-vitro O=C(O)[C@@H]1SCCN1C(=O)c1ccc(Cl)cc1 150107 FQGHSDUCZGIUPQ-JTQLQIEISA-N 271.725 1.940 0 30 CDAC Cc1noc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 100237658 VJBJOAMLWIPBSG-XWLWVQCSSA-N 258.277 1.603 0 30 CDAC Cc1snnc1C(=O)NC(=S)Nc1ccccc1 139010 KIEPWQSLXDTDTP-UHFFFAOYSA-N 278.362 1.973 0 30 CDAC CCOC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 106936121 YWIJPIAJDBKDMG-JTQLQIEISA-N 272.345 1.149 0 30 CDAC CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(N)=O 116659932 XNKSZOUDECZPNR-LLVKDONJSA-N 264.325 1.813 0 30 CDAC C[C@]1(C(=O)O)CSC(c2cc(O)cc(O)c2)=N1 136534237 WWRAANKZMWZSOG-LLVKDONJSA-N 253.279 1.435 0 30 CDAC O=C(O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 100546540 YMNPXOWZYMQCPR-ZETCQYMHSA-N 270.082 1.960 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)c1cncn1C 90168679 LXDLKLWLACWYJW-VIFPVBQESA-N 269.301 1.413 0 30 CDAC N[C@@H]1CCC2(C[C@@H]1OCc1ccccc1)OCCO2 37981086 BJBTZUJRKVTZDI-KGLIPLIRSA-N 263.337 1.826 0 30 CDAC CC(C)(C)OC(=O)NCc1cnc(C(=O)O)cn1 238178141 FHXFXPUWUPCDGA-UHFFFAOYSA-N 253.258 1.200 0 30 CDAC CCOC(=O)c1c(C)nn(C)c1N[C@H]1CCCC[C@@H]1N 725712425 STISHIYTJGMPFK-QWRGUYRKSA-N 280.372 1.587 0 30 CDAC N=C1NS(=O)(=O)c2ccc(C(F)(F)F)cc21 2265385649 WTCISNWFWYNDJJ-UHFFFAOYSA-N 250.201 1.323 0 30 CDAC CC[C@H]1CN1c1nc(N2C[C@@H]2CC)nc(N2C[C@H]2CC)n1 95864147 JMDOEUVPOVHBNU-FLTVVOSZSA-N 288.399 1.667 0 30 CDAC C[C@H]1Cn2nc(C(=O)O)cc2CN1C(=O)OC(C)(C)C 328579415 GYMAJGGRYWVXFX-QMMMGPOBSA-N 281.312 1.721 0 30 CDAC CN1CC[C@]2(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@H]2C1 238337946 AVDWTKDBNVNJGB-HZMBPMFUSA-N 284.356 1.260 0 30 CDAC CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1N 260710274 JNULORTZABIGPU-WDEREUQCSA-N 286.372 1.524 0 30 CDAC CC(=O)Oc1cc2c(cc1OC(C)=O)C[C@H](N)CC2 5166812 WZSCMINJNIXGKD-GFCCVEGCSA-N 263.293 1.353 0 30 CDAC CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccncc1 95752342 TWCPGLSBSIYETC-LBPRGKRZSA-N 263.341 1.963 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H](CS(C)(=O)=O)C1 140124791 DRZYQQYXAHBTKU-JTQLQIEISA-N 277.386 1.678 0 30 CDAC CNC(=O)c1ccc(-c2ccc3c(c2)[C@H](N)C(=O)N3)cc1 536555927 BDVOITIQHODERW-AWEZNQCLSA-N 281.315 1.665 0 30 CDAC COC(=O)c1cnc2c(Br)n[nH]c2c1 96321071 NAYWRQVHZWWJKK-UHFFFAOYSA-N 256.059 1.507 0 30 CDAC O[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@]1(c1ccccc1)[C@@H]([C@@H]24)[C@@H]5O 247743987 PJUGOTSDSWMOTQ-ZMGWYIEDSA-N 254.329 1.418 0 30 CDAC O=C(O)CSCC(=O)N1CCC(n2cccc2)CC1 118248 OWFPDGIVXUEYDC-UHFFFAOYSA-N 282.365 1.469 0 30 CDAC Cc1nnsc1C(=O)NC[C@H]1COc2ccccc2O1 4334819 HDCHEGMLVUGGBA-VIFPVBQESA-N 291.332 1.416 0 30 CDAC CC(C)(C)OC(=O)NC[C@]1(C2CCOCC2)CCNC1 381908487 JNFWOYYSGOIYRI-HNNXBMFYSA-N 284.400 1.917 0 30 CDAC Cc1ccc(N2CS(=O)(=O)C(=CN(C)C)C2=O)cc1 1391019 BSQIADCBLJDKBB-UHFFFAOYSA-N 280.349 1.117 0 30 CDAC CC(C)(O)[C@@H](O)Cc1cc2ccc(=O)oc2cc1O 14650278 WRTWKAQFZYXAEJ-LBPRGKRZSA-N 264.277 1.173 0 30 CDAC biogenic CN(C)C1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 4106400 AWHKHXZSUJGOQR-UHFFFAOYSA-N 276.317 1.947 0 30 CDAC O=C(O)C[C@@H]1CC1(Br)Br 219366378 GPNYJFADKZHDNQ-GSVOUGTGSA-N 257.909 1.967 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H](n2cnc(C(=O)O)n2)C1 98095512 QIRVICXJJYXUEN-VIFPVBQESA-N 296.327 1.548 0 30 CDAC COC(=O)C1=C(NNc2ccccc2)CSC1 149075 CDGFIZHEIPPAOJ-UHFFFAOYSA-N 250.323 1.777 0 30 CDAC CC(C)[C@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2040315 AXXCGIMLMVLZKI-JTQLQIEISA-N 252.314 1.670 0 30 CDAC CO[C@H]1O[C@@H](C)[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OC 306121266 DNQLPGZLKBRKSP-MQFWEAQZSA-N 282.336 1.339 0 30 CDAC CS(=O)(=O)Oc1ccc(Br)nc1 125203725 CCFIMDAYHWFHHA-UHFFFAOYSA-N 252.089 1.183 0 30 CDAC COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 141499939 GPRQZXMNJPBEMW-SECBINFHSA-N 271.313 1.376 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)OCCC[C@H]2N 238153085 DONMCNLMGQKHKK-LLVKDONJSA-N 270.373 1.894 0 30 CDAC COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2N 260580393 WZOSRKHNPAKZFS-WSVSKBAQSA-N 298.383 1.380 0 30 CDAC CC(=O)Oc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1 86707 BFFVGQBYGKVGSL-QWRGUYRKSA-N 267.306 1.400 0 30 CDAC O=C(O)CC(CC(=O)O)NC(=O)OCc1ccccc1 2576296 OOVBMZPOXNHDCH-UHFFFAOYSA-N 281.264 1.231 0 30 CDAC CC[C@@H](CO)NC(=S)Nc1ccsc1C(=O)OC 117164 NYNPVKPLEDLSMP-ZETCQYMHSA-N 288.394 1.592 0 30 CDAC N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(F)c(F)c2)S1 4377021 GACQBNFIHDWVGY-MRVPVSSYSA-N 285.275 1.460 0 30 CDAC COc1cc(Br)cc2c1OCCNC2 307388354 GZIIZYWSSQHVQA-UHFFFAOYSA-N 258.115 1.940 0 30 CDAC COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1ccccc1)C2 369535762 CFAPQZNQOQEUMG-GOEBONIOSA-N 275.348 1.698 0 30 CDAC CC(=O)N[C@@H]1CCO[C@@H](c2c(C)nn(C)c2Cl)C1 585662358 WOYIPVCGTUEORG-NXEZZACHSA-N 271.748 1.738 0 30 CDAC Cc1nn(-c2ccccc2)c2nc(N)c(C(N)=O)cc12 19924913 FTCRBMKEFJIWRX-UHFFFAOYSA-N 267.292 1.410 0 30 CDAC CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)O)C1 214860779 BEBCEUHYFOZHBR-QPUJVOFHSA-N 259.302 1.486 0 30 CDAC CC[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CCN1 66351916 YRZJZDZGHUPFTL-GFCCVEGCSA-N 258.318 1.060 0 30 CDAC NCc1noc(-c2cccc(Br)c2)n1 41052115 IQDIVENSCQOYIY-UHFFFAOYSA-N 254.087 1.958 0 30 CDAC O=[S@](c1ccc(Br)cc1)[C@@H]1CCNC1 218865788 MPAHNBYROKVVRL-QMTHXVAHSA-N 274.183 1.919 0 30 CDAC CC(C)(C)OC(=O)N1CCN(CCCCO)CC1 49847274 WXMAGSGGBIUCBY-UHFFFAOYSA-N 258.362 1.312 0 30 CDAC CCCCC[C@H]([C@H](CCO)CC(=O)O)N1C=NCC1 585138849 OPKMDTROCAVYII-CHWSQXEVSA-N 270.373 1.753 0 30 CDAC COc1cccc(Cl)c1-c1nc(N)nc(N)n1 73861 SGPZWWGYHVUWTL-UHFFFAOYSA-N 251.677 1.365 0 30 CDAC O=C1CSCC(=O)N1c1ccccc1N1CCOCC1 153645 QHETZUODUHVKQS-UHFFFAOYSA-N 292.360 1.130 0 30 CDAC CCOC(=O)C(C#N)=CN1CCN(c2ccccc2)CC1 34914627 KJTUYOYLMCYYND-UHFFFAOYSA-N 285.347 1.779 0 30 CDAC C[C@H]1c2ncc(CCO)n2CCN1C(=O)OC(C)(C)C 396152600 BFRHWKPDXHJGIX-JTQLQIEISA-N 281.356 1.730 0 30 CDAC COC(=O)[C@@H](N[C@@H](C(=O)NC(C)(C)C)C(C)C)C(C)C 45235616 BRVFFCZPWQQGLC-NEPJUHHUSA-N 286.416 1.713 0 30 CDAC CCOC(=O)/C=C\C1CN(C(=O)OC(C)(C)C)C1 199540963 MCCBAJUVDBBRKP-SREVYHEPSA-N 255.314 1.973 0 30 CDAC Fc1cnc2c(I)cnn2c1 238550857 UBOYYBPUOFRMPK-UHFFFAOYSA-N 263.013 1.473 0 30 CDAC CC(C)(C)OC(=O)[C@@]1(C(=O)O)CCCC[C@H]1CN 1081110495 VUXVGAZURQOEIT-ZANVPECISA-N 257.330 1.548 0 30 CDAC CN(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 888084708 DXKJTABNOQSBTK-QWRGUYRKSA-N 258.362 1.166 0 30 CDAC CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCCNCC1 98113861 UZOZWSPAGXEPQH-LBPRGKRZSA-N 270.373 1.319 0 30 CDAC CSC1=NS(=O)(=O)c2c(C)nn(C)c2S1 1024094 KEFXWJITMPPIKH-UHFFFAOYSA-N 263.369 1.242 0 30 CDAC CCOC(=O)[C@H](C)S(=O)(=O)c1ccc(C)cc1 34523224 WYELDSBLILVIST-JTQLQIEISA-N 256.323 1.720 0 30 CDAC O=C(O)[C@@H]1CC[C@H]1C(=O)Nc1nnc(C2CC2)s1 147217 JYGYOCODSZVOAV-RNFRBKRXSA-N 267.310 1.465 0 30 CDAC CN1C(=O)[C@H](O)[C@@H](c2ccccc2)[C@H]1[C@H](O)c1ccccc1 5967137 WGYGSZOQGYRGIP-MWDXBVQZSA-N 297.354 1.705 0 30 CDAC endogenous,in-man [N-]=[N+]=Nc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 139068522 JVVGPGVAUOFYCM-SECBINFHSA-N 299.246 1.030 0 30 CDAC NC(=O)c1cncn1-c1ccc(Cl)nc1Cl 95751868 WJCGENLNODJFTL-UHFFFAOYSA-N 257.080 1.673 0 30 CDAC COC(=O)CNC1CCN(Cc2ccccc2)CC1 19885223 KNQCEHBMVOZAFL-UHFFFAOYSA-N 262.353 1.414 0 30 CDAC CS(=O)(=O)N1CCCCC[C@H]1C1CCNCC1 68589844 QOPLSPCNCCZYOD-LBPRGKRZSA-N 260.403 1.190 0 30 CDAC O=C1NCCC[C@H]1c1nnc(S)n1Cc1ccccc1 66953 YRUUNGGUALOBJO-NSHDSACASA-N 288.376 1.609 0 30 CDAC CN(C)C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1 33609051 UTVSYBBRNINNRF-NSHDSACASA-N 294.738 1.559 0 30 CDAC CC(C)(C)OC(=O)N1CCN[C@H](CCC(=O)O)C1 211957477 PBLSCSQJRNLMLQ-SECBINFHSA-N 258.318 1.060 0 30 CDAC CCOC(=O)COc1cc(C(=O)OC)c2ccccc2n1 498050471 BFDDYZMQMWSTST-UHFFFAOYSA-N 289.287 1.963 0 30 CDAC CCOC(=O)c1cnc2n1CC(Br)=CO2 91693044 VNWMXLZAJIVJHR-UHFFFAOYSA-N 273.086 1.689 0 30 CDAC O=C(O)c1nnc(-c2cccc(Br)c2)[nH]1 95642135 SSCDZBWPRJKEHN-UHFFFAOYSA-N 268.070 1.932 0 30 CDAC O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)CC1 19487535 SUAQJCFICUVEAV-UHFFFAOYSA-N 252.657 1.907 0 30 CDAC COCCN1C(=O)C(=O)c2cc(Br)ccc21 19966844 CYLDYVMECLCGPP-UHFFFAOYSA-N 284.109 1.625 0 30 CDAC in-vitro O=C(NC[C@H]1CCCN1)c1cc(Cl)c(Cl)[nH]1 53253180 PMWSITGJTCDSPD-ZCFIWIBFSA-N 262.140 1.803 0 30 CDAC CCOC(=O)CCCCCC[C@@H](N)C(=O)OCC 34065063 YHIMFWJZBVHIPZ-LLVKDONJSA-N 259.346 1.781 0 30 CDAC CS(=O)(=O)c1ccc(Br)cc1CC(=O)O 258482512 ITNPUFJFIPAWNA-UHFFFAOYSA-N 293.138 1.480 0 30 CDAC O=S1(=O)[C@@H]2CCNCC[C@H]2CN1CCc1ccccc1 503878182 YDNJVZVGUSWVFE-LSDHHAIUSA-N 294.420 1.243 0 30 CDAC CCCC[C@@H]1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O 2040043 IVELJTFCCSNMJA-VQXHTEKXSA-N 282.340 1.175 0 30 CDAC CCCNC(=O)NC(=O)c1cnccc1C(F)(F)F 4382983 OVDSCCOHEKDPTB-UHFFFAOYSA-N 275.230 1.950 0 30 CDAC COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(N)CC1 146294793 IOVITUHRWHBMGQ-VQXHTEKXSA-N 286.372 1.570 0 30 CDAC Nc1cc(C(=O)c2ccccc2C(=O)O)ccc1O 33506612 WNAKJMCFTKLYCZ-UHFFFAOYSA-N 257.245 1.904 0 30 CDAC O=C(O)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O 2391013 VXBVXKTYLGBNIB-LURJTMIESA-N 286.265 1.119 0 30 CDAC CCCCC[C@@H]([C@H](CCO)CC(=O)O)N1C=NCC1 585138850 OPKMDTROCAVYII-OLZOCXBDSA-N 270.373 1.753 0 30 CDAC CC(C)(C)OC(=O)[C@@]1(C(=O)O)CCCC[C@@H]1CN 1081110493 VUXVGAZURQOEIT-RNCFNFMXSA-N 257.330 1.548 0 30 CDAC CC(=O)C(Sc1nnc(C(F)(F)F)n1C)C(C)=O 100375517 VFDGPGFJSLMMBB-UHFFFAOYSA-N 281.259 1.473 0 30 CDAC CCOC(=O)[C@H](Cc1ccccc1)C[P@@H](=O)O 2265385597 OGZBNDUUISTXFP-LLVKDONJSA-N 256.238 1.875 0 30 CDAC CC(C)[C@H](Br)C(=O)N[C@H](C(=O)O)C(C)C 32219396 TXBCCLQZSRLUJW-YUMQZZPRSA-N 280.162 1.631 0 30 CDAC COC(=O)/C(=C\c1c(C)cc(O)cc1C)NC(C)=O 242750659 ZUZHKCUJIWMMFX-UHFFFAOYSA-N 263.293 1.659 0 30 CDAC CC(C)(C)OC(=O)N1CC(N)(c2nccs2)C1 2265385796 VYTFXNVLTWUFMG-UHFFFAOYSA-N 255.343 1.548 0 30 CDAC CCOC(=O)N1CCC(Nc2ccccc2)(C(N)=O)CC1 33607279 HUXFLUGDDURGAH-UHFFFAOYSA-N 291.351 1.575 0 30 CDAC CN[C@@H](C)c1cccc(N2C[C@@H](C)CS2(=O)=O)c1 216487004 CUBYMVJCKPGVNS-MNOVXSKESA-N 268.382 1.753 0 30 CDAC Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1O 91351560 NAIBUYFTIYYWTG-UHFFFAOYSA-N 297.358 1.937 0 30 CDAC CC(C)COC(=O)[C@H]1c2ccc(O)cc2[C@H](O)CN1C 31881000 LRSDNUVUJLHRAP-ZIAGYGMSSA-N 279.336 1.611 0 30 CDAC COC(=O)Cc1ccc(C(=O)OC)cc1Br 59086477 RISSVGMDPORMGD-UHFFFAOYSA-N 287.109 1.951 0 30 CDAC COC(=O)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1C 2265364155 LEKYZIVHXHFCNX-UHFFFAOYSA-N 294.156 1.035 0 30 CDAC CCOC(=O)C(C)(C(=O)OCC)c1ccc(N)c(F)c1 35963858 AXSSLCGWLSGEET-UHFFFAOYSA-N 283.299 1.792 0 30 CDAC CNCc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1 45392958 JASANHHOUGCVEF-UHFFFAOYSA-N 298.321 1.983 0 30 CDAC O=Cc1c(Br)n[nH]c1Br 113634245 BKUYWYXSQUOTIP-UHFFFAOYSA-N 253.881 1.747 0 30 CDAC Cn1cc([C@H]2CNC[C@H](C(=O)OC(C)(C)C)C2)cn1 584880000 QIBIDNFFBJETLH-GHMZBOCLSA-N 265.357 1.455 0 30 CDAC C[C@H]1CNC[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 616582315 MLTNMWYTXODODN-GWCFXTLKSA-N 256.346 1.374 0 30 CDAC COc1cc(Cl)cc2c1NC(=O)NS2(=O)=O 6718558 YIMAAXJOHOYGOE-UHFFFAOYSA-N 262.674 1.172 0 30 CDAC CC(C)(C)OC(=O)NC[C@H](O)c1ccc(O)cc1 117773622 YGJBWOOFDAKLIF-NSHDSACASA-N 253.298 1.950 0 30 CDAC CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)O 34578928 FVHNREIIJUFQSY-UHFFFAOYSA-N 258.617 1.905 0 30 CDAC COC(=O)c1cc(OC)cc(OC)c1C(=O)OC 5879676 JUKQMQKLYKDEFP-UHFFFAOYSA-N 254.238 1.277 0 30 CDAC C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC(=O)O)O1 309836997 UVZFNQFMVKGKKE-DTWKUNHWSA-N 259.302 1.486 0 30 CDAC COc1ccc(C(=O)Nn2c(C)cc(=O)cc2C)cc1 150835 MODHAVAPWBMVRK-UHFFFAOYSA-N 272.304 1.858 0 30 CDAC CCOC(=O)NC(=O)C(=NNc1ccccc1)C(C)=O 256080955 RYABQPQOYUCMKR-UHFFFAOYSA-N 277.280 1.316 0 30 CDAC CC(C)(C)OC(=O)C1CCN(N2CCC[C@@H]2C(=O)O)CC1 199437068 QPHMUHFEABFTFH-GFCCVEGCSA-N 298.383 1.504 0 30 CDAC CC(C)(C)OC(=O)N1CCn2nc(Cl)nc2C1 214614938 HHJLREHJPUIIJI-UHFFFAOYSA-N 258.709 1.682 0 30 CDAC CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(O)cc1 2541606 YGJBWOOFDAKLIF-LLVKDONJSA-N 253.298 1.950 0 30 CDAC CCOC(=O)[C@@H]1C(=O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 390724577 QDRCEIFSUYFTIV-FOGDFJRCSA-N 297.351 1.907 0 30 CDAC CC(C)[C@@]1(NC(=O)c2ccccc2)COCOC1=O 4283131 NSURGGCELRNBSB-AWEZNQCLSA-N 263.293 1.342 0 30 CDAC NC[C@@H](CO)Cc1cc(Br)ccc1F 63065165 FXMFLRPYJWJVET-ZETCQYMHSA-N 262.122 1.698 0 30 CDAC Cc1cc(Br)cc(C)c1S(N)(=O)=O 36666975 NVIDDSIFRGXGOI-UHFFFAOYSA-N 264.144 1.713 0 30 CDAC Nc1c(-c2nn[nH]n2)cnn1-c1cc(Cl)cc(Cl)c1 143007 RJSGCOOAQRSOLF-UHFFFAOYSA-N 296.121 1.941 0 30 CDAC O=c1[nH]sc2cc3cc(Cl)ccn3c(=O)c12 299803378 MMAAAXPWHGCXHO-UHFFFAOYSA-N 252.682 1.856 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccnc1OCC1CC1 2265364196 YBJOSRNZBKYJRQ-UHFFFAOYSA-N 293.172 1.124 0 30 CDAC CCOC(=O)[C@@H](Cc1ccccc1)C[P@@H](=O)O 2265385598 OGZBNDUUISTXFP-NSHDSACASA-N 256.238 1.875 0 30 CDAC CC(C)[C@@H]1NC[C@@]12C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2 675050143 GXGHQJIMONLFGZ-MCYUEQNJSA-N 284.400 1.649 0 30 CDAC Cc1cc(N2CC[C@@H](N)C2=O)ccc1Br 49648446 DSTFDWMELKKNBB-SNVBAGLBSA-N 269.142 1.822 0 30 CDAC in-vitro O=C(O)[C@@H]1CNCCN1Cc1cccc(Cl)c1 75203628 QNYKWXUXHHISAE-NSHDSACASA-N 254.717 1.198 0 30 CDAC COc1ccc(C(=O)O)cc1OC1CCN(C)CC1 238851123 FFWRKVDYUBEKJF-UHFFFAOYSA-N 265.309 1.866 0 30 CDAC NC1=N[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1 173760 HVZBMAKCDGCFLE-ZIAGYGMSSA-N 265.316 1.897 0 30 CDAC CC(C)(C)OC(=O)N1CCc2cnc(CN)nc2C1 95760923 FPRXWIMBOJZSMS-UHFFFAOYSA-N 264.329 1.229 0 30 CDAC CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1N 260710263 JNULORTZABIGPU-QWRGUYRKSA-N 286.372 1.524 0 30 CDAC CC[C@H]1CN1c1nc(N2C[C@H]2CC)nc(N2C[C@H]2CC)n1 255981240 JMDOEUVPOVHBNU-IBDYSFOSSA-N 288.399 1.667 0 30 CDAC NS(=O)(=O)c1cccc(-c2ccc(C(=O)O)o2)c1 35677593 GPOLQEMETAGELB-UHFFFAOYSA-N 267.262 1.292 0 30 CDAC CC(C)(C)OC(=O)N1CCC(NC(N)=S)CC1 59680827 KXHNTGAMNKYTRF-UHFFFAOYSA-N 259.375 1.219 0 30 CDAC CC1(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)N=N1 140268722 PJUUJBXEWCWACQ-ZETCQYMHSA-N 257.290 1.927 0 30 CDAC in-vitro CCOC(=O)CSc1n[nH]c(=O)n1-c1ccccc1 120171 QJRQTPUQUUKNFD-UHFFFAOYSA-N 279.321 1.216 0 30 CDAC CC[C@@H]1[C@@H](C(=O)OC)C(=O)CCN1C(=O)OC(C)(C)C 238294099 DBSORQIBUVWRHY-MWLCHTKSSA-N 285.340 1.764 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(F)(F)F)C1=O 137431081 NACBMNLTYPLOGJ-LURJTMIESA-N 281.230 1.901 0 30 CDAC C=C(C)C(=O)OCCOC(=O)[C@H]1CCCC[C@@]1(C)C(=O)O 142052097 PZYDJJGYMJPKPS-IAQYHMDHSA-N 298.335 1.930 0 30 CDAC COC(=O)/C=C/c1ccccc1OC[C@@H](O)CNC(C)C 3649806 LWRSDAUWAOJRPA-VFNNOXKTSA-N 293.363 1.611 0 30 CDAC in-man CC[C@H](CNCCO[S@](=O)(O)=S)C1CCCC1 5599333 SEBZMEGIAVOMEZ-SNVBAGLBSA-N 281.443 1.943 0 30 CDAC CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)O 34577117 UCRYUXJCACOTHB-FNLFQXNBSA-N 286.368 1.316 0 30 CDAC CCOC(=O)c1c[nH]c(C)c(C(=O)OC(C)(C)C)c1=O 95642771 MOQSHRMTMZYJNG-UHFFFAOYSA-N 281.308 1.815 0 30 CDAC CC(=O)OCc1cnc(C)c(O)c1COC(C)=O 34750970 IRWPWCJSDJOZPM-UHFFFAOYSA-N 253.254 1.222 0 30 CDAC CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 223502757 GPNUVPVTXHBPJI-GEVSDDDWSA-N 274.313 1.029 0 30 CDAC S=C(SCc1ncon1)N1CCSCC1 110450 WXNQMNUBUULXCB-UHFFFAOYSA-N 261.397 1.637 0 30 CDAC O=c1nc(Cl)[nH]c2ncn(Cc3ccccc3)c12 1687768 WBBIEQUZXWSKAE-UHFFFAOYSA-N 260.684 1.821 0 30 CDAC CCOC(=O)c1cccn1S(=O)(=O)c1ccccc1N 5844828 YWQSOBQWNWDIRF-UHFFFAOYSA-N 294.332 1.484 0 30 CDAC CCn1ncc2c(NC3CCOCC3)c(CN)c(C)nc21 116169255 ZPSSDEDGCHQSNT-UHFFFAOYSA-N 289.383 1.809 0 30 CDAC CC(C)(C)OC(=O)N1CCCNC[C@@]1(C)C(=O)O 95930095 OEYZRFVADVDDDT-LBPRGKRZSA-N 258.318 1.060 0 30 CDAC C[C@H](NC(=O)OC(C)(C)C)c1cc(C(=O)O)no1 91301799 QHPHGGWCQRZOIQ-LURJTMIESA-N 256.258 1.959 0 30 CDAC O=C(N[C@@H](O)C(=O)c1ccccc1)c1cccnc1 33754708 QBAYVSXXBZQKOQ-AWEZNQCLSA-N 256.261 1.013 0 30 CDAC CC(C)(C)C(=O)Nc1nc(O)c2nc(S)[nH]c2n1 607716123 NFHPAVCLJXKMCC-UHFFFAOYSA-N 267.314 1.332 0 30 CDAC O=C1O[C@]2(O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)N2c2ccccc21 104341267 MPIWVHGDHYEIMI-IDHNEPGISA-N 283.283 1.288 0 30 CDAC N[C@@H](Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)O 39280919 LFQUEJCLKFDEFB-ZETCQYMHSA-N 289.085 1.312 0 30 CDAC CC[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)CCN1 66351917 YRZJZDZGHUPFTL-LBPRGKRZSA-N 258.318 1.060 0 30 CDAC Nc1nnc(CC(=O)Nc2ccc(F)cc2)s1 8728215 SQCKYCUQOKLDIH-UHFFFAOYSA-N 252.274 1.441 0 30 CDAC CO[C@H]1O[C@H](C)[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OC 306121267 DNQLPGZLKBRKSP-RCSLCFTFSA-N 282.336 1.339 0 30 CDAC CC(C)OCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 69553894 PZPXSBUQUCRLAG-SECBINFHSA-N 261.318 1.779 0 30 CDAC CCc1nc2ccccc2c(=O)n1CCNC(C)C 33874099 JFTQRQVAUPOVCJ-UHFFFAOYSA-N 259.353 1.957 0 30 CDAC CC(C)(C)OC(=O)[C@H]1NCCC[C@@H]1NC(=O)C(F)(F)F 397363096 BXWWAIRZUFTDOE-YUMQZZPRSA-N 296.289 1.127 0 30 CDAC CNC(=S)NNc1cc(C)c2c(C)nn(C)c2n1 126196 YMHWMXOIDAUJDD-UHFFFAOYSA-N 264.358 1.006 0 30 CDAC Cc1ccc(S(=O)(=O)N2CCCC(=O)C2)cc1 82556317 HSKPWNDTRADNQI-UHFFFAOYSA-N 253.323 1.349 0 30 CDAC O=C1[C@H](N2CCCCC2)CCN1c1ccc(O)cc1 6093024 SFTCFBSAPNETJJ-CQSZACIVSA-N 260.337 1.983 0 30 CDAC Ic1ccn(C[C@H]2CCCO2)n1 86789242 CEXRRRKOMPAEMY-SSDOTTSWSA-N 278.093 1.667 0 30 CDAC COC(=O)/C=C(\Nc1cccc(OC)c1Cl)C(=O)OC 206715088 UWPDBYQSPTUWQR-CLFYSBASSA-N 299.710 1.990 0 30 CDAC C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)/C=C/C(=O)O1 31637618 KQNZDYYTLMIZCT-PNFJWZTBSA-N 280.364 1.962 0 30 CDAC in-vitro CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 4344140 IAIKAKWKWIJNAO-LBPRGKRZSA-N 278.352 1.868 0 30 CDAC Cc1ccc2c(c1)C(=O)O[C@]1(O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)N21 100394475 OOGYFYHGVBXWLB-QGEXLJBFSA-N 297.310 1.596 0 30 CDAC COC[C@@]1(C)C[C@H](C(=O)O)CN1C(=O)OC(C)(C)C 225253225 LRBXOOFTCQPISS-TVQRCGJNSA-N 273.329 1.733 0 30 CDAC C[C@@H](C(=O)N[C@H]1CC[C@H](C(=O)O)CC1)n1cccn1 675050796 MJMGYAVEDVEHLG-DCAQKATOSA-N 265.313 1.204 0 30 CDAC CCOc1ccc(NC(=O)c2nccnc2C(=O)O)cc1 147108 ILAUVWTVZOVRDV-UHFFFAOYSA-N 287.275 1.826 0 30 CDAC COc1cc([C@@H]2NC[C@@H](O)c3cc(O)ccc32)ccc1O 31274325 STYTWIOMLSAZOK-ZBFHGGJFSA-N 287.315 1.832 0 30 CDAC COc1ccc(OCc2nc(N)nc(SC)n2)cc1 124353 GOHGATRHKHQAMX-UHFFFAOYSA-N 278.337 1.763 0 30 CDAC COC(=O)c1scc(C)c1NC(=O)/C=C\C(=O)O 33382176 JZLVUBIVNHGGCA-ARJAWSKDSA-N 269.278 1.422 0 30 CDAC O=C(O)C(=O)Nc1ccc2c3c1C(=O)C[C@H]3CCC2 4214052 DHMOBVVEHRKNIO-MRVPVSSYSA-N 259.261 1.716 0 30 CDAC in-man CCOC(=O)C1(S(=O)(=O)c2ccccc2)CCNCC1 21984570 XSHWEWSJFSKHGQ-UHFFFAOYSA-N 297.376 1.146 0 30 CDAC O=S(=O)(c1ccccc1N1CCNCC1)C(F)(F)F 35186597 RHEJJGBGDKAYGX-UHFFFAOYSA-N 294.298 1.390 0 30 CDAC CNCc1ccc(-n2cc3c(F)ccc(C(N)=O)c3n2)cc1 45347304 IEABNMQRPROSDZ-UHFFFAOYSA-N 298.321 1.983 0 30 CDAC CCOC(=O)C(C)(Cc1ccsn1)C(=O)OCC 96327360 AUCCKTYDCHANRH-UHFFFAOYSA-N 271.338 1.818 0 30 CDAC COC(=O)c1cn(-c2ccccc2Br)nn1 585144494 SBSXSXBWMPXKTB-UHFFFAOYSA-N 282.097 1.816 0 30 CDAC CN(C)CCCN1C(=O)[C@@H](c2ccc(O)cc2)NC1=S 223709515 QUOBDGGMHMLMRK-GFCCVEGCSA-N 293.392 1.102 0 30 CDAC Oc1n[nH]c2cccc(I)c12 14983489 DHLAQFXDGYKFPN-UHFFFAOYSA-N 260.034 1.873 0 30 CDAC COCc1cc(=O)oc2cc(NS(C)(=O)=O)ccc12 89848 SRUVTWVTNWANPJ-UHFFFAOYSA-N 283.305 1.311 0 30 CDAC CC(=O)Cn1nc2n(c1=O)-c1ccccc1SC2 160628 MSMPIECBWTZBAG-UHFFFAOYSA-N 261.306 1.229 0 30 CDAC C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(Cl)cc1F 37413170 YFQIKMIQQQULKZ-LURJTMIESA-N 295.719 1.621 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc(N)cc1Cl 200327006 MGUMGARPPBQHHE-UHFFFAOYSA-N 271.553 1.176 0 30 CDAC COc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1 2653244 WUFRKWVMMQTDST-UHFFFAOYSA-N 259.265 1.041 0 30 CDAC CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 950757592 ZRRVUNJHPYMNEM-YIZRAAEISA-N 257.286 1.791 0 30 CDAC CC(C)(C)OC(=O)N1C[C@](C)(C(=O)O)C[C@@]1(C)C(=O)O 215640333 ZPGMEPRUPGEUJE-OLZOCXBDSA-N 287.312 1.561 0 30 CDAC CC(=O)NC1(C)CCN(C(=O)OC(C)(C)C)CC1 95932388 MMKRREMWZWXKGO-UHFFFAOYSA-N 256.346 1.912 0 30 CDAC NCCc1nc2ccccc2n1CCc1ncco1 2265384694 LUJZAKQRKBLPDL-UHFFFAOYSA-N 256.309 1.768 0 30 CDAC NS(=O)(=O)c1cc(Br)c(Cl)s1 1039594 PHEHCZUMVYYMMY-UHFFFAOYSA-N 276.564 1.811 0 30 CDAC COC(=O)[C@@H]1CNCC12CCN(C(=O)OC(C)(C)C)CC2 723967278 XRMUDZVYUDATJJ-NSHDSACASA-N 298.383 1.396 0 30 CDAC COc1cc(Br)cc(OC)c1CCN 308452289 GQUQWFAHJZJDMP-UHFFFAOYSA-N 260.131 1.968 0 30 CDAC COC(=O)c1scc(C)c1N1C(=O)C=CC1=O 82660 PLWDPIQDDJZHRF-UHFFFAOYSA-N 251.263 1.273 0 30 CDAC Cc1noc(C)c1S(=O)(=O)NCc1ccc(C)n1C 157987 QUCNYLOTFYLCAS-UHFFFAOYSA-N 283.353 1.417 0 30 CDAC Cc1cc(O)c(C(=O)Nc2nccs2)c(=O)[nH]1 3944813 FPWRGSGSGZGUGP-UHFFFAOYSA-N 251.267 1.098 0 30 CDAC Cc1cc(C(=O)O)n(-c2cccc(=O)n2C(C)C)n1 953052202 DTUVTCMCYYJPBY-UHFFFAOYSA-N 261.281 1.622 0 30 CDAC CC(C)(C)OC(=O)N1CCc2c(C(=O)O)noc2C1 212478734 APZZGMWUQIBWQN-UHFFFAOYSA-N 268.269 1.666 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1cccnc1F)C(=O)O 44300624 YJISLFBEXAEQQI-SECBINFHSA-N 284.287 1.741 0 30 CDAC COC(=O)[C@@H]1Cc2c(Br)cccc2O1 260504422 WDOCUOCBQZCPAZ-VIFPVBQESA-N 257.083 1.926 0 30 CDAC CCOC(=O)[C@H]1[C@H]2CNC[C@@H](C2)N1C(=O)OC(C)(C)C 199601140 IMALXXQBKVAKSL-GMTAPVOTSA-N 284.356 1.147 0 30 CDAC CS(=O)(=O)[C@@H]1Cc2cc(Br)ccc2C1=O 2265362024 UUEOYZPFCHPNMS-SECBINFHSA-N 289.150 1.601 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](CCN)C[C@@H]1C(=O)O 238854282 NHWPMCHBQRITJA-RKDXNWHRSA-N 258.318 1.045 0 30 CDAC CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](O)C1 22013862 CVBLNNNHPBYDIV-RNCFNFMXSA-N 273.329 1.358 0 30 CDAC CCOC(=O)c1cn(CC)c2nc(OCC)ncc2c1=O 38634747 PJWDDSNRKHPOOM-UHFFFAOYSA-N 291.307 1.387 0 30 CDAC Cc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)n1 44295171 WISHGICBZQJVQX-NSHDSACASA-N 280.324 1.910 0 30 CDAC CN(C)C(=O)Oc1ccc2nnc3ccnn3c2c1 79725 CBEHDZXCPSGRMU-UHFFFAOYSA-N 257.253 1.338 0 30 CDAC CCOC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)C(C)=O 21983267 ADRZKSCWMUVSDY-GFCCVEGCSA-N 289.287 1.051 0 30 CDAC NCc1c(F)cccc1I 44236443 FYXZRUMWEIPHKL-UHFFFAOYSA-N 251.042 1.889 0 30 CDAC COC1CC(C(=O)O)(N(C)C(=O)OC(C)(C)C)C1 234641315 FJFUTLPZZWGIIK-UHFFFAOYSA-N 259.302 1.486 0 30 CDAC Nc1ncnc2cc(I)ccc12 95629624 FNLLQHPTBMVOHC-UHFFFAOYSA-N 271.061 1.817 0 30 CDAC CC(C)(C)OC(=O)NCCCn1ccc(C(=O)O)n1 675049995 FIVCTGZFUAZUIJ-UHFFFAOYSA-N 269.301 1.496 0 30 CDAC O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cccnc1 5338163 HXPMRMUNVRANRB-LOWDOPEQSA-N 272.304 1.221 0 30 CDAC NCCc1noc(COc2ccc(Cl)cc2)n1 8729419 KVKAVHHZGHXOIA-UHFFFAOYSA-N 253.689 1.803 0 30 CDAC Nc1ccc2cccc(S(=O)(=O)CCO)c2c1 6094557 BPCNOAXJFXTTQY-UHFFFAOYSA-N 251.307 1.188 0 30 CDAC O=C1N[C@@H]2CCCC[C@@H]2[C@@H]2CN(c3ccccc3)N[C@H]12 605704284 XHIYKIMEWHXTLL-BARDWOONSA-N 271.364 1.685 0 30 CDAC CON=C[C@@H]1C(=O)C[C@H]2c3ccccc3CCN2C1=O 254703456 DQZARWXLLYEZPO-OLZOCXBDSA-N 272.304 1.334 0 30 CDAC Cc1cc(=NC(=S)NC(=O)C=Cc2ccccc2)[nH]o1 2265279831 WMZIWNXDEAFSSD-UHFFFAOYSA-N 287.344 1.931 0 30 CDAC CC[C@@H](C(=O)NC(=O)N[C@H]1CCc2ccccc21)N(C)C 5921933 OVHNSLYDROUXGZ-KBPBESRZSA-N 289.379 1.840 0 30 CDAC CC(=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 5196441 GJWXWJLLFSYCIB-UHFFFAOYSA-N 262.309 1.441 0 30 CDAC COc1cccc(F)c1C(=O)NC1CCNCC1 88079889 YSKPFCQUQSNUCL-UHFFFAOYSA-N 252.289 1.316 0 30 CDAC C=C1C(=O)O[C@@H]2CC(C)=C3CC[C@H](O)[C@]3(C)[C@@H](O)[C@@H]12 15115602 FBDSWWUVFCJETK-HYFYGGESSA-N 264.321 1.326 0 30 CDAC O=c1ccnc(-c2ccc(Br)cn2)[nH]1 129932241 XXTDSEBFRZRNGX-UHFFFAOYSA-N 252.071 1.594 0 30 CDAC COC(=O)[C@@H](N)Cc1ccc(Br)cc1F 69553533 ZVRVNDVYGDWWHN-VIFPVBQESA-N 276.105 1.631 0 30 CDAC CC(C)N(C)c1cnn([C@H]2CCCNC2)c(=O)c1 216710857 LTIUITKHXCPNRI-NSHDSACASA-N 250.346 1.012 0 30 CDAC COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1 2098 QKLSCPPJEVXONT-UHFFFAOYSA-N 294.336 1.177 0 30 CDAC in-man CC(C)(C)OC(=O)NCCCCNC1=NCCS1 39123794 QPQAZQNOXLOXEI-UHFFFAOYSA-N 273.402 1.984 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 77404674 ZPOBEQZMUMMOGD-VHSXEESVSA-N 277.386 1.867 0 30 CDAC CC[C@@H]1[C@H](C(=O)OC)C(=O)CCN1C(=O)OC(C)(C)C 238297044 DBSORQIBUVWRHY-KOLCDFICSA-N 285.340 1.764 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)O)OC2)C1 379476230 SRYYLHVDTOXDGH-SECBINFHSA-N 271.313 1.487 0 30 CDAC CCN1C(=O)C(=Cc2ccco2)SC1=Nn1cnnc1 1398938 IKEMEABPXADHDH-UHFFFAOYSA-N 289.320 1.627 0 30 CDAC O=C(O)CS(=O)(=O)/N=C/c1cccc2ccccc12 6118640 JZKYSWRJGPWVDK-RIYZIHGNSA-N 277.301 1.673 0 30 CDAC C[C@]1(C(=O)O)C[C@H](O)CN1C(=O)OCc1ccccc1 87493208 FHOUWOVYDRADDP-SMDDNHRTSA-N 279.292 1.233 0 30 CDAC O=C1[C@@H](N2CCCCC2)CCN1c1ccc(O)cc1 6093019 SFTCFBSAPNETJJ-AWEZNQCLSA-N 260.337 1.983 0 30 CDAC CCOC(=O)Cn1nc(C=Cc2ccccc2)ccc1=O 2265276232 YXLIKPYHIMEPBQ-UHFFFAOYSA-N 284.315 1.977 0 30 CDAC Ic1ccn(C[C@@H]2CCCO2)n1 86789239 CEXRRRKOMPAEMY-ZETCQYMHSA-N 278.093 1.667 0 30 CDAC CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@H]1N 144405973 HUJJKWSEEUDHJK-KBPBESRZSA-N 262.353 1.399 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccnc2ccccc12 199348313 GZHCYSWTUMBXPI-UHFFFAOYSA-N 273.141 1.488 0 30 CDAC COc1cc(Br)c(F)cc1S(N)(=O)=O 95347538 UITQIHIBKMBBIR-UHFFFAOYSA-N 284.106 1.244 0 30 CDAC in-vitro O=C(NCCOC(=O)c1cccnc1)c1cccnc1 2009871 XHQVBXRLUVDWRQ-UHFFFAOYSA-N 271.276 1.063 0 30 CDAC O=C(O)CCC1CCN(C(=O)C(F)(F)F)CC1 50922767 ZNFIXLVYCPWPND-UHFFFAOYSA-N 253.220 1.652 0 30 CDAC CC(C)(C)OC(=O)[C@@](N)(CC(=O)O)c1ccccc1 21301302 SAHQVGUAMGJPHY-CQSZACIVSA-N 265.309 1.657 0 30 CDAC CN(CCCC(=O)N1CCC(N)CC1)C(=O)OC(C)(C)C 58040905 IPGKUTMFNCVJLB-UHFFFAOYSA-N 299.415 1.583 0 30 CDAC in-vitro COc1cccc(NC(=O)NCCN2CCN=C2C)c1 100228462 RJOBYBCBGUGMPD-UHFFFAOYSA-N 276.340 1.551 0 30 CDAC Nc1c(I)ccc(F)c1C(=O)O 575718323 IXOPOEYUAMHNFW-UHFFFAOYSA-N 281.024 1.711 0 30 CDAC NNCCS(=O)(=O)C(c1ccccc1)c1ccccc1 19168119 MVQQJNGOCOSJLJ-UHFFFAOYSA-N 290.388 1.654 0 30 CDAC Cc1cc(NC(=O)CC(C)(C)CC(=O)O)n(C)n1 148210 ZEDUCLDAMOWEMN-UHFFFAOYSA-N 253.302 1.558 0 30 CDAC O=C(O)c1ccc(C(F)(F)F)cc1-n1nccn1 616220930 CGKBZXPNVPNXJF-UHFFFAOYSA-N 257.171 1.984 0 30 CDAC O=C(O)C(=O)Nc1ccc2c3c1C(=O)C[C@@H]3CCC2 6092280 DHMOBVVEHRKNIO-QMMMGPOBSA-N 259.261 1.716 0 30 CDAC in-man O=C1Nc2c(C(=O)O)cc(Br)cc2C1=O 211787933 UZKLVCWRNMAWFI-UHFFFAOYSA-N 270.038 1.282 0 30 CDAC O=C(NC1CN([C@@H]2CCCNC2)C1)OCc1ccccc1 35572039 ODOYXVORPSUJTQ-OAHLLOKOSA-N 289.379 1.349 0 30 CDAC CCOC(=O)C[C@@H](C(=O)CC(C)C)C(=O)OCC 106490691 XMDXGGONIHRFLJ-JTQLQIEISA-N 258.314 1.734 0 30 CDAC CCN1C[C@@H](C(=O)OC)C(=O)c2cnc(SC)nc21 38643262 SUDFURBPZBYNKJ-MRVPVSSYSA-N 281.337 1.010 0 30 CDAC CCOC(=O)C(=CNNc1ccccc1)C(=O)OCC 13656624 BGPJXFXVEGEXJY-UHFFFAOYSA-N 278.308 1.613 0 30 CDAC NC1=NON/C1=C(/N=O)Nc1ccc(F)c(Cl)c1 135817512 MUVQOOPKPBEAJZ-VQHVLOKHSA-N 271.639 1.634 0 30 CDAC CC(=O)O[C@]1(C)COc2ccccc2O[C@H]1C(=O)O 39123597 REEJLJYZXAOKNI-WCQYABFASA-N 266.249 1.233 0 30 CDAC CC1(C)O[C@H]2O[C@H](C[C@H](O)C[Si](C)(C)C)[C@H](O)[C@H]2O1 200156068 SQAAADJTRZITSB-RNWYCLNJSA-N 290.432 1.313 0 30 CDAC CC(C)C1(C(C)C)C(=O)N=C(N(C)C)C(C)(C)NC1=O 196431213 CNXKIFZBENSXIS-UHFFFAOYSA-N 281.400 1.680 0 30 CDAC C[C@@H]1CCN(C(=O)OC(C)(C)C)S(=O)(=O)O1 117688936 CIFMHARJEMLUFC-SSDOTTSWSA-N 251.304 1.277 0 30 CDAC CCOC(=O)NC(=O)C(C#N)=NNc1cccc(OC)c1 254733699 FXHSFULFXBFMJI-UHFFFAOYSA-N 290.279 1.259 0 30 CDAC COCC12CCN(C(=O)OC(C)(C)C)C(C(=O)O)(C1)C2 2265385653 XQOZFUQWANQAQC-UHFFFAOYSA-N 285.340 1.877 0 30 CDAC CC(C)OCCOCCOCCOCCOC(C)C 38636087 OUNJLSKZDGVRNU-UHFFFAOYSA-N 278.389 1.886 0 30 CDAC Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nc1 100237637 YGDCTWCBJAOTEG-UKJIMTQDSA-N 254.289 1.702 0 30 CDAC O=C(O)C[C@@H]1SC(c2ccc3c(c2)OCO3)=NC1=O 151296 VAIURZVRAALGEN-VIFPVBQESA-N 279.273 1.279 0 30 CDAC O=C(c1ccccc1Br)[C@@H]1CNCCO1 147822552 MVJNDPJFMMTQIR-JTQLQIEISA-N 270.126 1.620 0 30 CDAC C=CC(=O)OCCOCCOC(=O)CCN(CC)CC 5846632 CNHYJXIHRPPVEW-UHFFFAOYSA-N 287.356 1.007 0 30 CDAC COc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1 123798 WWXJCLBAMKNCEH-UHFFFAOYSA-N 271.276 1.999 0 30 CDAC CC[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 19261209 QBZNIVLSCXDTAG-SKDRFNHKSA-N 265.309 1.550 0 30 CDAC CC(C)(C)OC(=O)N[C@]1(C(=O)OC(C)(C)C)C=C[C@H](O)C1 115201489 GGGLYASGHCOETQ-ZUZCIYMTSA-N 299.367 1.912 0 30 CDAC Cn1cc(C(F)F)c(I)n1 685945731 CNQDYRKAHZQDFH-UHFFFAOYSA-N 258.009 1.962 0 30 CDAC CC(C)SC(C[C@@H](O)[C@H](O)CO)SC(C)C 1676425 IRUFIBUNWDMBNL-NXEZZACHSA-N 268.444 1.700 0 30 CDAC COC(=O)/C=C(\Nc1ccsc1C(=O)OC)C(=O)OC 100239892 UJPMRZBYQNTXLV-VURMDHGXSA-N 299.304 1.177 0 30 CDAC CS(=O)(=O)c1cc2cc(Cl)ccc2oc1=O 148952 LWCKPEVOXLLGIL-UHFFFAOYSA-N 258.682 1.850 0 30 CDAC O=C(NCc1cc(F)cc2c1OCOC2)c1ccno1 146967 LWTBGIYFUCUNQT-UHFFFAOYSA-N 278.239 1.610 0 30 CDAC C#CCN1C(=O)C(F)(F)Oc2cc(F)c([N+](=O)[O-])cc21 114807958 DTDIUARVIAHGNL-UHFFFAOYSA-N 286.165 1.685 0 30 CDAC Cn1nc(Br)c(C(=O)O)c1C(F)(F)F 215379842 XKLKKZSVGNZVHI-UHFFFAOYSA-N 273.008 1.900 0 30 CDAC CSC1=N[C@H]2CCNC[C@H]2C(=O)N1c1ccccc1 72233074 HVKFBABTZSKOLX-NEPJUHHUSA-N 275.377 1.730 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](N)C2(CCOCC2)C1 96957364 ONTHVMDBYONPFK-SNVBAGLBSA-N 256.346 1.361 0 30 CDAC C[C@@H]1CC(=O)NN=C1c1ccc(N2CCOCC2)c(F)c1 205899855 GJGGSLDXABLZLP-SNVBAGLBSA-N 291.326 1.522 0 30 CDAC CC(C)(C)OC(=O)N1CCC(N)(C(F)F)CC1 220888537 KNVOYLVFPDXDNQ-UHFFFAOYSA-N 250.289 1.980 0 30 CDAC CC[C@@H](C(=O)NC(=O)N[C@@H]1CCc2ccccc21)N(C)C 5921930 OVHNSLYDROUXGZ-KGLIPLIRSA-N 289.379 1.840 0 30 CDAC CC(C)(C)OC(=O)N1CCCN[C@@](C)(C(=O)O)C1 604936639 FRVCLZARCZIGJT-GFCCVEGCSA-N 258.318 1.060 0 30 CDAC COC(=O)[C@@H]1Cc2cccc(Br)c2CN1 258425912 GOLWSIVVNICFIY-JTQLQIEISA-N 270.126 1.636 0 30 CDAC Cc1ccc([C@](O)(CO)COC(=O)C(C)C)c(O)c1 12153206 HGIHDUILBYERQC-AWEZNQCLSA-N 268.309 1.080 0 30 CDAC O=C(NC1CC1)OC[C@H](O)[C@H]1COc2ccccc2O1 3634996 VCFPGQUWJMMYKA-GXFFZTMASA-N 279.292 1.076 0 30 CDAC Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc1 100237635 YGDCTWCBJAOTEG-XRRVDJEJSA-N 254.289 1.702 0 30 CDAC CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)O 101247699 UCRYUXJCACOTHB-YUNZMLDRSA-N 286.368 1.316 0 30 CDAC O=S1(=O)CC[C@H](n2cc(Br)cn2)C1 38085670 GFGDISVSWGFSKS-ZETCQYMHSA-N 265.132 1.005 0 30 CDAC O=c1[nH]cnc2scc(I)c12 95616793 CLFXVVSXCMXBAH-UHFFFAOYSA-N 278.074 1.589 0 30 CDAC Cc1noc(C)c1S(=O)(=O)NC1Cc2ccccc2C1 152662 MMTLREHHXLTGRL-UHFFFAOYSA-N 292.360 1.737 0 30 CDAC CNC(=O)NCc1c(N(C)C)cccc1N(C)C 141080 PCQVATOVDHDMOC-UHFFFAOYSA-N 250.346 1.248 0 30 CDAC O=C(O)C[C@H]1SC(c2ccc3c(c2)OCO3)=NC1=O 151295 VAIURZVRAALGEN-SECBINFHSA-N 279.273 1.279 0 30 CDAC O=C1C[C@@]2(CC[C@@H](NC(=O)OCc3ccccc3)C2)CN1 888084852 FLYMQNGAJZOPEA-CJNGLKHVSA-N 288.347 1.972 0 30 CDAC O=C(O)c1cnc2c(I)c[nH]c2c1 44712943 KHACXLWAYAEFBC-UHFFFAOYSA-N 288.044 1.866 0 30 CDAC CON(C)C(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 221063665 GVGFWRHJXMXSSY-QMMMGPOBSA-N 294.298 1.651 0 30 CDAC Cc1nn(C)c2c1C=N[C@@H](COc1ccccc1)CO2 885767761 NTIKUNVAXXORND-LBPRGKRZSA-N 271.320 1.987 0 30 CDAC O=[S@@](c1ccc(Br)cc1)[C@H]1CCNC1 218865976 MPAHNBYROKVVRL-HZMBPMFUSA-N 274.183 1.919 0 30 CDAC O=C(N[C@@H]1CCOC[C@@H]1O)OCc1ccccc1 706729111 NNPZVJYFQGRHEV-NEPJUHHUSA-N 251.282 1.063 0 30 CDAC CC(C)c1cccc(S(=O)(=O)O)c1S(=O)(=O)O 38645365 NZDMEVRRRUTNMT-UHFFFAOYSA-N 280.323 1.303 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H](CN)[C@@H]2C1 91304022 HLBMPIBPEUZPJQ-MXWKQRLJSA-N 256.346 1.217 0 30 CDAC CCOC(=O)[C@@](NC(C)=O)(OC(C)C)C(F)(F)F 3138604 CFAYEDYVJGVVSY-SECBINFHSA-N 271.235 1.369 0 30 CDAC O=S(=O)(c1ccccc1O)c1ccccc1O 5847661 QUWAJPZDCZDTJS-UHFFFAOYSA-N 250.275 1.931 0 30 CDAC COC(=O)c1nc2cc(C(F)(F)F)ccc2[nH]c1=O 95775084 RSXSUESFAJXVSG-UHFFFAOYSA-N 272.182 1.729 0 30 CDAC Oc1ccc(Cl)cc1-c1nc(-c2nc[nH]n2)no1 95348238 XPVORZGETZRKFH-UHFFFAOYSA-N 263.644 1.881 0 30 CDAC CCOC(=O)c1ccc2ncc(S(C)(=O)=O)c(O)c2c1 147075802 RAAJCGNWIKFYKI-UHFFFAOYSA-N 295.316 1.521 0 30 CDAC C[C@@](N)(C(N)=O)c1ccc(OCc2ccccc2)cc1 37514943 ZANZONWMNRAGJD-INIZCTEOSA-N 270.332 1.925 0 30 CDAC COC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)C1 675045636 DSDZGDVIEGBTMG-LLVKDONJSA-N 293.319 1.225 0 30 CDAC CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 95347663 HTINMSUVZLMQEV-QWRGUYRKSA-N 269.341 1.992 0 30 CDAC in-vitro CN(C)[C@@H]1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1 211271746 ZZCLZCOAJYRNTN-VHSXEESVSA-N 272.345 1.258 0 30 CDAC O=C(O)CN(CC(=O)Nc1cccnc1)Cc1ccccc1 130078 APGVTYVSGOJVDA-UHFFFAOYSA-N 299.330 1.607 0 30 CDAC O=C(NCCc1ccccn1)c1nc2ccccc2c(=O)[nH]1 8628163 CREPVAVQACQUEC-UHFFFAOYSA-N 294.314 1.291 0 30 CDAC CC1CCN(S(=O)(=O)c2cc(CO)ccc2F)CC1 88873517 IYPHGSDFYPBZSL-UHFFFAOYSA-N 287.356 1.739 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](Oc2cnccc2CN)C1 685939213 DGDZRFYVFJMGSU-LBPRGKRZSA-N 293.367 1.929 0 30 CDAC O=C1N=C2SCCN2C(=O)[C@H]1Cc1ccc(Cl)cc1 555 QSKVYHYMQQQAFS-JTQLQIEISA-N 294.763 1.970 0 30 CDAC in-man CC[S@@](=O)CC[C@@H](Nc1ccccc1)C(=O)O 2265351808 UETZTCYIGYZMKO-PIGZYNQJSA-N 255.339 1.710 0 30 CDAC CC1(C)OC[C@H]([C@@H]2CN(Cc3ccccc3)C(=O)CO2)O1 584879951 QVAIWVKRWAEMPF-UONOGXRCSA-N 291.347 1.566 0 30 CDAC CCOC(=O)c1nn(-c2ccc(C)cc2)c(=N)s1 4301256 SFLTWRWPSYZHOR-UHFFFAOYSA-N 263.322 1.898 0 30 CDAC Nc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)O 5162300 DUOCAITVQWIVJB-UHFFFAOYSA-N 292.316 1.768 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cnc2ccccc2c1 199348258 BVMHEGHYKAPYCD-UHFFFAOYSA-N 273.141 1.488 0 30 CDAC CO[C@@H]1CC(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@@]12COC(C)(C)O2 2265351537 DWVZUXOQXNSGDB-YAMSLAJTSA-N 286.324 1.016 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CN)OC2=O 669371609 JZVMWICPKRHDAO-JTQLQIEISA-N 284.356 1.278 0 30 CDAC CCCCCC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O 38604535 DAZZOIFMRJXUJM-RKDXNWHRSA-N 260.286 1.515 0 30 CDAC C[C@H](C(=O)O)c1ccc(S(=O)(=O)N(C)C)cc1 44493921 GHLICBYZLCIWML-QMMMGPOBSA-N 257.311 1.125 0 30 CDAC in-vitro Nc1ccc(Br)cc1S(=O)(=O)NC1CC1 37928684 FNTGBVKGCPQIPY-UHFFFAOYSA-N 291.170 1.472 0 30 CDAC in-vitro CC1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)CC1 13450589 GNOUJHHHVHESEW-LOWDOPEQSA-N 263.337 1.768 0 30 CDAC O=C(CCN1CCOCC1)Nc1ccc(O)cc1 31430418 KUUFSLSZSRNOMB-UHFFFAOYSA-N 250.298 1.053 0 30 CDAC C[C@]1(C2CC2)NC(=O)N(c2ccc(CN)cc2)C1=O 148587827 IUGNOUXIEPLKPC-CQSZACIVSA-N 259.309 1.370 0 30 CDAC COc1cccc(OC)c1[C@@](C)(O)C(OC)OC 142960 KKCCWHWMQJWBEF-CYBMUJFWSA-N 256.298 1.530 0 30 CDAC COc1cc(Cl)c(S(N)(=O)=O)cc1OC 82634712 FSVGYXPWGXCOSN-UHFFFAOYSA-N 251.691 1.005 0 30 CDAC in-vitro CCOC(=O)c1c(C)nc2nc(SC)nn2c1O 5857952 QOBVERSXZLZHLD-UHFFFAOYSA-N 268.298 1.037 0 30 CDAC NC1=C2CCCC[C@@H]2N(c2ccc3c(c2)OCO3)C1=O 100486377 DFSVLWDYYFZROH-NSHDSACASA-N 272.304 1.917 0 30 CDAC COC(=O)C1=C(C)[C@H](c2ccc(F)cc2)NC(=O)N1 340063 UVIZDIUXKBUCEE-SNVBAGLBSA-N 264.256 1.627 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2O[C@H](CO)CC[C@H]21 307647838 DDODHLUDMIVDHJ-AXFHLTTASA-N 257.330 1.536 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 83242823 QBSCLEPVLRCPHJ-YMTOWFKASA-N 297.355 1.232 0 30 CDAC COc1ccc(C[C@@H](CN)CO)cc1Br 63065247 KDOUUEQTPBNYQY-VIFPVBQESA-N 274.158 1.567 0 30 CDAC COC(=O)[C@@H]1C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 381980212 MLQGVKOJXVIEKS-QXEWZRGKSA-N 283.324 1.232 0 30 CDAC N=C(N)NCCC[C@H]1NCCc2c1[nH]c1ccccc21 14823980 NMPAXZOTIQZCEM-CYBMUJFWSA-N 271.368 1.618 0 30 CDAC COCCNC[C@@H](O)C(C)(C)Oc1ccccc1 205079862 XKBBLYSGQCPRSO-CYBMUJFWSA-N 253.342 1.441 0 30 CDAC C[C@@]1(C2CC2)NC(=O)N(c2cccc(CN)c2)C1=O 148587191 DQVVWNHMMCAUDD-AWEZNQCLSA-N 259.309 1.370 0 30 CDAC COc1ccc(OC)c(NC(=O)CSCC(=O)O)c1 101026 ZTTUDSTYLXFRRI-UHFFFAOYSA-N 285.321 1.460 0 30 CDAC O=C(O)C[C@@H]1CCn2c(cnc2Br)C1 212581882 JTHWHWCHRFODNW-ZCFIWIBFSA-N 259.103 1.683 0 30 CDAC CC(C)NC[C@@H](O)COc1cc(O)c(O)c2ccccc12 5760512 NQLMMVJNBRHISU-LLVKDONJSA-N 291.347 1.989 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 77404668 ZPOBEQZMUMMOGD-UWVGGRQHSA-N 277.386 1.867 0 30 CDAC COc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 5053735 OBAWZPBSQYASTO-UHFFFAOYSA-N 295.298 1.955 0 30 CDAC Nc1ccc([N+](=O)[O-])c2cc(S(=O)(=O)O)ccc12 59557179 VEGBSOGREZDNFD-UHFFFAOYSA-N 268.250 1.577 0 30 CDAC N[C@@]1(C(=O)O)CCc2ccc(Br)cc2C1 95755782 KUEQITHPTZKVLM-NSHDSACASA-N 270.126 1.720 0 30 CDAC Nc1nnc(CC(=O)Nc2ccccc2F)s1 8728183 SBZNLKFJPVXTLH-UHFFFAOYSA-N 252.274 1.441 0 30 CDAC Cc1ccc(S(=O)(=O)N2C(=O)Cc3cccnc32)cc1 89222099 CIQMUKROZXOGJQ-UHFFFAOYSA-N 288.328 1.668 0 30 CDAC O=c1nc([C@H]2CCCN(Cc3ccccc3)C2)[nH][nH]1 289492998 STECHSJQSBEHDK-LBPRGKRZSA-N 258.325 1.478 0 30 CDAC CCOC(=O)[C@@H](C(=O)C(F)(F)F)C(F)(F)F 498036679 SGTISEJLUUFWFM-GSVOUGTGSA-N 252.110 1.859 0 30 CDAC Cc1ccc2c(c1)C(=O)O[C@]1(O)[C@@H]3[C@@H](C(=O)N21)[C@H]1C=C[C@H]3C1 100394470 OOGYFYHGVBXWLB-RGCMHXFCSA-N 297.310 1.596 0 30 CDAC Cc1ccccc1-n1c(N)cc(=O)n(Cc2ccco2)c1=O 171070 UKBGFWLCLLZBHL-UHFFFAOYSA-N 297.314 1.531 0 30 CDAC COC(=O)c1c(O)cc(OC)cc1Br 38303171 AILDVAXLAHTJLJ-UHFFFAOYSA-N 261.071 1.950 0 30 CDAC COC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2577433 WJDUKLKAFZTEOQ-SNVBAGLBSA-N 273.329 1.576 0 30 CDAC Cc1cc2ncc(C3=NN[C@@](O)(C(F)(F)F)C3)c(C)n2n1 114965 FCSKGXSEFSYDLY-NSHDSACASA-N 299.256 1.294 0 30 CDAC COc1ccc(C(C)=O)cc1CSC1=NCN(C)CN1 4323649 KTKDSJOBACXDQN-UHFFFAOYSA-N 293.392 1.937 0 30 CDAC Cc1cc(=O)n2nc(-c3ccccc3)cc2n1CC(=O)O 12505442 DAOOTGXUXDGJAS-UHFFFAOYSA-N 283.287 1.556 0 30 CDAC CC(C)(C)OC(=O)N1CCCN(CCCCN)CC1 37038507 KMUWHXMBBPHJKR-UHFFFAOYSA-N 271.405 1.668 0 30 CDAC CCOC(=O)c1cnn(-c2ncc(Br)cn2)c1 130909548 GMDWJPGVPIIQPV-UHFFFAOYSA-N 297.112 1.602 0 30 CDAC CCOC(=O)Cn1nnc(-c2ccc(C)c(Cl)c2)n1 89833 MTUDDNBJRJCNSY-UHFFFAOYSA-N 280.715 1.865 0 30 CDAC O=S(=O)(NN=Cc1ccccc1)c1ccccc1 8655820 YTWHIULHUQMATC-UHFFFAOYSA-N 260.318 1.999 0 30 CDAC FC(F)(F)c1nc(I)n[nH]1 144983319 HZFFDSWSDQARSG-UHFFFAOYSA-N 262.960 1.428 0 30 CDAC O=C(OCc1ccccc1)N1C[C@@H](F)[C@@H](CO)C1 257860598 CHZWMGAUGNNAKR-VXGBXAGGSA-N 253.273 1.585 0 30 CDAC O=C(OCCS(=O)(=O)c1ccccn1)c1ccccc1 132135 YPFHLWUBPFIISW-UHFFFAOYSA-N 291.328 1.712 0 30 CDAC CCN(CC(C)C)C(=O)Cn1nc(C)c(N)c1C 35058724 BJJGCROOFKKLGU-UHFFFAOYSA-N 252.362 1.587 0 30 CDAC in-vitro CC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 82634635 SACDLDIMGQGNIK-UHFFFAOYSA-N 268.121 1.843 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CCC[C@@H](CN)O2)C1 307558615 DMYDETRMQVZCEQ-JTQLQIEISA-N 256.346 1.504 0 30 CDAC Cc1cc2ncc(C3=NN[C@](O)(C(F)(F)F)C3)c(C)n2n1 114968 FCSKGXSEFSYDLY-LLVKDONJSA-N 299.256 1.294 0 30 CDAC O=C1O[C@H](C(F)(F)F)N2[C@H](C(F)(F)F)SC[C@@H]12 140291140 KRLNXNAGXREPBI-RMXLIXJLSA-N 281.177 1.737 0 30 CDAC C[C@@H]1CNCCN1c1ccc(Br)cn1 54375196 JFDFHIWWBMESKN-MRVPVSSYSA-N 256.147 1.642 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H]1CCCCO1 695031005 JWTOLTDCGMMLII-BDAKNGLRSA-N 259.302 1.533 0 30 CDAC CCC[C@H](C)C1(CCSC)C(=O)NC(=S)NC1=O 1530825 KEMCRVSPPRNENL-QMMMGPOBSA-N 288.438 1.693 0 30 CDAC biogenic,in-man Nc1nc(N)c2cnc(NCc3ccccc3)nc2n1 307556236 OCZRBIVLXIXVGR-UHFFFAOYSA-N 267.296 1.196 0 30 CDAC O=c1c2ccccc2nnn1-c1ccnn1-c1ccccc1 33898595 CESAKWFJYFGAKH-UHFFFAOYSA-N 289.298 1.966 0 30 CDAC CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O 214382768 QTXGCIJBUIHPGR-BDAKNGLRSA-N 287.312 1.260 0 30 CDAC CC(C)(C)OC(=O)N1CC(OCC(F)(F)F)(C(=O)O)C1 725517060 DMPTYSFMAWCCPW-UHFFFAOYSA-N 299.245 1.639 0 30 CDAC CCOC(=O)c1nnc2c(Br)c(C)nn2c1C 169544 YATYHJIAPXWQDF-UHFFFAOYSA-N 299.128 1.680 0 30 CDAC CC(C)(C)OC(=O)N1CCC(CCN2CCNCC2)CC1 84720008 OLXGQEDRTXGTEH-UHFFFAOYSA-N 297.443 1.929 0 30 CDAC CC1=NN(C2=NCCCN2)C(=O)C1=NNc1ccccc1 254371755 ZDNHLOXWHFWSPU-UHFFFAOYSA-N 284.323 1.022 0 30 CDAC Nc1ccc2[nH]cc(I)c2n1 44712901 VANQRMILZQNPDC-UHFFFAOYSA-N 259.050 1.750 0 30 CDAC in-vitro c1ccc2c(c1)CC(Nc1ncc3c(n1)CCNC3)C2 144731602 RESRVDFIMBPWDM-UHFFFAOYSA-N 266.348 1.702 0 30 CDAC Cn1nccc1NS(=O)(=O)c1ccc(F)cc1 116636 PRPKDAOJFGGIEJ-UHFFFAOYSA-N 255.274 1.360 0 30 CDAC CCOC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C 95628406 QHWOZJGWXZDMDZ-BBBLOLIVSA-N 255.314 1.947 0 30 CDAC COC(=O)c1ccc(Br)c(NC(N)=S)c1 675047223 LVHNGAUAGDYSFH-UHFFFAOYSA-N 289.154 1.891 0 30 CDAC CC(=O)Oc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1 86702 BFFVGQBYGKVGSL-MNOVXSKESA-N 267.306 1.400 0 30 CDAC O=C(Nc1nnc(C2CC2)s1)[C@H]1CC[C@H]1C(=O)O 147211 JYGYOCODSZVOAV-NKWVEPMBSA-N 267.310 1.465 0 30 CDAC CCOC(=O)[C@@H](OC(=O)c1ccccc1)C(C)=O 100487218 QXJXFGNDWSSQAA-NSHDSACASA-N 250.250 1.364 0 30 CDAC CC(C)(C)OC(=O)N1CCC(CN2CC(CO)C2)CC1 309885043 YOOKPTXPIGNMFL-UHFFFAOYSA-N 284.400 1.558 0 30 CDAC COc1cc(I)cc(CCN)c1 95764813 YSSVUTGAIARVQZ-UHFFFAOYSA-N 277.105 1.801 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccc2cccnc12 199348287 PGMCGEPUYPXWCU-UHFFFAOYSA-N 273.141 1.488 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@]2(CCOC2)C1 585164665 DGWCZFNRYUVTEX-RNCFNFMXSA-N 271.313 1.345 0 30 CDAC Cc1ccc(NC(=S)NCCC(=O)O)cc1F 89610 YXONWECHXSKBHL-UHFFFAOYSA-N 256.302 1.895 0 30 CDAC Cc1cnc(NS(=O)(=O)c2ccccc2)c(C)n1 93254 LCRSIPABOTZMFH-UHFFFAOYSA-N 263.322 1.894 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 77404664 ZPOBEQZMUMMOGD-ZJUUUORDSA-N 277.386 1.867 0 30 CDAC CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCNCC1 58040728 ZLHYIUKQLRZKRV-LBPRGKRZSA-N 297.399 1.208 0 30 CDAC Cc1ccsc1CNC(=O)CSCC(=O)O 4324928 BQPLLVTUCGXYLB-UHFFFAOYSA-N 259.352 1.491 0 30 CDAC CN1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CC1=O 888084759 OWMMMXDIMHSPEJ-CYBMUJFWSA-N 254.330 1.476 0 30 CDAC CCN(CC)c1c(C)n(-c2ccccc2)c(=O)n(C)c1=O 3624206 HLXIMLMWUHODOU-UHFFFAOYSA-N 287.363 1.691 0 30 CDAC COC(=O)[C@H](C[C@@H]1CCCNC1)NC(=O)OC(C)(C)C 142550608 MIHZSPDEBFBJHD-QWRGUYRKSA-N 286.372 1.442 0 30 CDAC COc1cc(C=C(C(=O)O)C(=O)O)cc(OC)c1OC 88502 FDIHEZMCYDPQRL-UHFFFAOYSA-N 282.248 1.265 0 30 CDAC COc1ccc2[nH]cc([C@@H]3CC(=O)N(C)C3=O)c2c1 144967445 MOJKNRCVEODSSX-JTQLQIEISA-N 258.277 1.649 0 30 CDAC CCOC(=O)/C=C(\C)N[C@H](C(=O)O)c1ccc(O)cc1 111401292 GGGUKEUZOYLABH-XEHSLEBBSA-N 279.292 1.574 0 30 CDAC CCC[C@@]1(C)O[P@]2(=O)ON(NC(=O)C(C)(C)O2)C1=O 96332189 CZUNGSDNEWWVKO-GIGQVBGESA-N 292.228 1.284 0 30 CDAC CC(C)(C)OC(=O)NCC12CC(C)(C1)O[C@H]2C(=O)O 2265381526 YALLRNPUKIVCCN-LHKGTJRUSA-N 271.313 1.533 0 30 CDAC O=C(O)c1cc(S(=O)(=O)C(F)(F)F)ccc1F 129817275 NIFWRMDDDQSMGI-UHFFFAOYSA-N 272.175 1.817 0 30 CDAC CCOC(=O)CSc1nc(C(=O)OCC)c[nH]1 35606159 LOOYDFUCPVJZND-UHFFFAOYSA-N 258.299 1.242 0 30 CDAC OC1(c2scnc2Br)CCNCC1 216654698 YCUMLKMCSCHUMU-UHFFFAOYSA-N 263.160 1.477 0 30 CDAC N=c1nc(N2CCOCC2)c2c([nH]1)CN(c1ccccc1)C2 536558965 DWUQCVVGMJZMAI-UHFFFAOYSA-N 297.362 1.246 0 30 CDAC CCOC(=O)Cc1cc(=O)n2nc(C(C)(C)C)cc2[nH]1 15919716 JQMIKCQPRYQAIB-UHFFFAOYSA-N 277.324 1.426 0 30 CDAC CCOC(=O)Cn1sc2nc(C)cc(C)c2c1=O 160334 DKPDYTIODYWMNJ-UHFFFAOYSA-N 266.322 1.638 0 30 CDAC CC1(C)OC[C@H]([C@H](CO)OCc2ccccc2)O1 15204156 BCACQGHYULTSHT-QWHCGFSZSA-N 252.310 1.716 0 30 CDAC Oc1ccc([C@@H]2Oc3cc(O)cc(O)c3[C@@H](O)[C@H]2O)cc1 2558145 FSVMLWOLZHGCQX-KFWWJZLASA-N 290.271 1.331 0 30 CDAC in-vitro CC[C@H](C)[C@@H](N)C(=O)NC[C@H](CC(=O)O)CC(C)C 88273028 RKXTZRUEBBDKMD-GMXVVIOVSA-N 272.389 1.613 0 30 CDAC CC(C)(C)OC(=O)NC1CC2(C1)NCCN1CCC[C@@H]12 306380574 QXOBQUYMASGEEB-MQYJIDSJSA-N 281.400 1.480 0 30 CDAC CCOC(=O)c1cc(O)c2c(c1)O[C@H](OCC)O2 220727268 PNWDLLDLUVFQKY-LBPRGKRZSA-N 254.238 1.660 0 30 CDAC CN(CC(=O)O)S(=O)(=O)c1cccc(Cl)c1 34936975 PEHSRJBDAYMGIB-UHFFFAOYSA-N 263.702 1.045 0 30 CDAC CC[C@@H]1CN1c1nc(N2C[C@H]2CC)nc(N2C[C@H]2CC)n1 255981241 JMDOEUVPOVHBNU-IGMBZFAQSA-N 288.399 1.667 0 30 CDAC COc1cc(C2=NNC(=O)CC2)cc(OC)c1OC 166161 BDIDTRCUGHUSJF-UHFFFAOYSA-N 264.281 1.327 0 30 CDAC CCOC(=O)C1=C(N)Oc2ccccc2[C@@H]1C(C#N)C#N 79946 PGZXQGHYGPTEEZ-LBPRGKRZSA-N 283.287 1.559 0 30 CDAC COC(=O)/C=C(/Nc1ccc(Cl)cc1)C(=O)OC 100251622 GUWJSEHTWDAOGY-JXMROGBWSA-N 269.684 1.982 0 30 CDAC CCOc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N3C)cc1 145594291 RBNJBKJYVAQZTJ-GASCZTMLSA-N 288.391 1.933 0 30 CDAC NS(=O)(=O)c1cc(Br)cc2c1OCCC2 207255056 LGQUYFARAWUMEB-UHFFFAOYSA-N 292.154 1.422 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(C1)NCCc1nc[nH]c12 258634848 SYPPZHWZYJYVER-AWEZNQCLSA-N 278.356 1.392 0 30 CDAC CCOC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 157720 XNARAPFIWSCPFO-UHFFFAOYSA-N 281.312 1.334 0 30 CDAC O=C(O)COC1CN(C(=O)OCc2ccccc2)C1 2577461 NLPQBHHUAHWEDY-UHFFFAOYSA-N 265.265 1.109 0 30 CDAC O=C(CNC(=O)COc1ccccc1)NCc1ccccc1 3053201 FTWFHSQLJWYOBW-UHFFFAOYSA-N 298.342 1.498 0 30 CDAC COC(=O)c1cccc(Oc2ccnc(N)c2N)c1 39133518 VVVROICWDBXNQS-UHFFFAOYSA-N 259.265 1.825 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1[nH]cnc1F)C(=O)O 5881939 FFKFEQBIILDPHQ-SSDOTTSWSA-N 273.264 1.069 0 30 CDAC CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)[N@]1O[C@@]13C2(Cl)Cl 2048487696 HAMBQYFZDBYWHU-OJAOGDDASA-N 298.191 1.883 0 30 CDAC CO[C@]12C[C@@H](CO)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13 5967031 JGQZSBLQHCTAJF-JGFGOQIWSA-N 286.375 1.878 0 30 CDAC world CN(C(=O)OC(C)(C)C)[C@H](CC(=O)O)C(F)F 258010365 QMDLUAJGJSINFQ-ZCFIWIBFSA-N 253.245 1.962 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H](N)C12CCOCC2 723539098 GNKZZXVIXSZHND-NXEZZACHSA-N 256.346 1.408 0 30 CDAC O=[N+]([O-])C=C1NCCN1Cc1ccc(Cl)nc1 198890 ALNDHUQPXHHNON-UHFFFAOYSA-N 254.677 1.216 0 30 CDAC Cc1ccc2c(c1)nnc1nnc(SCC(=O)O)n12 133922 PIQMLZKVWOJPIV-UHFFFAOYSA-N 275.293 1.158 0 30 CDAC O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 488123 MPBLVPMGVIUHFH-LOUJCGABSA-N 299.326 1.096 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H](C(=O)O)C1 2265385760 PUOZBKPXVGMMAP-BDAKNGLRSA-N 259.302 1.079 0 30 CDAC O=C(NCCN1CCNC1=O)Nc1cccc2ccccc12 146520 VUIQXPOJBFJCKJ-UHFFFAOYSA-N 298.346 1.987 0 30 CDAC COc1cccc(S(=O)(=O)NC(C)(C)C)c1C(=O)O 138558584 IUYRNAKHYGFGDU-UHFFFAOYSA-N 287.337 1.470 0 30 CDAC C[C@H](O)CNC[C@]1(C)C[C@@H](NC[C@@H](C)O)CC(C)(C)C1 33608676 JTURHGQTASTBFY-KNCOVGOOSA-N 286.460 1.512 0 30 CDAC NC(=O)c1cccc(I)c1O 59899587 BEDWVZNZMCXGRQ-UHFFFAOYSA-N 263.034 1.096 0 30 CDAC C=C(C)C(=O)OCCOC(=O)[C@H]1CCCC[C@@H]1C(=O)O 33986276 GWFCWZQFUSJPRE-QWRGUYRKSA-N 284.308 1.540 0 30 CDAC O=C(O)c1ccc(C(F)(F)F)nc1N1CCOCC1 94337930 INBYYSPAFRQJQT-UHFFFAOYSA-N 276.214 1.635 0 30 CDAC NC[C@H]1OCCc2sc(I)cc21 205005156 IKIPFLHWOFSBPH-ZCFIWIBFSA-N 295.145 1.925 0 30 CDAC O=C1c2ccccc2C(=O)N1[C@@H](CO)[C@@H](O)c1ccccc1 174064 WYYYOFSHOBFXNF-GJZGRUSLSA-N 297.310 1.377 0 30 CDAC COc1ccc(Cl)cc1N1C(=O)CSCC1=O 102347 WBORHIQTGATRCD-UHFFFAOYSA-N 271.725 1.955 0 30 CDAC CCOC(=O)c1c(Br)nn2c1CCC2 616582233 JDXVEDXEDDKAAJ-UHFFFAOYSA-N 259.103 1.769 0 30 CDAC CCOC(=O)Nc1ccc(OC[C@H](O)CNC2CC2)cc1 33885280 DJGMBGHVDGNMDF-CYBMUJFWSA-N 294.351 1.747 0 30 CDAC O=C(O)c1ccc2nc(N3CCOCC3)sc2c1 6750949 CAVVSQULDMGLPU-UHFFFAOYSA-N 264.306 1.831 0 30 CDAC CC(=O)O[C@@H]1CO[C@H](COC(=O)c2ccccc2)O1 22012184 HZFOOXNVWXVDJP-RYUDHWBXSA-N 266.249 1.106 0 30 CDAC CCOC(=O)[C@H]1C[C@@H]1NC(=O)OCc1ccccc1 95831123 YLPHGKPNNZKULJ-RYUDHWBXSA-N 263.293 1.864 0 30 CDAC NC1(c2noc(CCC(=O)O)n2)CCCCCC1 725343230 DBPKECSAWSTJFU-UHFFFAOYSA-N 253.302 1.595 0 30 CDAC Nc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 5420715 ANWCFOBHFNQQSV-UHFFFAOYSA-N 272.260 1.925 0 30 CDAC COc1cc(OC)cc(N2C(=O)CSCC2=O)c1 102388 RCSBMUVJPKFWDB-UHFFFAOYSA-N 267.306 1.310 0 30 CDAC O=C1OCc2ccc(NC(=O)c3nccnc3C(=O)O)cc21 129509 RPPQMOPOMKCCDB-UHFFFAOYSA-N 299.242 1.098 0 30 CDAC c1ccc(COc2cnc(N3CCNCC3)nc2)cc1 136421 NGCDQKNRWBVNTI-UHFFFAOYSA-N 270.336 1.465 0 30 CDAC in-vitro COC(=O)c1cc(=O)n2c(-c3ccccc3)nnc2s1 124309 OOBSGYQBKPZFPX-UHFFFAOYSA-N 287.300 1.605 0 30 CDAC CC1(C)OC[C@H](COc2cccc(C(=O)O)n2)O1 113893375 SAHLVKZNPSBQQE-QMMMGPOBSA-N 253.254 1.310 0 30 CDAC O=C(O)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 22144279 XDGGKUYZNMOCTL-NSHDSACASA-N 269.322 1.065 0 30 CDAC CC(C)(C)OC(=O)N1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)O 220230645 WOBKBMPGYCRARV-WKEGUHRASA-N 299.245 1.374 0 30 CDAC Cn1nc(CN)c2c1CCN(C(=O)OC(C)(C)C)C2 258679934 VXMOUSANAFFLHZ-UHFFFAOYSA-N 266.345 1.172 0 30 CDAC Nc1nc(N)c(Br)nc1Br 34584865 AKLAFGNOMZXJIJ-UHFFFAOYSA-N 267.912 1.166 0 30 CDAC COC(=O)[C@@H](Oc1ccccc1C(N)=O)c1ccco1 38632881 NZGLPWKKPRXQTJ-LBPRGKRZSA-N 275.260 1.672 0 30 CDAC COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCNCC2 725262332 VBRSZDABOVLMHE-NSHDSACASA-N 298.383 1.396 0 30 CDAC O=C(O)[C@H]1Cc2cc(I)ccc2O1 89065038 QCXJHQPDRKWMEZ-MRVPVSSYSA-N 290.056 1.679 0 30 CDAC O=C(CSCCOc1ccccc1)N1CCOCC1 2158227 DLVBJZXIGXPUQI-UHFFFAOYSA-N 281.377 1.657 0 30 CDAC COC(=O)[C@@H]1CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 95930204 AFVJQNPGRDLPCM-BDAKNGLRSA-N 287.312 1.260 0 30 CDAC CCOC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 106936124 YWIJPIAJDBKDMG-SNVBAGLBSA-N 272.345 1.149 0 30 CDAC Cc1cccc(N2CCN([C@H](C)C(=O)O)CC2)c1C 11804457 JQMQHVDHRBCNCZ-CYBMUJFWSA-N 262.353 1.899 0 30 CDAC CCOC(=O)c1nn2cc(F)ccc2c1C(=O)OCC 953019491 HERRKCWQQIIYHD-UHFFFAOYSA-N 280.255 1.827 0 30 CDAC CC(C)(C)NC[C@H](O)COc1ccc(CCO)cc1 34168880 GXMGQAISBVDYRX-ZDUSSCGKSA-N 267.369 1.349 0 30 CDAC COc1nc(Cl)nc(NC[C@H](CC(C)C)C(=O)O)n1 94703482 WTSJDBNIFXCUSK-ZETCQYMHSA-N 288.735 1.692 0 30 CDAC COCc1cc(=O)[nH]c(SCC(=O)c2ccccc2)n1 13465215 LWGBOEVXLCOFPA-UHFFFAOYSA-N 290.344 1.891 0 30 CDAC Cc1cc(C(=O)O)c(NC(=O)c2ccc(=O)[nH]n2)s1 110775298 AMLWGFACRTZOFA-UHFFFAOYSA-N 279.277 1.090 0 30 CDAC CC1=NN(c2ccccc2)C(=O)C1=CN1CCOCC1 1515825 ZITDFRFPRRUJBQ-UHFFFAOYSA-N 271.320 1.625 0 30 CDAC CS(=O)(=O)c1cccc(Br)c1C(=O)O 258530349 IQBWAUANTZYGNC-UHFFFAOYSA-N 279.111 1.551 0 30 CDAC O=C(NC[C@@H]1CCCNC1)Nc1ccc(F)cc1 19407747 VWSSTYUJKMKTDF-SNVBAGLBSA-N 251.305 1.947 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1nc[nH]c1F)C(=O)O 5801095 FFKFEQBIILDPHQ-ZETCQYMHSA-N 273.264 1.069 0 30 CDAC CCOC(=O)C[C@@H](C(=O)OCC)C(=O)C(C)(C)C 106490708 OHLVUEPSGYXRRO-SECBINFHSA-N 258.314 1.734 0 30 CDAC CC(C)(C)OC(=O)NC[C@H](CO)Cc1ccccn1 98210085 POCFPDXRIGQUIJ-LLVKDONJSA-N 266.341 1.757 0 30 CDAC O=C1CCC(=O)N1CNC1=Cc2ccccc2NC1 101111793 SFJFXJLEUGTYTN-UHFFFAOYSA-N 257.293 1.149 0 30 CDAC O=S1(=O)CCC(n2cc(Br)cn2)CC1 76726929 VWXKUVNQVOUBBA-UHFFFAOYSA-N 279.159 1.395 0 30 CDAC Nc1c(I)ccnc1Cl 96327011 OMOGWKQVHILZND-UHFFFAOYSA-N 254.458 1.922 0 30 CDAC CC(=O)Nc1cc(S(=O)(=O)CCO)c(C)cc1C 6069818 APKKTXVDDACAIN-UHFFFAOYSA-N 271.338 1.028 0 30 CDAC CCOC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC 13446262 CAXFSIWSCHLEMR-NSHDSACASA-N 283.368 1.936 0 30 CDAC COc1ccc(CC(=O)O)cc1I 39617099 JWLMGEOLRNFHSW-UHFFFAOYSA-N 292.072 1.927 0 30 CDAC CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)OC(C)(C)C 953018971 VQHDFROXQHCGAZ-TVQRCGJNSA-N 255.314 1.949 0 30 CDAC O=C(O)C1(c2ccc3c(c2)OCO3)CCOCC1 34940512 GORBYAZKHIDHJG-UHFFFAOYSA-N 250.250 1.548 0 30 CDAC CC1=CC(Br)(Br)C(=O)O1 223460026 MEGQTFKFFDXBGH-UHFFFAOYSA-N 255.893 1.933 0 30 CDAC Cn1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)n1 394825978 KLDGSLZMQZNDLR-KGLIPLIRSA-N 285.347 1.720 0 30 CDAC COc1ccc2c(c1)CC[C@H](C(=O)CCC(=O)O)C2=O 100073492 KSHMLERHMKIIQC-GFCCVEGCSA-N 276.288 1.874 0 30 CDAC COC1[C@H]2CNC[C@H]1CN(C(=O)OC(C)(C)C)C2 103382732 QILUFGLRQGVEAR-UWVGGRQHSA-N 256.346 1.088 0 30 CDAC O=C(NC(=O)c1cccc(=O)o1)Oc1ccccc1 107528 GYJWRNHDPFNLFI-UHFFFAOYSA-N 259.217 1.569 0 30 CDAC Cc1noc([C@@H]2CCCO[C@H]2C2CCNCC2)n1 675050868 VMPGZFNBEQRWOR-NEPJUHHUSA-N 251.330 1.640 0 30 CDAC O=C1CCCc2[nH]nc(I)c21 238587689 ZHUSINRWSCYMFY-UHFFFAOYSA-N 262.050 1.533 0 30 CDAC COC(=O)[C@@]12CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C2 712811259 UXSZAVAYIFFBBB-IINYFYTJSA-N 284.356 1.006 0 30 CDAC COC(=O)[C@H](C)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 139825729 YESVEVMVKPHDFA-OUAUKWLOSA-N 287.356 1.556 0 30 CDAC CCOC(=O)c1c(N(C)S(C)(=O)=O)sc(C)c1C 126380 COHMVVGTXMYNHA-UHFFFAOYSA-N 291.394 1.937 0 30 CDAC CCOC(=O)CC[C@H](CO)NC(=O)OC(C)(C)C 115727754 YJJLBIIKYNSDRO-SECBINFHSA-N 261.318 1.215 0 30 CDAC NS(=O)(=O)c1cc2c(cc1Br)CCN2 149647153 SZBLIZSUBDJGIB-UHFFFAOYSA-N 277.143 1.065 0 30 CDAC O=C(Cc1ccccc1)N[C@H](C(=O)O)c1ccc(O)cc1 33604938 VYRLGZVBBQVMRK-HNNXBMFYSA-N 285.299 1.877 0 30 CDAC O=C(O)CSCC(=O)Nc1cccc(F)c1C(=O)O 118174 DJMXIBYXMXABIJ-UHFFFAOYSA-N 287.268 1.280 0 30 CDAC Oc1ccc([C@@H]2Oc3cccc(O)c3[C@@H](O)[C@H]2O)cc1 85933430 FQIDJQGHFXTFEN-KFWWJZLASA-N 274.272 1.626 0 30 CDAC CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)O)CCC2)C1 950757568 VXFMSOGCEJMTQC-UHFFFAOYSA-N 271.313 1.223 0 30 CDAC CCOC(=O)C(=O)CC(=O)c1ccc2c(c1)OCO2 100476874 ZYJILSFACFQGEV-UHFFFAOYSA-N 264.233 1.120 0 30 CDAC CN1CCC(n2cc3cc(F)cc(C(N)=O)c3n2)CC1 118492894 NATZVWIJAFZCRP-UHFFFAOYSA-N 276.315 1.541 0 30 CDAC CC1=NN(c2cccc(Br)c2)S(=O)(=O)C1 39325675 RINCAIVZAWAFTF-UHFFFAOYSA-N 289.154 1.975 0 30 CDAC C[C@]12C=C3OC(=O)C(CO)=C3C[C@@H]1[C@H](CO)[C@@H]1C[C@@H]12 257555089 ULWLTEZXDAFDPV-CEGJCCPISA-N 262.305 1.000 0 30 CDAC biogenic CC(=O)N[C@@H](Cc1ccc(OC(F)F)cc1)C(=O)O 128270 IQVKMJDBXHBGNR-JTQLQIEISA-N 273.235 1.420 0 30 CDAC CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]2O)N1C(=O)OC(C)(C)C 100130924 OQSAJJZJGXXGDD-YFKTTZPYSA-N 299.367 1.698 0 30 CDAC in-vitro CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](O)[C@H]2OC(C)(C)O[C@@H]12 36461589 MLAAITQWGLZZQG-VPOLOUISSA-N 285.340 1.331 0 30 CDAC O=C(NCc1cccnc1)c1cnc2ccccc2n1 129945 DXRBOJFUNWOHCE-UHFFFAOYSA-N 264.288 1.955 0 30 CDAC COC(=O)C(C)(C)Oc1ccc2c(c1)O[C@H](CO)CC2 72232938 VPWKNYJKOYMTBZ-LBPRGKRZSA-N 280.320 1.703 0 30 CDAC CCOC(=O)[C@@H]1C(=O)C2(CCC2)N1C(=O)OC(C)(C)C 2265384677 HYBNGBWBIFBZKS-VIFPVBQESA-N 283.324 1.661 0 30 CDAC CCOC(=O)[C@@H](N)CC1CN(C(=O)OC(C)(C)C)C1 261149636 RDTOLONKRFHGDV-JTQLQIEISA-N 272.345 1.134 0 30 CDAC CC1(C)N=C(N)N=C(N)N1c1ccccc1C(F)(F)F 71375 NQJSJMOZDIIQHJ-UHFFFAOYSA-N 285.273 1.891 0 30 CDAC O=C(O)CSc1nnc2n1-c1ccc(Cl)cc1NN2 1038999 AESHCLNJHZAXBX-UHFFFAOYSA-N 297.727 1.850 0 30 CDAC CNS(=O)(=O)c1cc(Cl)sc1C(=O)O 58827145 SRXBPROHRKDGBA-UHFFFAOYSA-N 255.704 1.008 0 30 CDAC COC(=O)Cc1ncc2ccc(Br)cn12 260235428 KQFPKDXLAVCGLY-UHFFFAOYSA-N 269.098 1.812 0 30 CDAC Cc1cc(CNC(=O)c2cc(F)cc3c2OCOC3)no1 4389225 LLXVSWBNQOWGPS-UHFFFAOYSA-N 292.266 1.919 0 30 CDAC COC(=O)[C@@H]1CC(=O)N/C(=N\c2ccccc2OC)S1 32273155 RQDFIFAALCHACI-JTQLQIEISA-N 294.332 1.477 0 30 CDAC CCOC(=O)[C@@H]1C[C@@H]1NC(=O)OCc1ccccc1 95831122 YLPHGKPNNZKULJ-NEPJUHHUSA-N 263.293 1.864 0 30 CDAC C[C@H]1CN(c2ccc(NC(=S)NN)cc2)C[C@H](C)O1 172790 KAWDXZHLQDOTAW-UWVGGRQHSA-N 280.397 1.460 0 30 CDAC O=C(O)CCC1=NS(=O)(=O)c2cc(Cl)ccc2N1 34069239 KTIZKXDMCZKZTJ-UHFFFAOYSA-N 288.712 1.718 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](N)C(F)(F)CC1 950757396 YUTCOHXJWJSWSE-QMMMGPOBSA-N 250.289 1.980 0 30 CDAC Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O 3874611 LRUUNMYPIBZBQH-UHFFFAOYSA-N 261.064 1.436 0 30 CDAC in-vitro COc1ccc(Cl)c2[nH]cc(C(=O)O)c(=O)c12 36075609 RCAVPFROKGYYQI-UHFFFAOYSA-N 253.641 1.888 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccccc1OCC1CC1 604972777 OYULJGXCIIUYPB-UHFFFAOYSA-N 292.184 1.729 0 30 CDAC O[C@@]1(C(F)(F)F)CC(c2ccc3c(c2)OCO3)=NN1 171521 DDEWDUHTODODBO-SNVBAGLBSA-N 274.198 1.364 0 30 CDAC NC1=N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1 173756 HVZBMAKCDGCFLE-KBPBESRZSA-N 265.316 1.897 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1CCOCC1 69550917 KOFSOJKSHJDJJT-SNVBAGLBSA-N 273.329 1.733 0 30 CDAC Cc1noc2cccc(B(O)OC(C)(C)C(C)(C)O)c12 1081098312 HWPVUTRSPSUUNH-UHFFFAOYSA-N 277.129 1.390 0 30 CDAC Cc1ccccc1OCCOCCOCCOCCO 38614915 MSFSWHVXTQFZPI-UHFFFAOYSA-N 284.352 1.416 0 30 CDAC CC(C)(C)OC(=O)N1CCC([C@@H](N)CCO)CC1 95083484 IWVVFOKZRXTWIN-NSHDSACASA-N 258.362 1.343 0 30 CDAC Cc1nnsc1C(=O)Nc1ccc2c(c1)C(=O)OC2 146661 IOOSXUSGTOJOMI-UHFFFAOYSA-N 275.289 1.769 0 30 CDAC O=C(O)[C@H]1SCCN1C(=O)c1ccc(Cl)cc1 168016 FQGHSDUCZGIUPQ-SNVBAGLBSA-N 271.725 1.940 0 30 CDAC CCOC(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 56316612 BSVPGDMFRZGWHM-LLVKDONJSA-N 286.372 1.539 0 30 CDAC COc1cc(CCNC(C)=O)ccc1OC(C)=O 32190134 WJLSQKNRORLRIX-UHFFFAOYSA-N 251.282 1.299 0 30 CDAC CN(C)Cc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 200325553 AZXMNSTZODZEHU-UHFFFAOYSA-N 279.189 1.002 0 30 CDAC CO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12 584641201 WQWUFYGKJQHKJL-YFKPBYRVSA-N 255.661 1.788 0 30 CDAC COC(=O)[C@@]1(c2ccc(Br)cc2)CCNC1 261225879 NBSUUYLAPIUZDI-LBPRGKRZSA-N 284.153 1.853 0 30 CDAC CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)OC(C)(C)C)C1 675078198 BXBFBEGTTYTDAT-IUCAKERBSA-N 259.302 1.486 0 30 CDAC O=C(c1ccccc1C(=O)n1ccnc1)n1ccnc1 5117302 PJWURJVLYPGKCO-UHFFFAOYSA-N 266.260 1.457 0 30 CDAC CCOC(=O)[C@@H](F)SCC(=O)OC(C)(C)C 130556191 FOVXEGQNMQZSBO-QMMMGPOBSA-N 252.307 1.920 0 30 CDAC C[Si](C)(C)[Si](CC(=O)O)(CC(=O)O)CC(=O)O 223531871 NFMVNNVADADJQM-UHFFFAOYSA-N 278.409 1.106 0 30 CDAC C[C@H](O)COc1ccc(Br)cc1C(N)=O 138194363 GWNIMRXOQQOZJL-LURJTMIESA-N 274.114 1.308 0 30 CDAC COc1cc(Br)ccc1[C@@H](N)C(=O)O 96885171 SUPHFMGQTWCOBY-MRVPVSSYSA-N 260.087 1.542 0 30 CDAC CNc1ccc(N)cc1CN(C)C(=O)C(F)(F)F 5115530 ZFICTJPREGUDOV-UHFFFAOYSA-N 261.247 1.831 0 30 CDAC CSc1nnc(CNC(=O)OC(C)(C)C)n1C 171468 AVKLZRNEPPSALC-UHFFFAOYSA-N 258.347 1.562 0 30 CDAC CCOC(=O)c1nc(Br)n2c1COCC2 2265383659 MCWFLZBLBNUDFN-UHFFFAOYSA-N 275.102 1.353 0 30 CDAC O=S(=O)(NC1CCNCC1)c1cccc2cnccc12 6745130 WCBNYLIBBZMXKA-UHFFFAOYSA-N 291.376 1.265 0 30 CDAC O=C1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 93394593 WSAABNWLFCCJKP-UHFFFAOYSA-N 259.183 1.891 0 30 CDAC CCOC(=O)CON=C(C)c1sc2ncnn2c1C 254400665 NPPROKBOGFJFJE-UHFFFAOYSA-N 282.325 1.403 0 30 CDAC O=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 1845685 XCTDPFHKIGVRLA-UHFFFAOYSA-N 283.334 1.512 0 30 CDAC CN(Cc1ccc(Br)cc1)S(C)(=O)=O 42221494 SDPWSHVUDNRKNT-UHFFFAOYSA-N 278.171 1.841 0 30 CDAC O=C(ON=C1CCS(=O)(=O)c2sccc21)C1CC1 254513472 DQPNFSVKZQFQBK-UHFFFAOYSA-N 285.346 1.583 0 30 CDAC Cc1ncnc2[nH]cc(I)c12 147917659 IRFXXDSBEORTMT-UHFFFAOYSA-N 259.050 1.871 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccc2ncccc12 199348345 CAVNLHNDXPJWBY-UHFFFAOYSA-N 273.141 1.488 0 30 CDAC CCc1cccc(C)c1N(C(=O)CO)[C@@H](C)COC 5956572 YRHZCHBPHOEWCA-LBPRGKRZSA-N 265.353 1.918 0 30 CDAC NS(=O)(=O)Cc1cc(F)ccc1Br 38136982 ZKHTVISCTJPFNU-UHFFFAOYSA-N 268.107 1.377 0 30 CDAC CCOC(=O)C(=CN(C)C)C(=O)c1ccc(Cl)nc1 4038351 AZJVTESGPQVGHB-UHFFFAOYSA-N 282.727 1.926 0 30 CDAC c1cc2c(cc1[C@H]1NN=C3C4CCN(CC4)[C@H]31)OCO2 20421365 OQPDZSYJAMIZHS-HUUCEWRRSA-N 271.320 1.510 0 30 CDAC O=C(O)Cc1csc(N2C(=O)c3ccccc3C2=O)n1 22219765 OZKKWHLECXKXAJ-UHFFFAOYSA-N 288.284 1.571 0 30 CDAC C[C@@H]1OCC2(CCNCC2)[C@@H]1NC(=O)OC(C)(C)C 1857776008 NAKXVJZOCXPVBD-WDEREUQCSA-N 270.373 1.668 0 30 CDAC O=C(Cc1nn[nH]n1)Nc1cc(Cl)cc(Cl)c1 91099 RFJZGCLWJNRBHT-UHFFFAOYSA-N 272.095 1.688 0 30 CDAC Cc1noc(C(=O)O)c1I 206643220 COJDAYBKEXICHI-UHFFFAOYSA-N 252.995 1.286 0 30 CDAC COC(=O)CCN(CCC(=O)OC)c1cccc(C)c1 41434164 VFPXZBJPIRXBGE-UHFFFAOYSA-N 279.336 1.928 0 30 CDAC CSC1=NC(=Cc2ccc(-n3cncn3)cc2)C(=O)N1 2265276403 KSXNSCQBHUJUPM-UHFFFAOYSA-N 285.332 1.457 0 30 CDAC CCn1nnc(Br)c1Br 204877309 SXXZCRDVXXAQDK-UHFFFAOYSA-N 254.913 1.823 0 30 CDAC CCOC(=O)c1cnn2c(-c3cccnc3)ccnc12 38352062 KLXYUNAHHFTWCI-UHFFFAOYSA-N 268.276 1.968 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](O)[C@@H]2OC(C)(C)O[C@@H]21 214378860 MLAAITQWGLZZQG-YTWAJWBKSA-N 285.340 1.331 0 30 CDAC COc1ccccc1NC(=S)NCCC(=O)O 90062 OJBUYDMNSYMKLP-UHFFFAOYSA-N 254.311 1.456 0 30 CDAC O=S(=O)(c1ccc(N2CCNCC2)cc1)C(F)(F)F 35355016 ANLJCXQUPUPXST-UHFFFAOYSA-N 294.298 1.390 0 30 CDAC C[C@H](CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O 13099126 UBBSLIBPXCFHDN-XGEHTFHBSA-N 258.343 1.043 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 58040713 MCGRQQABSNLPCL-GFCCVEGCSA-N 297.399 1.065 0 30 CDAC Cc1cc(Cl)ccc1NC(=S)NC(C)(CO)CO 72917 HQUMRQLVEWJNRS-UHFFFAOYSA-N 288.800 1.678 0 30 CDAC CCOC(=O)CC(=O)Nc1c(C)csc1C(=O)OC 81998 KHTMQYNLCVVWBV-UHFFFAOYSA-N 285.321 1.735 0 30 CDAC N#CCC(=O)NN=C(CC(=O)C(F)(F)F)C(F)(F)F 254340999 HQKDNFHOTSKGTA-UHFFFAOYSA-N 289.135 1.456 0 30 CDAC CCOC(=O)c1nn2c(c1Br)COCC2 97694363 AJJRAHSQURWFKC-UHFFFAOYSA-N 275.102 1.353 0 30 CDAC CC(C)CCCCCOC(=O)CSC[C@@H](O)CO 5758437 SHQAGQOCMDSNQH-LBPRGKRZSA-N 278.414 1.832 0 30 CDAC O=S(c1cc(O)cc(O)c1)c1cc(O)cc(O)c1 6091361 QGUGHEPTGGWCBY-UHFFFAOYSA-N 266.274 1.676 0 30 CDAC O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1 15444121 AFSTXOFGJISYRS-UHFFFAOYSA-N 280.287 1.813 0 30 CDAC N#C/C(=N\NC(=N)N)c1ccc(Cl)cc1Cl 38648279 CKIGTEMDGSRWLP-OVCLIPMQSA-N 256.096 1.704 0 30 CDAC CCC[C@]1(C)O[P@]2(=O)ON(NC(=O)C(C)(C)O2)C1=O 96332190 CZUNGSDNEWWVKO-APBUJDDRSA-N 292.228 1.284 0 30 CDAC COC(=O)[C@@H]1Cc2cccc(Br)c2O1 685951872 KAEODORRRIFSNQ-QMMMGPOBSA-N 257.083 1.926 0 30 CDAC CCCCC[C@H]([C@@H](CCO)CC(=O)O)N1C=NCC1 585138851 OPKMDTROCAVYII-QWHCGFSZSA-N 270.373 1.753 0 30 CDAC CSc1nc(N)nc([C@H]2COc3ccccc3O2)n1 171098 DMNAQOLBXGTQSB-SECBINFHSA-N 276.321 1.688 0 30 CDAC Cc1ccc(Oc2ncccc2C(=O)NCC(=O)O)cc1 4300669 IBWWIXNURQGRFH-UHFFFAOYSA-N 286.287 1.997 0 30 CDAC CO[C@H]1CN[C@H](Cn2ccc(NC(=O)OC(C)(C)C)n2)C1 708170484 VCZRYXZJQVQQDT-WDEREUQCSA-N 296.371 1.607 0 30 CDAC Cn1nc(Cc2n[nH]c(=S)n2C)c2ccccc2c1=O 15919724 VPSLEPPIUKTYLR-UHFFFAOYSA-N 287.348 1.315 0 30 CDAC Cc1cccc(NC2=NC(CO)(CO)CS2)c1 102835 KSWYEBGKYWFBJV-UHFFFAOYSA-N 252.339 1.233 0 30 CDAC O=C(N[C@@H]1COC[C@@H](O)C1)OCc1ccccc1 143810979 TWEONXIENGFSEX-RYUDHWBXSA-N 251.282 1.063 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc2c(c1)COC(=O)N2 2265362203 GCXHUIZWOTXYIV-UHFFFAOYSA-N 293.128 1.002 0 30 CDAC C[C@@H]1CNCC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 503822127 WEHHGDMMOQMIKQ-KYOSRNDESA-N 275.352 1.567 0 30 CDAC CSCC[C@H](NC(=O)c1ccsc1)C(=O)O 6019735 AQCNLDXJHBQKRG-QMMMGPOBSA-N 259.352 1.684 0 30 CDAC CCOC(=O)[C@H]1CCC(=O)[C@H](C(=O)C(F)(F)F)C1 100443538 GRCQBCQNPYZWLS-NKWVEPMBSA-N 266.215 1.666 0 30 CDAC CN(C)C=C(C(=O)c1ccc(F)cc1)S(C)(=O)=O 6183430 MDDQZMJZJUBJNV-UHFFFAOYSA-N 271.313 1.456 0 30 CDAC CC(C)Oc1cc(N2CCN(C)CC2)ccc1NC=O 150336241 SFTPOZBNUGVPLB-UHFFFAOYSA-N 277.368 1.794 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCNCC2)C1 258519121 LXBSANNSCSHVDB-NWDGAFQWSA-N 269.389 1.337 0 30 CDAC COC(=O)[C@H]1C(=O)CC[C@]2(C)[C@@H]1CCCC21OCCO1 32099196 KBPIQZZVOJDKAJ-MPKXVKKWSA-N 282.336 1.688 0 30 CDAC CCCOCN1C(=O)c2ccccc2S1(=O)=O 32233562 VKHXXFXUKPPSBM-UHFFFAOYSA-N 255.295 1.215 0 30 CDAC COc1ccc(CC(=O)C(=O)O)cc1Br 38052338 DCMRCVVYEZMQRZ-UHFFFAOYSA-N 273.082 1.654 0 30 CDAC COC(=O)[C@@H]1CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 95930202 AFVJQNPGRDLPCM-RKDXNWHRSA-N 287.312 1.260 0 30 CDAC C[C@H]1CN(c2ccc(N)cc2C(=O)O)C[C@H](C)O1 139754 NVWAXHKIRNMEJB-IUCAKERBSA-N 250.298 1.581 0 30 CDAC COC(=O)c1c(OC)c2ccccc2n1CCN(C)C 33874813 GHOGTEYMOLOESX-UHFFFAOYSA-N 276.336 1.998 0 30 CDAC O=C(c1cccc(Br)n1)n1ccnc1 140442786 UMXRLQMZCIXIPN-UHFFFAOYSA-N 252.071 1.729 0 30 CDAC CC(C)(C)OC(=O)N1CCc2[nH]ccc2[C@H]1C(=O)O 642881849 WNLRCSZFRJPSEM-JTQLQIEISA-N 266.297 1.934 0 30 CDAC OCCOCCOCCOCCOc1ccccc1 5934005 RGRVGOMPHMWMJX-UHFFFAOYSA-N 270.325 1.108 0 30 CDAC COC(=O)c1[nH]nc(C(F)(F)F)c1Br 238802290 UBNAAWVCLXVQJV-UHFFFAOYSA-N 273.008 1.978 0 30 CDAC CC(C)(C)OC(=O)NC[C@@]1(C2CCOCC2)CCNC1 381908489 JNFWOYYSGOIYRI-OAHLLOKOSA-N 284.400 1.917 0 30 CDAC Cn1ncc(Br)c1I 642885291 CBDGEVUWTIOTOH-UHFFFAOYSA-N 286.898 1.787 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cnc(Cl)c(Cl)c1 2265356031 NNHJBIUELYBJPC-UHFFFAOYSA-N 291.971 1.642 0 30 CDAC COC(=O)CSCc1n[nH]c(=O)c2ccccc12 170817 MTOQVXDKMWUUAX-UHFFFAOYSA-N 264.306 1.329 0 30 CDAC Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1 113169299 WERBLSTTYYZKKS-UHFFFAOYSA-N 297.633 1.250 0 30 CDAC Nc1ccc(Oc2ccc(N)cc2S(=O)(=O)O)cc1 118084768 QRIVRJBZKGQYKV-UHFFFAOYSA-N 280.305 1.890 0 30 CDAC COC[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 307563019 MCVXVAOZGZKJGE-QWHCGFSZSA-N 265.309 1.405 0 30 CDAC CCOC(=O)[C@]12C[C@@H]1CCN2C(=O)OC(C)(C)C 953018972 VQHDFROXQHCGAZ-ZANVPECISA-N 255.314 1.949 0 30 CDAC Nc1c(I)cnn1C[C@H]1CCOC1 43666761 GUKNFEOQRDXVLR-ZCFIWIBFSA-N 293.108 1.106 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(CSCC2=O)C1 2265385607 PZVGZLOMUVZVAR-LBPRGKRZSA-N 257.355 1.930 0 30 CDAC CC(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 21963113 OFBAKOZWMFQFIW-LBPRGKRZSA-N 265.309 1.550 0 30 CDAC CCOC(=O)[C@@H]1OC(C)(CC)O[C@H]1C(=O)OCC 59023921 AYFLBJXOABTRSI-RKDXNWHRSA-N 260.286 1.023 0 30 CDAC CN(C)CCN1c2ccccc2C(=O)N[C@H]1c1ccccn1 1995499 OYMBJBZLKALTEW-MRXNPFEDSA-N 296.374 1.892 0 30 CDAC Nc1ccc2oc(=O)c(CC(=O)N3CCCC3)cc2c1 2017402 OFRNKOKLZFJGLM-UHFFFAOYSA-N 272.304 1.540 0 30 CDAC COC(=O)c1ccc(OC[C@H](O)CNC(C)C)c(OC)c1 827 MKDCAESMSRQHIN-GFCCVEGCSA-N 297.351 1.220 0 30 CDAC Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)nn1C 1025826 GJZWQIVQRGJVMQ-LLVKDONJSA-N 287.319 1.298 0 30 CDAC O=C(O)C[C@H]1CCn2c(cnc2Br)C1 212581824 JTHWHWCHRFODNW-LURJTMIESA-N 259.103 1.683 0 30 CDAC CCOC(=O)C[C@H](C(=O)CC(C)C)C(=O)OCC 106490695 XMDXGGONIHRFLJ-SNVBAGLBSA-N 258.314 1.734 0 30 CDAC Cn1ccc(NC(=O)c2cccc3nsnc23)n1 12340985 TVBUUKPORDCUAG-UHFFFAOYSA-N 259.294 1.677 0 30 CDAC CCOC(=O)[C@@H]1C[C@H]1NC(=O)OCc1ccccc1 36460794 YLPHGKPNNZKULJ-VXGBXAGGSA-N 263.293 1.864 0 30 CDAC COC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 34319698 NCALQERIBRYGOK-RYUDHWBXSA-N 295.335 1.786 0 30 CDAC C[C@@H](O)COc1ccc(C(=O)CO)c2ccccc12 1855890 DEVJBGWNDCATIL-SNVBAGLBSA-N 260.289 1.774 0 30 CDAC CCOC(=O)C(F)(F)c1[nH]c(=N)sc1Cl 2265383570 BSOVSVAQKLAZPI-UHFFFAOYSA-N 256.661 1.864 0 30 CDAC CC(C)(C)OC(=O)NCCC1(CCC(=O)O)N=N1 721371467 RNLSZNAODQDGQC-UHFFFAOYSA-N 257.290 1.928 0 30 CDAC Nc1nn(Cc2ccc(C(=O)O)cc2)cc1Br 94657313 GSACDKNVNSTTCH-UHFFFAOYSA-N 296.124 1.974 0 30 CDAC NS(=O)(=O)OCCc1ccc(Br)cc1 1546718 RJGHULXYXZEDSD-UHFFFAOYSA-N 280.143 1.212 0 30 CDAC O=CN1C[C@@H](F)C[C@@H](C(=O)OCc2ccccc2)C1 642880695 NSFHYUUBLILBSE-OLZOCXBDSA-N 265.284 1.546 0 30 CDAC Cc1c(C(=O)O)nnn1Cc1ccc2ncccc2c1 50215198 HQFMDFSCQFFDHB-UHFFFAOYSA-N 268.276 1.881 0 30 CDAC Nc1ccccc1N1CCC=C(N2CCOCC2)C1=O 214494619 KSUXTUAOCISKEL-UHFFFAOYSA-N 273.336 1.222 0 30 CDAC Cn1nnc(Br)c1I 575464825 SXNWJBODHJGGHG-UHFFFAOYSA-N 287.886 1.182 0 30 CDAC COC(=O)[C@@H]1C[C@@H]2c3ccccc3N[C@H]2N1C(=O)OC 200956840 UNJSYLFJPUKBGL-USWWRNFRSA-N 276.292 1.536 0 30 CDAC C=CC(=O)OCCOC(=O)c1ccccc1C(=O)O 2539596 RKYJPYDJNQXILT-UHFFFAOYSA-N 264.233 1.271 0 30 CDAC CS(=O)(=O)[C@H]1Cc2cc(Br)ccc2[C@@H]1N 2265384440 BXWABQFMXWSNIX-UWVGGRQHSA-N 290.182 1.418 0 30 CDAC COC(=O)/C=C/c1ccccc1OC[C@H](O)CNC(C)C 150 LWRSDAUWAOJRPA-MYSGNRETSA-N 293.363 1.611 0 30 CDAC in-man CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H]1CCCCO1 695031008 JWTOLTDCGMMLII-DTWKUNHWSA-N 259.302 1.533 0 30 CDAC CC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 34582689 XZOQUSRTXCAWRN-UHFFFAOYSA-N 278.127 1.299 0 30 CDAC O=C(NCCCN1CCCC1)c1cc(Cl)ccn1 37979658 IQWBGXUKXXCOEE-UHFFFAOYSA-N 267.760 1.951 0 30 CDAC COc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)O)cc1 87162 TXOUMWIJXYABHL-GFCCVEGCSA-N 276.292 1.750 0 30 CDAC CS(=O)(=O)c1cc(I)c[nH]1 148656154 RWLIUBXWGLSMFD-UHFFFAOYSA-N 271.079 1.023 0 30 CDAC COCCN(CCOC)C[C@H](N)Cc1ccccc1 48895634 WYXYPMLBMCSUSU-OAHLLOKOSA-N 266.385 1.151 0 30 CDAC Cc1noc(C)c1S(=O)(=O)N1CCSCC1 111926 FNHUETCDMADMOZ-UHFFFAOYSA-N 262.356 1.029 0 30 CDAC O=C(O)[C@@H]1C2CCC(Br)(CC2)[C@H]1C(=O)O 3128037 UBYOBZLYTYDIOS-ZBFMHRLGSA-N 277.114 1.726 0 30 CDAC CC(C)(C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 34959270 BKPLADZUDINSCL-UHFFFAOYSA-N 290.410 1.100 0 30 CDAC in-vitro Ic1ccn(C2CCOCC2)n1 86789108 JPZBWUVYDFTMCM-UHFFFAOYSA-N 278.093 1.839 0 30 CDAC COc1ccc(-n2nnc3cnc(Cl)nc32)cc1 217510025 IWTUSMBWCYJNMO-UHFFFAOYSA-N 261.672 1.873 0 30 CDAC Nc1c(I)cnn1C[C@@H]1CCOC1 43666760 GUKNFEOQRDXVLR-LURJTMIESA-N 293.108 1.106 0 30 CDAC O[C@]1(C(F)(F)F)CC(c2ccc3c(c2)CCO3)=NN1 114673 YYECUDPGGVBZTK-NSHDSACASA-N 272.226 1.570 0 30 CDAC COc1ccc(Cl)cc1NC(=O)COCC(=O)O 102372 QYWYPTPQYFPEKA-UHFFFAOYSA-N 273.672 1.388 0 30 CDAC CCc1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 131014 ABRHDTODPDOIKT-CYBMUJFWSA-N 296.392 1.196 0 30 CDAC CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H](O)C1 22013866 CVBLNNNHPBYDIV-TVQRCGJNSA-N 273.329 1.358 0 30 CDAC Cc1cc(OC[C@H]2CCCO2)ccc1S(N)(=O)=O 70042818 NBZITZKOYCHUDP-LLVKDONJSA-N 271.338 1.200 0 30 CDAC in-vitro C=C(C)C(=O)OCCOC(=O)[C@H]1CCCC[C@]1(C)C(=O)O 142052518 PZYDJJGYMJPKPS-ABAIWWIYSA-N 298.335 1.930 0 30 CDAC O=C1CNC[C@@H](C(c2ccccc2)c2ccccc2)N1 39133677 KLBLBZBRTDRSAD-HNNXBMFYSA-N 266.344 1.907 0 30 CDAC COC(=O)[C@@H]1C[C@H]2c3ccccc3N[C@H]2N1C(=O)OC 200956870 UNJSYLFJPUKBGL-DLOVCJGASA-N 276.292 1.536 0 30 CDAC CCOC(=O)c1cnc(NNC)nc1C(F)(F)F 116078 KAGRGBMGRXRNDK-UHFFFAOYSA-N 264.207 1.218 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C12CCOCC2 725378339 HMHYBCRJLNPUMK-VHSXEESVSA-N 257.330 1.441 0 30 CDAC CC(=O)N[C@@H](CS[C@H](CO)c1ccccc1)C(=O)O 5167427 XVYIBLSMGFJYAR-NWDGAFQWSA-N 283.349 1.043 0 30 CDAC in-vitro CN(C)C=C1CCN(c2ccc([N+](=O)[O-])cc2)C1=O 5197683 DMEHJAKXNVOKBN-UHFFFAOYSA-N 261.281 1.777 0 30 CDAC CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CC12CCOCC2 2265385172 LMXGEMRRACFTAO-SECBINFHSA-N 271.313 1.630 0 30 CDAC CC(C)(C)OC(=O)N1CCO[C@H]2C(CN)=CC[C@@H]21 514269619 NTYIHSHJYHJGGG-QWRGUYRKSA-N 254.330 1.280 0 30 CDAC O=C(O)CSCC(=O)Nc1nnc(C2CC2)s1 155096 LWXGSJAADQVHBU-UHFFFAOYSA-N 273.339 1.172 0 30 CDAC C[C@]1(O)OC(C(F)(F)F)(C(F)(F)F)CC1=O 1852784 MWYNNQGRHMWJIV-BYPYZUCNSA-N 252.110 1.548 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(C=O)C2 258056309 SBCINECNFPBIMS-GHMZBOCLSA-N 255.314 1.600 0 30 CDAC O=C1C[C@@]2(CC[C@H](NC(=O)OCc3ccccc3)C2)CN1 888084851 FLYMQNGAJZOPEA-BBRMVZONSA-N 288.347 1.972 0 30 CDAC C[C@@H]1CC2(C[C@@H](C)O1)C(=O)NC(=O)c1ccccc12 95876484 STVRKNODLUFAKS-NXEZZACHSA-N 259.305 1.782 0 30 CDAC CCOC(=O)[C@@H]1CNCCC12CN(C(=O)OC(C)(C)C)C2 642882041 WVVJCSWSUQMJTO-NSHDSACASA-N 298.383 1.396 0 30 CDAC COC(=O)NC(=S)Nc1ccccc1NC(=O)OC 2507534 POWCBWCFIQLMQB-UHFFFAOYSA-N 283.309 1.918 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1CCOCC1 69550913 KOFSOJKSHJDJJT-JTQLQIEISA-N 273.329 1.733 0 30 CDAC CCC[C@]1(C)O[P@@]2(=O)ON(NC(=O)C(C)(C)O2)C1=O 96332188 CZUNGSDNEWWVKO-OVWNDWIMSA-N 292.228 1.284 0 30 CDAC Cc1cc2c(N)ncc(I)n2n1 2265384892 FDMFSFJPUVIFTD-UHFFFAOYSA-N 274.065 1.225 0 30 CDAC Cc1ccc(S(=O)(=O)Nc2ccnn2C)cc1 116627 RYKYYPGORNYZAE-UHFFFAOYSA-N 251.311 1.529 0 30 CDAC O=C(CSc1nnc2ncccn12)Nc1nccs1 1365375 OTMFVKQMHOLGEM-UHFFFAOYSA-N 292.349 1.312 0 30 CDAC COCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cn2)n1 13469769 LWHDDLYPZRJGCV-UHFFFAOYSA-N 285.225 1.997 0 30 CDAC Nc1nc2cc[nH]c2c(=O)n1COCc1ccccc1 71973370 RERCCUSVCCXBNQ-UHFFFAOYSA-N 270.292 1.481 0 30 CDAC C/C=C/c1cc(OC)c(OS(=O)(=O)O)c(OC)c1 31707203 XVHJVMUAOLCXNP-SNAWJCMRSA-N 274.294 1.919 0 30 CDAC Nc1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1 37368354 NAJGKCZNYWUQJD-UHFFFAOYSA-N 294.298 1.522 0 30 CDAC Nc1ccccc1OCC(O)COc1ccccc1N 3101815 RRQQEGUVNLWYAP-UHFFFAOYSA-N 274.320 1.670 0 30 CDAC CN(C)Sc1nc(SN(C)C)nc(N(C)C)n1 34064606 SVYDQUDPOZJXNM-UHFFFAOYSA-N 274.419 1.075 0 30 CDAC CCOP(=O)(CC(=O)N1CCOCC1)OCC 34396324 ZZCFGGXZJBYSDO-UHFFFAOYSA-N 265.246 1.111 0 30 CDAC CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)O)CCO1 2265347434 SNSVCJLUROZPJG-BDAKNGLRSA-N 259.302 1.391 0 30 CDAC CS(=O)(=O)c1c(Br)cccc1C(=O)O 2265381475 KWKFKDSNDIDJCT-UHFFFAOYSA-N 279.111 1.551 0 30 CDAC Cn1cc([C@@H]2[C@@H](CN)CC(=O)N2C(C)(C)C)cn1 407985685 IENAFQSVQJZSCI-SKDRFNHKSA-N 250.346 1.067 0 30 CDAC Cc1ccc(N2C[S@@](=O)C(=CN(C)C)C2=O)cc1 4642429 VCVXINGRDDJCKI-SFHVURJKSA-N 264.350 1.451 0 30 CDAC CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](N)CC2)CC1 309630634 URRCSHBKELVFHP-JOCQHMNTSA-N 283.416 1.809 0 30 CDAC COC(=O)N1CC[C@@](Nc2ccccc2)(C(N)=O)[C@@H](C)C1 33605077 OUODHLPMXVJDFG-NHYWBVRUSA-N 291.351 1.431 0 30 CDAC CCOC(=O)C1=CNC=C(C(=O)OCC)C1C(C)C 32265610 OOBWMPMEDXYJSR-UHFFFAOYSA-N 267.325 1.756 0 30 CDAC O=C(O)c1cc(Br)c2c(c1)C(=O)NCCO2 675076100 UHGGLIKPXDQJTP-UHFFFAOYSA-N 286.081 1.270 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](n2cccn2)C1 716347936 QRZDIKVRPJEMBM-NXEZZACHSA-N 253.302 1.036 0 30 CDAC CC(C)(C)OC(=O)N1CC(NC2CCC(N)CC2)C1 71336019 AAJZUXUBXOXSTB-UHFFFAOYSA-N 269.389 1.465 0 30 CDAC N[C@@H](CCCC(=O)NC(=O)OCc1ccccc1)C(=O)O 95950109 DAJNQRSAOOCCDS-NSHDSACASA-N 294.307 1.022 0 30 CDAC O[C@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]2[C@@H]2[C@@H]4[C@@H](O)[C@H]3[C@]12c1ccccc1 247743981 PJUGOTSDSWMOTQ-GNOVCAKWSA-N 254.329 1.418 0 30 CDAC COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC[C@@H](C(=O)OC)[C@H]12 142085716 SZJZYNFPYKENTG-OWSRUXPGSA-N 252.310 1.631 0 30 CDAC Cc1cc(=O)[nH]c2cc(N3C(=O)C=CC3=O)ccc12 22053982 XHTNRWCYHKFZOL-UHFFFAOYSA-N 254.245 1.266 0 30 CDAC in-vitro CC(C)(C)OC(=O)NCC[C@@]1(CC(=O)O)COCCO1 756957711 DGBNAPZEFHPHAV-CYBMUJFWSA-N 289.328 1.162 0 30 CDAC O=S1(=O)CC[C@@H](c2ccc(Br)cc2)N1 675081444 CMWNNAWFFLRUNQ-VIFPVBQESA-N 276.155 1.813 0 30 CDAC COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 141500120 GPRQZXMNJPBEMW-VIFPVBQESA-N 271.313 1.376 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C12CCOCC2 725378338 HMHYBCRJLNPUMK-UWVGGRQHSA-N 257.330 1.441 0 30 CDAC O=C(O)CSCC(=O)Nc1cc(-c2ccccc2)n[nH]1 8553777 IUPLMLDFYWUBEI-UHFFFAOYSA-N 291.332 1.833 0 30 CDAC O=C(O)[C@H]1CNCCN1Cc1cccc(Cl)c1 75203627 QNYKWXUXHHISAE-LLVKDONJSA-N 254.717 1.198 0 30 CDAC COc1ccccc1-c1cn(C(C)(C)C(=O)O)nn1 81479602 RAQDHGRPKNGJPG-UHFFFAOYSA-N 261.281 1.773 0 30 CDAC COC(=O)c1ccc2c(c1)CC[C@]1(CCCNC1=O)C2 585164153 QWFFHPIDIXTTDL-MRXNPFEDSA-N 273.332 1.858 0 30 CDAC CC(C)O[C@@H]1OC(=O)[C@@H]2OC3(CCCCC3)O[C@H]12 65740267 JHDMODSTNDJTBT-JFGNBEQYSA-N 256.298 1.739 0 30 CDAC in-vitro CSC1=N[C@@H]2CCNC[C@H]2C(=O)N1c1ccccc1 72233073 HVKFBABTZSKOLX-VXGBXAGGSA-N 275.377 1.730 0 30 CDAC C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)c(c32)O1 2387075 OGNPPGQXASDALJ-YFKPBYRVSA-N 281.214 1.759 0 30 CDAC Cn1nc(OC(C)(C)C(=O)O)cc1C(F)(F)F 132510 YGZMDEIORUPPSN-UHFFFAOYSA-N 252.192 1.681 0 30 CDAC Cc1ncc(COC(=O)c2cccnc2)c(CO)c1O 5419349 LOZUXFQXMUUIGR-UHFFFAOYSA-N 274.276 1.340 0 30 CDAC CC(C)(C)OC(=O)N1CC(O[C@@H]2CCCNC2)C1 716271594 XYUPMDADEUSPKW-SNVBAGLBSA-N 256.346 1.374 0 30 CDAC CCOC(=O)[C@@H]1C=CCN(C(=O)OC(C)(C)C)C1 309713818 AEKRZCOPIGVYIO-SNVBAGLBSA-N 255.314 1.973 0 30 CDAC CCOC(=O)c1ccc(O[C@H]2CC[C@H](N)CC2)nc1 299907600 CDKVSCYFLSWNED-HAQNSBGRSA-N 264.325 1.907 0 30 CDAC Cc1nn(C)c2ncc(C(N)=O)c(Oc3cccnc3)c12 168543 YYZRBGZHCMBCRC-UHFFFAOYSA-N 283.291 1.563 0 30 CDAC O=C(CSc1nnc2ncccn12)NCc1ccco1 1365331 IJSLAMSIVGTRPZ-UHFFFAOYSA-N 289.320 1.126 0 30 CDAC CC[C@@H](C)C1(CC=C(C)C)C(=O)NC(=O)NC1=O 1997492 QVSDEDYPNZQZAM-SECBINFHSA-N 252.314 1.741 0 30 CDAC CCOC(=O)c1cc2ccc(S(C)(=O)=O)cc2[nH]1 259862894 ZXGQFFIQACULDO-UHFFFAOYSA-N 267.306 1.748 0 30 CDAC COc1cc(CO)c(-c2c[nH]nc2O)cc1OC 4648090 GUFIGQGNAHCHEY-UHFFFAOYSA-N 250.254 1.292 0 30 CDAC CC(C)(C)OC(=O)N1CCNC[C@@H]1CC(F)F 218024407 XKDVKJDYVHTEPG-QMMMGPOBSA-N 250.289 1.851 0 30 CDAC CNC(=O)c1cc(Br)cc2c1OCC2 169138 DDOFUAMQDQVAQE-UHFFFAOYSA-N 256.099 1.744 0 30 CDAC CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 32112226 BRGDQLWDZVGXHY-UHFFFAOYSA-N 261.730 1.841 0 30 CDAC in-vitro O=C(O)/C=C\C(=O)NCCc1ccc(Cl)cc1 100394679 ASNQTQOSQYVBIA-WAYWQWQTSA-N 253.685 1.640 0 30 CDAC CCOC(=O)c1ccc(N[C@@H](C)C(=O)N(C)C)cc1 2009292 CECRUNWWFWYXGC-JTQLQIEISA-N 264.325 1.752 0 30 CDAC NC[C@@H](O)COc1ccc(OCc2ccccc2)cc1 22164747 BUDGFVPYCANIRC-CQSZACIVSA-N 273.332 1.964 0 30 CDAC CN1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O 757185444 REEVDKPQMGJTAN-HZMBPMFUSA-N 284.356 1.260 0 30 CDAC COc1cc(-c2nnn[nH]2)ccc1Br 95191217 OPVNZQBLOFJEHG-UHFFFAOYSA-N 255.075 1.638 0 30 CDAC CC(=O)Nc1ccc(N)c2cc(S(=O)(=O)O)ccc12 1669752 HHZJYPDSTRLGEP-UHFFFAOYSA-N 280.305 1.627 0 30 CDAC NS(=O)(=O)c1cccc(NC(=O)C2CCC2)c1 4325287 BXASCOFLDQBIHR-UHFFFAOYSA-N 254.311 1.073 0 30 CDAC CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1 214860824 BEBCEUHYFOZHBR-UFBFGSQYSA-N 259.302 1.486 0 30 CDAC CCCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1 92092 KUWIUKDTAAKDFE-UHFFFAOYSA-N 281.337 1.227 0 30 CDAC CC(=O)NCCNc1ccc(Br)cn1 36746437 ZNAMWCLKWQVGPJ-UHFFFAOYSA-N 258.119 1.392 0 30 CDAC in-vitro COc1ccc(=O)n(Cc2nc3ccccc3n2C)n1 191504744 LWFXXDUWBNPUMT-UHFFFAOYSA-N 270.292 1.187 0 30 CDAC COc1ccc2nc(C(=O)O)c(Br)n2n1 212691782 DDSJYISFLMYPRD-UHFFFAOYSA-N 272.058 1.199 0 30 CDAC CCOC(=O)CCSc1nnc(S)s1 15923506 DFJAVYMZVVHEDE-UHFFFAOYSA-N 250.370 1.872 0 30 CDAC CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)O[C@@H]1N2C 898143 CNBHDDBNEKKMJH-ZFWWWQNUSA-N 291.351 1.706 0 30 CDAC biogenic,in-man CC(C)(C)OC(=O)N1CCC(c2n[nH]c(CN)n2)CC1 72236514 GJQOUBFXUZYQCM-UHFFFAOYSA-N 281.360 1.378 0 30 CDAC Nc1nc(N)nc(-c2ccccc2C(F)(F)F)n1 89790 VYXOXHFMVMZIPG-UHFFFAOYSA-N 255.203 1.722 0 30 CDAC COC(=O)c1c(C)nn(C)c1-c1snnc1C 120753 NSSFVVXDPSAVGY-UHFFFAOYSA-N 252.299 1.342 0 30 CDAC Nc1n[nH]c(NCc2ccccc2OC(F)(F)F)n1 96298552 NYPSMKOQQVABMP-UHFFFAOYSA-N 273.218 1.898 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@]2(CC1)CNC(=O)O2 118584560 HLWBAHUDEBFOOU-ZDUSSCGKSA-N 270.329 1.886 0 30 CDAC CC(C)OCC[C@H](NC(=O)OC(C)(C)C)C(N)=O 95883586 SYDVJCMDEZOODO-VIFPVBQESA-N 260.334 1.180 0 30 CDAC CCOC(=O)Nc1ccc(OC[C@@H](O)CNC2CC2)cc1 33885281 DJGMBGHVDGNMDF-ZDUSSCGKSA-N 294.351 1.747 0 30 CDAC COC[C@@H](C)N[C@H]1CC[C@H](N[C@H](C)COC)CC1 1772768888 ANMXCKKITWYSPP-AAVRWANBSA-N 258.406 1.547 0 30 CDAC CC(=O)N(CC(=O)N(C)C)c1ccc(OC(C)C)cc1 2009220 DILWMASMDXBQQW-UHFFFAOYSA-N 278.352 1.915 0 30 CDAC CC(C)(C)OC(=O)N1CC2(C[C@@H](N)c3nccn32)C1 616582121 FBWHKDGGLQUBHJ-SECBINFHSA-N 264.329 1.233 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](n2cccn2)[C@H](N)C1 958720199 CKRVWYJQJKYDHU-ZJUUUORDSA-N 252.318 1.002 0 30 CDAC C=C(C)C(=O)OCCOC(=O)[C@@H]1CCCC[C@H]1C(=O)O 33986277 GWFCWZQFUSJPRE-GHMZBOCLSA-N 284.308 1.540 0 30 CDAC CCCC[C@H](CC)CC1(C)C(=O)NC(=O)NC1=O 1843988 JGUVWCOXXGNIJL-VIFPVBQESA-N 254.330 1.965 0 30 CDAC CC(C)[C@H]1NC[C@@]12C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2 675050144 GXGHQJIMONLFGZ-RTWAVKEYSA-N 284.400 1.649 0 30 CDAC Cc1c(Cl)cccc1NC(=O)C1=NNC(=O)CC1 156613 XYXHJIHOTGUQDD-UHFFFAOYSA-N 265.700 1.853 0 30 CDAC COCCNc1ncnc2c1nnn2Cc1ccccc1 4968028 GHLYPPXZYLDRLE-UHFFFAOYSA-N 284.323 1.328 0 30 CDAC COc1cc(OC)cc(C(=O)Nc2ncccn2)c1 5512295 SLLSPQFKMFYDFU-UHFFFAOYSA-N 259.265 1.746 0 30 CDAC O=C(CCCN1CCCC1)c1c(O)cc(O)cc1O 6091255 BAWROKQOTBLQSB-UHFFFAOYSA-N 265.309 1.862 0 30 CDAC COc1cc(SCC(=O)O)c(C(=O)O)cc1OC 33506067 PYMSTJLTQHAJIG-UHFFFAOYSA-N 272.278 1.579 0 30 CDAC CC(C)(C)OC(=O)N1CC(NC[C@H]2CCCO2)C1 71335292 GMRCTYAUYKECEW-LLVKDONJSA-N 256.346 1.374 0 30 CDAC Cc1cc(C)c(NC2=NC(CO)(CO)CS2)c(C)c1 102833 YTDAKWOQVMGAOU-UHFFFAOYSA-N 280.393 1.850 0 30 CDAC NC(=O)c1nn([C@@H]2CCCCO2)cc1Br 2265385361 OCXJJZHTOPAHMJ-ZETCQYMHSA-N 274.118 1.444 0 30 CDAC NCC(=O)CCC(=O)OCc1ccc(Cl)cc1 138173279 KZMOZVJJONOTBA-UHFFFAOYSA-N 255.701 1.691 0 30 CDAC CCCCCCC1(CC)C(=O)NC(=S)NC1=O 5512610 MWKKOAYCASKCLO-UHFFFAOYSA-N 256.371 1.884 0 30 CDAC COC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)O 5751489 UTHSRMJVXNYLKG-XQHKEYJVSA-N 264.362 1.229 0 30 CDAC CC(C)(C)OC(=O)[C@@](N)(CC(=O)O)c1cccc(O)c1 83259310 KYCMTJFIIKIZHY-CQSZACIVSA-N 281.308 1.363 0 30 CDAC CCOC(=O)CC(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C 221047553 HKSPJPBJWYOPKW-SECBINFHSA-N 273.329 1.764 0 30 CDAC CN1C(=O)[C@@H]2CC[C@H](C1=O)N2C(=O)/C=C/c1ccccc1 5966039 ICGQGUKMXAOFOU-LQNHTIJISA-N 284.315 1.058 0 30 CDAC COC(=O)C1=C(Nc2ccc(O)cc2)CSC1 126593 AJOLERDMEZEYOD-UHFFFAOYSA-N 251.307 1.978 0 30 CDAC CNC(=O)c1sc2nc(C(F)(F)F)nn2c1C 1032046 KAPOAKHRXJGOQF-UHFFFAOYSA-N 264.232 1.478 0 30 CDAC O=C(NCc1ccc2c(c1)OCO2)C1CCNCC1 39320262 OIIOBGGGUXVUDA-UHFFFAOYSA-N 262.309 1.031 0 30 CDAC CC(C)(C)OC(=O)N1CCC(O)(C2(N)CC2)CC1 958709540 LTUANTFCNFMEDP-UHFFFAOYSA-N 256.346 1.240 0 30 CDAC Cc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2)no1 2147525 ORVZLTJWVNPBGR-UHFFFAOYSA-N 293.710 1.891 0 30 CDAC CC(C)C[C@@H](CNC(=O)[C@@H]1CCCCN1)CC(=O)O 88273216 YIBJJADESILGNG-NEPJUHHUSA-N 270.373 1.382 0 30 CDAC O=C1C[C@@H]2[C@@H](CCN2C(=O)OCc2ccccc2)N1 223390787 CLSSDUTXLXOEQY-VXGBXAGGSA-N 260.293 1.286 0 30 CDAC COC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 95930205 AFVJQNPGRDLPCM-IUCAKERBSA-N 287.312 1.260 0 30 CDAC COC(=O)c1ccc(Cn2nc(OC)ccc2=O)s1 188102148 RPRVVFBXIQMKFB-UHFFFAOYSA-N 280.305 1.148 0 30 CDAC C[C@@H](NC[C@H](O)c1ccc(O)c(O)c1)C(Cl)Cl 114222121 CLQDDCYCLSEGQD-LDWIPMOCSA-N 280.151 1.913 0 30 CDAC Brc1nnn(COCc2ccccc2)n1 113665540 DCHITHSRCJTYLJ-UHFFFAOYSA-N 269.102 1.610 0 30 CDAC CC(C)(C)OC(=O)c1cn([C@@H]2CCCC[C@@H]2N)nn1 725272288 KCTVAOHCDQOBEJ-GXSJLCMTSA-N 266.345 1.676 0 30 CDAC COc1ccc(=O)n(CCCOc2ccc(F)cc2)n1 188882446 LYKJHEHHDPEZMA-UHFFFAOYSA-N 278.283 1.860 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](C(=O)O)O2)C1 205260466 MSDHAJLDASVPDN-RNCFNFMXSA-N 271.313 1.630 0 30 CDAC COC(=O)[C@H]1CNCC12CCN(C(=O)OC(C)(C)C)CC2 723967277 XRMUDZVYUDATJJ-LLVKDONJSA-N 298.383 1.396 0 30 CDAC COC(=O)C(CCC(=O)OC(C)(C)C)C(=O)OC 196151279 SDNRYIGVSCTEHP-UHFFFAOYSA-N 260.286 1.071 0 30 CDAC CC(C)[C@H](OCCO)C(C)(C)COCCOCCO 5761085 PSYZTTIDPMAIDA-ZDUSSCGKSA-N 278.389 1.072 0 30 CDAC CS(=O)(=O)c1cc(CO)cc(C(F)(F)F)c1 141380258 HBIQLOSUNLJCEF-UHFFFAOYSA-N 254.229 1.601 0 30 CDAC in-vitro Nn1c(S)nnc1-c1cc(-c2ccc(F)cc2)n[nH]1 36724799 VCSCFTHOKQOOOK-UHFFFAOYSA-N 276.300 1.477 0 30 CDAC O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@H]1O 32256439 WFQPYFHXXXIGLW-HNNXBMFYSA-N 297.270 1.703 0 30 CDAC COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1 220299696 RSQHRHJTNDOFGS-QMMMGPOBSA-N 259.302 1.531 0 30 CDAC C[C@@H](S[C@H]1CC(=O)N(c2ccccc2)C1=O)C(=O)O 19765492 ARXUAWFYWSOKCR-SCZZXKLOSA-N 279.317 1.525 0 30 CDAC COc1ccc(/C=C(\NC(C)=O)C(=O)O)c(Cl)c1OC 4710222 ANXNKMUKFZCWBB-TWGQIWQCSA-N 299.710 1.919 0 30 CDAC O=C(OCc1ccccc1)N1CC[C@H](F)[C@@H](O)C1 32915019 HNBFJUNWIWJEJJ-RYUDHWBXSA-N 253.273 1.728 0 30 CDAC CN1CCN(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3O)CC1 100355442 OARPTEVCRDPFQG-GYJLLUIASA-N 264.413 1.421 0 30 CDAC CCCc1nc(C[C@H]2CCOC2)ncc1C(=O)O 130595592 ZCHCMOZVCWWXFA-SECBINFHSA-N 250.298 1.706 0 30 CDAC COC(=O)c1c(Br)cc(N)cc1OC 238802346 RDBZKGHXDMHZSV-UHFFFAOYSA-N 260.087 1.827 0 30 CDAC CCn1c(S)nnc1CCNC(=O)OC(C)(C)C 616583220 XSFITVIZQKGGDX-UHFFFAOYSA-N 272.374 1.654 0 30 CDAC S=c1nc2nc(N3CCOCC3)ncc2c(S)[nH]1 160102 DVBOIKRDMPEFRB-UHFFFAOYSA-N 281.366 1.208 0 30 CDAC CN([C@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O 4336262 KJTKDAHVWBKJDZ-ZFWWWQNUSA-N 294.420 1.640 0 30 CDAC CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@H]2N)N1C(=O)OC(C)(C)C 321352755 LXCIMGVQERDOBN-ZDCRXTMVSA-N 284.356 1.275 0 30 CDAC C[C@H]1CNCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 685945712 QVOSKYFWKLAVIU-NSHDSACASA-N 270.373 1.764 0 30 CDAC COC(=O)[C@@H]1Cc2c(ncn2C)CN1Cc1ccccc1 503853253 XNXFVYMNZLXNQB-HNNXBMFYSA-N 285.347 1.520 0 30 CDAC CSc1nn2c(=O)c(Cc3ccccc3)nnc2s1 174116 OREWEFFYEKWXOA-UHFFFAOYSA-N 290.373 1.859 0 30 CDAC Oc1nc(-c2cc(Br)c3c(c2)OCO3)no1 37926850 YESSWCDAIDOOMX-UHFFFAOYSA-N 285.053 1.933 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)O)C(=O)O 238855051 QHESFWVJLHHFJC-MRVPVSSYSA-N 261.318 1.468 0 30 CDAC O=C(CN1C(=O)CCC1=O)c1ccc(OC(F)F)cc1 157078 BWFADEPZARSZIF-UHFFFAOYSA-N 283.230 1.620 0 30 CDAC COc1cc2cc(C(=O)O)c(=O)oc2cc1OC 103696 XZPABFKZRALOPV-UHFFFAOYSA-N 250.206 1.508 0 30 CDAC CSCC[C@H](NC=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 96336381 DJDWEMRDKTYKDX-NSHDSACASA-N 297.336 1.401 0 30 CDAC CC(C)C[C@@H](CNC(=O)[C@H]1CCCCN1)CC(=O)O 88273217 YIBJJADESILGNG-VXGBXAGGSA-N 270.373 1.382 0 30 CDAC O=c1ccc2ccc(OCCCS(=O)(=O)O)cc2o1 38611190 YWFQCGUVMOLROS-UHFFFAOYSA-N 284.289 1.450 0 30 CDAC O=C1c2ccccc2C(=O)N1[C@H](CO)[C@H](O)c1ccccc1 174062 WYYYOFSHOBFXNF-HUUCEWRRSA-N 297.310 1.377 0 30 CDAC Nn1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 22503948 UUEYIWCAVXLFIK-UHFFFAOYSA-N 258.310 1.338 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1cscn1 59234807 MNEUWKACNDMYIZ-SSDOTTSWSA-N 258.299 1.794 0 30 CDAC N[C@@H](Cc1ccccn1)[C@H]1COc2ccccc2O1 88530999 XECVDHNODJITAV-SWLSCSKDSA-N 256.305 1.791 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](CN)CO2)C1 110914980 HIIRWGRMPFSSLM-MFKMUULPSA-N 256.346 1.361 0 30 CDAC Cn1cc(I)c2ccncc2c1=O 2048485885 ZKVBPJKARBDTMD-UHFFFAOYSA-N 286.072 1.538 0 30 CDAC CC(=O)Oc1ccoc1C(=O)c1occc1OC(C)=O 299803385 MZMVOTLKBBGKRY-UHFFFAOYSA-N 278.216 1.954 0 30 CDAC CS(=O)(=O)n1cc(C(=O)C(F)F)c2ccccc21 129883 MGYOPSCDLIQAQL-UHFFFAOYSA-N 273.260 1.897 0 30 CDAC NC(=O)Cc1ccc(OCCNCc2ccccc2)cc1 2576314 PGEOICAYFFGODQ-UHFFFAOYSA-N 284.359 1.883 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]1CCCOC1 69551124 GPJZIGYETVHTQK-VHSXEESVSA-N 273.329 1.733 0 30 CDAC CS(=O)(=O)[C@@H]1Cc2cc(Br)ccc2[C@H]1N 2265384439 BXWABQFMXWSNIX-NXEZZACHSA-N 290.182 1.418 0 30 CDAC CC(C)(C)OC(=O)NCCc1cnc(N)c(C(=O)O)c1 95769059 OUDKHLLUHJDKIZ-UHFFFAOYSA-N 281.312 1.429 0 30 CDAC N[C@H](Cc1ccccn1)[C@@H]1COc2ccccc2O1 88530998 XECVDHNODJITAV-DOMZBBRYSA-N 256.305 1.791 0 30 CDAC in-vitro NC(=O)N1C=CC2=C(c3ccccc31)[C@@H](O)[C@H](O)C=C2 199742556 SYTXQGXYWYVYCA-OCCSQVGLSA-N 270.288 1.144 0 30 CDAC O=[N+]([O-])C=C1NCCCN1CCCc1ccccc1 4107371 KXMLBHLWLFZDFP-UHFFFAOYSA-N 261.325 1.990 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)O 44296332 OCKHEPQMWWPCNK-SSDOTTSWSA-N 272.326 1.664 0 30 CDAC COC(=O)c1ccc(NC(N)=S)c(Br)c1 725343602 DVPJPJHHEBINFG-UHFFFAOYSA-N 289.154 1.891 0 30 CDAC CC(C)(C)NC(=S)NN1[C@@H]2CS[C@@H]1CS2 100220191 YFGYJNKDBDMXCD-KNVOCYPGSA-N 263.457 1.612 0 30 CDAC CC(C)(C)OC(=O)N1CC(=O)C2(CCOCC2)C1 642883222 KIPBAUPBWSGXGF-UHFFFAOYSA-N 255.314 1.603 0 30 CDAC CC[C@H]1[C@@H](C(=O)OC)C(=O)CCN1C(=O)OC(C)(C)C 238280698 DBSORQIBUVWRHY-GXSJLCMTSA-N 285.340 1.764 0 30 CDAC CC(=O)Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2 72232989 HMHVLUFTMUSQOS-UHFFFAOYSA-N 274.320 1.732 0 30 CDAC O=C1CO[C@H](c2ccc(Br)cc2)CN1 82566143 DUHQTJUGJSNMEI-VIFPVBQESA-N 256.099 1.637 0 30 CDAC CN[C@H](C(N)=O)c1cc(OC)ccc1Br 234469136 RPVRUTJDVBUGOX-VIFPVBQESA-N 273.130 1.204 0 30 CDAC O=C1NCCCn2cc(I)cc21 96033049 UMKZVJBIUNNZPZ-UHFFFAOYSA-N 276.077 1.226 0 30 CDAC O=C(N[C@H]1COC[C@@H](O)C1)OCc1ccccc1 143810579 TWEONXIENGFSEX-NEPJUHHUSA-N 251.282 1.063 0 30 CDAC CC(=O)OCOC(=O)c1cc2ccccc2oc1=O 2511799 VCPQRQDPYAPMBQ-UHFFFAOYSA-N 262.217 1.470 0 30 CDAC CCOC(=O)Cc1csc(I)n1 238262196 OLMDGOFLCZMJCL-UHFFFAOYSA-N 297.117 1.853 0 30 CDAC OC[C@@H](O)CCCCCCCCCC[C@H](O)CO 33609407 SHSYIUNPNAKBKC-KBPBESRZSA-N 262.390 1.594 0 30 CDAC CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1ccc(F)cc1)C2 100244239 QENHGCRSNQOKTN-STQMWFEESA-N 298.383 1.729 0 30 CDAC CC(C)[C@](CCN1CCOCC1)(C(N)=O)c1ccccc1 32130361 CQQQDWPTFATORJ-KRWDZBQOSA-N 290.407 1.788 0 30 CDAC CC(=O)O[C@@H]1[C@@H](CO)C=C[C@H]1OC(=O)c1ccccc1 36429274 IVZLDDMMLSHLIP-MGPQQGTHSA-N 276.288 1.322 0 30 CDAC CCc1cccc(CC)c1N1C(N)=NC(N)=NC1(C)C 71379 MOTSUCXTDVBHLQ-UHFFFAOYSA-N 273.384 1.997 0 30 CDAC O=C(O)c1ccccc1-n1nnc(C(F)(F)F)n1 716852903 HGAVSLPETLBMCT-UHFFFAOYSA-N 258.159 1.379 0 30 CDAC COc1nc(NC(C)=O)c(Br)c(OC)n1 38778766 MIJQZPWDRPMPIN-UHFFFAOYSA-N 276.090 1.215 0 30 CDAC CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)[N@@]1O[C@@]13C2(Cl)Cl 2048487695 HAMBQYFZDBYWHU-JJXJNEOESA-N 298.191 1.883 0 30 CDAC Cc1nc(C(F)(F)F)ccc1C(=O)NN1CCOCC1 147077 GWLJYQKJZDNNNN-UHFFFAOYSA-N 289.257 1.386 0 30 CDAC COCCOCCCNC[C@@H]1COc2ccccc2O1 3650998 ZYDFAKZGPHZIED-CYBMUJFWSA-N 281.352 1.469 0 30 CDAC CC(C)(C)OC(=O)N1CC(c2ncc(CO)s2)C1 394685852 GSKBCNVOJMHZCG-UHFFFAOYSA-N 270.354 1.970 0 30 CDAC Cc1c(CNC(=O)OC(C)(C)C)c(C(=O)O)nn1C 2265383720 WSKWFUODUCMBJV-UHFFFAOYSA-N 269.301 1.451 0 30 CDAC CCOC(=O)[C@]1(c2ccccc2)OCC[C@@]1(C)O 1082838921 MMIPAHFHWOKHHK-KGLIPLIRSA-N 250.294 1.616 0 30 CDAC Cc1c(S(=O)(=O)N2CCOCC2)ccc(Cl)c1F 142150 ITWSPGZXFBPBAI-UHFFFAOYSA-N 293.747 1.808 0 30 CDAC CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 4344142 IAIKAKWKWIJNAO-GFCCVEGCSA-N 278.352 1.868 0 30 CDAC Cc1csc2nc(CN3CCOCC3)[nH]c(=O)c12 19924781 LQZVDCKECYEXBS-UHFFFAOYSA-N 265.338 1.125 0 30 CDAC O=C1Nc2ccc(F)cc2[C@@]1(O)Cc1ccccn1 81483 KOOCHMIMZRQVCO-AWEZNQCLSA-N 258.252 1.603 0 30 CDAC COC(=O)[C@@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 39644947 XLZZZJSGAZLMIB-UWVGGRQHSA-N 275.345 1.460 0 30 CDAC Cc1nc(N2CC[C@@H](O)C2)ncc1Br 223522063 AYBYXVSLEOHSBO-SSDOTTSWSA-N 258.119 1.119 0 30 CDAC FC(F)(F)c1nc2n(c1Br)CCNC2 146218288 NCSCRMGIECHNRL-UHFFFAOYSA-N 270.052 1.768 0 30 CDAC COC(=O)CCc1ccccc1OCC(=O)OC 219387953 ILCGHRIZNCHVTA-UHFFFAOYSA-N 252.266 1.344 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CN)OC2=O 669371610 JZVMWICPKRHDAO-SNVBAGLBSA-N 284.356 1.278 0 30 CDAC CCOC(=O)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 42689553 CLBLGRHCIFLTCU-LLVKDONJSA-N 287.356 1.558 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@H](CN)[C@@H]2C1 91304016 HLBMPIBPEUZPJQ-GMTAPVOTSA-N 256.346 1.217 0 30 CDAC COP(=O)(OC)Oc1ccc(S(N)(=O)=O)cc1 1847854 QFPHHNFKPNIGGX-UHFFFAOYSA-N 281.226 1.114 0 30 CDAC CC(C)(C)OC(=O)N1CCN(c2cccnc2N)CC1 84677795 HISOLHQGXPBGOI-UHFFFAOYSA-N 278.356 1.721 0 30 CDAC Cn1cc(S(N)(=O)=O)c2cccc(Br)c21 118229709 OUNQOIVMQJOJSP-UHFFFAOYSA-N 289.154 1.588 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C[C@H](N)C12CCOCC2 723539105 GNKZZXVIXSZHND-VHSXEESVSA-N 256.346 1.408 0 30 CDAC CC(C)COC(=O)[C@@H]1c2ccc(O)cc2[C@@H](O)CN1C 95762753 LRSDNUVUJLHRAP-KBPBESRZSA-N 279.336 1.611 0 30 CDAC CCOC(=O)[C@H]1C[C@H]1NC(=O)OCc1ccccc1 95831124 YLPHGKPNNZKULJ-NWDGAFQWSA-N 263.293 1.864 0 30 CDAC C[C@@H](O)COc1ccc(Br)cc1C(N)=O 138194466 GWNIMRXOQQOZJL-ZCFIWIBFSA-N 274.114 1.308 0 30 CDAC CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@@H]2O1 17027361 WKRBIHIDJVMVGS-UHXUPSOCSA-N 294.303 1.081 0 30 CDAC C[C@@H]1CNC[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 616582319 MLTNMWYTXODODN-MFKMUULPSA-N 256.346 1.374 0 30 CDAC Cc1cc2c(=O)c(C(=O)O)cn(CCCC(=O)O)c2s1 35570277 AMJOMBLZRCHYFN-UHFFFAOYSA-N 295.316 1.934 0 30 CDAC O=S(=O)(O)c1ccc[n+](Cc2ccccc2)c1 44710315 BUHVHBJRTMUDGJ-UHFFFAOYSA-O 250.299 1.269 0 30 CDAC CN(C)[C@@H]1C[C@@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1 211271697 ZZCLZCOAJYRNTN-NXEZZACHSA-N 272.345 1.258 0 30 CDAC O=C1CC[C@](c2ccccc2)(C2CCNCC2)C(=O)N1 82095470 WCKABEIXAFZEIO-INIZCTEOSA-N 272.348 1.361 0 30 CDAC CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](O)C(=O)O 146499759 WGHGBLXJADIZHC-IUCAKERBSA-N 259.302 1.222 0 30 CDAC Cc1nnsc1C(=O)NC1Cc2ccccc2C1 119756 ZBRCQVXMEKYNRL-UHFFFAOYSA-N 259.334 1.744 0 30 CDAC Nc1nc(Cl)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1 1612360 IHEDZPMXLKYPSA-BQBZGAKWSA-N 265.704 1.171 0 30 CDAC in-vitro CC(=O)Nc1ccc2cc(S(=O)(=O)CCO)ccc2c1 79605477 SHYLRVFVLIPPTN-UHFFFAOYSA-N 293.344 1.564 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](COC1CCCC1)C(=O)O 390766801 FTYKIPORAAKPBP-JTQLQIEISA-N 273.329 1.924 0 30 CDAC CSc1n[nH]c(=O)n1-c1ccc2c(c1)OCCO2 128037 DOFJCADFSYYMNZ-UHFFFAOYSA-N 265.294 1.054 0 30 CDAC COC(=O)c1sccc1NC(=O)c1c(C)c(=O)on1C 121837 QUPXVDCXAMHHTJ-UHFFFAOYSA-N 296.304 1.387 0 30 CDAC Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)O 20446366 NPUJTINVIRSXNI-SECBINFHSA-N 254.286 1.375 0 30 CDAC in-vitro CC(C)(C)OC(=O)NC1CCN(C(N)=S)CC1 96034414 UQYHBRIBFPNSTA-UHFFFAOYSA-N 259.375 1.219 0 30 CDAC Cc1sc(Br)cc1S(N)(=O)=O 83813165 OXURZRLVOOZFHZ-UHFFFAOYSA-N 256.146 1.466 0 30 CDAC CC[C@H]1CN(c2ncnc3ccc(N)cc23)CCO1 81590513 ILPHPIWIGORPKK-NSHDSACASA-N 258.325 1.827 0 30 CDAC CSc1nc(N)nc([C@@H]2COc3ccccc3O2)n1 171100 DMNAQOLBXGTQSB-VIFPVBQESA-N 276.321 1.688 0 30 CDAC CC(C)C(=O)OCC(C)(C)COC(=O)C(C)(C)CO 38642634 YOGYDRXODPAZFW-UHFFFAOYSA-N 274.357 1.774 0 30 CDAC COC(=O)[C@H](Cc1ccc(=N)[nH]c1)NC(=O)OC(C)(C)C 585666438 RXVRDZJFJVDMGY-JTQLQIEISA-N 295.339 1.103 0 30 CDAC CCCOC(=O)[C@@H]1c2ccc(O)cc2[C@H](O)CN1C 31880991 UYQLMPDQOLGGOL-OLZOCXBDSA-N 265.309 1.365 0 30 CDAC CC(C)(C)OC(=O)N1CCc2sc(CO)nc2C1 62716670 VCJZMEKGWQJKSU-UHFFFAOYSA-N 270.354 1.929 0 30 CDAC CC1CCN(C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)CC1 71792702 GNOUJHHHVHESEW-QNWHQSFQSA-N 263.337 1.768 0 30 CDAC Cc1c(OC(F)(F)F)cccc1S(N)(=O)=O 309372023 FMMDLMWCPQDXFS-UHFFFAOYSA-N 255.217 1.541 0 30 CDAC NCCOCCNC(=O)O[C@@H]1CC/C=C/CCC1 2265352373 XSQPNTGHTKIODW-YYRQZUAOSA-N 256.346 1.577 0 30 CDAC CC(C)(C)OC(=O)[C@](N)(CC(=O)O)c1cccc(O)c1 83259351 KYCMTJFIIKIZHY-AWEZNQCLSA-N 281.308 1.363 0 30 CDAC CCOC(=O)c1cc(I)on1 38526622 VJMQZWNVBFOPTL-UHFFFAOYSA-N 267.022 1.456 0 30 CDAC CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NC1CC1 71974201 DPFCMHQQTKBKAX-GHMZBOCLSA-N 286.372 1.319 0 30 CDAC O=C(O)C[C@H]1CCc2ncc(Br)n2C1 212596678 BYWFDBYXWLNQTR-ZCFIWIBFSA-N 259.103 1.683 0 30 CDAC COC(=O)[C@@H](N)C[C@H]1CCCCN1C(=O)OC(C)(C)C 219072496 UARZMJAITSDITP-MNOVXSKESA-N 286.372 1.666 0 30 CDAC CCOP(=O)(OCC)[C@H]1C2CCN(CC2)S1(=O)=O 642882399 VVTSFEJZIJYJHW-SNVBAGLBSA-N 297.313 1.634 0 30 CDAC CCOC(=O)C(=O)NC(=O)OCc1ccccc1 2384233 JREYAXFCOGQLSQ-UHFFFAOYSA-N 251.238 1.003 0 30 CDAC N=C(N)c1ccc(Cc2ccc(C(=N)N)cc2)cc1 6092962 FTMSARBDCMBEPC-UHFFFAOYSA-N 252.321 1.846 0 30 CDAC O=C(c1cccs1)c1cnc2ccccn2c1=O 94756 HRYNTUMGJZHVNY-UHFFFAOYSA-N 256.286 1.987 0 30 CDAC Cc1cccc(C)c1NC(=O)CCN1CCOCC1 20458502 GWEFHQVYPVBOQS-UHFFFAOYSA-N 262.353 1.964 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN)C2)C1 238145735 SKJDWIYFGRYNMX-ZWNOBZJWSA-N 256.346 1.361 0 30 CDAC CCOC(=O)[C@H]1CNCCC12CN(C(=O)OC(C)(C)C)C2 642882040 WVVJCSWSUQMJTO-LLVKDONJSA-N 298.383 1.396 0 30 CDAC O=C(Cc1nn[nH]n1)Nc1ccc(F)c(Cl)c1 91091 TXIVVPJIHSATMO-UHFFFAOYSA-N 255.640 1.173 0 30 CDAC CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)O)C1 231540888 UQFACOHOWNNHCO-IUODEOHRSA-N 293.319 1.887 0 30 CDAC CCOC(=O)c1c[nH]c2cc(-c3ccccc3)nn2c1=O 100219717 UAZZQZSMBAPYCD-UHFFFAOYSA-N 283.287 1.866 0 30 CDAC CN(C)[C@H]1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1 211271637 ZZCLZCOAJYRNTN-UWVGGRQHSA-N 272.345 1.258 0 30 CDAC CCOC(=O)C[C@H]1C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 2265385464 XCNCDUWMTDIUOL-RKDXNWHRSA-N 287.312 1.402 0 30 CDAC Cc1noc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 247976821 VJBJOAMLWIPBSG-UKKRHICBSA-N 258.277 1.603 0 30 CDAC CC(C)CCCCCOC(=O)CSC[C@H](O)CO 5758436 SHQAGQOCMDSNQH-GFCCVEGCSA-N 278.414 1.832 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(F)(F)F)C1=O 137431009 NACBMNLTYPLOGJ-ZCFIWIBFSA-N 281.230 1.901 0 30 CDAC O=C(OCc1ccccc1)N1CC[C@@H]([S@@](=O)O)C1 207923125 JEYSQKSCOCJNGX-LLVKDONJSA-N 269.322 1.619 0 30 CDAC Cc1nnsc1C(=O)NC[C@@H]1COc2ccccc2O1 157830 HDCHEGMLVUGGBA-SECBINFHSA-N 291.332 1.416 0 30 CDAC O=S(=O)(O)c1cc2nnoc2c2ccccc12 1847848 OIDKWKZBMQUGNQ-UHFFFAOYSA-N 250.235 1.623 0 30 CDAC [O-][n+]1ccc(Br)c(Br)c1 96332026 FIBNBZXWIOAHKT-UHFFFAOYSA-N 252.893 1.845 0 30 CDAC COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)O1 220299619 RSQHRHJTNDOFGS-MRVPVSSYSA-N 259.302 1.531 0 30 CDAC C[C@@H](C(=O)O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 39153856 NIEWBEWCDFGNTM-KXUCPTDWSA-N 273.329 1.468 0 30 CDAC O=C1C(=Cc2ccc(-n3cncn3)cc2)N=C2SCCN12 2265276381 HCUUPNBJTPNOSY-UHFFFAOYSA-N 297.343 1.553 0 30 CDAC CC(C)(C)OC(=O)N1CCc2[nH]ccc2[C@@H]1C(=O)O 642881850 WNLRCSZFRJPSEM-SNVBAGLBSA-N 266.297 1.934 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H](N)C(F)(F)CC1 950757395 YUTCOHXJWJSWSE-MRVPVSSYSA-N 250.289 1.980 0 30 CDAC CCOC(=O)[C@@H](N)c1ccc(Br)cn1 125126384 LLPZPDNPORUEKC-QMMMGPOBSA-N 259.103 1.407 0 30 CDAC CCn1nc(C)cc1-c1nnc(S)n1CCCOC 3046120 SUCBRXJAFNTURM-UHFFFAOYSA-N 281.385 1.795 0 30 CDAC NCC1(COc2ccc(Br)cc2)COC1 204798559 KDYUHYKXXIHXQG-UHFFFAOYSA-N 272.142 1.803 0 30 CDAC Oc1ccc([C@@H]2Oc3cccc(O)c3[C@@H](O)[C@@H]2O)cc1 85933435 FQIDJQGHFXTFEN-ILXRZTDVSA-N 274.272 1.626 0 30 CDAC COC(=O)[C@@H](N)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 219072584 UARZMJAITSDITP-QWRGUYRKSA-N 286.372 1.666 0 30 CDAC CC(C)(C)OC(=O)NCc1nc(Br)n[nH]1 238178387 MWEQOYZNZAOSSK-UHFFFAOYSA-N 277.122 1.592 0 30 CDAC C/C(N)=C(/CC[C@H](C)/C(C(=O)O)=C(/C)N)C(=O)O 137278303 KLKPMMJXNVVHRS-FHAREBBDSA-N 256.302 1.037 0 30 CDAC Cn1nc(I)cc1[C@H]1CCCN1 2265385698 FPBMZIVPZOSZMC-ZCFIWIBFSA-N 277.109 1.449 0 30 CDAC Nc1nc(N)c2c(OCC(F)(F)F)cccc2n1 5728940 CMIRUHXLWHGPHN-UHFFFAOYSA-N 258.203 1.735 0 30 CDAC COC(=O)N1CCC(Nc2ccc(F)cc2)(C(N)=O)CC1 33608481 GFVBHYAVXRMSIU-UHFFFAOYSA-N 295.314 1.324 0 30 CDAC O=C(O)c1ccc(N2CCOCC2)nc1C(F)(F)F 217718235 JECSJGSIUSLMJM-UHFFFAOYSA-N 276.214 1.635 0 30 CDAC O=C(O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 36765548 YYSRQXXGQHIJBB-UHFFFAOYSA-N 276.260 1.847 0 30 CDAC O=C(c1ccco1)N1C(=O)c2ccccc2S1(=O)=O 13528176 CDEUGGREIZGBIX-UHFFFAOYSA-N 277.257 1.265 0 30 CDAC CS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 146055180 ACMARYKASKPJRN-UHFFFAOYSA-N 281.333 1.107 0 30 CDAC Cc1cc2c(=O)c(C(=O)O)cn(CC(=O)O)c2s1 35570267 KJORYYDCJUXEBJ-UHFFFAOYSA-N 267.262 1.154 0 30 CDAC O=C(O)c1cnn([C@@H]2CCCOC2)c1C(F)(F)F 97139151 HVZGSWZNJAIDCJ-ZCFIWIBFSA-N 264.203 1.952 0 30 CDAC Cc1ccc2c(c1)C(=O)O[C@]1(O)[C@H]3[C@@H](C(=O)N21)[C@H]1C=C[C@H]3C1 252428586 OOGYFYHGVBXWLB-HBFUQRBFSA-N 297.310 1.596 0 30 CDAC N=C(N)Nc1ccccc1I 52091841 CBWUGDIABPRIMN-UHFFFAOYSA-N 261.066 1.597 0 30 CDAC CCN1CCC[C@@H]1CNC(=O)c1cnc(C)nc1OC 33866688 YCQMGHOYAMJGJR-LLVKDONJSA-N 278.356 1.008 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCCN1)C(=O)O 221042144 CLBXRMZQUKCXFD-VHSXEESVSA-N 272.345 1.497 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@](C(=O)O)(n2ccnc2)C1 1082853961 XWVYVHVGIALPRT-CYBMUJFWSA-N 281.312 1.304 0 30 CDAC COCCCNCc1cc(OC)c(OC)c(OC)c1 5997817 HUQQTKINPXSDCQ-UHFFFAOYSA-N 269.341 1.839 0 30 CDAC CN1C(=O)SC(=Cc2ccc(-n3cncn3)cc2)C1=O 2265279735 GHKSVAPFTFEFOZ-UHFFFAOYSA-N 286.316 1.933 0 30 CDAC COC(=O)c1sccc1O[C@@H](C)C(=O)C=CN(C)C 33773953 NRFXNSKVNCFKOF-VIFPVBQESA-N 283.349 1.946 0 30 CDAC O=C1NC(=O)[C@]2(CCc3cc(Br)ccc3C2)N1 96320090 TYWWPNFEOUBYDY-GFCCVEGCSA-N 295.136 1.516 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCNCC2)C1 258519126 LXBSANNSCSHVDB-RYUDHWBXSA-N 269.389 1.337 0 30 CDAC CCOc1ccc(N(CC(=O)N(C)C)C(C)=O)cc1 2038450 NUOICCVQBNCNIH-UHFFFAOYSA-N 264.325 1.526 0 30 CDAC COC(=O)c1ccc([C@@H](N)c2nccnc2Cl)cc1 223958354 LPMMDMUDSRORAW-SNVBAGLBSA-N 277.711 1.965 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc(C2CC2)nc1 199406733 GFOIHQFXIKPVNA-UHFFFAOYSA-N 263.146 1.213 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)[C@@H](C1)C2(F)F 409433570 SRXKXVDBUUMBPX-RDDDGLTNSA-N 277.267 1.963 0 30 CDAC Cc1ccc([C@@](O)(CO)COC(=O)C(C)C)c(O)c1 12153207 HGIHDUILBYERQC-CQSZACIVSA-N 268.309 1.080 0 30 CDAC Nc1c(-c2nn[nH]n2)cnn1-c1ccc(Cl)cc1Cl 143018 PZJPDMQBQCJCAX-UHFFFAOYSA-N 296.121 1.941 0 30 CDAC CCOC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 301054771 JOOLXBLTNBWCNP-OUAUKWLOSA-N 287.356 1.604 0 30 CDAC C=CC(=O)N1C[C@@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C 1083674424 CBRJPFGIXUFMTM-QWRGUYRKSA-N 285.351 1.935 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 77404670 ZPOBEQZMUMMOGD-NXEZZACHSA-N 277.386 1.867 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 83242824 QBSCLEPVLRCPHJ-XPTSAGLGSA-N 297.355 1.232 0 30 CDAC O=C(O)CN1CCCC[C@H](OCc2ccccc2)C1=O 399517985 PRIYVZNJLLJPJX-ZDUSSCGKSA-N 277.320 1.669 0 30 CDAC CSc1ccc2ncn(/C=C/C(=O)O)c(=O)c2c1 2160 VHFPVEGFRVEDBK-SNAWJCMRSA-N 262.290 1.674 0 30 CDAC in-man CS(=O)(=O)c1sc(C(=O)O)c2c1C=CCC2 4350265 BNAQIWIFPNXUHJ-UHFFFAOYSA-N 258.320 1.809 0 30 CDAC NCCN1CCC(C(=O)c2ccc(F)cc2)CC1 33607256 VWLIPIMEJFEFNR-UHFFFAOYSA-N 250.317 1.679 0 30 CDAC NC(=O)CN1C(=O)[C@@H](c2ccccc2)c2ccccc21 3623544 MVZYGLQQNPFARE-HNNXBMFYSA-N 266.300 1.650 0 30 CDAC in-man COc1cccc2cc(B(O)OC(C)(C)C(C)(C)O)[nH]c12 200312921 REDRZNPJLLVJKL-UHFFFAOYSA-N 291.156 1.430 0 30 CDAC CCOC(=O)[C@H]1CCC(=O)[C@@H](C(=O)C(F)(F)F)C1 100443547 GRCQBCQNPYZWLS-BQBZGAKWSA-N 266.215 1.666 0 30 CDAC O=C(c1nc(O)n(-c2ccccc2)n1)N1CCCCC1 71544594 DWRWPYZCECJAIF-UHFFFAOYSA-N 272.308 1.599 0 30 CDAC COC(=O)CCCC(=O)CP(=O)(OC)OC 34084273 PMOYKTGCMQTQNB-UHFFFAOYSA-N 252.203 1.385 0 30 CDAC CC[C@H]1CN1c1nc(N2C[C@@H]2CC)nc(N2C[C@@H]2CC)n1 95864148 JMDOEUVPOVHBNU-DEBJPHTRSA-N 288.399 1.667 0 30 CDAC CCOC(=O)C1=C(C)N[C@@H](C(=O)OCC)CS1 20223784 SBGZBZTTZFVAKW-MRVPVSSYSA-N 259.327 1.049 0 30 CDAC CC(C)C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)CC(=O)O 88273274 OIUMNIIWGQOQAH-ZYHUDNBSSA-N 272.389 1.613 0 30 CDAC CC(=O)C(C(C)=O)C(O)(C(F)(F)F)C(F)(F)F 5196293 YWWBVUKXYSHFSO-UHFFFAOYSA-N 266.137 1.636 0 30 CDAC OCCOc1cnc2ccc(Br)cc2n1 95830744 UGXHALVPEDVXQJ-UHFFFAOYSA-N 269.098 1.763 0 30 CDAC CC(C)NC[C@H](O)COc1cc(O)c(O)c2ccccc12 5760449 NQLMMVJNBRHISU-NSHDSACASA-N 291.347 1.989 0 30 CDAC Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1 5394463 WPBMVZDEHOCOKT-GHMZBOCLSA-N 260.293 1.996 0 30 CDAC COc1c(F)cc(B(O)OC(C)(C)C(C)(C)O)cc1F 2265362150 SFNBTEIGXFXWKY-UHFFFAOYSA-N 288.099 1.227 0 30 CDAC NC(=O)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 20443465 FPTSRYHSBIYKCV-UHFFFAOYSA-N 273.258 1.802 0 30 CDAC C[C@@]1(C2CC2)NC(=O)N(c2ccc(CN)cc2)C1=O 148587587 IUGNOUXIEPLKPC-AWEZNQCLSA-N 259.309 1.370 0 30 CDAC CC(C)(C)OC(=O)N1CCC2=C(C1)OCCNC2=O 307701511 RYQMCOBLSFRONW-UHFFFAOYSA-N 268.313 1.028 0 30 CDAC O=c1c(N2CCOCC2)nnc2sc3ccccc3n12 160393 YRIMOKFVDIJXPX-UHFFFAOYSA-N 288.332 1.141 0 30 CDAC COCC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 713060071 AZJNESQYVWRTRP-QMMMGPOBSA-N 279.283 1.847 0 30 CDAC COc1cc(I)ccc1CN 238364885 NXLDCQPYIJDXCR-UHFFFAOYSA-N 263.078 1.759 0 30 CDAC CCOCCOCCOCCOCCOCCOCC 5859031 IXFAFGFZFQHRLB-UHFFFAOYSA-N 294.388 1.126 0 30 CDAC in-vivo Cc1ccc(S(N)(=O)=O)c(I)c1 173151 CMPOYFKDWFASDM-UHFFFAOYSA-N 297.117 1.247 0 30 CDAC COC1(c2nc(-c3ccccn3)no2)CCNCC1 238852873 HNYGDOLPTRUUFY-UHFFFAOYSA-N 260.297 1.357 0 30 CDAC O=S1(=O)CCCN1c1ccnc(Br)c1 306704590 JPEKBAWDBIMKRY-UHFFFAOYSA-N 277.143 1.384 0 30 CDAC COC(=O)[C@@H](N)[C@H](C)c1ccc(OC)c(OC)c1 38611767 GVFHYRBEKBBJQE-PELKAZGASA-N 253.298 1.308 0 30 CDAC CCN[C@@H](Cc1ccc(F)cc1)CS(C)(=O)=O 52789049 HIUSALUNDFQTPZ-LBPRGKRZSA-N 259.346 1.391 0 30 CDAC C[Si](C)(C)n1cnc2c(ncn2[Si](C)(C)C)c1=O 207325273 KWRDUGFAJIGUGQ-UHFFFAOYSA-N 280.480 1.959 0 30 CDAC Nc1nc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)[nH]1 13467530 FQYWKBFQRBNCKL-UHFFFAOYSA-N 279.303 1.375 0 30 CDAC CCOC(=O)[C@](NC(C)=O)(OC(C)C)C(F)(F)F 3138605 CFAYEDYVJGVVSY-VIFPVBQESA-N 271.235 1.369 0 30 CDAC O=C(O)c1ncc(Br)n1C(F)(F)F 257740970 JOTWBPMTPZAQFL-UHFFFAOYSA-N 258.981 1.820 0 30 CDAC O=C(CCO)Nc1ncc(Br)s1 39123826 RXSRBCSINCXRPL-UHFFFAOYSA-N 251.105 1.227 0 30 CDAC [N-]=[N+]=Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 139068644 JVVGPGVAUOFYCM-VIFPVBQESA-N 299.246 1.030 0 30 CDAC NC(=S)N1CCN(C(=O)OCc2ccccc2)CC1 90635881 NXESMWCTIBCSIG-UHFFFAOYSA-N 279.365 1.184 0 30 CDAC CC(C)Oc1ccc(Br)cc1S(N)(=O)=O 50428419 YXKLZXHIJQUVIN-UHFFFAOYSA-N 294.170 1.884 0 30 CDAC O=C(NCc1nc[nH]n1)c1cc2cc(Cl)ccc2[nH]1 67685982 ZPSUUVMDYUOZMF-UHFFFAOYSA-N 275.699 1.869 0 30 CDAC O=C(O)[C@@H]1CCc2nnc(-c3ccc(O)cc3)n2C1 96300695 VUUVKVBTCMENDS-SECBINFHSA-N 259.265 1.298 0 30 CDAC O=C(CN1CCOCC1)Nc1ccccc1Br 21822373 XCXBNQCEWOPMAZ-UHFFFAOYSA-N 299.168 1.720 0 30 CDAC CC(C)(C)OC(=O)N[C@H](CO)C[C@@H]1CCCOC1 71624881 GABXFEMVHFECFK-QWRGUYRKSA-N 259.346 1.689 0 30 CDAC COc1ccccc1O[C@@H]1CCN(CCCO)C1 3620556 UWQNMHUNUGDTPE-GFCCVEGCSA-N 251.326 1.531 0 30 CDAC Cc1cc(B(O)OC(C)(C)C(C)(C)O)ccc1[N+](=O)[O-] 238790382 FQPSFOYOWRANFJ-UHFFFAOYSA-N 281.117 1.157 0 30 CDAC COC(=O)[C@@H]1C(=O)C2(CC2)CN1C(=O)OC(C)(C)C 137318145 ZCBRJBQSVWURKE-QMMMGPOBSA-N 269.297 1.128 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](O)[C@H]2OC(C)(C)O[C@H]12 306387799 MLAAITQWGLZZQG-LMLFDSFASA-N 285.340 1.331 0 30 CDAC CCN1C[C@H](C(=O)OC)C(=O)c2cnc(SC)nc21 38643260 SUDFURBPZBYNKJ-QMMMGPOBSA-N 281.337 1.010 0 30 CDAC O=Cc1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 198714909 WPXQDGOIBZXVAE-UHFFFAOYSA-N 257.211 1.946 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1c(F)cc(C=O)cc1F 217654883 DMTDTXIHLRHGPW-UHFFFAOYSA-N 286.083 1.031 0 30 CDAC O=C(OCc1ccccc1)N1CCS(=O)(=O)CC1 74813507 XFVKLOGLCAUHPR-UHFFFAOYSA-N 269.322 1.054 0 30 CDAC O=S(=O)(Cc1noc(-c2ccno2)n1)c1ccsc1 4390792 AQFCQJNWCPUHIU-UHFFFAOYSA-N 297.317 1.760 0 30 CDAC COc1ccc(-n2nnnc2C(F)(F)F)cc1C=O 38979650 YQNRPEFJKQVSNX-UHFFFAOYSA-N 272.186 1.502 0 30 CDAC COC(=O)[C@@H](O)c1ccc(F)cc1Br 226554360 UGNZWYYUSYFIKO-QMMMGPOBSA-N 263.062 1.795 0 30 CDAC CC1(C)O[C@H]2O[C@H](C[C@@H](O)C[Si](C)(C)C)[C@H](O)[C@H]2O1 200156133 SQAAADJTRZITSB-RMPHRYRLSA-N 290.432 1.313 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)COCC2=O 584626886 IMEKDXXPNDWOAG-UHFFFAOYSA-N 255.314 1.603 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O 4534206 BHTRKISIDQZUQX-NWDGAFQWSA-N 295.335 1.568 0 30 CDAC CO[P@@](=O)(OCCN(C)C)OC[C@@H]1COC(C)(C)O1 22002371 OLYLDTWYTVWVGU-OVWNDWIMSA-N 297.288 1.487 0 30 CDAC CC(C)(C)OC(=O)N1CCN(C(=O)C(F)F)CC1 148490119 JUHPURJNNXYLMA-UHFFFAOYSA-N 264.272 1.331 0 30 CDAC Oc1ccc([C@@H]2Oc3cccc(O)c3[C@H](O)[C@@H]2O)cc1 257418528 FQIDJQGHFXTFEN-KKUMJFAQSA-N 274.272 1.626 0 30 CDAC CCOC(=O)N1[C@H]2C[C@@H](C)[C@@H](C2)N1C(=O)OCC 140705787 CLODWVRJBVVHQG-KXUCPTDWSA-N 256.302 1.999 0 30 CDAC Cc1noc(C)c1-n1sc(=O)n(CC2CC2)c1=O 119407 CZCOFWVANQQALZ-UHFFFAOYSA-N 267.310 1.076 0 30 CDAC C[C@@H](N)c1cccc(S(=O)(=O)C(F)(F)F)c1 114691314 XMXLRIGZCMVDGP-ZCFIWIBFSA-N 253.245 2.000 0 30 CDAC CC[C@H]1[C@H](C(=O)OC)C(=O)CCN1C(=O)OC(C)(C)C 238286406 DBSORQIBUVWRHY-ONGXEEELSA-N 285.340 1.764 0 30 CDAC N#C/C(=N\NC(=N)N)c1cc(Cl)ccc1Cl 38648073 SDJPBBPBSADWBX-OVCLIPMQSA-N 256.096 1.704 0 30 CDAC COC(=O)[C@H](N)Cc1cccc(C(F)(F)F)c1F 95640050 ZAKAQKJFRMDJLG-MRVPVSSYSA-N 265.206 1.887 0 30 CDAC CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 231938884 ABNVHVKLRCQXOW-NANYFGDISA-N 289.331 1.149 0 30 CDAC Oc1ccc([C@@H]2Oc3cccc(O)c3[C@H](O)[C@H]2O)cc1 257418529 FQIDJQGHFXTFEN-ZNMIVQPWSA-N 274.272 1.626 0 30 CDAC c1nc(NCCCN2CCOCC2)c2ccsc2n1 20421458 VMWZEEBSODDHCD-UHFFFAOYSA-N 278.381 1.826 0 30 CDAC O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccnc1 3096440 MEGKOTWHALFPHX-SPFNVWMYSA-N 258.277 1.543 0 30 CDAC CC(C)(C)OC(=O)N1[C@@H]2C[C@H](F)[C@H](C2)[C@H]1C(=O)O 145197205 ZZOLHPFGDKIOCE-JBDRJPRFSA-N 259.277 1.807 0 30 CDAC CC(C)(C)OC(=O)NCc1ccc(S(C)(=O)=O)cn1 390810791 UFYWGYHPMVXDCD-UHFFFAOYSA-N 286.353 1.510 0 30 CDAC NC(=O)C1CCN(C[C@H](O)CSc2ccccc2)CC1 119054 YSMQPPNUHYMINC-ZDUSSCGKSA-N 294.420 1.337 0 30 CDAC C[C@H]1CC2(C[C@H](C)O1)C(=O)NC(=O)c1ccccc12 95876483 STVRKNODLUFAKS-UWVGGRQHSA-N 259.305 1.782 0 30 CDAC CC(C)(C)OC(=O)N1CCC(CN2CC[C@H](O)C2)CC1 304029929 WEKXSAHMQLCENN-ZDUSSCGKSA-N 284.400 1.700 0 30 CDAC C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)c(c32)O1 6661984 OGNPPGQXASDALJ-RXMQYKEDSA-N 281.214 1.759 0 30 CDAC COC(=O)C[C@H](N)Cc1ccc(Br)cc1 74480056 MUEJXUOIPDOJNM-SNVBAGLBSA-N 272.142 1.882 0 30 CDAC CC(C)N1CCO[C@H](Cn2cc(Br)cn2)C1 80747776 FXCVWEOHVAKVCG-NSHDSACASA-N 288.189 1.755 0 30 CDAC in-vitro Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)nc1 5394469 WPBMVZDEHOCOKT-WDEREUQCSA-N 260.293 1.996 0 30 CDAC O=C(O)[C@@H]1[C@H](C(=O)O)C2CCC1(Br)CC2 3128036 UBYOBZLYTYDIOS-PTBZLCQFSA-N 277.114 1.726 0 30 CDAC COc1cccc(OC)c1C(=O)c1cc[n+](C)cc1 142983 QVWZOCWUIPZDTA-UHFFFAOYSA-N 258.297 1.759 0 30 CDAC COC(=O)[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1 95639506 KAZSKXDGGNIAJB-QMMMGPOBSA-N 267.178 1.897 0 30 CDAC O=S(=O)(O)c1ccccc1C[n+]1ccccc1 38636620 BMOXGRKKKMDDTB-UHFFFAOYSA-O 250.299 1.269 0 30 CDAC COC(=O)[C@@H](N)Cc1sccc1Br 44327636 IPYGPENSQOQONT-LURJTMIESA-N 264.144 1.553 0 30 CDAC CCOC(=O)C[C@@H]1C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 2265385462 XCNCDUWMTDIUOL-DTWKUNHWSA-N 287.312 1.402 0 30 CDAC COCc1cc(=O)n2nc(-c3cccc(OC)c3)cc2[nH]1 166030 POUKJDHZBYLDDX-UHFFFAOYSA-N 285.303 1.845 0 30 CDAC CCCOc1ccccc1N(CC(=O)N(C)C)C(C)=O 2009219 QRSUEMINGJQHFV-UHFFFAOYSA-N 278.352 1.917 0 30 CDAC O=S1(=O)CC[C@@H](n2cc(Br)cn2)C1 38085669 GFGDISVSWGFSKS-SSDOTTSWSA-N 265.132 1.005 0 30 CDAC CCOC(=O)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 42689556 CLBLGRHCIFLTCU-NSHDSACASA-N 287.356 1.558 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](CO)CC[C@H]21 307647839 DDODHLUDMIVDHJ-MXWKQRLJSA-N 257.330 1.536 0 30 CDAC O=C(N=S1(=O)CCNCC1)OCc1ccccc1 712233382 HGYBNXHHJYXMSG-UHFFFAOYSA-N 268.338 1.394 0 30 CDAC COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCC1 114861 TYSVIXSYXCDJBR-UHFFFAOYSA-N 287.337 1.468 0 30 CDAC COC(=O)C[C@@H]1C(=O)CCN1C(=O)OC(C)(C)C 221287653 ICFRRXXRVFQEGV-MRVPVSSYSA-N 257.286 1.128 0 30 CDAC O=S(=O)(O)c1cc2ccccc2cc1S(=O)(=O)O 59348766 YKFJUBNDHOLBNN-UHFFFAOYSA-N 288.302 1.333 0 30 CDAC CC(=O)O[C@@H]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 521399375 ACVZGCXQDCEPME-XQQFMLRXSA-N 273.288 1.123 0 30 CDAC CC(C)[C@]1(NC(=O)c2ccccc2)COCOC1=O 2387096 NSURGGCELRNBSB-CQSZACIVSA-N 263.293 1.342 0 30 CDAC O=C1O[C@]2(O)[C@@H]3[C@@H](C(=O)N2c2ccccc21)[C@H]1C=C[C@H]3C1 100394479 MPIWVHGDHYEIMI-QZNQMVNQSA-N 283.283 1.288 0 30 CDAC CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccn1 1036604 XWMUTYNLPOOVOV-NSHDSACASA-N 261.281 1.273 0 30 CDAC COc1ccccc1CC(=O)NC(=O)c1ccccc1O 157009 UUZBKRFDIGABAB-UHFFFAOYSA-N 285.299 1.900 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc(C2CC2)cc1F 2265362160 UIDFIBGXGYXLPM-UHFFFAOYSA-N 280.148 1.957 0 30 CDAC CCCS(=O)(=O)c1csc(C(=O)OC)c1N 96160 DJKNSDZUTFEZQA-UHFFFAOYSA-N 263.340 1.301 0 30 CDAC COC(=O)C1=C(N2CCCC[C@H]2C)CCN(C)C1 95741262 GYCZXBBYJOKHOU-LLVKDONJSA-N 252.358 1.623 0 30 CDAC O=S(=O)(O)CCCCSc1nnc(S)s1 2583811 ZKRYOFVBBRONKI-UHFFFAOYSA-N 286.425 1.587 0 30 CDAC COc1cc(O)c(CO)cc1I 238391506 QWLFFFADZNUWFQ-UHFFFAOYSA-N 280.061 1.498 0 30 CDAC O[C@H](CBr)c1cc(Br)no1 34109515 WYIIEBIFVAUGEW-GSVOUGTGSA-N 270.908 1.865 0 30 CDAC C[C@@H]1Cn2nc(C(=O)O)cc2CN1C(=O)OC(C)(C)C 328579414 GYMAJGGRYWVXFX-MRVPVSSYSA-N 281.312 1.721 0 30 CDAC O=C(O)c1cc2cc(Br)ccc2c(=O)[nH]1 125328728 GZCXMCGREWBFEY-UHFFFAOYSA-N 268.066 1.989 0 30 CDAC CCOC(=O)c1cn(COC(=O)C(C)(C)C)cn1 2265378671 OKGFRPXRLIPGDD-UHFFFAOYSA-N 254.286 1.607 0 30 CDAC CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)C(C)C 1575703 AORFDVNAPHMKAU-IVMMDQJWSA-N 297.395 1.356 0 30 CDAC biogenic Nc1nc(Cl)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1 1612361 IHEDZPMXLKYPSA-RNFRBKRXSA-N 265.704 1.171 0 30 CDAC CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)O)C1 225088075 UQFACOHOWNNHCO-DOMZBBRYSA-N 293.319 1.887 0 30 CDAC Cc1nc(C(C)C)[nH]c(=O)c1I 88270961 RUQSLKDWOXXGMO-UHFFFAOYSA-N 278.093 1.806 0 30 CDAC CC(C)(O)CNC(=O)c1nc(Br)cs1 119465418 XODXQNBKKBQTST-UHFFFAOYSA-N 279.159 1.406 0 30 CDAC Cc1nn(C)c(I)c1C(=O)O 39259536 KXAAUHVSKNAYSO-UHFFFAOYSA-N 266.038 1.031 0 30 CDAC COCOC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 238339755 KPUCEMMBUYOIRS-MRVPVSSYSA-N 277.317 1.363 0 30 CDAC CCOc1ccccc1/N=N/[C@@H]1C(=O)N(C(=N)N)N=C1C 137379120 KZJFXBXLDQMANL-JCNXWTJJSA-N 288.311 1.649 0 30 CDAC Cc1ccc(S(=O)(=O)n2ccc3nccnc32)cc1 575442268 URVRWKSDGYDOFW-UHFFFAOYSA-N 273.317 1.977 0 30 CDAC COc1cc(C(=O)COC(=O)c2cccnc2)ccc1O 5732737 FELGAPTYPKHPJC-UHFFFAOYSA-N 287.271 1.836 0 30 CDAC CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(N)=O 4375849 DPPJAZKWEIWDKI-GFCCVEGCSA-N 294.351 1.582 0 30 CDAC N=C(N)NC(=N)Nc1ccc(F)cc1Br 20459041 XSINWFLWLWSRES-UHFFFAOYSA-N 274.097 1.418 0 30 CDAC O=C(OCc1ccccc1)N1CCNC[C@H](F)C1 220891341 SYCPOBHHSXNUFK-LBPRGKRZSA-N 252.289 1.567 0 30 CDAC O=C1Nc2ccc(F)cc2[C@@]1(O)Cc1ccncc1 81490 FLCKSVOTUHTQRE-AWEZNQCLSA-N 258.252 1.603 0 30 CDAC CSc1nc(N)n(-c2cnc3ccccc3n2)n1 109129 BTZNXGKAQFONGU-UHFFFAOYSA-N 258.310 1.515 0 30 CDAC Cc1onc(-c2ccccc2)c1C(=O)N1CCNCC1 158506 NBGCHQLIKVQRSF-UHFFFAOYSA-N 271.320 1.695 0 30 CDAC O=C(O)CSCC(=O)Nc1ccc(Cl)cn1 69171 HDBHSQMIHPDLEP-UHFFFAOYSA-N 260.702 1.491 0 30 CDAC Cc1csc(NC(=O)C(F)(F)F)c1C(N)=O 80384 BXWCXPILNUOWHH-UHFFFAOYSA-N 252.217 1.656 0 30 CDAC N[C@@H](Cc1ccccn1)[C@@H]1COc2ccccc2O1 88531000 XECVDHNODJITAV-WFASDCNBSA-N 256.305 1.791 0 30 CDAC in-vitro O=C(O)[C@H]1CCCN(C(=O)c2ccnc3cc[nH]c23)CC1 2265364170 MVJRVQWHVNLOHE-JTQLQIEISA-N 287.319 1.890 0 30 CDAC CC(C)(C)OC(=O)N1CCC(c2nnc(CO)o2)CC1 95616806 XQXKVCGBQIMRDI-UHFFFAOYSA-N 283.328 1.676 0 30 CDAC O=C(N[C@H]1COC[C@H](O)C1)OCc1ccccc1 143810766 TWEONXIENGFSEX-VXGBXAGGSA-N 251.282 1.063 0 30 CDAC COC(=O)[C@@H]1C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 381980215 MLQGVKOJXVIEKS-YWVKMMECSA-N 283.324 1.232 0 30 CDAC O=C(c1ccccc1Br)[C@H]1CNCCO1 147822766 MVJNDPJFMMTQIR-SNVBAGLBSA-N 270.126 1.620 0 30 CDAC O=C(NC1CN([C@H]2CCCNC2)C1)OCc1ccccc1 35572041 ODOYXVORPSUJTQ-HNNXBMFYSA-N 289.379 1.349 0 30 CDAC NC(=O)CN1C(=O)/C(=C\c2ccco2)N=C1c1ccccc1 4335469 YQBWXRWACPTWAA-UKTHLTGXSA-N 295.298 1.395 0 30 CDAC CC(C)(C)OC(=O)N[C@H](CO)CC1CCOCC1 114942710 QKROPQUBOADSEC-NSHDSACASA-N 259.346 1.689 0 30 CDAC O=C1c2ccccc2C(=O)N1C1(c2nc[nH]n2)CCC1 96034452 FDGCUZFWBJLCFK-UHFFFAOYSA-N 268.276 1.480 0 30 CDAC CCOCCOCCOCCOCCOCC 5650744 HYDWALOBQJFOMS-UHFFFAOYSA-N 250.335 1.109 0 30 CDAC in-vivo C[C@@H](NC[C@@H](O)c1ccc(O)c(O)c1)C(Cl)Cl 114222118 CLQDDCYCLSEGQD-LHLIQPBNSA-N 280.151 1.913 0 30 CDAC CCOC(=O)[C@@]12CCC[C@@](C(=O)OCC)(CC1=O)C(=O)C2 173592 BNHRUAKQHCIHOS-HUUCEWRRSA-N 296.319 1.201 0 30 CDAC O=C(N[C@H]1CCOC[C@H]1O)OCc1ccccc1 706729112 NNPZVJYFQGRHEV-NWDGAFQWSA-N 251.282 1.063 0 30 CDAC CC(C)(C)OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 90636303 QBHYFUOPAJPPMX-UHFFFAOYSA-N 276.292 1.032 0 30 CDAC CCCCC[C@@H]([C@@H](CCO)CC(=O)O)N1C=NCC1 585138852 OPKMDTROCAVYII-STQMWFEESA-N 270.373 1.753 0 30 CDAC Cc1cc(CNC(=O)c2cccc3nsnc23)n(C)n1 12340960 OIHOHWWUBQYUKP-UHFFFAOYSA-N 287.348 1.663 0 30 CDAC COc1cc(Br)c(OC)c(CCN)c1 214631402 SLSAHFIZPNPKDZ-UHFFFAOYSA-N 260.131 1.968 0 30 CDAC O=C(O)c1cnn([C@H]2CCCOC2)c1C(F)(F)F 97139155 HVZGSWZNJAIDCJ-LURJTMIESA-N 264.203 1.952 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCc2nc(=N)[nH]cc21 2265385458 ZZDBKBPAPRDTNM-VIFPVBQESA-N 250.302 1.401 0 30 CDAC CCCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O 38604522 DAZZOIFMRJXUJM-IUCAKERBSA-N 260.286 1.515 0 30 CDAC Cc1[nH]nc(I)c1C(=O)O 521399264 UDNVUZNQUFXWPE-UHFFFAOYSA-N 252.011 1.021 0 30 CDAC O=C(O)[C@@H]1CC2(COC(c3ccccc3)OC2)[C@@H]1C(=O)O 136566 QNLIMAVCEHFZOL-YFEARMNXSA-N 292.287 1.524 0 30 CDAC Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)O 6737703 BPDVFUUQKLZILZ-UHFFFAOYSA-N 270.292 1.912 0 30 CDAC CCn1c(O)nc2ccccc2c1=NC(=O)C(C)C 253498077 SOSUCWFVMQGTBT-UHFFFAOYSA-N 259.309 1.845 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCNCC2)C1 258519115 LXBSANNSCSHVDB-NEPJUHHUSA-N 269.389 1.337 0 30 CDAC C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@H]1C 1083674422 CBRJPFGIXUFMTM-GHMZBOCLSA-N 285.351 1.935 0 30 CDAC CCOC(=O)Cc1ccc(OC[C@H](O)CNC(C)C)cc1 35645482 ODIXSDYNGSUACV-CQSZACIVSA-N 295.379 1.530 0 30 CDAC in-vitro CCC(=O)c1c(C)nn(CCS(C)(=O)=O)c1C 54716377 LIJPGLDQWUOUAR-UHFFFAOYSA-N 258.343 1.137 0 30 CDAC in-vitro NC(=O)[C@H]1CCCN(c2ccc(Br)cn2)C1 42356590 XSJQEYPKQQIPAU-QMMMGPOBSA-N 284.157 1.546 0 30 CDAC COC(=O)[C@]12CNC[C@@H]1CCN(C(=O)OC(C)(C)C)C2 712811255 UXSZAVAYIFFBBB-HZMBPMFUSA-N 284.356 1.006 0 30 CDAC Cc1nc2cccc(B(O)OC(C)(C)C(C)(C)O)c2o1 2265362154 SUAKCPIIGIHQOP-UHFFFAOYSA-N 277.129 1.390 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2CN 675080940 XYYZXQOMVJWNJF-GWCFXTLKSA-N 256.346 1.361 0 30 CDAC COC(=O)c1ccc2c(c1)[nH]c(=O)n2C(=O)c1ccccc1 72232990 XYRZYOFCAMYSMF-UHFFFAOYSA-N 296.282 1.805 0 30 CDAC CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(CC(=O)O)cc1 223554108 ZAXKSTCANCQSEB-OKILXGFUSA-N 288.347 1.232 0 30 CDAC O[C@@H](CN1CCCC1)Cn1ccc(C(F)(F)F)n1 117340 BITXQCCVUCXHRC-VIFPVBQESA-N 263.263 1.359 0 30 CDAC CC1(C)O[C@H]2/C(=C/CO)C=C[C@@]3(COC(C)(C)O3)[C@H]2O1 2265352114 QXZJPMVUUBAWMO-QXFPQVRUSA-N 282.336 1.517 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 83242825 QBSCLEPVLRCPHJ-LKFCYVNXSA-N 297.355 1.232 0 30 CDAC O=C(O)CN1CC(=O)N(c2cccc(Cl)c2)C1=O 82317980 AWLXSNKKTDEDHJ-UHFFFAOYSA-N 268.656 1.193 0 30 CDAC O=C(O)c1cccc2c(I)n[nH]c12 616569166 ODANIVBMKQXBIK-UHFFFAOYSA-N 288.044 1.866 0 30 CDAC O=C1CNC(=S)N1CCc1ccc(Cl)cc1 76822 LCUHPBFCDSMQFA-UHFFFAOYSA-N 254.742 1.599 0 30 CDAC COC1=C[C@@]23C[C@@H](Cc4cc(OC)ccc42)NCC3=CC1=O 33873383 OPZBCQLVINGBBX-FZKQIMNGSA-N 297.354 1.890 0 30 CDAC CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@H]2C1=O 2307631 ABNVHVKLRCQXOW-IPDRBYILSA-N 289.331 1.149 0 30 CDAC COC(=O)c1nc(Cl)cc(Br)c1N 114046753 GQTSDNNJZKLQTK-UHFFFAOYSA-N 265.494 1.866 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 256072882 XYLRDISIBZDXIN-BGZDPUMWSA-N 257.286 1.142 0 30 CDAC COC(=O)N1CCC(Nc2ccccc2)(C(N)=O)CC1 33608479 SUAURJQKXAYYPZ-UHFFFAOYSA-N 277.324 1.185 0 30 CDAC C[C@H](CO)NS(=O)(=O)c1ccccc1Br 35611159 GMCKLCQCMOOICW-SSDOTTSWSA-N 294.170 1.108 0 30 CDAC COC(=O)[C@](C)(O)c1cccc(Br)c1 50974054 BFSGTXGMPFIOLW-SNVBAGLBSA-N 259.099 1.830 0 30 CDAC in-vitro NC[C@]1(c2ccc(Br)cc2)C[C@@H]1CO 132846708 VCVCUPUSGXREJJ-KOLCDFICSA-N 256.143 1.658 0 30 CDAC CCOC(=O)NC(=O)C(C#N)=NNc1ccc(F)cc1 254308486 JIIDPSPQDAXAGC-UHFFFAOYSA-N 278.243 1.390 0 30 CDAC Cn1nccc1NS(=O)(=O)c1cccc(Cl)c1 116715 XTRRHAGONXMDII-UHFFFAOYSA-N 271.729 1.874 0 30 CDAC O=Cc1nc2ccc(I)cc2[nH]1 199623129 SLBGVFFFQQVNPG-UHFFFAOYSA-N 272.045 1.980 0 30 CDAC Cc1n[nH]c2c1N(c1ccccc1)C(=O)CC(=O)N2C 2024 RHZDHINXKVZTEF-UHFFFAOYSA-N 270.292 1.749 0 30 CDAC in-man Cn1cnc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 155950 JFLDVHXMLKPMDA-UHFFFAOYSA-N 276.321 1.702 0 30 CDAC COc1ccc(C=C2SC(=O)NC2=O)cc1O 2265228153 MHRJJGJJVMGLRQ-UHFFFAOYSA-N 251.263 1.725 0 30 CDAC Cc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)n1 44295175 WISHGICBZQJVQX-LLVKDONJSA-N 280.324 1.910 0 30 CDAC O=S(=O)(NC[C@H](O)c1ccccc1)c1ccccc1 152730 LMJZCTODAKKBBT-AWEZNQCLSA-N 277.345 1.699 0 30 CDAC COC(=O)C[C@H]1C(=O)CCN1C(=O)OC(C)(C)C 221287583 ICFRRXXRVFQEGV-QMMMGPOBSA-N 257.286 1.128 0 30 CDAC CCOC(=O)NC(=O)C(C#N)=NNc1ccc(Cl)cc1 263627557 LNUCKPDKUPPDSU-UHFFFAOYSA-N 294.698 1.904 0 30 CDAC COC(=O)c1nc2cc(Br)ccc2[nH]c1=O 90513763 NBAGDPHZGJSBTB-UHFFFAOYSA-N 283.081 1.472 0 30 CDAC CCOC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1 221135879 JISNWYDETMHNFI-CQSZACIVSA-N 262.353 1.414 0 30 CDAC Clc1ncc(N2CCNCC2)cc1Br 13703893 SKKUGGANPAFLLZ-UHFFFAOYSA-N 276.565 1.907 0 30 CDAC N=C(N)NCCC[C@@H]1NCCc2c1[nH]c1ccccc21 6117792 NMPAXZOTIQZCEM-ZDUSSCGKSA-N 271.368 1.618 0 30 CDAC S=C(NCc1ccco1)n1nnc2ccccc21 6476844 CQBSZTNBAGBXHL-UHFFFAOYSA-N 258.306 1.947 0 30 CDAC COc1ccc(CN2CCC[C@@H](OC(C)=O)C2=O)cc1 91356065 GYASHAULZKOHPU-CQSZACIVSA-N 277.320 1.749 0 30 CDAC Ic1cccc2c1CNCC2 199725411 FRTJFZNISNIDEQ-UHFFFAOYSA-N 259.090 1.937 0 30 CDAC C=CCC1(CC=C)C(=O)N(CC(=O)OCC)C(=O)N=C1O 33856525 SOWQIXNBDCSFAZ-UHFFFAOYSA-N 294.307 1.607 0 30 CDAC O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cccs1 71793132 QFQGWRWEAGNSDM-LUTQBAROSA-N 277.345 1.887 0 30 CDAC COc1cc(Br)cc(CCN)c1OC 44397736 YZRUNEIBGYBZHT-UHFFFAOYSA-N 260.131 1.968 0 30 CDAC COc1cc(OC)c(Cn2nccc2N)c(OC)c1 36961673 UEFGZLNOJKWKKZ-UHFFFAOYSA-N 263.297 1.539 0 30 CDAC in-vitro CCOC(=O)c1c(C)nn(C)c1N[C@@H]1CCCC[C@@H]1N 725712426 STISHIYTJGMPFK-WDEREUQCSA-N 280.372 1.587 0 30 CDAC CN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 36880981 AGCBTVPOGKFJMO-SNVBAGLBSA-N 254.355 1.507 0 30 CDAC in-vitro COc1ccc(CCNC(=O)C=CC(=O)O)cc1OC 6007211 JPUUXDFBHSYRHR-UHFFFAOYSA-N 279.292 1.003 0 30 CDAC CCOc1ccc(Cn2c(=O)[nH]cc(F)c2=O)cc1Cl 33639234 CMRUJPPNOZNWTJ-UHFFFAOYSA-N 298.701 1.776 0 30 CDAC CC(C)(C)OC(=O)N1Cc2cncn2[C@@H](C(=O)O)C1 310007159 WJCYZEZVBMBACS-SECBINFHSA-N 267.285 1.260 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)NC(=O)NC1=O 498051151 YJJSPJSDFHVMIJ-QRJZZWFUSA-N 295.339 1.127 0 30 CDAC CC(C)(O)[C@H]1Cc2cc3ccc(=O)oc3c(O)c2O1 14689153 FVFQELHSZVFPDZ-SECBINFHSA-N 262.261 1.573 0 30 CDAC endogenous,in-man CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1N1CCC(N)CC1 888084702 DMCRIWJAYVYLLO-QWHCGFSZSA-N 283.416 1.855 0 30 CDAC CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H]2O1 105022314 WKRBIHIDJVMVGS-HKUMRIAESA-N 294.303 1.081 0 30 CDAC NC(=S)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 71790354 RPVABHATHZCRFF-LLVKDONJSA-N 280.349 1.310 0 30 CDAC in-vitro CC(C)(C)OC(=O)CC[C@]1(C2CC2)NC(=O)NC1=O 1857792992 XDNFTLZNOGLYAA-CYBMUJFWSA-N 268.313 1.097 0 30 CDAC COCCCOC(=O)CCCCC(=O)OCCCOC 33609174 SJQDRHYTRQQLHY-UHFFFAOYSA-N 290.356 1.706 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H](C(=O)O)O2)C1 238145452 MSDHAJLDASVPDN-NOZJJQNGSA-N 271.313 1.630 0 30 CDAC NC(=O)/C(=N/NC(N)=S)c1cccc(Cl)c1Cl 111906729 MADAFGZOISGUPF-VGOFMYFVSA-N 291.163 1.016 0 30 CDAC NC(=O)OCC(Cl)(Cl)[C@H](O)c1ccccc1 2039752 KIUGWPDQHKXJHE-MRVPVSSYSA-N 264.108 1.989 0 30 CDAC O=C1NC(=O)[C@]2(C[C@@H](O)c3cc(Br)ccc32)O1 1776034319 ZFGQJQXMVHWYRI-LDYMZIIASA-N 298.092 1.348 0 30 CDAC O=C1COCC(=O)N1Cc1csc2ccccc12 102844 JWPMPXUZYRLNSP-UHFFFAOYSA-N 261.302 1.787 0 30 CDAC COCNC(=O)CCC(=O)OCc1ccccc1 1307267283 WCPRCHKVXSKVPT-UHFFFAOYSA-N 251.282 1.230 0 30 CDAC O=C(O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2 34516165 RYUQENSIGWALAD-UHFFFAOYSA-N 284.315 1.631 0 30 CDAC Cc1cc(Br)ccc1C(=O)N1CCNCC1 37869087 JPPPZQWQOYPLMW-UHFFFAOYSA-N 283.169 1.803 0 30 CDAC in-vitro CC1(C)N=C(N)N=C(N)N1c1cccc(C(F)(F)F)c1 98181 MMFKOLPHNNHIDJ-UHFFFAOYSA-N 285.273 1.891 0 30 CDAC COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC(N)CC1 146294606 IOVITUHRWHBMGQ-ILDUYXDCSA-N 286.372 1.570 0 30 CDAC CC1(C)ONC(=O)N(CCc2cccs2)C1=O 78331 XKQISXTZCKTUGW-UHFFFAOYSA-N 254.311 1.553 0 30 CDAC CCOC(=O)c1c[nH]c(-c2cccs2)nc1=O 13469797 UBNYZBKFNMZPBE-UHFFFAOYSA-N 250.279 1.675 0 30 CDAC NS(=O)(=O)c1cccc(Cl)c1OC(F)F 396155900 GYTQTIIECRUSRD-UHFFFAOYSA-N 257.645 1.589 0 30 CDAC O=C(O)COCC(=O)Nc1ccccc1C(F)(F)F 147017 UDJJUYWVWJBRHB-UHFFFAOYSA-N 277.198 1.745 0 30 CDAC O=Cc1cc(C(F)(F)F)ccc1N1CCNCC1 8698494 UMGMSCCPRIXMKR-UHFFFAOYSA-N 258.243 1.928 0 30 CDAC O=C(O)c1c(F)cncc1I 306630616 KRZIRDMXYUOKRN-UHFFFAOYSA-N 266.997 1.524 0 30 CDAC COC(=O)C(=CNc1cc(F)ccc1C)n1cncn1 2265276911 QLEAYHKIKIXVIH-UHFFFAOYSA-N 276.271 1.809 0 30 CDAC O=C(O)CCCC(=O)Nc1cccc(F)c1C(=O)O 118178 MGUFJKBIEYDWLI-UHFFFAOYSA-N 269.228 1.717 0 30 CDAC CNc1nc(Cl)c(SC)c(N2CCNCC2)n1 5996623 ILNSRQWEUTXPPQ-UHFFFAOYSA-N 273.793 1.303 0 30 CDAC O=C(N[C@@H]1COC[C@H](O)C1)OCc1ccccc1 143811180 TWEONXIENGFSEX-NWDGAFQWSA-N 251.282 1.063 0 30 CDAC Cn1ncc2c1CN(C(=O)OC(C)(C)C)[C@H]2C(=O)O 145053675 ZDFSHRAKGOOEMY-SECBINFHSA-N 267.285 1.297 0 30 CDAC CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)OC(C)(C)C 2580819 POVSXRROQRAHHS-JTQLQIEISA-N 289.372 1.994 0 30 CDAC CC(C)(C)OC(=O)N1CC(NC[C@@H]2CCCO2)C1 71335291 GMRCTYAUYKECEW-NSHDSACASA-N 256.346 1.374 0 30 CDAC O=C(O)[C@H]1C[C@@H]1C(=O)N1CCOC12CCCCC2 41084 HXCLLYRUIXUTKJ-UWVGGRQHSA-N 253.298 1.226 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)F)C1 253180245 CXLBNZMVYLXSHY-RNFRBKRXSA-N 265.256 1.819 0 30 CDAC CN(C)/C=C/C(=O)C1CN(C(=O)OC(C)(C)C)C1 201951719 GRZRDEFGROCFOZ-VOTSOKGWSA-N 254.330 1.498 0 30 CDAC COc1ccc(N2CC[C@@H](N3CCCC3)C2=O)cc1 6018311 TWAYYLLFOQXVJV-CQSZACIVSA-N 260.337 1.896 0 30 CDAC CC(C)[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2040316 AXXCGIMLMVLZKI-SNVBAGLBSA-N 252.314 1.670 0 30 CDAC COc1cc2c(cc1OC)CN(CCCCN)CC2 11953292 HGKUCNGRZSPDQU-UHFFFAOYSA-N 264.369 1.801 0 30 CDAC CO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@@H]1[C@H]1COC(C)(C)O1 223502704 GPNUVPVTXHBPJI-APLZJWDSSA-N 274.313 1.029 0 30 CDAC Cc1ccc(S(=O)(=O)NCCCN(C)C)c(C)c1F 3170833 MNPWAJPNKSIPOH-UHFFFAOYSA-N 288.388 1.673 0 30 CDAC Cc1ncc(CN2CS[C@@H](CCO)[C@H]2C)c(N)n1 13516875 UHDJMGZAZNFDEZ-KCJUWKMLSA-N 268.386 1.013 0 30 CDAC CCOC(=O)C(=CNc1cc(C)no1)C(=O)OCC 4300650 HLXUSQLXXZLLDV-UHFFFAOYSA-N 268.269 1.405 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccnc(Cl)c1F 195756955 FRMJQVXWBNKBNE-UHFFFAOYSA-N 275.516 1.128 0 30 CDAC CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC12CCOCC2 2265385173 LMXGEMRRACFTAO-VIFPVBQESA-N 271.313 1.630 0 30 CDAC Ic1ccc2c(c1)CCNC2 66055210 SNDQNGCYGQWMEN-UHFFFAOYSA-N 259.090 1.937 0 30 CDAC NC1=C2CCCC[C@H]2N(c2ccc3c(c2)OCO3)C1=O 100486374 DFSVLWDYYFZROH-LLVKDONJSA-N 272.304 1.917 0 30 CDAC O=C1c2cccc3oc(=O)n(c23)C[C@H]1Br 39136266 RAQSFRRDKQFUTI-ZCFIWIBFSA-N 268.066 1.554 0 30 CDAC Cc1c(C(=O)O)cnn1CCO[C@H]1CCCCO1 88611612 AAXWPWINDWOHQI-NSHDSACASA-N 254.286 1.433 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CCN[C@@H](CCC(=O)O)C1 211957544 PBLSCSQJRNLMLQ-VIFPVBQESA-N 258.318 1.060 0 30 CDAC CC(=O)Nc1ccc(F)cc1B(O)OC(C)(C)C(C)(C)O 200319090 WFYXWNBTSAMVEH-UHFFFAOYSA-N 297.135 1.038 0 30 CDAC CS(=O)(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl 38063804 ORXUSXFGLYTYSX-UHFFFAOYSA-N 297.163 1.559 0 30 CDAC CC(C)(C)OC(=O)N1CC(c2cc(CO)on2)C1 384283893 CHOCUKKCGXCCBS-UHFFFAOYSA-N 254.286 1.501 0 30 CDAC CC[C@H](C)SCC1(CC)C(=O)NC(=O)NC1=O 5651419 KRDGQYQCMLUDFU-ZETCQYMHSA-N 258.343 1.281 0 30 CDAC CC(C)(C)OC(=O)NCC[C@]1(CC(=O)O)COCCO1 756957712 DGBNAPZEFHPHAV-ZDUSSCGKSA-N 289.328 1.162 0 30 CDAC CC(C)(C)OC(=O)NCCN1C(=O)CC2(CCCC2)C1=O 4299371 SHRSIJIUROGOAE-UHFFFAOYSA-N 296.367 1.830 0 30 CDAC Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)O 142352453 HWSIBFRGHAELHY-UHFFFAOYSA-N 269.301 1.784 0 30 CDAC Cn1cc(Br)c(I)n1 86788656 GTKBPHHQPCLNAL-UHFFFAOYSA-N 286.898 1.787 0 30 CDAC CCOC(=O)[C@@H](N)Cc1csc(Br)c1 259680714 SDJMQGWDFXDBGI-ZETCQYMHSA-N 278.171 1.944 0 30 CDAC CC(C)(C)OC(=O)C[C@H](CO)NC(=O)OC(C)(C)C 2382823 VYLKHZZDXASXLR-SECBINFHSA-N 275.345 1.604 0 30 CDAC N=c1c2c(F)cccc2ncn1NC(=O)c1ccncc1 4335986 IJOICRJECZOHNZ-UHFFFAOYSA-N 283.266 1.434 0 30 CDAC CC(=O)c1ccc(OCCN2CCOCC2)cc1O 31771286 VKRLXEQXNWVQTR-UHFFFAOYSA-N 265.309 1.306 0 30 CDAC CC(=O)O[C@@H]1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 521399373 ACVZGCXQDCEPME-JHJVBQTASA-N 273.288 1.123 0 30 CDAC CC[C@H](C)[C@H](NC(=O)OCC(F)(F)F)C(=O)O 40503348 NVBQSEZINIWQIX-WDSKDSINSA-N 257.208 1.774 0 30 CDAC CNCc1cnn2c1CN(C(=O)OC(C)(C)C)CC2 708087923 FHPMILRFKYAYHD-UHFFFAOYSA-N 266.345 1.353 0 30 CDAC COC(=O)c1ccc(OC(=S)N(C)C)cc1O 33636983 HUUAMQCGSPKFSI-UHFFFAOYSA-N 255.295 1.404 0 30 CDAC Cc1c(C(C)C)c(=O)on1C(=O)N1CCC(=O)CC1 26937519 YQGSMIHIFOUGQP-UHFFFAOYSA-N 266.297 1.506 0 30 CDAC COc1cccc(C=C2SC(=O)NC2=O)c1O 2265272100 YWULELJUDXQYSW-UHFFFAOYSA-N 251.263 1.725 0 30 CDAC Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)O 20446365 NPUJTINVIRSXNI-VIFPVBQESA-N 254.286 1.375 0 30 CDAC in-vitro CC(C)(C)OC(=O)NC1(C(=O)O)CC2(CCOC2)C1 2265385262 XZSPEJALGWSVIN-UHFFFAOYSA-N 271.313 1.535 0 30 CDAC CC(C)(C)OC(=O)Nc1cccc(S(N)(=O)=O)n1 2265385233 UGIOEFJWERYLLY-UHFFFAOYSA-N 273.314 1.076 0 30 CDAC CCOC(=O)CC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C 221047616 HKSPJPBJWYOPKW-VIFPVBQESA-N 273.329 1.764 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](n2cccn2)[C@@H](O)C1 2265384430 BHNXZHRDZDVCSM-QWRGUYRKSA-N 267.329 1.426 0 30 CDAC c1cc2c(cc1[C@@H]1NN=C3C4CCN(CC4)[C@@H]31)OCO2 20421367 OQPDZSYJAMIZHS-GJZGRUSLSA-N 271.320 1.510 0 30 CDAC CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 950757591 ZRRVUNJHPYMNEM-IWSPIJDZSA-N 257.286 1.791 0 30 CDAC O=S(=O)(O)CCc1cccc[n+]1Cc1ccccc1 34064975 LJVDBAUGXHRHIS-UHFFFAOYSA-O 278.353 1.453 0 30 CDAC COC(=O)C=C=Cc1ncc(Br)cn1 642881848 WACCPDNUWKCWGA-UHFFFAOYSA-N 255.071 1.580 0 30 CDAC COC(=O)COc1ccccc1I 35234323 GUWJBVMGRNLEJN-UHFFFAOYSA-N 292.072 1.843 0 30 CDAC COc1cccc(C(=O)NC(=O)c2ccccc2O)c1 155898 KFKCHAZDYMJZOR-UHFFFAOYSA-N 271.272 1.971 0 30 CDAC COC[C@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 307563018 MCVXVAOZGZKJGE-OLZOCXBDSA-N 265.309 1.405 0 30 CDAC CC(C)(C)OC(=O)N1CCN2C[C@@H](CN)CC[C@@H]2C1 95751996 VUWPNRUCYRWZRC-VXGBXAGGSA-N 269.389 1.276 0 30 CDAC CCOC(=O)N[C@@H](COc1ccc(F)cc1F)C(=O)O 145774699 RDKRPNPZCOGSKF-VIFPVBQESA-N 289.234 1.543 0 30 CDAC Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 90588115 XCASTYYLIOUMKF-UHFFFAOYSA-N 298.350 1.367 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1C[C@H](N)C12CCOCC2 723539101 GNKZZXVIXSZHND-UWVGGRQHSA-N 256.346 1.408 0 30 CDAC CC(=O)OC/C=C\CN1C(=O)c2ccccc2C1=O 222797880 JVCOCWGBTWYUMM-PLNGDYQASA-N 259.261 1.402 0 30 CDAC O=C(O)C1CC(Br)(Br)C1 669372749 YZFOHXLYXYMKPH-UHFFFAOYSA-N 257.909 1.967 0 30 CDAC COC(=O)c1cc(Br)cc(S(C)(=O)=O)c1 116347020 DQAABAZUHVDUMR-UHFFFAOYSA-N 293.138 1.639 0 30 CDAC Cc1nn(C)c2c1CN(C(=O)OC(C)(C)C)[C@@H](CO)CO2 725712218 GIAZLHDSXJGMRO-JTQLQIEISA-N 297.355 1.219 0 30 CDAC COC(=O)[C@@H](N)Cc1cc(F)c(F)c(F)c1F 44329308 XPNBUNIBPCJBGN-LURJTMIESA-N 251.179 1.286 0 30 CDAC COc1cc(NC(=O)/C=C/C(=O)O)cc(OC)c1OC 97521 NCCOTNSEGGTESY-SNAWJCMRSA-N 281.264 1.292 0 30 CDAC CCOC(=O)C[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 34472469 BTSXUUIYWQKWPG-BDAKNGLRSA-N 261.318 1.214 0 30 CDAC C[C@H](O)CNC[C@]1(C)C[C@H](NC[C@@H](C)O)CC(C)(C)C1 38637561 JTURHGQTASTBFY-DSJMHWKBSA-N 286.460 1.512 0 30 CDAC NCCN=[S@](=O)(c1ccccc1)C(F)(F)F 400332109 BZKOZRCBWYZGFG-INIZCTEOSA-N 252.261 1.992 0 30 CDAC Cc1c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cnn1C 44318369 RVMAEAQJLVOSAQ-JTQLQIEISA-N 283.328 1.249 0 30 CDAC CSC[C@@H]1COc2c(c(C(F)(F)F)nn2C)CN1 725712237 KUWYOKRTOFYOJP-LURJTMIESA-N 281.303 1.653 0 30 CDAC CN(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 888084707 DXKJTABNOQSBTK-MNOVXSKESA-N 258.362 1.166 0 30 CDAC CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@H]1C(F)(F)F 101745770 KJGSUQDOMSXKIH-MLUIRONXSA-N 269.219 1.917 0 30 CDAC O=C(O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1 44959992 BKZTYDHPHFAKSZ-UHFFFAOYSA-N 268.212 1.564 0 30 CDAC CC(C)(C)[N+]([O-])=Cc1ccccc1S(=O)(=O)O 13912678 UEDWDOQXHOTTRB-UHFFFAOYSA-N 257.311 1.661 0 30 CDAC O=C(N[C@H](O)C(=O)c1ccccc1)c1cccnc1 33754709 QBAYVSXXBZQKOQ-CQSZACIVSA-N 256.261 1.013 0 30 CDAC COc1c2c(cc(Br)c1C(=O)O)OCO2 2265352161 UGQRQWYTTMTVOZ-UHFFFAOYSA-N 275.054 1.885 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cscn1 59234806 MNEUWKACNDMYIZ-ZETCQYMHSA-N 258.299 1.794 0 30 CDAC CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1 104830544 BEBCEUHYFOZHBR-PELKAZGASA-N 259.302 1.486 0 30 CDAC COC[C@@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 114552 LPLUMFPBJGLPKS-SECBINFHSA-N 262.309 1.941 0 30 CDAC Nc1c(I)cnn1Cc1ccco1 43666601 LMDYCVCAXVMIFW-UHFFFAOYSA-N 289.076 1.711 0 30 CDAC Brc1cncc(I)n1 237970440 JJQGRUAIPOCESZ-UHFFFAOYSA-N 284.882 1.844 0 30 CDAC C[C@H](O)CNC[C@]1(C)C[C@H](NC[C@H](C)O)CC(C)(C)C1 256532380 JTURHGQTASTBFY-TTZDDIAXSA-N 286.460 1.512 0 30 CDAC O=C(O)[C@]1(C(F)(F)F)CCN(c2ccccn2)C1 584843872 UXBRGLMHYGJSOM-JTQLQIEISA-N 260.215 1.925 0 30 CDAC Cc1cc2c(=O)c(C(=O)O)cn([C@H](C)C(=O)O)c2s1 35570275 VDKMYZFUGQNTFY-ZCFIWIBFSA-N 281.289 1.715 0 30 CDAC O=C(O)CC[C@H]([C@@H](CC(=O)O)c1ccccc1)[N+](=O)[O-] 90469695 GESPDRVBWUJHEY-WDEREUQCSA-N 281.264 1.755 0 30 CDAC CO[P@@](=O)(OCCN(C)C)OC[C@H]1COC(C)(C)O1 22002382 OLYLDTWYTVWVGU-DGIBIBHMSA-N 297.288 1.487 0 30 CDAC CCN(CC)C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccccc1 5845839 BQWDCWDJASHHKV-ZDUSSCGKSA-N 288.347 1.686 0 30 CDAC CCOC(=O)c1ccc(NC(=O)C2CCNCC2)cc1 40858962 ZOQLTMHXBZYTKN-UHFFFAOYSA-N 276.336 1.801 0 30 CDAC NCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 96332107 FUXNWQATJWMFRL-UHFFFAOYSA-N 295.342 1.441 0 30 CDAC CCOc1nsc(C(N)=O)c1Br 141192049 KDMDMRQXNBPVDI-UHFFFAOYSA-N 251.105 1.403 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 238196006 XYLRDISIBZDXIN-HXFLIBJXSA-N 257.286 1.142 0 30 CDAC COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@H](C)CN1CC2 223482518 KOFFSNPIPMAPHF-HONMWMINSA-N 276.380 1.970 0 30 CDAC C[C@@H]1Cc2cc(C3=NN[C@](O)(C(F)(F)F)C3)ccc2O1 114756 FXUQHRFZFYKPLC-JMCQJSRRSA-N 286.253 1.958 0 30 CDAC Cc1c(Cl)cccc1NC(=S)N(N)CCO 145145 FWNHYVRSIXRMMV-UHFFFAOYSA-N 259.762 1.513 0 30 CDAC COC(=O)c1ccc2ncc(Br)cn12 238401144 NMJBYRYJXBJJGF-UHFFFAOYSA-N 255.071 1.883 0 30 CDAC in-vitro CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)ON 223769950 CGROAEYQCVJEDU-JTQLQIEISA-N 253.258 1.448 0 30 CDAC O=C(O)[C@@H]1CC(=O)N(c2ccc(-c3csnn3)cc2)C1 112602 QPPQTCPAYIJQOK-SECBINFHSA-N 289.316 1.643 0 30 CDAC CC(=O)N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O 5167466 SRHPKORNWUUECV-LBPRGKRZSA-N 262.265 1.005 0 30 CDAC Cc1ccc2c(c1)C(=O)O[C@]1(O)c3ccccc3C(=O)N21 103762 MRLVOQUWWMODTE-MRXNPFEDSA-N 281.267 1.928 0 30 CDAC CC(=O)OCCN(CCN(C)c1ccccc1)C(C)=O 223772949 KJVYRJVVNKFJCN-UHFFFAOYSA-N 278.352 1.534 0 30 CDAC COC(=O)c1ccc(N2CC3(CCNCC3)CC2=O)cc1 113489956 YXBCXUXNQFSJQE-UHFFFAOYSA-N 288.347 1.580 0 30 CDAC CC[S@@](=O)CC[C@H](Nc1ccccc1)C(=O)O 2265351805 UETZTCYIGYZMKO-APPDUMDISA-N 255.339 1.710 0 30 CDAC CCOC(=O)C[C@H]1C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 2265385461 XCNCDUWMTDIUOL-BDAKNGLRSA-N 287.312 1.402 0 30 CDAC COc1nc(Cl)nc(NC[C@@H](CC(C)C)C(=O)O)n1 94703483 WTSJDBNIFXCUSK-SSDOTTSWSA-N 288.735 1.692 0 30 CDAC C=C[C@H](C(=O)OC)C(=O)N(C)c1ccc(SC)o1 39127336 YSGDJGVDAQQJIV-QMMMGPOBSA-N 269.322 1.940 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccc(CO)c1Cl 575321430 MWJCBGAPPRCWBV-UHFFFAOYSA-N 286.564 1.086 0 30 CDAC O=C(O)COc1c(C(=O)O)sc2ncccc12 14954936 JGZSWLHKOMFYHS-UHFFFAOYSA-N 253.235 1.458 0 30 CDAC in-vivo CC(C)(C)OC(=O)N1CCc2nc(CN)sc2C1 62716725 MFZCRQSLRMVAGC-UHFFFAOYSA-N 269.370 1.895 0 30 CDAC Cc1cc(S(N)(=O)=O)cc(Br)c1F 98095477 BVNCWQFQSIXRBZ-UHFFFAOYSA-N 268.107 1.544 0 30 CDAC O=C1c2ccccc2C(=O)N1[C@@H](CO)[C@H](O)c1ccccc1 174065 WYYYOFSHOBFXNF-LSDHHAIUSA-N 297.310 1.377 0 30 CDAC Cc1ncc(CN2CCSCC2)c(CO)c1O 19924810 VLENVZAOTLPNQX-UHFFFAOYSA-N 254.355 1.137 0 30 CDAC C[C@H]1CCC[C@H](C)N1C(=S)NCCCN1CCOCC1 20458468 NKEASARVOPGOOG-KBPBESRZSA-N 299.484 1.846 0 30 CDAC COC(=O)c1c(Br)ccc2nccn12 260811515 TZMHTXKGFXLZLZ-UHFFFAOYSA-N 255.071 1.883 0 30 CDAC CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@H]2[C@H]1C(=O)O 950757590 ZRRVUNJHPYMNEM-HLTSFMKQSA-N 257.286 1.791 0 30 CDAC COC(=O)[C@H]1CC1(Br)Br 691801107 LYDFHIBOLORUDJ-GSVOUGTGSA-N 257.909 1.665 0 30 CDAC CC1(C)OC[C@@H]([C@@H]2CN(Cc3ccccc3)C(=O)CO2)O1 584879947 QVAIWVKRWAEMPF-KBPBESRZSA-N 291.347 1.566 0 30 CDAC CCOC(=O)NC(=S)Nc1ccsc1C(=O)OC 80469 BJPYVNVYDKYYAV-UHFFFAOYSA-N 288.350 1.978 0 30 CDAC CN1CCN(C(c2cccs2)N2CCN(C)CC2)CC1 19324543 RZBNCCRYRIAZKR-UHFFFAOYSA-N 294.468 1.242 0 30 CDAC COC(=O)c1oc2ccccc2c1NC(=O)C=CC(=O)O 2265270090 QFKWXNCOZCAJQU-UHFFFAOYSA-N 289.243 1.799 0 30 CDAC COC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 669371647 NRKVACIZPOYCQM-DOMZBBRYSA-N 293.319 1.322 0 30 CDAC COC[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 114550 LPLUMFPBJGLPKS-VIFPVBQESA-N 262.309 1.941 0 30 CDAC O=C(O)c1ccc(COCOCc2ccc(C(=O)O)o2)o1 4366779 CZWCYBJHHTYLCO-UHFFFAOYSA-N 296.231 1.960 0 30 CDAC CC(C)(C)C(=O)NC(O)(C(F)(F)F)C(F)(F)F 642882241 IIKVCXURLIDRRW-UHFFFAOYSA-N 267.169 1.962 0 30 CDAC CCOC(=O)c1cnc(N2CCCC2)nc1Cl 196887878 OLBOEMZVTQJTMR-UHFFFAOYSA-N 255.705 1.907 0 30 CDAC CCCSC[C@]1(CC)C(=O)NC(=O)N(C)C1=O 5648431 YXKNPCROSWNCTJ-LLVKDONJSA-N 258.343 1.234 0 30 CDAC COC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 26896744 WJDUKLKAFZTEOQ-JTQLQIEISA-N 273.329 1.576 0 30 CDAC O=C1CNC(=S)N1CCOc1ccc(Cl)cc1 76947 MAHSDCVDYBLDFS-UHFFFAOYSA-N 270.741 1.436 0 30 CDAC O=c1cc(CO)n(-c2cccc(Br)c2)cc1O 118902794 VXQGOLFROPTUQB-UHFFFAOYSA-N 296.120 1.798 0 30 CDAC COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2)C[C@@H]1C(=O)O 91351584 OXYAGCGUZQOARP-QWHCGFSZSA-N 293.319 1.001 0 30 CDAC O=C1CCC(=O)N1c1ccccc1N1CCOCC1 153638 TUZYNWCYROEWKP-UHFFFAOYSA-N 260.293 1.177 0 30 CDAC CCCn1c(=O)cc(N)n(-c2ccc(Cl)cc2)c1=O 170756 LEEHIHGZHAYSGX-UHFFFAOYSA-N 279.727 1.645 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCCN(CCC(=O)O)C1 108184150 ZPLUOEHUZZDSND-JTQLQIEISA-N 272.345 1.450 0 30 CDAC COc1ccc2c(c1)CC[C@@H](C(=O)CCC(=O)O)C2=O 100073496 KSHMLERHMKIIQC-LBPRGKRZSA-N 276.288 1.874 0 30 CDAC CCOC(=O)[C@H](N)Cc1cn(C)c2c(OC)cccc12 36374592 ZBYBUVVYVZLHHZ-GFCCVEGCSA-N 276.336 1.620 0 30 CDAC NNc1nc(Cl)ncc1I 2265365060 WVQVJZACSCBGHM-UHFFFAOYSA-N 270.461 1.020 0 30 CDAC COC(=O)c1ccc(OC(=S)N(C)C)cc1OC(C)=O 38647246 GEHCHPPPQGTLNE-UHFFFAOYSA-N 297.332 1.624 0 30 CDAC CCOC(=O)c1cn2nc([C@@H]3CCCNC3)sc2n1 953019275 HEWMIBVQVFUSIB-MRVPVSSYSA-N 280.353 1.435 0 30 CDAC Cc1cc(NC(=N)NC(=N)N)ccc1Br 20459023 DRWSXSZUUAGARS-UHFFFAOYSA-N 270.134 1.587 0 30 CDAC CN[C@@H](C(N)=O)c1cc(OC)ccc1Br 234415108 RPVRUTJDVBUGOX-SECBINFHSA-N 273.130 1.204 0 30 CDAC O=c1c(C(O)(O)C(F)(F)F)coc2ccccc12 36379552 VATVKGLJKLTZLY-UHFFFAOYSA-N 260.167 1.493 0 30 CDAC C[C@@H]1CC(=O)Nc2cc(Br)cnc2N1 86161027 PPRIEYBQUCZNPO-RXMQYKEDSA-N 256.103 1.987 0 30 CDAC CCC(=O)c1ccc(OC[C@H](O)CO)c(OC)c1 458 SUTGJZFFEVGULT-SNVBAGLBSA-N 254.282 1.020 0 30 CDAC in-vitro NC(=O)CC(CC(N)=O)c1c(Cl)cccc1Cl 100103 YILQWHJOWKNDEQ-UHFFFAOYSA-N 275.135 1.828 0 30 CDAC COCCN(CCOC)C[C@@H](N)Cc1ccccc1 48895635 WYXYPMLBMCSUSU-HNNXBMFYSA-N 266.385 1.151 0 30 CDAC CC(C)(C)OC(=O)N1CC(c2ncc(C(=O)O)cn2)C1 95803068 QFYSQDJFSICJHI-UHFFFAOYSA-N 279.296 1.509 0 30 CDAC Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1C 4389245 GJZWQIVQRGJVMQ-NSHDSACASA-N 287.319 1.298 0 30 CDAC CC1(C)C(Br)=C(CO)C(C)(C)N1O 22053237 VSTHJJGLOUGJOS-UHFFFAOYSA-N 250.136 1.890 0 30 CDAC in-vitro COC(=O)C(C(=O)OC)C(C)(C)Br 238854660 OSIQYKGFQWQFLO-UHFFFAOYSA-N 253.092 1.122 0 30 CDAC COC(=O)c1ccc(Br)cc1C(=O)O 149830572 NSESDAAPBUXRSY-UHFFFAOYSA-N 259.055 1.934 0 30 CDAC CC(C)(C)S(=O)(=O)c1cnc(-c2cnccn2)nc1N 149163 UXGGCVDWUXXMPX-UHFFFAOYSA-N 293.352 1.088 0 30 CDAC CCOC(=O)[C@@H]1CCC(=O)[C@@H](C(=O)C(F)(F)F)C1 100443543 GRCQBCQNPYZWLS-RQJHMYQMSA-N 266.215 1.666 0 30 CDAC Cc1ncc(Br)c(O)c1OCC(=O)O 8648844 JMZBJMNZJJYQID-UHFFFAOYSA-N 262.059 1.322 0 30 CDAC CC(C)N[C@@H]1CCc2c(ccc(O)c2CO)[C@H]1O 1845079 BRGJIYTULBITAY-TZMCWYRMSA-N 251.326 1.231 0 30 CDAC COC(=O)[C@H]1OCc2cc(Br)ccc2C1=O 2265384999 ORJAAJPHGTZYQU-JTQLQIEISA-N 285.093 1.704 0 30 CDAC O[C@@]1(C(F)(F)F)CC(c2ccc3c(c2)CCO3)=NN1 114675 YYECUDPGGVBZTK-LLVKDONJSA-N 272.226 1.570 0 30 CDAC CNC(=O)c1ccccc1[S@](=O)c1ccccc1CO 8648614 IJOYLBLADPHCFO-FQEVSTJZSA-N 289.356 1.705 0 30 CDAC Fc1c(CN2CCOCC2)cccc1CN1CCOCC1 20421190 QCECYSXKFLRHKW-UHFFFAOYSA-N 294.370 1.490 0 30 CDAC COC(=O)CS(=O)(=O)c1cccc(Br)c1 47959039 YRTUNRIARCETBZ-UHFFFAOYSA-N 293.138 1.396 0 30 CDAC Cc1ccc(S(=O)(=O)NN=Cc2cccnc2)cc1 8577715 PMQPVPKXDUISEM-UHFFFAOYSA-N 275.333 1.702 0 30 CDAC COCOc1c(OC)ccc(CO)c1Br 2265352240 XOFNTGQJGCWIDT-UHFFFAOYSA-N 277.114 1.933 0 30 CDAC COC(=O)c1cscc1N1C(=O)c2nccnc2C1=O 147849 FZSHZDNFJTXIBW-UHFFFAOYSA-N 289.272 1.125 0 30 CDAC COC(=O)C[S@](=O)c1ccc(Br)cc1 40958307 OZUSHMCEQAEEJK-CQSZACIVSA-N 277.139 1.730 0 30 CDAC Cc1cc(CN2C(=O)c3ccccc3S2(=O)=O)no1 156985 ISCBVTHLPPSFNH-UHFFFAOYSA-N 278.289 1.328 0 30 CDAC COC(=O)[C@H](COC(F)F)NC(=O)OC(C)(C)C 98095478 FQTJCIWFHDXVDA-LURJTMIESA-N 269.244 1.292 0 30 CDAC COc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)O)cc1 87164 TXOUMWIJXYABHL-LBPRGKRZSA-N 276.292 1.750 0 30 CDAC CN(C)c1nc(O)nc(-c2ccc(Cl)cc2)n1 8637128 XSUZMEKRMCWIPJ-UHFFFAOYSA-N 250.689 1.964 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](F)[C@@](F)(C(=O)O)C1 217677825 YCLWQLMUPRBYIC-LHLIQPBNSA-N 251.229 1.368 0 30 CDAC COc1cc(Cl)c(S(N)(=O)=O)cc1Cl 36948714 QTUCWSSCYXNPJH-UHFFFAOYSA-N 256.110 1.649 0 30 CDAC N=C(N)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 72266111 RNXDWJWSELTAQG-LBPRGKRZSA-N 261.325 1.971 0 30 CDAC COC(=O)c1nn(-c2cccc(Cl)c2)cc(OC)c1=O 123183 HVLUMWLEFYTJLV-UHFFFAOYSA-N 294.694 1.681 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)COC[C@H](CN)O2 757137971 PHAPVYMZJHFXMB-NSHDSACASA-N 286.372 1.130 0 30 CDAC O=C(O)C1(NS(=O)(=O)c2cccc(F)c2)CCCC1 37367318 FUQQSQAKGNTXSV-UHFFFAOYSA-N 287.312 1.501 0 30 CDAC O=[N+]([O-])c1ccc(OCCOCCP(=O)(O)O)cc1 142095170 JVNFSTUCIDYAIG-UHFFFAOYSA-N 291.196 1.168 0 30 CDAC CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1N 260710258 JNULORTZABIGPU-MNOVXSKESA-N 286.372 1.524 0 30 CDAC C[C@@H]1CN(c2ccc(N)cc2C(=O)O)C[C@@H](C)O1 139749 NVWAXHKIRNMEJB-RKDXNWHRSA-N 250.298 1.581 0 30 CDAC COC(=O)COc1cc(OC)c(OC)c(OC)c1 346883 WVFIRUQCZJLWQX-UHFFFAOYSA-N 256.254 1.264 0 30 CDAC CCN(CC)CCNC(=O)c1cc(C)c(N)c(C)c1 28755713 WJHLJDJXJNOVDR-UHFFFAOYSA-N 263.385 1.957 0 30 CDAC CCOC(=O)c1c[nH]c2cc(C(C)(C)C)nn2c1=O 100219701 LNYBXNADOPXTGZ-UHFFFAOYSA-N 263.297 1.497 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]1CCCOC1 69551117 GPJZIGYETVHTQK-NXEZZACHSA-N 273.329 1.733 0 30 CDAC CC(C)(C)OC(=O)N1CCc2nc(CO)ncc2C1 142715400 JUMZQVMSTKRQCB-UHFFFAOYSA-N 265.313 1.262 0 30 CDAC COc1ccc(-n2nnnc2-c2cn[nH]c2C)cc1 12339443 GOVWEUAMVJISFE-UHFFFAOYSA-N 256.269 1.369 0 30 CDAC CCc1cccc2c1C(=O)C(=O)N2CC(OC)OC 15042408 ZRLSCKZRSHUWMZ-UHFFFAOYSA-N 263.293 1.397 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](F)[C@](F)(C(=O)O)C1 217677650 YCLWQLMUPRBYIC-LDWIPMOCSA-N 251.229 1.368 0 30 CDAC CC(=O)O[C@@]1(C)COc2ccccc2O[C@H]1C(=O)O 39123598 REEJLJYZXAOKNI-AAEUAGOBSA-N 266.249 1.233 0 30 CDAC O=C1CSCC(=O)N1c1ccc2c(c1)OCO2 101032 NYUKECMZGJVVBE-UHFFFAOYSA-N 251.263 1.022 0 30 CDAC CCCS(=O)(=O)c1ccc2nc(N)n(C)c2c1 5114711 BRNZIDBMIOLNAS-UHFFFAOYSA-N 253.327 1.339 0 30 CDAC CCN(CC)CCn1cnc2cc(C(=O)O)cnc21 5650112 QEPDGBSLJDHUIR-UHFFFAOYSA-N 262.313 1.471 0 30 CDAC O=C(O)CSCC(=O)Nc1cccc(C(=O)O)c1 151381 RRPRHWJWKGWUSB-UHFFFAOYSA-N 269.278 1.141 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc(CN)ccc1Cl 1081083274 RNMJJTGKHHBARH-UHFFFAOYSA-N 285.580 1.052 0 30 CDAC Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 165976 RPPFHWBHHCJZJS-UHFFFAOYSA-N 284.728 1.127 0 30 CDAC O=C(NCCNc1nccc(C(F)(F)F)n1)C1CC1 4299495 IOBAHOYHNRFHFU-UHFFFAOYSA-N 274.246 1.434 0 30 CDAC COC(=O)C[C@H](NC(=O)c1ccc(C)cc1)C(C)=O 38393187 RZINTODIHGEBKN-LBPRGKRZSA-N 263.293 1.246 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc(C2CC2)cc1 204506232 BZBJDBVCLWDCFT-UHFFFAOYSA-N 262.158 1.818 0 30 CDAC CCOC(=O)c1cc(Br)cc(N)c1N 575726321 NYKIOBOYDCEUAY-UHFFFAOYSA-N 259.103 1.790 0 30 CDAC O=CNc1ncc2cc(Br)ccc2n1 91352079 VGAXUVSXBYCGQE-UHFFFAOYSA-N 252.071 1.961 0 30 CDAC N=C(NO)C1CCN(C(=O)OCc2ccccc2)CC1 140703384 XBRPFILKFRENEM-UHFFFAOYSA-N 277.324 1.991 0 30 CDAC CC1(C)CN(CCNC(=O)OC(C)(C)C)CCN1 1235833252 OCCJZBFLJVCSID-UHFFFAOYSA-N 257.378 1.195 0 30 CDAC COCCOCCNC[C@@H]1COc2ccccc2O1 1843057 IRDXKUVPWPVZMA-GFCCVEGCSA-N 267.325 1.079 0 30 CDAC in-man CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC 34291674 ZKLVICYBRXLQIO-SECBINFHSA-N 289.328 1.396 0 30 CDAC CC(C)NS(=O)(=O)c1cncc(Br)c1 44243362 YCPDIVOHLOSWFW-UHFFFAOYSA-N 279.159 1.531 0 30 CDAC CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 95347662 HTINMSUVZLMQEV-WDEREUQCSA-N 269.341 1.992 0 30 CDAC in-vitro CC(C)(C)OC(=O)N[C@@H]1CCc2nc(=N)[nH]cc21 2265385457 ZZDBKBPAPRDTNM-SECBINFHSA-N 250.302 1.401 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@]2(CNC[C@H]2C(=O)O)C1 757184547 LLJFKPUSZRMYQR-HZMBPMFUSA-N 284.356 1.308 0 30 CDAC O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cccs1 310933 QFQGWRWEAGNSDM-QCMRWSPLSA-N 277.345 1.887 0 30 CDAC O=c1ccc(Oc2ccccc2Cl)nn1CCO 33858047 OTJVTRMAAPTYBK-UHFFFAOYSA-N 266.684 1.681 0 30 CDAC CN1C[C@@H]2CC[C@H](C1)N2CCOC(=O)c1ccc(N)cc1 19368418 SYVNKOFCGRDUIF-GASCZTMLSA-N 289.379 1.204 0 30 CDAC C[C@]12C=C3OC(=O)C(CO)=C3C[C@@H]1[C@H](CO)[C@@H]1C[C@H]12 257555091 ULWLTEZXDAFDPV-IHWYNZOXSA-N 262.305 1.000 0 30 CDAC biogenic O=C(OCc1ccccc1)N1CC([S@](=O)O)C1 675061472 YGHGHFNBORCCSU-UHFFFAOYSA-N 255.295 1.229 0 30 CDAC COc1ccc(/C=C2/N=C3S[C@@H](C)C(=O)N3C2=O)cc1 4697544 PFMCCQCKLZNAEI-LBTPYSACSA-N 288.328 1.896 0 30 CDAC CCOC(=O)NS(=O)(=O)c1ccc(C(C)=O)cc1 5856260 DDNCKBTWKYSFTE-UHFFFAOYSA-N 271.294 1.324 0 30 CDAC CN(C)C=NNC(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 13138494 QAJPPKBSMPMNAD-HNNXBMFYSA-N 283.331 1.764 0 30 CDAC CCOC(=O)[C@@](O)(NC(=O)c1ccccc1)C(F)(F)F 3138017 DXINQABFAJIZLC-NSHDSACASA-N 291.225 1.230 0 30 CDAC CC(C)(C)OC(=O)N1CCn2ncc(CN)c2C1 91304245 RKOUWNPPKIJNRI-UHFFFAOYSA-N 252.318 1.093 0 30 CDAC CNC(=S)N1CCN(CC=Cc2ccccc2)CC1 2265239482 KNWFGNXJHDINJW-UHFFFAOYSA-N 275.421 1.822 0 30 CDAC Cn1ncnc1[C@]12CCN(C(=O)OC(C)(C)C)C[C@H]1O2 669371584 ILBGWKNNJIGQHY-RNCFNFMXSA-N 280.328 1.050 0 30 CDAC CSC[C@@H](O)Cn1ncc2ccccc2c1=O 69811 RDTDQMJQIXERSQ-JTQLQIEISA-N 250.323 1.120 0 30 CDAC O=C(O)c1ccccc1C(=O)NC[C@@H](O)c1ccccc1 42675 XQMGZUDXRUQXII-CQSZACIVSA-N 285.299 1.848 0 30 CDAC O=C(O)c1cc(F)c(N2CCCNCC2)c(F)c1 63005057 UXEFJZMEAKQWAA-UHFFFAOYSA-N 256.252 1.463 0 30 CDAC COCOc1cc(Br)ccc1C(=N)N 307932137 IEZSXVLNFDWQDU-UHFFFAOYSA-N 259.103 1.716 0 30 CDAC O=C(O)CN1CCCC[C@@H](OCc2ccccc2)C1=O 399517983 PRIYVZNJLLJPJX-CYBMUJFWSA-N 277.320 1.669 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](O)C(C)(C)[C@H]1C(=O)O 34436860 KHLBNVGMWMAGJM-HTQZYQBOSA-N 259.302 1.077 0 30 CDAC O=S1(=O)CCN(Cc2ccc3c(c2)OCCCO3)CC1 59607559 MCRWLTPWWNKPBB-UHFFFAOYSA-N 297.376 1.078 0 30 CDAC C[C@](N)(C(N)=O)c1ccc(OCc2ccccc2)cc1 37514941 ZANZONWMNRAGJD-MRXNPFEDSA-N 270.332 1.925 0 30 CDAC COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 71609794 NZGOSPJWFBSVFT-RKDXNWHRSA-N 259.302 1.184 0 30 CDAC O=C(Cc1ccccc1)N[C@@H](C(=O)O)c1ccc(O)cc1 33604939 VYRLGZVBBQVMRK-OAHLLOKOSA-N 285.299 1.877 0 30 CDAC COc1ccc(CN2CC(=O)CCC2=O)c(OC)c1 642881798 CZPLFJKXEJYQSE-UHFFFAOYSA-N 263.293 1.395 0 30 CDAC N[C@H]1CCC2(C[C@H]1OCc1ccccc1)OCCO2 37981083 BJBTZUJRKVTZDI-UONOGXRCSA-N 263.337 1.826 0 30 CDAC CC(C)(C)OC(=O)N1CCC(C(=O)C(=O)O)CC1 149304993 ARQJBRHHZFTDLY-UHFFFAOYSA-N 257.286 1.287 0 30 CDAC C[C@@H]1CNCC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 503822128 WEHHGDMMOQMIKQ-OSAQELSMSA-N 275.352 1.567 0 30 CDAC Cn1sc(=O)c2cc(S(=O)(=O)NC3CC3)ccc21 166863 QFTYONXEHAAWFH-UHFFFAOYSA-N 284.362 1.041 0 30 CDAC O[C@H]1COC[C@@H]1Oc1ccc(Br)cc1 117383615 DLWPAASSYWIWAW-UWVGGRQHSA-N 259.099 1.588 0 30 CDAC O=C(O)C1(NS(=O)(=O)Cc2ccccc2)CCCC1 37367316 ZURYKMUWEOQRHM-UHFFFAOYSA-N 283.349 1.503 0 30 CDAC CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)[C@H](C)O 256009189 WNDKUMUAOQFAGL-LMRQPLJMSA-N 297.395 1.092 0 30 CDAC CC1=NCCN1CCNC(=O)Nc1ccc(F)cc1 100228455 WCUVDYOYTOLHPU-UHFFFAOYSA-N 264.304 1.681 0 30 CDAC CC(C)(C)OC(=O)N1CCc2nc(O)cc(C(=O)O)c2C1 725260028 LTYHIRYZPFCUHY-UHFFFAOYSA-N 294.307 1.779 0 30 CDAC COC(=O)[C@@](O)(CC(=O)c1ccccc1)C(F)(F)F 5660377 JAPSHNKZJDVTJI-NSHDSACASA-N 276.210 1.726 0 30 CDAC CC(C)OCCCNS(=O)(=O)c1ccc(O)c(N)c1 33611131 TVJSIHWAQKKXKD-UHFFFAOYSA-N 288.369 1.068 0 30 CDAC C[C@H](S[C@@H]1CC(=O)N(c2ccccc2)C1=O)C(=O)O 102729 ARXUAWFYWSOKCR-WCBMZHEXSA-N 279.317 1.525 0 30 CDAC CN(C)C=C(C(=O)c1ccccc1Cl)S(C)(=O)=O 6182640 PENSHNKBPRJYRM-UHFFFAOYSA-N 287.768 1.970 0 30 CDAC CCN1N=NC2=C(CO)N(C(=O)OC(C)(C)C)CC[C@@H]21 2265347490 DOMNLVYAKCGVKB-VIFPVBQESA-N 282.344 1.902 0 30 CDAC CCOC(=O)C(Nc1ccccc1C(=O)O)C(=O)OCC 299805211 CTZJRDVGDXYHMO-UHFFFAOYSA-N 295.291 1.292 0 30 CDAC CCOC(=O)[C@H](Cc1ccccc1O)OC(C)=O 936069161 VVQVEFPDYMABLQ-LBPRGKRZSA-N 252.266 1.430 0 30 CDAC O=C(CC(=O)Nc1nccs1)Nc1nccs1 52647 AZFZJJXSLKEWEW-UHFFFAOYSA-N 268.323 1.567 0 30 CDAC COc1nc(Nc2ccc(F)cc2)nc(OC)n1 67023 KABZWNBPHYMYKB-UHFFFAOYSA-N 250.233 1.772 0 30 CDAC CS(=O)(=O)c1sc(C(N)=O)c2c1C=CCC2 4351252 MYGTZLNIDAKAQO-UHFFFAOYSA-N 257.336 1.210 0 30 CDAC Cc1ccc(CNC(=O)[C@H](CCO)C2(C)OCCO2)cc1 33900445 OYFSXHIBKCTARJ-AWEZNQCLSA-N 293.363 1.373 0 30 CDAC Clc1nc(N2CCOCC2)cnc1Br 95942496 QSSIJDROYUXWPZ-UHFFFAOYSA-N 278.537 1.729 0 30 CDAC in-vitro COc1ccc(/C=C2/N=C(SC)NC2=O)cc1OC 13125208 XGVKWXYHPAGRPN-RMKNXTFCSA-N 278.333 1.894 0 30 CDAC O=S(=O)(O)c1ccc2ccccc2c1S(=O)(=O)O 33506023 YZMHQCWXYHARLS-UHFFFAOYSA-N 288.302 1.333 0 30 CDAC CC[C@H](N)C(=O)c1ccc(OCC(=O)OC)cc1 39135051 TYUGZCNRFBOUAL-NSHDSACASA-N 251.282 1.158 0 30 CDAC O=C(O)[C@@H]1C[C@H]1C(=O)N1CCOC12CCCCC2 41083 HXCLLYRUIXUTKJ-NXEZZACHSA-N 253.298 1.226 0 30 CDAC COC(=O)[C@H](N)C[C@H]1CCCCN1C(=O)OC(C)(C)C 219072655 UARZMJAITSDITP-GHMZBOCLSA-N 286.372 1.666 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@H](S(C)(=O)=O)C1 217028093 QVCHFSNORRFEHJ-SECBINFHSA-N 263.359 1.431 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cccc2c1COC(=O)N2 2265362209 HDCQNDDWYSKRNF-UHFFFAOYSA-N 293.128 1.002 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 575555925 DONLAKDVNUXGSC-WHOHXGKFSA-N 252.358 1.851 0 30 CDAC O=C(O)c1nc(Br)c2c(F)cccn12 214615013 GHGYIIVIBIJVEN-UHFFFAOYSA-N 259.034 1.934 0 30 CDAC N[C@@H](CC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O 60219766 CQLSOTAGCGJASP-QMMMGPOBSA-N 261.199 1.690 0 30 CDAC O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 71793133 QFQGWRWEAGNSDM-BSJXLVFVSA-N 277.345 1.887 0 30 CDAC CCc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 321271720 BELHBMAMKSRYBL-UHFFFAOYSA-N 250.147 1.503 0 30 CDAC CCOc1cc(N2CCN3CCC[C@H]3C2)ccc1N 238852554 GMWKJWUTBRPPKF-ZDUSSCGKSA-N 261.369 1.952 0 30 CDAC O=C(OCc1ccccc1)N1CC2CC1(C(=O)O)C2 253180256 CYOIJTWIXUOAFM-UHFFFAOYSA-N 261.277 1.872 0 30 CDAC Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1 5394468 WPBMVZDEHOCOKT-QWRGUYRKSA-N 260.293 1.996 0 30 CDAC Cc1onc(C(=O)N(C)C)c1-c1cc[nH]c(=S)n1 122390 WPDHVTQJAGSGLN-UHFFFAOYSA-N 264.310 1.804 0 30 CDAC CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCNCC1 15042137 AZZQVSDOZJSXDW-LBPRGKRZSA-N 299.415 1.358 0 30 CDAC C[C@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O 19394027 ISZMSTLXGGJJCR-SSDLBLMSSA-N 292.118 1.557 0 30 CDAC COC(=O)[C@H](O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 34319700 NCALQERIBRYGOK-VXGBXAGGSA-N 295.335 1.786 0 30 CDAC CC(=O)C(Sc1nnc(C(F)(F)F)[nH]1)C(C)=O 100374450 NMDPKPLTDUXSIU-UHFFFAOYSA-N 267.232 1.462 0 30 CDAC CCN(CC)CCOc1ccc(CN)cc1OC 11889913 FOWDLOOZXVUBGB-UHFFFAOYSA-N 252.358 1.875 0 30 CDAC CCN(CC)CCn1c(=O)oc2ccccc2c1=O 1607 GRPWANKDBCDDEV-UHFFFAOYSA-N 262.309 1.297 0 30 CDAC in-man CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](CN)CO2)C1 110914975 HIIRWGRMPFSSLM-GXFFZTMASA-N 256.346 1.361 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](CO)CC1CCOCC1 114942708 QKROPQUBOADSEC-LLVKDONJSA-N 259.346 1.689 0 30 CDAC CC(C)(C)OC(=O)[C@@H]1NCCC[C@H]1NC(=O)C(F)(F)F 397363082 BXWWAIRZUFTDOE-HTQZYQBOSA-N 296.289 1.127 0 30 CDAC COC(=O)c1sccc1-n1nnc(C(C)=O)c1C 82819 MFOXFIJCIOVRLK-UHFFFAOYSA-N 265.294 1.626 0 30 CDAC Nc1cc2c(cc1N)[C@H]1C[C@@H]2CN(C(=O)C(F)(F)F)C1 38213517 LWZYCQINJXEWRC-KNVOCYPGSA-N 285.269 1.826 0 30 CDAC in-vitro O=C1Nc2ccc(F)cc2[C@]1(O)Cc1ccncc1 81495 FLCKSVOTUHTQRE-CQSZACIVSA-N 258.252 1.603 0 30 CDAC [O-][n+]1ccccc1-c1cccc(-c2cccc[n+]2[O-])n1 35654025 CUVNKBIVWLZHKW-UHFFFAOYSA-N 265.272 1.682 0 30 CDAC CCOC(=O)CCCCCC[C@H](N)C(=O)OCC 34065062 YHIMFWJZBVHIPZ-NSHDSACASA-N 259.346 1.781 0 30 CDAC O=C(O)c1cccc(NS(=O)(=O)C(F)(F)F)c1 37462898 HVZZUSWXCOBYON-UHFFFAOYSA-N 269.200 1.646 0 30 CDAC NCc1cc(F)cc(I)c1 44249071 LBMYMISEQXDLFV-UHFFFAOYSA-N 251.042 1.889 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCN(c2cccc(CN)n2)C1 675050188 JDQUEUKCSBQZMC-LBPRGKRZSA-N 292.383 1.644 0 30 CDAC O=C(O)C1(NS(=O)(=O)c2ccccc2F)CCCC1 37367314 UGWOXQSFMFHZQT-UHFFFAOYSA-N 287.312 1.501 0 30 CDAC CC(C)(C)OC(=O)NC1CC(N2CCOCC2)C1 91353177 FULDASUWBJXEIP-UHFFFAOYSA-N 256.346 1.374 0 30 CDAC CC(C)(C)OC(=O)N[C@]1(C(=O)O)COc2ccccc2C1 393270123 YTJPMLGYZLYTAP-HNNXBMFYSA-N 293.319 1.970 0 30 CDAC CC(C)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 247983405 HURMVDAJJJYCJI-HOTGVXAUSA-N 262.397 1.867 0 30 CDAC CCN(CC)CCn1c(-c2ccccc2)noc1=N 1560 MGSPDRWOUCPKNZ-UHFFFAOYSA-N 260.341 1.964 0 30 CDAC investigational COC(=O)c1c(C)[nH]c(C(=O)CSCCC(=O)O)c1C 3196245 YLOXWESKAALGJA-UHFFFAOYSA-N 299.348 1.809 0 30 CDAC COC(=O)CCCCCNC(=O)c1ccc(O)cc1 35161037 OWGYATFHKZIZAV-UHFFFAOYSA-N 265.309 1.855 0 30 CDAC FC(F)(F)[C@]1(c2nc(-c3ccncc3)no2)CCNC1 111240731 HHBHCPRLXOKQFR-LLVKDONJSA-N 284.241 1.925 0 30 CDAC COCc1nc([C@@H]2COCCN2C(=O)OC(C)(C)C)no1 95348279 MBMVISZTBHXGJI-VIFPVBQESA-N 299.327 1.524 0 30 CDAC in-vitro COc1ccc(CNC(=O)c2cnccn2)c(OC)c1 1367573 IDBCHBBCGJRHSR-UHFFFAOYSA-N 273.292 1.424 0 30 CDAC COC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 669371649 NRKVACIZPOYCQM-SWLSCSKDSA-N 293.319 1.322 0 30 CDAC Cn1nccc1NC(=O)NC(=O)c1c(F)cccc1F 116378 WNAIHYZAEFJQOZ-UHFFFAOYSA-N 280.234 1.660 0 30 CDAC COc1ccc(-n2[nH]c(C(F)(F)F)nc2=N)cn1 953042327 WLZMVXIXHZHMFI-UHFFFAOYSA-N 259.191 1.102 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](C2CC2)C1 144227073 XTVNSJSQUVHEML-NXEZZACHSA-N 255.314 1.964 0 30 CDAC Nc1cc(=O)[nH]c(SCc2cccc(F)c2F)n1 35045232 OIJAQCUSQDDCOY-UHFFFAOYSA-N 269.276 1.923 0 30 CDAC CC[C@H](Sc1nc(CC(=O)O)cs1)C(N)=O 70598192 ZFMRYSRYVCPIOU-LURJTMIESA-N 260.340 1.126 0 30 CDAC COC(=O)c1ccc(CN2CCC(CN)CC2)cc1 44511620 MTQQEYWFKIMDNF-UHFFFAOYSA-N 262.353 1.644 0 30 CDAC C[C@@]12C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CC[C@@H]2O1 141976715 CQJNEJKGCVYECU-YXMPFFBPSA-N 257.289 1.744 0 30 CDAC Cc1onc(-c2ccccc2)c1C(=O)NCCN(C)C 155132 WVMBRMPZDDGYEI-UHFFFAOYSA-N 273.336 1.941 0 30 CDAC COc1cc(C(=O)C(=O)O)c(OC)cc1Br 83256289 XRAFCFNYOMKZGP-UHFFFAOYSA-N 289.081 1.734 0 30 CDAC O=C(O)C1CN(C2CCN(Cc3ccccc3)CC2)C1 39952122 XUOYXCVNFLGZOV-UHFFFAOYSA-N 274.364 1.667 0 30 CDAC CCOC(=O)C[C@@H]1C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 2265385463 XCNCDUWMTDIUOL-IUCAKERBSA-N 287.312 1.402 0 30 CDAC O=C(Cc1cc2ccccc2oc1=O)N1CCOCC1 2017406 TWKXOZOQEDDSAN-UHFFFAOYSA-N 273.288 1.194 0 30 CDAC O=C(Nc1nn[nH]n1)c1cc(Cl)ccc1Cl 6862883 XZCOIRRGZFFROY-UHFFFAOYSA-N 258.068 1.759 0 30 CDAC O=C(O)c1ncn(-c2cccc(C(F)(F)F)c2)n1 91355966 TXLXIOKBTUWPMW-UHFFFAOYSA-N 257.171 1.984 0 30 CDAC in-vitro CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)O)C1 104830539 BEBCEUHYFOZHBR-PRHODGIISA-N 259.302 1.486 0 30 CDAC CCOP(=O)(CC(=O)C[C@H](O)C(C)=O)OCC 96341839 HSDQBKZUQHXQHT-JTQLQIEISA-N 266.230 1.162 0 30 CDAC CC(C)(C)OC(=O)NC1CC(n2cc(C(=O)O)nn2)C1 2265347433 SHNPSNVMLMQSNR-UHFFFAOYSA-N 282.300 1.205 0 30 CDAC CCOC(=O)[C@H](CNC(=O)c1ccccc1)C(C)=O 22002258 CJPBHMDXYSWKLM-GFCCVEGCSA-N 263.293 1.185 0 30 CDAC CCOC1=NN(c2ccccc2)C(=O)C1=CN(C)C 8659503 IIBCQXTUIUEXHN-UHFFFAOYSA-N 259.309 1.829 0 30 CDAC CCOC(=O)[C@H]1CC[C@H](N)CN1C(=O)OC(C)(C)C 107271398 CVMRVIPMDLABQQ-VHSXEESVSA-N 272.345 1.276 0 30 CDAC NC(=O)NC(=S)NC(=O)c1ccccc1Cl 66968 JYFWVXKWRWMQPG-UHFFFAOYSA-N 257.702 1.023 0 30 CDAC CC(=O)OC[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 38295786 HMFUPJIDWUECDZ-LBPRGKRZSA-N 295.291 1.271 0 30 CDAC C[C@@H](N)CCN1CCN(c2ccc(F)cc2)CC1 37401919 ZBVOLUTWLMZUGY-GFCCVEGCSA-N 251.349 1.685 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1N1CCC(N)CC1 888084703 DMCRIWJAYVYLLO-STQMWFEESA-N 283.416 1.855 0 30 CDAC C[C@@H](Oc1nc(N)ncc1Br)C1CC1 718998202 APGIZERRIKZOHX-RXMQYKEDSA-N 258.119 1.999 0 30 CDAC Cc1ncc(S(=O)(=O)Cc2cccs2)c(N)n1 4347515 RLVOOHGOCLENJE-UHFFFAOYSA-N 269.351 1.403 0 30 CDAC OC[C@@H]1C[C@@H](n2ccc3c(Cl)ncnc32)C[C@@H]1O 114877290 NWIQFXRZYYAXPH-XKSSXDPKSA-N 267.716 1.389 0 30 CDAC O=C1O[C@]2(O)[C@H]3[C@@H](C(=O)N2c2ccccc21)[C@H]1C=C[C@H]3C1 138696840 MPIWVHGDHYEIMI-QFJZFTFUSA-N 283.283 1.288 0 30 CDAC CC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 105900 ZMFSTXZMRHQSLQ-UHFFFAOYSA-N 270.214 1.948 0 30 CDAC CC(=O)OC[C@H](COc1ccccc1C)OC(C)=O 6071910 CVMSKRHCTWCITE-CYBMUJFWSA-N 266.293 1.869 0 30 CDAC CN1CCN(c2ccc(Br)cc2N)CC1=O 82774489 LNHSDCPLEAEBLN-UHFFFAOYSA-N 284.157 1.310 0 30 CDAC O=S(=O)(NCCc1ccccn1)C(F)(F)F 145790062 BFIHDMGFOHNHCQ-UHFFFAOYSA-N 254.233 1.063 0 30 CDAC CCOC(=O)c1nn(-c2ccccc2F)/c(=N/C#N)s1 4290506 DWPAJFPNZHJEJV-QINSGFPZSA-N 292.295 1.631 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)CN[C@@H]1COC[C@@H]12 306949977 XMEYYWBJPDDSLH-NWDGAFQWSA-N 282.384 1.622 0 30 CDAC COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)o1 114917 SLDLJKDOLWFJNZ-UHFFFAOYSA-N 285.277 1.138 0 30 CDAC COc1ccccc1N1CC(C)(C)C(=O)NC1=S 93470 YXPQRYJTBHGWGB-UHFFFAOYSA-N 264.350 1.943 0 30 CDAC O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 488124 MPBLVPMGVIUHFH-WSMBLCCSSA-N 299.326 1.096 0 30 CDAC CCOC(=O)c1c[nH]c2cc(-c3ccco3)nn2c1=O 100219712 IWTJHBVSBVKUHM-UHFFFAOYSA-N 273.248 1.459 0 30 CDAC C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)O)O1 309836993 UVZFNQFMVKGKKE-BDAKNGLRSA-N 259.302 1.486 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CN)C2)C1 238127573 SKJDWIYFGRYNMX-GWCFXTLKSA-N 256.346 1.361 0 30 CDAC COc1cccc2c1c(NC(=O)CCC(=O)O)nn2C 147658 RGIVNJFZNWFQLD-UHFFFAOYSA-N 277.280 1.385 0 30 CDAC Clc1ccc(-n2nnc(C3CCNCC3)n2)cc1 258581515 LGAXYSHEOZMOJV-UHFFFAOYSA-N 263.732 1.783 0 30 CDAC O=S(=O)(O)c1ccc2cccc(S(=O)(=O)O)c2c1 2577045 HYFMZOAPNQAXHU-UHFFFAOYSA-N 288.302 1.333 0 30 CDAC in-vitro C[C@H](N)c1cccc(S(=O)(=O)C(F)(F)F)c1 114691317 XMXLRIGZCMVDGP-LURJTMIESA-N 253.245 2.000 0 30 CDAC CS(=O)(=O)[C@H]1Cc2cc(Br)ccc2[C@H]1N 2265384441 BXWABQFMXWSNIX-VHSXEESVSA-N 290.182 1.418 0 30 CDAC CC(C)n1[nH]ccc1=NC(=O)OCC(F)(F)F 252498034 JMLOFCSJJLMECU-UHFFFAOYSA-N 251.208 1.997 0 30 CDAC CC(C)(CC(N)=O)NC(=O)OCc1ccccc1 72191311 DBSZIJXTFJXBFU-UHFFFAOYSA-N 250.298 1.567 0 30 CDAC in-vitro CCOC(=O)CC1CCN(CC(=O)OCC)CC1 120062767 DDJCQMCRVWSTGA-UHFFFAOYSA-N 257.330 1.215 0 30 CDAC CCOC(=O)[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 91303157 RLBZVNJGAHTMMY-SDDRHHMPSA-N 299.367 1.964 0 30 CDAC CC(C)(C)OC(=O)N1CC(n2nccc2C(=O)O)C1 258717203 XQTMNGUMYZETGT-UHFFFAOYSA-N 267.285 1.373 0 30 CDAC O=C(O)c1cc(C(F)(F)F)cnc1N1CCOCC1 725344713 UTGDLKWVWBLKHM-UHFFFAOYSA-N 276.214 1.635 0 30 CDAC Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)O)CC2 75107982 JIMLTWCFBZCLRR-LURJTMIESA-N 260.215 1.993 0 30 CDAC in-vitro CCOC(=O)[C@H]1C(=O)C2(CC2)N1C(=O)OC(C)(C)C 2265384444 CJNNZSGRSNTQRH-MRVPVSSYSA-N 269.297 1.271 0 30 CDAC CC(C)N1CCO[C@@H](Cn2cc(Br)cn2)C1 80747778 FXCVWEOHVAKVCG-LLVKDONJSA-N 288.189 1.755 0 30 CDAC in-vitro COCCOCCOCCOc1ccc(O)cc1 126169091 BUBGTEFEPUJDDS-UHFFFAOYSA-N 256.298 1.451 0 30 CDAC O=C(O)c1ccc2[nH]cc(I)c2n1 44712897 JTMCPLKNUUDRGS-UHFFFAOYSA-N 288.044 1.866 0 30 CDAC CC(=O)O[C@@]1(C)COc2ccccc2O[C@@H]1C(=O)O 39123596 REEJLJYZXAOKNI-YPMHNXCESA-N 266.249 1.233 0 30 CDAC CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1cncn1C 90168680 LXDLKLWLACWYJW-SECBINFHSA-N 269.301 1.413 0 30 CDAC NNc1cc(F)ccc1I 238580129 LPRQJJFSEWZQMB-UHFFFAOYSA-N 252.030 1.716 0 30 CDAC O=C(O)c1cc(S(=O)(=O)O)c(Cl)cc1Cl 3151938 ZNAQCEMTUXNPPR-UHFFFAOYSA-N 271.077 1.938 0 30 CDAC CC(C)(C)OC(=O)[C@H](CO)NC(=O)OCc1ccccc1 2585959 KEGGPKIRWQIHQT-LBPRGKRZSA-N 295.335 1.615 0 30 CDAC CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 4899807 GJFKAKDMDPBXIS-QWRGUYRKSA-N 270.373 1.302 0 30 CDAC CC(C)(C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O 575319675 NTANNQQRKPIVQJ-UHFFFAOYSA-N 268.313 1.097 0 30 CDAC COC(=O)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 584883075 PNBPWQZBKMMJDL-UHFFFAOYSA-N 262.217 1.180 0 30 CDAC S=C(NCCc1ccccc1)N1CCOCC1 6579241 ONOMMUGEFFQYSU-UHFFFAOYSA-N 250.367 1.436 0 30 CDAC COC(CNC(=O)c1cc(Br)cn1C)OC 40421754 INPPLPDMGVWXBA-UHFFFAOYSA-N 291.145 1.136 0 30 CDAC O=C(O)CCC1=NS(=O)(=O)c2ccc(Cl)cc2N1 34069238 BZCZSFSMKFOMOK-UHFFFAOYSA-N 288.712 1.718 0 30 CDAC Cc1cc(C)n(-c2ccc(N3C[C@@H](C)O[C@H](C)C3)nn2)n1 91414 OFLJFYONMCSNGT-CHWSQXEVSA-N 287.367 1.893 0 30 CDAC C[C@@H](SC(=O)CNC(=O)c1ccccc1)C(=O)O 6661824 VGTLUSISELTJKM-MRVPVSSYSA-N 267.306 1.149 0 30 CDAC COc1ccc(CCN)c(Br)c1OC 34128423 UHMSZPHIAIRIPP-UHFFFAOYSA-N 260.131 1.968 0 30 CDAC COC(=O)c1cn(Cc2ccncc2)cc(F)c1=O 36048029 MBCUUMNVOYFOKW-UHFFFAOYSA-N 262.240 1.217 0 30 CDAC CCNS(=O)(=O)c1cc(Cl)c(N)cc1Cl 5853294 YFXVCZINZDQVCR-UHFFFAOYSA-N 269.153 1.874 0 30 CDAC Cn1c(Cn2cc(C(F)(F)F)ccc2=O)n[nH]c1=S 127015 YWJNBNLQTGUUFI-UHFFFAOYSA-N 290.270 1.706 0 30 CDAC COC(=O)CNC(=O)c1cccnc1Oc1ccccc1 131930 DPWSKYHGJSLTOX-UHFFFAOYSA-N 286.287 1.777 0 30 CDAC COC(=O)/C=C/CN1CCN(C(=O)OC(C)(C)C)CC1 95642436 BKCCJOVZVHGGCB-AATRIKPKSA-N 284.356 1.268 0 30 CDAC CCOC(=O)N1CCC(NC(=O)c2snnc2C)CC1 157721 UAYYNMIRRQBINZ-UHFFFAOYSA-N 298.368 1.197 0 30 CDAC CCOC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]2CN1C(=O)OC(C)(C)C 204675233 LMRREUVKWATQOD-NHCYSSNCSA-N 297.351 1.764 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2CN 675080942 XYYZXQOMVJWNJF-MFKMUULPSA-N 256.346 1.361 0 30 CDAC COC(=O)CC[C@@H]1CC[C@@H](CCC(=O)OC)C1=O 88481 MARBNQWAIKUQLO-UWVGGRQHSA-N 256.298 1.488 0 30 CDAC O[C@@H](CBr)c1cc(Br)no1 34109516 WYIIEBIFVAUGEW-VKHMYHEASA-N 270.908 1.865 0 30 CDAC CN(C)C=CC(=O)c1ccc(N2CCN(C)CC2)cc1 98025152 QIFZNYMETCIZKN-UHFFFAOYSA-N 273.380 1.696 0 30 CDAC CCOP(=O)(OCC)[C@@H](OC(C)=O)C(=O)O 200665897 QAFXGVGAIBHDPN-MRVPVSSYSA-N 254.175 1.226 0 30 CDAC O=C(N[C@@H]1CCOC[C@H]1O)OCc1ccccc1 219003359 NNPZVJYFQGRHEV-VXGBXAGGSA-N 251.282 1.063 0 30 CDAC CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCSCC1)OC2=O 111374 ZUKPXFDBCGFMEH-KGLIPLIRSA-N 283.393 1.684 0 30 CDAC CCN1CCc2nc(-c3ccc(F)cc3)[nH]c(=O)c2C1 73667177 RBAXDCFEQYGUTE-UHFFFAOYSA-N 273.311 1.954 0 30 CDAC O=C1N[C@@H]2CCCC[C@@H]2[C@@H]2CN(c3ccccc3)N[C@@H]12 605704286 XHIYKIMEWHXTLL-LXTVHRRPSA-N 271.364 1.685 0 30 CDAC CC(=O)OCC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1 14774631 VDJDMWLIQCSQON-UHFFFAOYSA-N 294.259 1.283 0 30 CDAC Cn1ccsc1=NS(=O)(=O)c1ccc(F)cc1 254490721 DKQHYYZIQNLRAI-UHFFFAOYSA-N 272.326 1.515 0 30 CDAC Cn1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)n1 394825980 KLDGSLZMQZNDLR-UONOGXRCSA-N 285.347 1.720 0 30 CDAC N=c1nc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nc(NN)[nH]1 2265277153 KEGVOBDLHVFDRZ-LZFPZTGBSA-N 260.345 1.038 0 30 CDAC CC[C@@]1(C)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O 3632065 WCHUHMTYPVCQKV-ZDUSSCGKSA-N 296.348 1.014 0 30 CDAC CC(C)(C)S(=O)(=O)Cc1cccc(C(=O)O)n1 232706231 CXWYWEZJIJVZKG-UHFFFAOYSA-N 257.311 1.493 0 30 CDAC O=S1(=O)CCc2cc(Br)ccc2N1 146231026 LEUKENDFIWVZIB-UHFFFAOYSA-N 262.128 1.747 0 30 CDAC COC(=O)[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 147091038 UZUVKNIRHQXQAY-VIFPVBQESA-N 274.725 1.502 0 30 CDAC CSC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1 2265279452 HFLXYSRIPKXGOQ-UHFFFAOYSA-N 262.290 1.605 0 30 CDAC COc1ccc(OCC(=O)O)c(Br)c1 11803615 NVFMHHNEHRRQFG-UHFFFAOYSA-N 261.071 1.921 0 30 CDAC N[C@@H](CN1CCOCC1)C12CC3CC(CC(C3)C1)C2 23066759 VVMFFKSKIAIBCM-DQGBIZLVSA-N 264.413 1.862 0 30 CDAC CN1C(=O)C[C@H](CN)[C@H]1c1cnn(Cc2ccccc2)c1 309785826 MSFVYWGZPZZQID-CJNGLKHVSA-N 284.363 1.410 0 30 CDAC CN1CCN(C[C@H](N)Cc2c[nH]c3ccccc23)CC1 206287623 KVGWTDIHYZXFPK-CQSZACIVSA-N 272.396 1.285 0 30 CDAC OC[C@H](O)CCCCCCCCCC[C@@H](O)CO 33609406 SHSYIUNPNAKBKC-ZIAGYGMSSA-N 262.390 1.594 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCOC1)C(=O)O 69553855 YNYWZOUUORFIOY-DTWKUNHWSA-N 259.302 1.391 0 30 CDAC OC[C@@H](O)CCCCCCCCCC[C@@H](O)CO 33609404 SHSYIUNPNAKBKC-OKILXGFUSA-N 262.390 1.594 0 30 CDAC COC(=O)c1cn([C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nn1 2265385334 KBTNMBBOEBTEIP-KYZUINATSA-N 296.327 1.293 0 30 CDAC COC(=O)c1cnc(N2CCOCC2)nc1C(F)(F)F 82292 RKAGJOMCTACHQX-UHFFFAOYSA-N 291.229 1.119 0 30 CDAC C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CC(=O)O)O1 309836998 UVZFNQFMVKGKKE-IUCAKERBSA-N 259.302 1.486 0 30 CDAC COc1c(C=O)c(Br)cc2c1OCO2 139495097 ILCXTQNDBQERKT-UHFFFAOYSA-N 259.055 1.999 0 30 CDAC COc1c(F)cc(F)cc1B(O)OC(C)(C)C(C)(C)O 200318802 MHXGEZVLCYOASJ-UHFFFAOYSA-N 288.099 1.227 0 30 CDAC NC(=O)C1CCN(C[C@@H](O)CSc2ccccc2)CC1 119051 YSMQPPNUHYMINC-CYBMUJFWSA-N 294.420 1.337 0 30 CDAC CC(=O)N/C(=C\c1c[nH]c(-c2ccccc2)n1)C(=O)O 128235 QQPZVEUPOAJJQC-GHXNOFRVSA-N 271.276 1.638 0 30 CDAC CCOC(=O)CC(=O)Cc1cc(OC)ccc1OC 39315185 ZFTPEUIWAMALGS-UHFFFAOYSA-N 266.293 1.769 0 30 CDAC COC(=O)c1sccc1O[C@H](C)C(=O)C=CN(C)C 33773954 NRFXNSKVNCFKOF-SECBINFHSA-N 283.349 1.946 0 30 CDAC CC(=O)N1[C@H](c2cccnc2)SC[C@H]1C(=O)O 33605357 MJXZBJCKDZKESQ-UWVGGRQHSA-N 252.295 1.129 0 30 CDAC O=C(N[C@@H]1CC[C@@H](C(F)(F)F)NC1)C(F)(F)F 238854448 NSDVKSZMTZNBGK-UHNVWZDZSA-N 264.169 1.348 0 30 CDAC COC(=O)[C@H]1Cc2cccc(Br)c2O1 685951871 KAEODORRRIFSNQ-MRVPVSSYSA-N 257.083 1.926 0 30 CDAC COC(=O)[C@H](N)Cc1csc(Br)c1 259567935 IYPKONHHBJUJIU-ZCFIWIBFSA-N 264.144 1.553 0 30 CDAC OB1OCc2c(Nc3nc(Cl)ncc3Cl)cccc21 1504000185 HJNSHRMJCGIZBD-UHFFFAOYSA-N 295.922 1.745 0 30 CDAC Cc1cc(C(=O)N2C=CC(C(F)(F)F)=NCC2)nn1C 1025856 FUGIZJKMKURLAT-UHFFFAOYSA-N 286.257 1.701 0 30 CDAC Cc1c(C(=O)O)cnn1CCO[C@@H]1CCCCO1 88611610 AAXWPWINDWOHQI-LLVKDONJSA-N 254.286 1.433 0 30 CDAC in-vitro O=C1NCCC[C@@H]1c1nnc(S)n1Cc1ccccc1 66952 YRUUNGGUALOBJO-LLVKDONJSA-N 288.376 1.609 0 30 CDAC CCOC(=O)c1cnc(I)cn1 307430797 KKURWQGMCUXZRQ-UHFFFAOYSA-N 278.049 1.258 0 30 CDAC CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(N)=S 238143887 XZAOXPVPLDOTEY-LURJTMIESA-N 266.313 1.917 0 30 CDAC COCNC(=O)[C@H](C)NC(=O)OCc1ccccc1 196458792 FHOXXHGFKUKSEY-JTQLQIEISA-N 266.297 1.021 0 30 CDAC CCOC(=O)C(=O)c1cnc(C(F)(F)F)s1 397397245 DHQKPWPKTBYHFF-UHFFFAOYSA-N 253.201 1.908 0 30 CDAC C[C@H]1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1 11849281 MNZZDOSKBMCICP-NSHDSACASA-N 268.382 1.566 0 30 CDAC c1cc2c(cc1[C@H]1NN=C3C4CCN(CC4)[C@@H]31)OCO2 20421368 OQPDZSYJAMIZHS-CABCVRRESA-N 271.320 1.510 0 30 CDAC COc1cc(-c2nc(O)cc(=O)[nH]2)cc(OC)c1OC 110619018 QBJIRLHGFHCSQH-UHFFFAOYSA-N 278.264 1.168 0 30 CDAC O=C(O)CCCC(=O)Nc1ccc2c(c1)C(=O)OC2 146622 IUYLMTUPSPRKKK-UHFFFAOYSA-N 263.249 1.550 0 30 CDAC CCOC(=O)Cc1c(C(=O)OCC)c(C)cn1C 170753 YWLMDVDPKZKLNL-UHFFFAOYSA-N 253.298 1.616 0 30 CDAC Nc1n[nH]c(=O)c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12 8648847 VHFHOEDFLYPUMF-UHFFFAOYSA-N 288.694 1.514 0 30 CDAC O=C1C=C/C(=N/Nc2ccc(S(=O)(=O)O)cc2)C(O)=C1 135953387 RCQGIGSZSJQZDX-KAMYIIQDSA-N 294.288 1.282 0 30 CDAC O=C(O)c1nscc1I 200766964 JTLAVUZUYQYSAR-UHFFFAOYSA-N 255.036 1.446 0 30 CDAC O=C(O)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 22144281 XDGGKUYZNMOCTL-LLVKDONJSA-N 269.322 1.065 0 30 CDAC CC(C)(C)OC(=O)N1O[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 950757589 ZRRVUNJHPYMNEM-DJLDLDEBSA-N 257.286 1.791 0 30 CDAC N[C@H]1CCC2(C[C@@H]1OCc1ccccc1)OCCO2 37981084 BJBTZUJRKVTZDI-KBPBESRZSA-N 263.337 1.826 0 30 CDAC Nc1cnc(Cl)nc1-n1cc(Br)cn1 236367010 SGROPFZAWOYHLQ-UHFFFAOYSA-N 274.509 1.660 0 30 CDAC CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@H]12)[C@@H](C)O 5925360 WNDKUMUAOQFAGL-KLZCAUPSSA-N 297.395 1.092 0 30 CDAC COc1ccc(OC[C@@H](O)CNC(=O)C2CCC2)cc1 151558 DPWYKFPMXBRLNX-LBPRGKRZSA-N 279.336 1.351 0 30 CDAC CC(C)(C)OC(=O)NC1(C(=N)NO)CCOCC1 72266043 ZUEUGLQNJVLMKT-UHFFFAOYSA-N 259.306 1.016 0 30 CDAC CC(=O)Nc1nc(NC(C)=O)nc(-c2ccccc2C)n1 90382 XGTHPCMXYUGDAQ-UHFFFAOYSA-N 285.307 1.764 0 30 CDAC Cc1nn2cccnc2c1I 606294059 GQENFEOGGPTSOV-UHFFFAOYSA-N 259.050 1.642 0 30 CDAC COC(=O)[C@]1(c2ccc(Br)cc2)CCNC1 261225878 NBSUUYLAPIUZDI-GFCCVEGCSA-N 284.153 1.853 0 30 CDAC CC(C)(C)OC(=O)[C@@](N)(CC(=O)O)c1ccccc1F 83259299 ZWSFXOYWGHAFHA-CQSZACIVSA-N 283.299 1.796 0 30 CDAC COC(=O)[C@@H]1C[C@H]2c3ccccc3N[C@@H]2N1C(=O)OC 34612827 UNJSYLFJPUKBGL-ZMLRMANQSA-N 276.292 1.536 0 30 CDAC O=C1CC(n2cc(I)cn2)C1 117833697 XMYIMRKKYCIOHE-UHFFFAOYSA-N 262.050 1.392 0 30 CDAC NC[C@@H]1OCCc2sc(I)cc21 205005175 IKIPFLHWOFSBPH-LURJTMIESA-N 295.145 1.925 0 30 CDAC C[C@@H]1CNC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 616582321 MLTNMWYTXODODN-ZWNOBZJWSA-N 256.346 1.374 0 30 CDAC CC(C)(C)OC(=O)CN1CC[C@H](Br)C1=O 146932755 CCEDMIFCTNAVOT-ZETCQYMHSA-N 278.146 1.324 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCn2ncc(C(=O)O)c2C1 685947333 USNKTGNHTHJVML-MRVPVSSYSA-N 281.312 1.421 0 30 CDAC NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 35354342 UYUJMEYKLYCVBB-UHFFFAOYSA-N 270.339 1.230 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1C(=O)CC(=O)[C@@H]2CCC[C@H]21 217846358 CZPCMWRYIGSHBW-RKDXNWHRSA-N 253.298 1.892 0 30 CDAC COC(=O)C[S@@](=O)c1ccc(Br)cc1 40958305 OZUSHMCEQAEEJK-AWEZNQCLSA-N 277.139 1.730 0 30 CDAC Brc1nsc(N2CCOCC2)n1 113403282 BKSVIIGQFAVPDP-UHFFFAOYSA-N 250.121 1.137 0 30 CDAC CC(C)(C)OC(=O)N1CC(N2CC[C@H](C(=O)O)C2)C1 22014164 BRPUZBGXSLNYIG-VIFPVBQESA-N 270.329 1.012 0 30 CDAC CNC(=S)N(C)NC(=S)NCc1cccs1 3138283 AGDKWXGICMGSRH-UHFFFAOYSA-N 274.440 1.063 0 30 CDAC Cc1ncc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)[nH]1 44296509 RTVUUCRLFUZYNC-VIFPVBQESA-N 269.301 1.239 0 30 CDAC CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O 196674727 KEWZMVUJFORTAY-PWSUYJOCSA-N 281.308 1.225 0 30 CDAC CN1N=C(C(F)(F)F)C(=CNCc2cccnc2)C1=O 1389263 KRDGTALNVBOOQC-UHFFFAOYSA-N 284.241 1.445 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc2c(c1)NC(=O)OC2 2265362138 PKBBDMVMFXNZNH-UHFFFAOYSA-N 293.128 1.002 0 30 CDAC CN1CCN(c2ccc(C(F)(F)F)cc2CN)CC1 36926989 SYPIKCJHMHJEND-UHFFFAOYSA-N 273.302 1.916 0 30 CDAC in-vitro O=C(NC1CC1)[C@]1(Cc2ccccc2)CCCNC1 72233045 IAOUURQDCITKDW-INIZCTEOSA-N 258.365 1.878 0 30 CDAC CC(C)(C)OC(=O)N1C(=O)CC(=O)[C@H]2CCC[C@H]21 217846203 CZPCMWRYIGSHBW-DTWKUNHWSA-N 253.298 1.892 0 30 CDAC Fc1cccc(F)c1Cc1nnc2n1CCNC2 84947945 FNOFVDIROIVXNK-UHFFFAOYSA-N 250.252 1.250 0 30 CDAC CC(C)(CO)CN1CCCN(CC(C)(C)CO)C1=O 33606102 DIDLCHLFJFQPII-UHFFFAOYSA-N 272.389 1.151 0 30 CDAC C[C@H](S[C@H]1CC(=O)N(c2ccccc2)C1=O)C(=O)O 19765494 ARXUAWFYWSOKCR-WPRPVWTQSA-N 279.317 1.525 0 30 CDAC CN(C)NC1CCC(NC(=O)OC(C)(C)C)CC1 213690779 BPENULYOIIKBNH-UHFFFAOYSA-N 257.378 1.889 0 30 CDAC CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1c1ccccn1 953103650 XZKKMRSRPQUMHJ-NSHDSACASA-N 277.324 1.490 0 30 CDAC CN[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C1 238790266 DDYLYNJPKAJGEJ-UFBFGSQYSA-N 258.318 1.059 0 30 CDAC CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)O)CCO1 2265347435 SNSVCJLUROZPJG-DTWKUNHWSA-N 259.302 1.391 0 30 CDAC O[C@]1(C(F)(F)F)CC(c2ccc3c(c2)OCO3)=NN1 171520 DDEWDUHTODODBO-JTQLQIEISA-N 274.198 1.364 0 30 CDAC Cn1ccnc1SCC(=O)NC1Cc2ccccc2C1 171453 PIEOFNRTCASATD-UHFFFAOYSA-N 287.388 1.796 0 30 CDAC COC[C@@H](C)Oc1ccc(Cl)cc1S(N)(=O)=O 69902944 AXMRNRZXUSFMMW-SSDOTTSWSA-N 279.745 1.401 0 30 CDAC in-vitro C[C@@H]1CN(C)CCN1c1ccc(Br)cn1 227537763 BIJGAHNZQIKEIM-SECBINFHSA-N 270.174 1.984 0 30 CDAC O=C(O)c1cc(Br)cc2[nH]nc(O)c12 14983936 ZCDAIPVPQCEYSI-UHFFFAOYSA-N 257.043 1.729 0 30 CDAC CCN(CC)CCn1nnc2cncc([N+](=O)[O-])c21 1840978 XIKLXCHBZADKEE-UHFFFAOYSA-N 264.289 1.076 0 30 CDAC O=C1CC[C@@H](C(=O)OCCCCc2ccccc2)N1 6096152 LJTCEFYINQOTMA-ZDUSSCGKSA-N 261.321 1.831 0 30 CDAC Cn1cc(C(=O)O)c(=O)c2c3c(ccc21)OCOC3 34219425 DVNWZDISVTYKOF-UHFFFAOYSA-N 261.233 1.103 0 30 CDAC CCNCc1ccccc1B(O)OC(C)(C)C(C)(C)O 200333860 GSZHVJUWKULLER-UHFFFAOYSA-N 279.189 1.050 0 30 CDAC Cc1nc2ccc(NC(=O)C=CC(=O)O)cc2nc1C 2265270078 MKPQJDSOPDIYNL-UHFFFAOYSA-N 271.276 1.826 0 30 CDAC CCOP(=O)(OCC)[C@@H]1C2CCN(CC2)S1(=O)=O 642882396 VVTSFEJZIJYJHW-JTQLQIEISA-N 297.313 1.634 0 30 CDAC COC(=O)Cc1c(C(=O)O)[nH]c2ccc(OC)cc12 206192591 KXFNJICSYDKVAT-UHFFFAOYSA-N 263.249 1.590 0 30 CDAC C=C[C@@H](C(=O)OC)C(=O)N(C)c1ccc(SC)o1 39127334 YSGDJGVDAQQJIV-MRVPVSSYSA-N 269.322 1.940 0 30 CDAC CCOC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1 82634796 NUHARICFKKPAMY-UHFFFAOYSA-N 263.702 1.164 0 30 CDAC in-vitro CCOC(=O)CC1(N)CCN(Cc2ccccc2)CC1 259586029 KUJBCBKJSFOCDI-UHFFFAOYSA-N 276.380 1.933 0 30 CDAC CC(C)(C)OC(=O)[C@]1(C(=O)O)CCCC[C@@H]1CN 1081110492 VUXVGAZURQOEIT-NOZJJQNGSA-N 257.330 1.548 0 30 CDAC CC(=O)NC(=O)c1ccccc1I 134015 XCZNPMTYQLURGH-UHFFFAOYSA-N 289.072 1.568 0 30 CDAC COC(=O)c1cc(=O)n2c(-c3cccs3)nnc2s1 124333 IORVRFQZJJGCII-UHFFFAOYSA-N 293.329 1.666 0 30 CDAC Cc1cc(N2CC[C@H](N)C2=O)ccc1Br 49648445 DSTFDWMELKKNBB-JTQLQIEISA-N 269.142 1.822 0 30 CDAC in-vitro CCOC(=O)c1cc(C(=O)O)n2cccc(F)c12 953019253 NHLSKJOVYBAJFD-UHFFFAOYSA-N 251.213 1.953 0 30 CDAC CSCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 5115822 BLKZOCKYCALVQP-UHFFFAOYSA-N 258.324 1.673 0 30 CDAC COC[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 307563020 MCVXVAOZGZKJGE-STQMWFEESA-N 265.309 1.405 0 30 CDAC CC1(C)O[C@@H]2C(I)=C[C@H]3O[C@H]3[C@@H]2O1 201549407 CONVPYYRXUHYFD-WCTZXXKLSA-N 294.088 1.606 0 30 CDAC C[C@H]1CCC/C=C\[C@@H]2C[C@@H](O)C[C@H]2[C@H](O)/C=C\C(=O)O1 223695920 KQNZDYYTLMIZCT-JVPVNUEGSA-N 280.364 1.962 0 30 CDAC O=C1CC(=O)[C@@H](c2ccc(Br)cc2)N1 106983175 XGZMFIIDPGKWKW-SNVBAGLBSA-N 254.083 1.579 0 30 CDAC C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)O)O1 129355431 IWONQOADLJEBMT-HLTSFMKQSA-N 259.302 1.532 0 30 CDAC CC(C)(C)OC(=O)N1CC(N2CCC(N)CC2)C1 307707517 ZILWFIDVLUYVHJ-UHFFFAOYSA-N 255.362 1.029 0 30 CDAC COCCn1nc(Br)c(Br)n1 829949645 XDNZNHJBCMCUDA-UHFFFAOYSA-N 284.939 1.450 0 30 CDAC Cc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(C)n1 96330820 CFIZCTHHFFDVHE-UHFFFAOYSA-N 278.337 1.484 0 30 CDAC COC(=O)/C=C(/Nc1cc(OC)ccc1OC)C(=O)OC 100401930 CBXKFSAFMYXQMP-DHZHZOJOSA-N 295.291 1.346 0 30 CDAC CC(C)(C)C(=O)Cn1nnc(N2CCCCC2)n1 89250 PRGZJBBQTTVHLE-UHFFFAOYSA-N 251.334 1.279 0 30 CDAC CCn1nc(Br)c(Br)n1 223343591 HSRUCDVHLCXDBM-UHFFFAOYSA-N 254.913 1.823 0 30 CDAC in-vitro O=C(O)[C@H]1CCc2nnc(-c3ccc(O)cc3)n2C1 96300696 VUUVKVBTCMENDS-VIFPVBQESA-N 259.265 1.298 0 30 CDAC N=c1c(C(N)=O)c[nH]n1-c1cccc(C(F)(F)F)c1 725325395 KFYHNFKTUOCIET-UHFFFAOYSA-N 270.214 1.403 0 30 CDAC Nc1nc(Cc2ccc(Br)cc2)n[nH]1 6322159 CTSHSORRMJZRRP-UHFFFAOYSA-N 253.103 1.740 0 30 CDAC CCOC(=O)[C@@H](CNC(=O)c1ccccc1)C(C)=O 22002254 CJPBHMDXYSWKLM-LBPRGKRZSA-N 263.293 1.185 0 30 CDAC CC[C@@H](N)C(=O)c1ccc(OCC(=O)OC)cc1 39135052 TYUGZCNRFBOUAL-LLVKDONJSA-N 251.282 1.158 0 30 CDAC C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCC(=O)O 70637665 WTDJNKSAVVRASP-JTQLQIEISA-N 272.345 1.402 0 30 CDAC C[C@H](Oc1nc(N)ncc1Br)C1CC1 718998205 APGIZERRIKZOHX-YFKPBYRVSA-N 258.119 1.999 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(CN)C2 307647588 CYQXYSAXULWVNH-DDFAGTSDSA-N 256.346 1.238 0 30 CDAC Cc1cc(C(=O)N2CCCNCC2)c2ccccc2n1 19479498 IHZMTONBEAFVBO-UHFFFAOYSA-N 269.348 1.979 0 30 CDAC CCOC(=O)/C=C(\Br)C(=O)OCC 5395935 MNMKHOONIYTDRL-WAYWQWQTSA-N 251.076 1.391 0 30 CDAC CC(C)(C)OC(=O)NCC1(CO)CCS(=N)(=O)CC1 2265347442 ZTDAIPVJYPEDHC-UHFFFAOYSA-N 292.401 1.330 0 30 CDAC CC(C)(C)OC(=O)N1CCO[C@H]2C(CN)=CC[C@H]21 514269618 NTYIHSHJYHJGGG-MNOVXSKESA-N 254.330 1.280 0 30 CDAC COC(=O)Cn1c(=O)sc2cccc(Cl)c21 332382 ZCDHYAMAXOZQDI-UHFFFAOYSA-N 257.698 1.889 0 30 CDAC CS(=O)(=O)N1CCCCC[C@@H]1C1CCNCC1 68589839 QOPLSPCNCCZYOD-GFCCVEGCSA-N 260.403 1.190 0 30 CDAC Cc1cc(O)n(-c2ccc(S(=O)(=O)O)cc2Cl)n1 100386330 FESKPWAXWLIWQX-UHFFFAOYSA-N 288.712 1.786 0 30 CDAC CCOC(=O)C(=O)c1ncccc1Br 238292894 WQSIDMGVSWTJEX-UHFFFAOYSA-N 258.071 1.590 0 30 CDAC CS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 34259035 BAKURTCIMUEDPT-UHFFFAOYSA-N 279.111 1.551 0 30 CDAC Cc1ccc(N2C[S@](=O)C(=CN(C)C)C2=O)cc1 4642430 VCVXINGRDDJCKI-GOSISDBHSA-N 264.350 1.451 0 30 CDAC CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 19722630 RSDVXIAABWUOSJ-UHFFFAOYSA-N 274.343 1.963 0 30 CDAC CCOC(=O)CC(=O)c1cccc(C(=O)OC)c1 38665657 SSKMYNVYASJQOV-UHFFFAOYSA-N 250.250 1.609 0 30 CDAC CCCc1c(C(=O)OCC)[nH]c(C(=O)O)c1C(=O)O 45821289 WLESCSQIGASFSY-UHFFFAOYSA-N 269.253 1.540 0 30 CDAC CC(C)(CO)NC(=O)c1cccc(Br)n1 144196408 VGPNEFYQLQEZSQ-UHFFFAOYSA-N 273.130 1.345 0 30 CDAC NCCS(=O)(=O)c1cccc(Br)c1 55306574 DXXBJZKOKSIGII-UHFFFAOYSA-N 264.144 1.182 0 30 CDAC CCN(CC)CCNc1ccc(N)c(C(N)=O)c1 41079981 NVWLRSMBVHPIIU-UHFFFAOYSA-N 250.346 1.121 0 30 CDAC COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 34475419 XHYGPWYEBIJNLR-ZKKRXERASA-N 274.313 1.029 0 30 CDAC C[C@@H](c1ccc(Br)cc1)S(N)(=O)=O 50350096 HAZQIKILQBZNGG-LURJTMIESA-N 264.144 1.799 0 30 CDAC COC(=O)c1nc(-c2ccc(C)cc2)[nH]c(=O)c1O 2541700 HFIKCGNMVHHDRP-UHFFFAOYSA-N 260.249 1.238 0 30 CDAC O=C1CCc2c1c(=O)oc1c3c(cc(O)c21)O[C@H]1OC=C[C@@H]31 6090917 NRCXNPKDOMYPPJ-HYORBCNSSA-N 298.250 1.974 0 30 CDAC endogenous,in-man C[C@@H]1CNCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 685945711 QVOSKYFWKLAVIU-LLVKDONJSA-N 270.373 1.764 0 30 CDAC C[C@H](O)CNC[C@]1(C)C[C@@H](NC[C@H](C)O)CC(C)(C)C1 256532377 JTURHGQTASTBFY-RZLSGREXSA-N 286.460 1.512 0 30 CDAC C[C@@H]1Cc2cc(C3=NN[C@@](O)(C(F)(F)F)C3)ccc2O1 114750 FXUQHRFZFYKPLC-KRTXAFLBSA-N 286.253 1.958 0 30 CDAC CCOC(=O)[C@H]1CC[C@@H](N)CN1C(=O)OC(C)(C)C 107271402 CVMRVIPMDLABQQ-NXEZZACHSA-N 272.345 1.276 0 30 CDAC Cn1nc(OCC(=O)NC(C)(C)C)cc1C(F)(F)F 4300727 UCVHQCJDTMVYSF-UHFFFAOYSA-N 279.262 1.732 0 30 CDAC C[C@@H](O)[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 38192488 KFSXLIJSXOJBCB-QMTHXVAHSA-N 265.309 1.169 0 30 CDAC in-man CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCNCC2)C1 258519132 LXBSANNSCSHVDB-VXGBXAGGSA-N 269.389 1.337 0 30 CDAC Cc1c(N[C@@H](C(=O)O)[C@H](C)O)ccc(C#N)c1Cl 115764088 QDUXEUWZKSXNSH-WRWORJQWSA-N 268.700 1.766 0 30 CDAC NCCc1nc2ccccc2n1CCn1ccnc1 386295889 JCRXJVOUAMDBBY-UHFFFAOYSA-N 255.325 1.434 0 30 CDAC Cc1nc(S(=O)(=O)N(C)C2CCCCC2)cn1C 155300 BVPQZXGYXNBMCW-UHFFFAOYSA-N 271.386 1.682 0 30 CDAC OC(O)C(Br)(Br)Br 5178435 NJHVMXFNIZTTBV-UHFFFAOYSA-N 298.756 1.136 0 30 CDAC CC(C)(C)C(=O)N1CCN(c2ccccc2N)CC1 20265582 LZPZSFYYCVDFGN-UHFFFAOYSA-N 261.369 1.964 0 30 CDAC N[C@H](C(=O)O)[C@@H](CC(=O)O)c1ccc(Cl)cc1 2568198 ZHXBCPSYEAQEHB-WPRPVWTQSA-N 257.673 1.310 0 30 CDAC CN(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1 9340702 KNLHACMSRRFBAF-UHFFFAOYSA-N 260.337 1.627 0 30 CDAC CC(C)COC(=O)[C@@H]1c2ccc(O)cc2[C@H](O)CN1C 31881003 LRSDNUVUJLHRAP-KGLIPLIRSA-N 279.336 1.611 0 30 CDAC O=Cc1cc(Br)cc(OCC(=O)O)c1 2265360993 XQLNIVQTUMQLRG-UHFFFAOYSA-N 259.055 1.725 0 30 CDAC CC(C)(C)OC(=O)N1CCCN[C@](C)(C(=O)O)C1 604936640 FRVCLZARCZIGJT-LBPRGKRZSA-N 258.318 1.060 0 30 CDAC O=C(O)CCc1nc2ccccc2n1CCC(=O)O 174228 HIYOVKINRUARBW-UHFFFAOYSA-N 262.265 1.528 0 30 CDAC CCCn1c(=O)c2[nH]cnc2n(-c2ccccc2C)c1=O 4344960 QLRNLYDLUBMMJB-UHFFFAOYSA-N 284.319 1.594 0 30 CDAC COC(=O)[C@@H]1CC1(Br)Br 691801109 LYDFHIBOLORUDJ-VKHMYHEASA-N 257.909 1.665 0 30 CDAC C[n+]1cccc(Cl)c1I 144562612 XOEGHHBPZZAEQP-UHFFFAOYSA-N 254.478 1.769 0 30 CDAC O=S1(=O)CCc2nc(Br)sc2C1 76700221 OILJQJFNMVFFQU-UHFFFAOYSA-N 268.157 1.377 0 30 CDAC CS(=O)(=O)c1nc2ccnc(Br)c2s1 94568714 DTXRGYCMGSGFIG-UHFFFAOYSA-N 293.167 1.857 0 30 CDAC CC(C)COC(O)(OCC(C)C)P(=O)(O)O 223499117 QDFRVIAIACXOQE-UHFFFAOYSA-N 256.235 1.113 0 30 CDAC CC(=O)N1CC(N2CCN(c3ccc(C)cc3)CC2)C1 22007646 JXHPBQJGQJYERZ-UHFFFAOYSA-N 273.380 1.348 0 30 CDAC O=C(O)[C@H]1C[C@H]1C(=O)N1CCOC12CCCCC2 41085 HXCLLYRUIXUTKJ-ZJUUUORDSA-N 253.298 1.226 0 30 CDAC COC(=O)[C@@H](N)[C@@H](C)c1ccc(OC)c(OC)c1 38611766 GVFHYRBEKBBJQE-UFBFGSQYSA-N 253.298 1.308 0 30 CDAC CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NC1CC1 71974200 DPFCMHQQTKBKAX-MNOVXSKESA-N 286.372 1.319 0 30 CDAC COC(=O)C1=C(C)[C@@H](c2ccc(F)cc2)NC(=O)N1 340064 UVIZDIUXKBUCEE-JTQLQIEISA-N 264.256 1.627 0 30 CDAC Cc1nc(N2CCNCC2)sc1Br 83883334 YNTWXLPONZAFMI-UHFFFAOYSA-N 262.176 1.624 0 30 CDAC CCOC(=O)[C@H]1C(=O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 390724576 QDRCEIFSUYFTIV-CKYFFXLPSA-N 297.351 1.907 0 30 CDAC COc1cc2c(cc1OC)[C@H](C)N(S(C)(=O)=O)CC2 166906 WMIXBLJVJFAGOV-VIFPVBQESA-N 285.365 1.583 0 30 CDAC CCC(=O)Oc1ccc(NC(=S)NCCCO)cc1 3086645 OSRIZRGAEUQNFK-UHFFFAOYSA-N 282.365 1.671 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCC(=O)O)CC1 725343593 LZHJRZDMDBZMIO-MGCOHNPYSA-N 273.329 1.924 0 30 CDAC COC(=O)c1cc(N2CCOC[C@H]2C)nc(Cl)n1 139348371 XZVIQCJUDMQXBK-SSDOTTSWSA-N 271.704 1.142 0 30 CDAC CC(C)c1ncc(Oc2cnn(C)c2)c(C(=O)O)n1 227939072 TUYHVNCMGOJEOV-UHFFFAOYSA-N 262.269 1.824 0 30 CDAC CC(C)(C)OC(=O)N1CCc2nc(CN)ccc2C1 396159954 NAVONKSWWYYTCG-UHFFFAOYSA-N 263.341 1.834 0 30 CDAC CCOc1ccccc1C(=O)NCCN1CCCC1 1855560 JUDUKEMBDHSMKL-UHFFFAOYSA-N 262.353 1.911 0 30 CDAC CON(C)C(=O)c1ccc(N2CCOCC2)cc1 14985910 WSYLISIXNVEDRW-UHFFFAOYSA-N 250.298 1.157 0 30 CDAC Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)o1 154031 JFYLPHDCCLBCNO-UHFFFAOYSA-N 251.282 1.833 0 30 CDAC O=C1c2cc(F)ccc2-n2c1nc1c(O)cccc1c2=O 3597635 BLWNESMUMSQRHW-UHFFFAOYSA-N 282.230 1.775 0 30 CDAC O=C1NC(=O)[C@]2(CCc3cc(Br)ccc32)O1 584648985 QGXOQPVPPXLVDX-LLVKDONJSA-N 282.093 1.857 0 30 CDAC CS(=O)(=O)c1ccc(NN)cc1C(F)(F)F 139761135 KPVHQZPLTBTLQF-UHFFFAOYSA-N 254.233 1.395 0 30 CDAC O=C1NS(=O)(=O)c2c(Cl)cc(Cl)cc21 675051935 YCORWGDDELNORT-UHFFFAOYSA-N 252.078 1.426 0 30 CDAC CC(C)(C)OC(=O)N1CCN(CC(F)(F)C(=O)O)CC1 685955605 KQPUEVXKECYDJE-UHFFFAOYSA-N 294.298 1.259 0 30 CDAC NC(=O)c1nn([C@H]2CCCCO2)cc1Br 2265385360 OCXJJZHTOPAHMJ-SSDOTTSWSA-N 274.118 1.444 0 30 CDAC CNC(=O)c1ccccc1[S@@](=O)c1ccccc1CO 173173 IJOYLBLADPHCFO-HXUWFJFHSA-N 289.356 1.705 0 30 CDAC CC(=O)OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1 131866 HNZSEFLDZXFAQV-UHFFFAOYSA-N 297.254 1.437 0 30 CDAC N#CNC(=O)CCCCCCCCC(=O)NC#N 33506281 OZZMKKRNGGDMPC-UHFFFAOYSA-N 250.302 1.302 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 118584562 HLWBAHUDEBFOOU-CYBMUJFWSA-N 270.329 1.886 0 30 CDAC Cc1c(I)c[nH]c(=O)c1[N+](=O)[O-] 139615388 BSICLQULGOEQBS-UHFFFAOYSA-N 280.021 1.196 0 30 CDAC COC(=O)[C@@H](N)Cc1ccc(Br)cc1C 217241028 DBFUPNVVLBKTGL-JTQLQIEISA-N 272.142 1.800 0 30 CDAC CN1[C@H]2CC[C@@H]1C[C@@H](NC(=O)c1nn(C)c3ccccc13)C2 102215424 DDHAJFBBJWHSBR-XYYAHUGASA-N 298.390 1.928 0 30 CDAC investigational OCCNC[C@@H](O)c1ccc(Br)cc1 71689860 BYMWMDIOMQFUPJ-SNVBAGLBSA-N 260.131 1.064 0 30 CDAC CC(C)(C)OC(=O)N[C@H](Cc1cnco1)C(=O)O 145749160 KRMNIBRMACJMFG-MRVPVSSYSA-N 256.258 1.195 0 30 CDAC CC(C)(C)OC(=O)CC[C@@]1(C2CC2)NC(=O)NC1=O 1857792993 XDNFTLZNOGLYAA-ZDUSSCGKSA-N 268.313 1.097 0 30 CDAC COc1cccc2[nH]c(B(O)OC(C)(C)C(C)(C)O)cc12 200313782 BEQBBSVSVQVZDC-UHFFFAOYSA-N 291.156 1.430 0 30 CDAC NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)s1 90686197 WCSIVCOSJPGYQF-UHFFFAOYSA-N 283.330 1.761 0 30 CDAC CS(=O)(=O)Nc1cc(-c2ccccc2)sc1C(N)=O 81834 WWTLFVCHLRHQQL-UHFFFAOYSA-N 296.373 1.886 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](O)[C@@H]2OC(C)(C)O[C@H]21 214378914 MLAAITQWGLZZQG-RCWTZXSCSA-N 285.340 1.331 0 30 CDAC C/C(=N/NC(N)=S)c1cc2ccc(O)c(C)c2oc1=O 39133515 BMHJTPBEPUCPLP-CHHVJCJISA-N 291.332 1.364 0 30 CDAC O=C1C[C@]2(CC[C@@H](NC(=O)OCc3ccccc3)C2)CN1 888084853 FLYMQNGAJZOPEA-CZUORRHYSA-N 288.347 1.972 0 30 CDAC COc1cc(N)c(I)cc1OC 90527428 XMKPOKAVPHVFEQ-UHFFFAOYSA-N 279.077 1.891 0 30 CDAC CNC(=O)c1ccc(-c2ccc3c(c2)[C@@H](N)C(=O)N3)cc1 536555930 BDVOITIQHODERW-CQSZACIVSA-N 281.315 1.665 0 30 CDAC O=C1C[C@]2(CC[C@H](NC(=O)OCc3ccccc3)C2)CN1 888084854 FLYMQNGAJZOPEA-XJKSGUPXSA-N 288.347 1.972 0 30 CDAC CC(C)(C)OC(=O)N1CCNC[C@@H]1CCC(=O)O 204684999 VJJNCJHMBQSTDZ-VIFPVBQESA-N 258.318 1.060 0 30 CDAC CCOc1cccc([C@@H](N)CS(C)(=O)=O)c1OC 2048484294 DDSBNKRFJWUHHA-JTQLQIEISA-N 273.354 1.138 0 30 CDAC C[C@@H]1CCC[C@@H](C)N1C(=S)NCCCN1CCOCC1 20458464 NKEASARVOPGOOG-ZIAGYGMSSA-N 299.484 1.846 0 30 CDAC CN(C(=O)OC(C)(C)C)C1CCN(C2CNC2)CC1 223757242 UGQCSTQDTAYZFV-UHFFFAOYSA-N 269.389 1.290 0 30 CDAC Cn1ncc2c(N(CCO)C3CCCC3)ncnc21 42525945 NZKSWZPDYYNYSD-UHFFFAOYSA-N 261.329 1.105 0 30 CDAC in-vitro NC(=O)C1CCN(Cc2nc(-c3cccs3)no2)CC1 4324863 YJUWPIFVEXKZCK-UHFFFAOYSA-N 292.364 1.495 0 30 CDAC CCOC(=O)c1cnn(C(=O)Cc2ccsc2)c1N 158354 JBFOOLFNRWWPAF-UHFFFAOYSA-N 279.321 1.586 0 30 CDAC COCc1nnc(I)s1 71052401 LXENKLRLORYFTQ-UHFFFAOYSA-N 256.068 1.289 0 30 CDAC Nc1ccc2c(c1Br)S(=O)(=O)CC2 616582955 RGLJRDKNNQWMOX-UHFFFAOYSA-N 262.128 1.361 0 30 CDAC COc1cc(C(=O)CN2CCOCC2)cc(OC)c1OC 25395290 PFGLWKZPHMSDEM-UHFFFAOYSA-N 295.335 1.227 0 30 CDAC CC(C)(C)OC(=O)N1CC(c2n[nH]cc2C(=O)O)C1 757170510 JHALVIVGJUPZQV-UHFFFAOYSA-N 267.285 1.442 0 30 CDAC CCOC(=O)[C@@H]1[C@H]2C[C@@H]([C@H](O)C2)N1C(=O)OC(C)(C)C 953019060 ZSZLTQSQRKYFTJ-MMWGEVLESA-N 285.340 1.308 0 30 CDAC CCOC(=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 56316611 BSVPGDMFRZGWHM-NSHDSACASA-N 286.372 1.539 0 30 CDAC CCOC(=O)[C@]12C[C@H]1CCN2C(=O)OC(C)(C)C 495755438 VQHDFROXQHCGAZ-RNCFNFMXSA-N 255.314 1.949 0 30 CDAC CC(=O)c1ccccc1NC(=O)CSCC(=O)O 102007 MFLPWOVVNCDEJF-UHFFFAOYSA-N 267.306 1.646 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 725378337 HMHYBCRJLNPUMK-NXEZZACHSA-N 257.330 1.441 0 30 CDAC COc1ccc(Cl)cc1NC(=O)N1CC(C(=O)O)C1 90033597 BONAUPRPYGNMIZ-UHFFFAOYSA-N 284.699 1.897 0 30 CDAC in-vitro O[C@H](CN1CCN(c2ccc(F)cc2)CC1)C(F)(F)F 20223674 WCLUPEMNBCCMFX-GFCCVEGCSA-N 292.276 1.871 0 30 CDAC O=C(N[C@@H]1CC[C@@H](O)C[C@H]1C(=O)O)OCc1ccccc1 32099037 WQOILGYIQSBEMR-JHJVBQTASA-N 293.319 1.527 0 30 CDAC CCC[C@H](CC)C1(CC)C(=O)NC(=S)NC1=O 33903614 SSWATJQIZBUQQZ-QMMMGPOBSA-N 256.371 1.740 0 30 CDAC in-man CN[C@H](C)c1cccc(N2C[C@@H](C)CS2(=O)=O)c1 93634660 CUBYMVJCKPGVNS-GHMZBOCLSA-N 268.382 1.753 0 30 CDAC CCN[C@H](Cc1ccc(F)cc1)CS(C)(=O)=O 52789050 HIUSALUNDFQTPZ-GFCCVEGCSA-N 259.346 1.391 0 30 CDAC CNC(=O)N1CC(=O)N(Cc2ccccc2Cl)C1=O 76918 QABHMHLYTLIPRW-UHFFFAOYSA-N 281.699 1.444 0 30 CDAC CC[C@H](C(=O)NC(=O)N[C@H]1CCc2ccccc21)N(C)C 5924290 OVHNSLYDROUXGZ-UONOGXRCSA-N 289.379 1.840 0 30 CDAC Cn1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)n1 394825975 KLDGSLZMQZNDLR-KBPBESRZSA-N 285.347 1.720 0 30 CDAC CC(C)n1nc(Br)c2c(O)ncnc21 536952492 CCLZGSSQABDBCC-UHFFFAOYSA-N 257.091 1.875 0 30 CDAC CC(=O)OC[C@@H](COc1ccccc1C)OC(C)=O 6071917 CVMSKRHCTWCITE-ZDUSSCGKSA-N 266.293 1.869 0 30 CDAC CN(C)C=C1C=NN(c2cccc(Cl)n2)C1=O 8781455 PAVALOWRPPILNX-UHFFFAOYSA-N 250.689 1.513 0 30 CDAC O=C(O)c1c(Br)n[nH]c1Br 205835934 HMYZODJJJKIHDK-UHFFFAOYSA-N 269.880 1.633 0 30 CDAC O=c1[nH]nc(S)n2nc(-c3cccs3)cc12 5928498 BGGMYZIFIPZSHS-UHFFFAOYSA-N 250.308 1.435 0 30 CDAC CCN1C(=O)N(C)C(=O)[C@](CC)(c2ccccc2)C1=O 32264920 MKNZJVPKBDCKQB-HNNXBMFYSA-N 274.320 1.775 0 30 CDAC COC(=O)[C@@](O)(NC(=O)c1ccc(C)cc1)C(F)(F)F 3663240 VJYCNVIORVXITP-NSHDSACASA-N 291.225 1.149 0 30 CDAC CCOC(=O)c1c(NS(C)(=O)=O)sc(C)c1C 126314 PCVFMHPSYWNREX-UHFFFAOYSA-N 277.367 1.913 0 30 CDAC COC(=O)c1cc(OC)c(OC)cc1N1C(=O)CCC1=O 116324 CXDVAQNOQFYTDU-UHFFFAOYSA-N 293.275 1.144 0 30 CDAC COC(=O)[C@H](CC1CCOCC1)NC(=O)OC(C)(C)C 22014334 SQDJMXRVEJKDFV-NSHDSACASA-N 287.356 1.869 0 30 CDAC FC(F)(F)n1ccc(I)n1 306910866 JLIWHOOOWFGJBD-UHFFFAOYSA-N 261.972 1.964 0 30 CDAC CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O 100101794 BEDAORKNVNNLMW-VIFPVBQESA-N 268.110 1.921 0 30 CDAC O=C(O)[C@@]1(C(F)(F)F)CCN(c2ccccn2)C1 584843873 UXBRGLMHYGJSOM-SNVBAGLBSA-N 260.215 1.925 0 30 CDAC Cc1cc2c(=O)c(C(=O)O)cn(CCCO)c2s1 35570279 LVMIRUKNFYMNER-UHFFFAOYSA-N 267.306 1.452 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O 38340580 OCKHEPQMWWPCNK-ZETCQYMHSA-N 272.326 1.664 0 30 CDAC CC(C)(C)OC(=O)N1CCCNC[C@]1(C)C(=O)O 95930094 OEYZRFVADVDDDT-GFCCVEGCSA-N 258.318 1.060 0 30 CDAC Nc1cc(Cl)cc(S(N)(=O)=O)c1Br 61881425 NTZGJJSOSFBJAJ-UHFFFAOYSA-N 285.550 1.332 0 30 CDAC in-vitro CCCCOC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 32205844 BSVKMGHOOYHLQO-QMMMGPOBSA-N 267.247 1.883 0 30 CDAC O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1 8212121 BTPLSDCMJSFMIC-UHFFFAOYSA-N 290.348 1.637 0 30 CDAC COC(=O)[C@@H]1CSCCN1C(=O)OC(C)(C)C 95829295 WATXLILDVUDIBE-QMMMGPOBSA-N 261.343 1.512 0 30 CDAC CC(=O)NS(=O)(=O)c1cccc(Br)c1 40692807 PPFWKFSFOCRHOX-UHFFFAOYSA-N 278.127 1.274 0 30 CDAC N[C@@]1(C(=O)O)CCc2cc(Br)ccc21 215307514 GOLPYIMQUBXZNR-JTQLQIEISA-N 256.099 1.634 0 30 CDAC CN1CCN(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3O)CC1 257084810 OARPTEVCRDPFQG-NEIABLLTSA-N 264.413 1.421 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1C[C@@H](N)C12CCOCC2 723539109 GNKZZXVIXSZHND-ZJUUUORDSA-N 256.346 1.408 0 30 CDAC COC(=O)[C@@H]1CCC(=O)CN(C(=O)OC(C)(C)C)C1 2265381473 KUBNYJCCIOKCEW-SECBINFHSA-N 271.313 1.376 0 30 CDAC Cc1cc(NC(=S)NC(=O)c2ccccc2)n(C)n1 165974 PFLWLMWRXCGKHV-UHFFFAOYSA-N 274.349 1.855 0 30 CDAC CC(C)(C)OC(=O)NC1=C[C@]2(CCNC2)C(=O)N1C1CC1 1384882998 XLLCTZPPDWKAPZ-HNNXBMFYSA-N 293.367 1.337 0 30 CDAC O=[N+]([O-])c1ccc2c(ccn2[C@@H]2C[C@H](O)[C@H](CO)O2)c1 146085506 ODPRBLIUAVWXNM-AVGNSLFASA-N 278.264 1.190 0 30 CDAC O=Cc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 96346916 HWSBEWFVRYNALS-UHFFFAOYSA-N 286.253 1.710 0 30 CDAC O=C(CNc1cccc2ccc(O)cc12)N1CCOCC1 111896051 SALMMXBIIDVDTN-UHFFFAOYSA-N 286.331 1.816 0 30 CDAC COC(=O)[C@@H](N)c1cc(C)cc(Br)c1 260064480 DYADGDXTDKYDIC-VIFPVBQESA-N 258.115 1.930 0 30 CDAC CC(C)(C)OC(=O)N1CCN([C@H]2C[C@@H](C(=O)O)C2)CC1 2265384492 LREVCLLIJIMYGM-PHIMTYICSA-N 284.356 1.402 0 30 CDAC NC(=O)C1CCN(c2ccc(Br)cn2)CC1 42351309 USKDPTOKHGSGHP-UHFFFAOYSA-N 284.157 1.546 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 238182506 QXBYCIDPSKXDDT-TVQRCGJNSA-N 271.313 1.345 0 30 CDAC COC[C@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C 399656798 JUQSAOIBCDLVJJ-LBPRGKRZSA-N 259.302 1.487 0 30 CDAC CC(C)(C)OC(=O)N1CCN(c2cc(N)[nH]n2)CC1 204757325 LJSFKBVHYJBQBF-UHFFFAOYSA-N 267.333 1.049 0 30 CDAC CCOC(=O)[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 309713816 AEKRZCOPIGVYIO-JTQLQIEISA-N 255.314 1.973 0 30 CDAC CC(C)(C)OC(=O)N1CCN2C(=O)NCC[C@@H]2C1 307512889 FDLSFQJSNYBLEU-SECBINFHSA-N 255.318 1.021 0 30 CDAC C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(Cl)cc1F 37413172 YFQIKMIQQQULKZ-ZCFIWIBFSA-N 295.719 1.621 0 30 CDAC CSCC[C@@H](NC(=O)c1ccsc1)C(=O)O 6019745 AQCNLDXJHBQKRG-MRVPVSSYSA-N 259.352 1.684 0 30 CDAC CC(=O)N(C)c1ccc(OC[C@H](O)CNC(C)C)cc1 2001874 GNBAJVHACSTUPO-CQSZACIVSA-N 280.368 1.407 0 30 CDAC CCOC(=O)[C@@]1(c2ccccc2)OCC[C@]1(C)O 1082838922 MMIPAHFHWOKHHK-UONOGXRCSA-N 250.294 1.616 0 30 CDAC O=C(O)[C@H]1CN(Cc2ccccc2)CC12CCOCC2 8698668 GHPUENVSRZQKTE-CQSZACIVSA-N 275.348 2.000 0 30 CDAC in-vitro COc1ccccc1O[C@H]1CCN(CCCO)C1 3620553 UWQNMHUNUGDTPE-LBPRGKRZSA-N 251.326 1.531 0 30 CDAC COC(=O)c1nscc1I 140797746 NDXAPAKRFXGRKU-UHFFFAOYSA-N 269.063 1.534 0 30 CDAC O=C(N[C@H]1CC[C@H](C(F)(F)F)NC1)C(F)(F)F 238854446 NSDVKSZMTZNBGK-CRCLSJGQSA-N 264.169 1.348 0 30 CDAC Cc1cc(NC(=S)NN)ccc1Br 98040 ABSYPTSIIZXLRW-UHFFFAOYSA-N 260.160 1.918 0 30 CDAC CC(C)(C)OC(=O)N1CCN(c2ccnc(N)n2)CC1 91353203 IQDWTLZCXHUGAQ-UHFFFAOYSA-N 279.344 1.116 0 30 CDAC COC(=O)[C@@H]1CC=C(S(=O)(=O)c2ccccc2)C1 607717285 QCOGJOMMXSNXIM-SNVBAGLBSA-N 266.318 1.927 0 30 CDAC O=C(O)c1nccnc1C(=O)OCCCc1ccncc1 4307737 RCXOZGVZBZZAKC-UHFFFAOYSA-N 287.275 1.359 0 30 CDAC CN(C)CCN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 22798640 JAPWWRPJNWOXFE-LBPRGKRZSA-N 271.405 1.537 0 30 CDAC COc1cc(C)cc(NCCCS(=O)(=O)O)c1 118054989 DYPGTLUYQZIULN-UHFFFAOYSA-N 259.327 1.693 0 30 CDAC in-vitro CCOC(=O)C1(C(=O)OCC)Cc2ccccc2C1 96395008 AKJKTAHHXPLCDE-UHFFFAOYSA-N 262.305 1.898 0 30 CDAC CN[C@@H](C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 202420460 KZAUWRAPVYYKCI-LLVKDONJSA-N 286.372 1.395 0 30 CDAC CN(C)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 109293935 KNKBHFFUFNJRQD-CYBMUJFWSA-N 276.336 1.876 0 30 CDAC CCOC(=O)Cn1c(=O)ccc2c(C)cc(C)nc21 96154 FJKJJXMBAYRNGT-UHFFFAOYSA-N 260.293 1.576 0 30 CDAC CC[C@@H](C)SCC1(CC)C(=O)NC(=O)NC1=O 5651090 KRDGQYQCMLUDFU-SSDOTTSWSA-N 258.343 1.281 0 30 CDAC NS(=O)(=O)c1cc(Br)cc2c1OCC2 95348340 IUVSHLZWEWQVIH-UHFFFAOYSA-N 278.127 1.031 0 30 CDAC NN(Cc1ccccc1)S(=O)(=O)c1ccccc1 71780074 SLMRFRQCDOFFRU-UHFFFAOYSA-N 262.334 1.751 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@@H]2OCC[C@@H]21 616577151 IXRUMBAPWZUQAD-GUBZILKMSA-N 271.313 1.486 0 30 CDAC COC(=O)C(=CNc1ncccn1)NC(=O)c1ccccc1 2265271930 JHVVLWHTDUYNPQ-UHFFFAOYSA-N 298.302 1.333 0 30 CDAC c1cncc(C2=N[C@@H](CN3CCCCC3)CON2)c1 1481826 QWVRTSZDKPRPDF-ZDUSSCGKSA-N 260.341 1.218 0 30 CDAC investigational C[C@H](c1ccc(Br)cc1)S(N)(=O)=O 50350098 HAZQIKILQBZNGG-ZCFIWIBFSA-N 264.144 1.799 0 30 CDAC COc1ccc(C(=O)C(=CN(C)C)S(C)(=O)=O)cc1 13398494 ARYNVRTWXNHMPO-UHFFFAOYSA-N 283.349 1.326 0 30 CDAC COCOc1cccnc1I 39408349 FOUHUAKFUSDOJA-UHFFFAOYSA-N 265.050 1.669 0 30 CDAC NS(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 130516042 APLHUFANCOFLEF-GFCCVEGCSA-N 298.364 1.076 0 30 CDAC COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)O 5751483 UTHSRMJVXNYLKG-VOAKCMCISA-N 264.362 1.229 0 30 CDAC Cc1ccc(C(=O)Nc2c(C)nc(C)[nH]c2=O)cc1 25501612 ZLXFYSXLUQLXPN-UHFFFAOYSA-N 257.293 1.947 0 30 CDAC CO[P@](=O)(OCCN(C)C)OC[C@H]1COC(C)(C)O1 22002389 OLYLDTWYTVWVGU-GIGQVBGESA-N 297.288 1.487 0 30 CDAC CC(C)(C)OC(=O)N1CCn2cc(C(=O)O)cc2C1 212643563 ZYPUHPLPQDPSDC-UHFFFAOYSA-N 266.297 1.937 0 30 CDAC CC(C)(C)OC(=O)COCN1CCC[C@H]1CCC(=O)O 584641360 XBSQEGHWKLOWCA-NSHDSACASA-N 287.356 1.631 0 30 CDAC CC(C)(C)OC(=O)[C@]1(C(=O)O)CCCC[C@H]1CN 1081110494 VUXVGAZURQOEIT-TVQRCGJNSA-N 257.330 1.548 0 30 CDAC CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 96327135 ZIZXKQNCOWTDRH-MRVPVSSYSA-N 275.301 1.006 0 30 CDAC COC1=CC(=O)O[C@H]1[C@@H](O)c1ccccc1Cl 9698 ICDNYWJQGWNLFP-NWDGAFQWSA-N 254.669 1.829 0 30 CDAC OCCSc1ccc2nnc(-c3ccccc3)n2n1 3129215 PKDMRMHWNDAWTJ-UHFFFAOYSA-N 272.333 1.876 0 30 CDAC COCCCNC(=S)NNC(=S)Nc1ccccc1 13656685 FJDYQFSKLDFOEH-UHFFFAOYSA-N 298.437 1.389 0 30 CDAC COc1ccccc1CC(=O)NC1C[C@@H]2CC[C@H](C1)N2C 132892 WTHJXUUFWSZIQW-GOOCMWNKSA-N 288.391 1.979 0 30 CDAC Cc1noc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1C 100237661 VJBJOAMLWIPBSG-NAKRPEOUSA-N 258.277 1.603 0 30 CDAC CN(C)S(=O)(=O)c1ccc(Cl)c2nonc12 90502716 BLWSVDDDPQZGIH-UHFFFAOYSA-N 261.690 1.127 0 30 CDAC CC(C)(C)OC(=O)NC1CC2(C1)NCCn1cccc12 299805622 YDHBTDPBBKCQTG-UHFFFAOYSA-N 277.368 1.974 0 30 CDAC CC(C)S(=O)(=O)n1cc(C(=O)O)c2ccccc21 142013988 VUECPTLASBKKSD-UHFFFAOYSA-N 267.306 1.926 0 30 CDAC C[C@@]1(O)OC(C(F)(F)F)(C(F)(F)F)CC1=O 1852786 MWYNNQGRHMWJIV-SCSAIBSYSA-N 252.110 1.548 0 30 CDAC CCOC1=C([N+](=O)[O-])CN(C2CCCCC2)C1=O 33962467 DHQVXRGPSDAKDQ-UHFFFAOYSA-N 254.286 1.686 0 30 CDAC CCOC(=O)c1ncn(C(C)(C)C(F)(F)F)c1N 393872847 ASFORGVLSPRWAR-UHFFFAOYSA-N 265.235 1.939 0 30 CDAC C/C(N)=C(/CC[C@@H](C)/C(C(=O)O)=C(/C)N)C(=O)O 137278358 KLKPMMJXNVVHRS-GKMUSKHASA-N 256.302 1.037 0 30 CDAC CCCCC1(C[C@H](C)CC)C(=O)NC(=O)NC1=O 1997491 VXPZOGWWCLRTKF-SECBINFHSA-N 254.330 1.965 0 30 CDAC C[C@H]1c2nnc(CO)n2CCN1C(=O)OC(C)(C)C 503853273 ZPXOVHJIHRNQHN-QMMMGPOBSA-N 268.317 1.082 0 30 CDAC CCCn1c(=O)cc(N)n(-c2ccccc2C)c1=O 171160 STDXIUWYBQAWRS-UHFFFAOYSA-N 259.309 1.300 0 30 CDAC CN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 36880980 AGCBTVPOGKFJMO-JTQLQIEISA-N 254.355 1.507 0 30 CDAC in-vitro CC(C)(C)OC(=O)NCCc1nc(C(=O)O)co1 40539447 LZOVRFNJESHFCK-UHFFFAOYSA-N 256.258 1.440 0 30 CDAC O=C(O)C1=CC(=NNc2ccc([N+](=O)[O-])cc2)C=CC1=O 256080954 RTQYUQUDISIJCV-UHFFFAOYSA-N 287.231 1.513 0 30 CDAC O=C(O)COCC(=O)NCc1csc2ccccc12 2151851 NGXURWKJKRHFAH-UHFFFAOYSA-N 279.317 1.619 0 30 CDAC O=C1NC2(CCNCC2)Oc2ccc(Br)cc21 2563897 SBEOZVCCSJKAHX-UHFFFAOYSA-N 297.152 1.651 0 30 CDAC CC(C)(C)OC(=O)N1CCN[C@@H](CC(F)F)C1 218024679 SRYYUDXHIBROGF-QMMMGPOBSA-N 250.289 1.851 0 30 CDAC Cc1nnc2nc(N(C)C)nc(C(F)(F)F)c2n1 32218528 LHGGCTVVMFVANW-UHFFFAOYSA-N 258.207 1.208 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCOC1)C(=O)O 69553856 YNYWZOUUORFIOY-BDAKNGLRSA-N 259.302 1.391 0 30 CDAC CCCS(=O)(=O)c1cc2ccccc2oc1=O 148981 LZENSURQIFBTTL-UHFFFAOYSA-N 252.291 1.977 0 30 CDAC O=C1CN(C(=O)c2ccc(Br)cc2)CCN1 19426082 KNWKUDGDVXDSRR-UHFFFAOYSA-N 283.125 1.021 0 30 CDAC COCCOc1cc(N)c(C(=O)O)cc1OCCOC 39326128 HUJDMSWRGMPHJD-UHFFFAOYSA-N 285.296 1.017 0 30 CDAC CN(C)C=C([N+](=O)[O-])S(=O)(=O)c1ccccc1 20365828 OAKJEQMGFHUZJY-UHFFFAOYSA-N 256.283 1.098 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@@H](CN2CCNCC2)C1 43214557 DOGRKKFAWSBARB-ZDUSSCGKSA-N 283.416 1.539 0 30 CDAC CCOC(=O)[C@H](F)SCC(=O)OC(C)(C)C 130556403 FOVXEGQNMQZSBO-MRVPVSSYSA-N 252.307 1.920 0 30 CDAC CC1=C(C(=O)Nc2ccccc2)[S@@](=O)CCO1 129181 UZXIHLNNJNITMJ-QGZVFWFLSA-N 251.307 1.636 0 30 CDAC CC(=O)c1cc(N)ccc1OC[C@H](O)CNC(C)(C)C 5138094 NDSFAFIRRXLJNE-GFCCVEGCSA-N 280.368 1.599 0 30 CDAC in-vitro Cc1cccc(N2CCN([C@@H](C)C(=O)O)CC2)c1C 11804459 JQMQHVDHRBCNCZ-ZDUSSCGKSA-N 262.353 1.899 0 30 CDAC O=C1CCc2cc(C3=NNC(=O)[C@@H]4C[C@@H]34)ccc2N1 101194489 LYGJKDQCOGHYOE-NXEZZACHSA-N 255.277 1.041 0 30 CDAC CCN(C)[Si](N(C)CC)(N(C)CC)N(C)CC 195816572 MJBZMPMVOIEPQI-UHFFFAOYSA-N 260.502 1.229 0 30 CDAC CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1=O 238854073 MPFHHVWPJLAKOP-VIFPVBQESA-N 285.340 1.764 0 30 CDAC COC(=O)c1nc(Br)c(Cl)nc1N 82317604 MEYTYCRWYBFDOW-UHFFFAOYSA-N 266.482 1.261 0 30 CDAC O=C(O)c1ccc(-c2cnc(N3CCOCC3)nc2)o1 223729939 UYXLJYSHMYCJGA-UHFFFAOYSA-N 275.264 1.271 0 30 CDAC CCOC(=O)C(=CN[C@@H](C(=O)O)c1ccccc1)C(C)=O 38202277 UPCXUKHAHUDJKJ-CYBMUJFWSA-N 291.303 1.438 0 30 CDAC CC(C)(C(=O)O)S(=O)(=O)c1ccc(Cl)cc1 37934652 GVSUJMAIHNUEDZ-UHFFFAOYSA-N 262.714 1.977 0 30 CDAC CCCOC(=O)[C@@H]1c2ccc(O)cc2[C@@H](O)CN1C 95762748 UYQLMPDQOLGGOL-STQMWFEESA-N 265.309 1.365 0 30 CDAC COCCOCCOCCNc1ccc(C)c(N)c1 33610830 ZRJJPVNDQXJTLL-UHFFFAOYSA-N 268.357 1.669 0 30 CDAC COC(=O)C(=CNc1cccnc1)NC(=O)c1ccccc1 2265270083 OHALJHGWSOOPDJ-UHFFFAOYSA-N 297.314 1.938 0 30 CDAC CC[C@H](C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)O 115133654 SNKREAYNFLPVKN-WPRPVWTQSA-N 288.344 1.127 0 30 CDAC COc1cc2c(cc1OC)CN1CC[C@@H](N)C[C@@H]1C2 79702976 MNWGSSRBSMFBHW-OLZOCXBDSA-N 262.353 1.552 0 30 CDAC COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC12CCNCC2 725262331 VBRSZDABOVLMHE-LLVKDONJSA-N 298.383 1.396 0 30 CDAC COC(=O)[C@H]1CC(=O)N/C(=N\c2ccccc2OC)S1 32273157 RQDFIFAALCHACI-SNVBAGLBSA-N 294.332 1.477 0 30 CDAC NC(=O)OCC(Cl)(Cl)[C@@H](O)c1ccccc1 2039751 KIUGWPDQHKXJHE-QMMMGPOBSA-N 264.108 1.989 0 30 CDAC CN(C)CCN1c2ccccc2C(=O)N[C@@H]1c1ccccn1 1995500 OYMBJBZLKALTEW-INIZCTEOSA-N 296.374 1.892 0 30 CDAC CC(C)(C)OC(=O)NCc1nc2n(n1)CCCN2 307743379 YXVOQAJEYYKZKW-UHFFFAOYSA-N 253.306 1.118 0 30 CDAC Cc1cc2c(NC(=O)CSCC(=O)O)cccc2nn1 156440 SQWMSECPFFXWPM-UHFFFAOYSA-N 291.332 1.695 0 30 CDAC COc1ccc(C(=O)Cn2nc(OC)ccc2=O)cc1 134512773 UHJBDUAAULAKSJ-UHFFFAOYSA-N 274.276 1.143 0 30 CDAC FC(F)(F)c1nnc(I)o1 229845714 HZVCTVJSLMLVDW-UHFFFAOYSA-N 263.944 1.693 0 30 CDAC CC[C@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)[C@@H](C)O 238734941 WNDKUMUAOQFAGL-CQJJVWNLSA-N 297.395 1.092 0 30 CDAC CC[C@@]1(c2ccccc2)C=C(NC(C)=O)C(=O)NC1=O 2019192 CJHLYZLMQMLMIU-HNNXBMFYSA-N 272.304 1.011 0 30 CDAC Brc1cn2ccnc2c(N2CCOCC2)n1 27081628 HCOBVOOOPUDGFL-UHFFFAOYSA-N 283.129 1.328 0 30 CDAC COC(=O)C(C)(C)Oc1ccc2c(c1)O[C@@H](CO)CC2 72232939 VPWKNYJKOYMTBZ-GFCCVEGCSA-N 280.320 1.703 0 30 CDAC O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nccs1 5670152 SUGSIWBFIBIQDM-KDXUFGMBSA-N 264.306 1.605 0 30 CDAC CC(C)(C)OC(=O)Cc1ccc(C[C@H](N)C(=O)O)cc1 79062007 NGMNYXQCCBKDET-LBPRGKRZSA-N 279.336 1.525 0 30 CDAC COc1c(OCC(F)(F)F)ccnc1C(=O)O 21298278 IAOUFCQYRFXNCG-UHFFFAOYSA-N 251.160 1.730 0 30 CDAC CCCOC(=O)[C@H](N)Cc1ccnc(Br)c1 2265362020 SBVHHMHKCCPKCD-SECBINFHSA-N 287.157 1.667 0 30 CDAC C[C@H]1CCC[C@H](C)N1C(=O)NCCCN1CCOCC1 12857647 CMWFAWFYMKPUAE-KBPBESRZSA-N 283.416 1.681 0 30 CDAC COc1cc([C@H]2NC[C@@H](O)c3cc(O)ccc32)ccc1O 31274328 STYTWIOMLSAZOK-GDBMZVCRSA-N 287.315 1.832 0 30 CDAC Cc1cc(OC[C@H]2CNC(=O)O2)cc(C(=O)O)c1 147155756 CCDRNXIYZLKSQD-SNVBAGLBSA-N 251.238 1.180 0 30 CDAC CCOC(=O)c1nc2c(Br)cc(F)cn2n1 953019519 OKUWXYCUYPZJKZ-UHFFFAOYSA-N 288.076 1.808 0 30 CDAC NCC(=O)COc1conc1COc1ccccc1 96347071 ZPIJUJQYMYVHJQ-UHFFFAOYSA-N 262.265 1.160 0 30 CDAC CCOC(=O)[C@H](N)CC1CN(C(=O)OC(C)(C)C)C1 261149643 RDTOLONKRFHGDV-SNVBAGLBSA-N 272.345 1.134 0 30 CDAC CN(C)CCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 22798647 JAPWWRPJNWOXFE-GFCCVEGCSA-N 271.405 1.537 0 30 CDAC CC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1cccnc1 33605352 MJXZBJCKDZKESQ-NXEZZACHSA-N 252.295 1.129 0 30 CDAC CCOC(=O)C[C@H]1CN(Cc2ccccc2)CCN1 221135941 JISNWYDETMHNFI-AWEZNQCLSA-N 262.353 1.414 0 30 CDAC COC(=O)CC[C@H](CC(=O)O)NC(=O)OC(C)(C)C 238350515 BQRPQYGOOWCDMZ-MRVPVSSYSA-N 275.301 1.308 0 30 CDAC CC(=O)NCc1ccc(OC[C@@H](O)CNC(C)C)cc1 2009811 IGUMCQGTANJTCY-AWEZNQCLSA-N 280.368 1.060 0 30 CDAC CC1=NN(C)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)[C@H](C)C2=O 725712274 QPDYXEOREFSSFW-CLAHSXSESA-N 295.339 1.029 0 30 CDAC O=C1N=C2SCCN2C(=O)[C@@H]1Cc1ccc(Cl)cc1 4214008 QSKVYHYMQQQAFS-SNVBAGLBSA-N 294.763 1.970 0 30 CDAC in-man Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1O 33640370 WHHSKYFOFHBPED-UHFFFAOYSA-N 275.304 1.841 0 30 CDAC COc1cc(OC)cc(N2C(=O)c3nccnc3C2=O)c1 68927 AVDQUGXXGXXXFE-UHFFFAOYSA-N 285.259 1.294 0 30 CDAC COc1nc(Cl)ccc1[C@@]1(C)CCCNC1=O 584627528 WAIMOOPDMOJEIR-GFCCVEGCSA-N 254.717 1.911 0 30 CDAC CN(C)CCOCCOC(=O)c1ccc(N)cc1 1853785 YEWZKNKRYURJHI-UHFFFAOYSA-N 252.314 1.004 0 30 CDAC Cn1ncc2c(N3CCCC[C@H]3CCO)ncnc21 40429242 FEAWBAXVSKGXJI-JTQLQIEISA-N 261.329 1.105 0 30 CDAC in-vitro CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 888084709 DXKJTABNOQSBTK-WDEREUQCSA-N 258.362 1.166 0 30 CDAC COC(=O)C(=[N+]=[N-])c1cccc(Br)c1 114808588 FGDPJYRUOWEGAS-UHFFFAOYSA-N 255.071 1.641 0 30 CDAC Cn1nccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 715403731 QAWZBTWTQPPLLH-JTQLQIEISA-N 266.345 1.302 0 30 CDAC C[C@@]1(O)C[C@](C(F)(F)F)(C(F)(F)Cl)OC1=O 1852774 HPVZASNIUXQIPA-RFZPGFLSSA-N 268.565 1.817 0 30 CDAC O=C(Cn1nnc(N2CCCC2)n1)c1ccc(Cl)cc1 88910 BTZQGNPZERPYAF-UHFFFAOYSA-N 291.742 1.810 0 30 CDAC NCCc1nc2ccccc2n1Cc1ccncc1 82558423 KYUVMYYAQDDQDA-UHFFFAOYSA-N 252.321 1.981 0 30 CDAC Cc1nn(C)c2c1CN[C@@H](COc1cccnc1)CO2 725712380 FHAKVSMUAGADJY-NSHDSACASA-N 274.324 1.053 0 30 CDAC O=S(=O)(Nc1ccc(CO)cc1)c1ccccc1 6416348 NJYQEVYFSKGUAQ-UHFFFAOYSA-N 263.318 1.980 0 30 CDAC C[C@@H](CO)NS(=O)(=O)c1ccccc1Br 35611158 GMCKLCQCMOOICW-ZETCQYMHSA-N 294.170 1.108 0 30 CDAC CN(C)/C=C1\C(=O)Nc2ccccc2N=C1N(C)C 33891318 VSXKZWMVPXBGBV-KTKRTIGZSA-N 258.325 1.676 0 30 CDAC CCOC(=O)C[C@H](C(=O)OCC)C(=O)C(C)(C)C 106490705 OHLVUEPSGYXRRO-VIFPVBQESA-N 258.314 1.734 0 30 CDAC CC(C)(C)OC(=O)N1CCC([C@H](N)CCO)CC1 95083483 IWVVFOKZRXTWIN-LLVKDONJSA-N 258.362 1.343 0 30 CDAC COc1cccc(B(O)OC(C)(C)C(C)(C)O)c1Cl 575321423 HZQNGOLWFISCDM-UHFFFAOYSA-N 286.564 1.602 0 30 CDAC CCOc1c(OC)cccc1[C@H](N)CS(C)(=O)=O 2048484293 CKMFRAFQXIXMCY-SNVBAGLBSA-N 273.354 1.138 0 30 CDAC CN1C(=O)c2cc(Br)ccc2OS1(=O)=O 2265385084 XFLSLTKGKMGQJP-UHFFFAOYSA-N 292.110 1.158 0 30 CDAC Nc1nccc(-c2nn(-c3ccc(F)cc3)ccc2=O)n1 147532 RDVRZHMVOHYTGE-UHFFFAOYSA-N 283.266 1.411 0 30 CDAC CCc1cccc(C)c1N(C(=O)CO)[C@H](C)COC 5956578 YRHZCHBPHOEWCA-GFCCVEGCSA-N 265.353 1.918 0 30 CDAC NC(=O)CC(CC(N)=O)c1ccccc1Br 95942478 SRIJOWODMVSMGQ-UHFFFAOYSA-N 285.141 1.284 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1ccoc1)C(=O)O 2392344 JMIUWWIKSKJLKF-VIFPVBQESA-N 255.270 1.800 0 30 CDAC O=C(O)CCCCC(=O)NOCc1ccccc1 86435813 COXWDARUJZKNSR-UHFFFAOYSA-N 251.282 1.879 0 30 CDAC COc1cc(Br)[n+]([O-])c(Br)c1 90516346 LWBAMDVGNSEKCX-UHFFFAOYSA-N 282.919 1.854 0 30 CDAC CC1(C)OC[C@@H]([C@@H](CO)OCc2ccccc2)O1 8699994 BCACQGHYULTSHT-OLZOCXBDSA-N 252.310 1.716 0 30 CDAC Cc1cnc2c(S(=O)(=O)N[C@@H](C)C(=O)O)cccc2c1 36968758 FQPKPBXIAWSBCC-VIFPVBQESA-N 294.332 1.295 0 30 CDAC N[C@@H](Cc1ccsc1Br)C(=O)O 96896956 KYVNKDPVZZZKOJ-YFKPBYRVSA-N 250.117 1.465 0 30 CDAC O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@@H]1O 32256441 WFQPYFHXXXIGLW-OAHLLOKOSA-N 297.270 1.703 0 30 CDAC O=Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1 95093140 UGXRFSNHOCGNDO-UHFFFAOYSA-N 283.740 1.994 0 30 CDAC O=C(O)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O 144196410 PXWOWORYDKAEJO-UHFFFAOYSA-N 290.250 1.408 0 30 CDAC CNn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 195767365 RCNJBEXSAWUACU-UHFFFAOYSA-N 270.647 1.666 0 30 CDAC CCOC(=O)[C@]1(c2ccccc2)OCC[C@]1(C)O 1082838920 MMIPAHFHWOKHHK-KBPBESRZSA-N 250.294 1.616 0 30 CDAC O=C(NC(=O)N1CCSCC1)c1c(F)cccc1F 167044 OJDWFRSPQYPCPO-UHFFFAOYSA-N 286.303 1.863 0 30 CDAC O=C(N1CCCC1)C1(c2ccccc2)CCNCC1 33607488 AXZIQVRCWWIWGP-UHFFFAOYSA-N 258.365 1.930 0 30 CDAC NS(=O)(=O)Cc1cc(Cl)cc(Br)c1 145686822 HSJBFHWHQZMMDG-UHFFFAOYSA-N 284.562 1.891 0 30 CDAC CNC(=O)[C@H](N)Cc1ccc(Br)cc1 144337130 KGOKBFCTHXMKML-SECBINFHSA-N 257.131 1.065 0 30 CDAC Cc1ncc(CO)c(CO)c1OC(=O)c1ccccc1 5419342 BLFFHRCQTXLMDE-UHFFFAOYSA-N 273.288 1.594 0 30 CDAC N[C@@H]1COc2cc(Br)ccc2NC1=O 258160621 HPPKSKIYPBDTCY-ZCFIWIBFSA-N 257.087 1.107 0 30 CDAC COC(=O)CC(=O)C(=NNc1ccc(C)cc1)C(=O)OC 263625827 QQIWUCFIYQSPNO-UHFFFAOYSA-N 292.291 1.068 0 30 CDAC CNC(=O)OCc1ccc(C=O)c(OCOC)c1 2048485870 MQWOKSDVFWDPDN-UHFFFAOYSA-N 253.254 1.338 0 30 CDAC Cn1cc([C@@H]2CNC[C@H](C(=O)OC(C)(C)C)C2)cn1 584880003 QIBIDNFFBJETLH-WDEREUQCSA-N 265.357 1.455 0 30 CDAC O=C(O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 2032242 NOZXKPUFOWZECN-UHFFFAOYSA-N 258.233 1.271 0 30 CDAC CC(CO)(CO)NC(=S)Nc1ccc(F)c(Cl)c1 139799 NJAHUEKGBONAOC-UHFFFAOYSA-N 292.763 1.509 0 30 CDAC COC(=O)c1cnn2c1CN(Cc1ccccc1)CC2 95642728 LSYGTTVBTFTTOI-UHFFFAOYSA-N 271.320 1.686 0 30 CDAC COC(=O)[C@@]12CNC[C@H]1CCN(C(=O)OC(C)(C)C)C2 712811262 UXSZAVAYIFFBBB-QMTHXVAHSA-N 284.356 1.006 0 30 CDAC Nc1ncnn2c(Br)cc(Br)c12 1777699123 WSNXYMBMXDQMHB-UHFFFAOYSA-N 291.934 1.837 0 30 CDAC O=C1NCCN[C@H]1c1ccccc1Br 51924980 MUQXZTVVAQKOSH-VIFPVBQESA-N 255.115 1.210 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2CO[C@@H](CN)[C@H]2C1 299806243 HLBMPIBPEUZPJQ-VWYCJHECSA-N 256.346 1.217 0 30 CDAC COC(=O)c1ccc2c(c1)CC[C@@]1(CCCNC1=O)C2 585164152 QWFFHPIDIXTTDL-INIZCTEOSA-N 273.332 1.858 0 30 CDAC CCCCCCSCCC(=O)OC[C@H](O)CO 33839269 SXNLGWZJZFAJAR-LLVKDONJSA-N 264.387 1.586 0 30 CDAC CN1CCN(c2ncc(-c3ccc(C=O)cc3)cn2)CC1 90669155 YRKDIFVEQYGRAI-UHFFFAOYSA-N 282.347 1.708 0 30 CDAC CC(C)(C)OC(=O)[C@@H]1NCCC[C@@H]1NC(=O)C(F)(F)F 397363088 BXWWAIRZUFTDOE-JGVFFNPUSA-N 296.289 1.127 0 30 CDAC Cn1ncnc1[C@]12CCN(C(=O)OC(C)(C)C)C[C@@H]1O2 669371586 ILBGWKNNJIGQHY-ZANVPECISA-N 280.328 1.050 0 30 CDAC Cc1noc(C)c1NC(=O)N[C@H]1CCCCNC1=O 1034915 BHTWRZSVMUPDNV-VIFPVBQESA-N 266.301 1.082 0 30 CDAC CCOC(=O)[C@H](C)S(=O)(=O)c1ccc(OCC)cc1 21984516 QDQNVZGZMOJXTJ-JTQLQIEISA-N 286.349 1.811 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)O 69553853 YNYWZOUUORFIOY-IUCAKERBSA-N 259.302 1.391 0 30 CDAC O=C1CNC(=S)N1CCOc1ccccc1Cl 77024 ZHVXLPCIGMWHRF-UHFFFAOYSA-N 270.741 1.436 0 30 CDAC COc1ncccc1C(=O)CP(=O)(OC)OC 219692084 CUGRUHJDEYXNRD-UHFFFAOYSA-N 259.198 1.759 0 30 CDAC CS(C)=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 96334808 WEESENDMYMPAIX-UHFFFAOYSA-N 262.312 1.345 0 30 CDAC COC(=O)[C@H]1Cc2cccc(Br)c2CN1 258425913 GOLWSIVVNICFIY-SNVBAGLBSA-N 270.126 1.636 0 30 CDAC N#CCCNc1nonc1-c1nc2ccccc2[nH]1 115362851 SQXFMHVFWFRLCE-UHFFFAOYSA-N 254.253 1.938 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@]2(CCOC2)C1 585164667 DGWCZFNRYUVTEX-ZANVPECISA-N 271.313 1.345 0 30 CDAC CCOC(=O)CS(=O)(=O)c1ccc(F)c(F)c1 36962141 CKTXEIPCJPXWJS-UHFFFAOYSA-N 264.249 1.302 0 30 CDAC CC(C)(C)OC(=O)NC1CCN(CC(N)=S)CC1 60276667 FFBXGQRKTUFOBS-UHFFFAOYSA-N 273.402 1.262 0 30 CDAC in-vitro CCOC(=O)[C@@H]1[C@H]2C[C@H](O)[C@H](C2)N1C(=O)OC(C)(C)C 136003620 ZSZLTQSQRKYFTJ-RCWTZXSCSA-N 285.340 1.308 0 30 CDAC COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccccc1 881731421 KUERUBWEHNZMOM-JTQLQIEISA-N 269.247 1.709 0 30 CDAC CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(CNC(=O)CO1)C2 231560743 QMNHWFFFQOLWFA-QWRGUYRKSA-N 296.367 1.434 0 30 CDAC C[C@H](NC[C@@H](O)c1ccc(O)c(O)c1)C(Cl)Cl 114222120 CLQDDCYCLSEGQD-QUBYGPBYSA-N 280.151 1.913 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H](F)[C@](F)(C(=O)O)C1 217677577 YCLWQLMUPRBYIC-WKEGUHRASA-N 251.229 1.368 0 30 CDAC N[C@]1(C(=O)O)CCc2ccc(Br)cc2C1 95755783 KUEQITHPTZKVLM-LLVKDONJSA-N 270.126 1.720 0 30 CDAC N[C@H](Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)O 39280921 LFQUEJCLKFDEFB-SSDOTTSWSA-N 289.085 1.312 0 30 CDAC CCOC(=O)CC[C@@H](CO)NC(=O)OC(C)(C)C 96347070 YJJLBIIKYNSDRO-VIFPVBQESA-N 261.318 1.215 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1cnco1)C(=O)O 145748962 KRMNIBRMACJMFG-QMMMGPOBSA-N 256.258 1.195 0 30 CDAC O=C1NC(=O)[C@@H](c2cc(Cl)sc2Cl)N1 307362742 JEVJPTXDSJRFAP-SCSAIBSYSA-N 251.094 1.935 0 30 CDAC CCOC(=O)CN1CCCN(C(=O)OC(C)(C)C)CC1 78574480 DTKJQRLFBHRYKI-UHFFFAOYSA-N 286.372 1.492 0 30 CDAC CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@H]1N 259556181 HUJJKWSEEUDHJK-ZIAGYGMSSA-N 262.353 1.399 0 30 CDAC CC(C)N(C)c1cnn([C@@H]2CCCNC2)c(=O)c1 216710803 LTIUITKHXCPNRI-LLVKDONJSA-N 250.346 1.012 0 30 CDAC c1ccc2c(c1)Nc1cc(N3CCNCC3)nnc1O2 33940658 CNKMDJBDZAQJTH-UHFFFAOYSA-N 269.308 1.736 0 30 CDAC COC(=O)c1ccc(C(=O)NCc2ncccn2)cc1 498045175 BFLOTGMZPJYPRA-UHFFFAOYSA-N 271.276 1.193 0 30 CDAC CC(C)(C)OC(=O)NC[C@@]1(CC(=O)O)CCOC1 725461288 ZRJWGOXTDLFADM-LBPRGKRZSA-N 259.302 1.393 0 30 CDAC Brc1cncc(-c2nnc3n2CCNC3)c1 53709534 KPLAVLIOHFTOKZ-UHFFFAOYSA-N 280.129 1.206 0 30 CDAC O=C1NC(=O)[C@@]2(C[C@@H](O)c3cc(Br)ccc32)O1 1776034318 ZFGQJQXMVHWYRI-KCJUWKMLSA-N 298.092 1.348 0 30 CDAC COc1cc(OC)c(N2C(=O)C=CC2=O)cc1Cl 137592 PXUWTOVXKHMQQT-UHFFFAOYSA-N 267.668 1.787 0 30 CDAC CSc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 1848350017 NRSPJHJRIBXXON-QMTHXVAHSA-N 291.376 1.989 0 30 CDAC CCOC(=O)[C@H](O)Cc1cccc(Br)c1 76165029 IXKPQTQYUTZHPV-SNVBAGLBSA-N 273.126 1.916 0 30 CDAC Cc1cccc2c(Cl)nc(C(=O)NCC(=O)O)c(O)c12 39134357 CJOMJHDOQCDEGG-UHFFFAOYSA-N 294.694 1.717 0 30 CDAC CNCc1nc([C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)n[nH]1 708140898 OWEOCYJIUYKFLD-DTWKUNHWSA-N 299.350 1.544 0 30 CDAC COC(=O)CC[C@H]1CC[C@H](CCC(=O)OC)C1=O 88483 MARBNQWAIKUQLO-NXEZZACHSA-N 256.298 1.488 0 30 CDAC Nc1cc(Cl)c(N2CCOCC2)cc1N1CCOCC1 150401 ODFDYKFDAGNGIM-UHFFFAOYSA-N 297.786 1.595 0 30 CDAC Nc1nc(SCc2nc(-c3ccccc3)no2)n[nH]1 115643 LNEAKUDUZWCIEX-UHFFFAOYSA-N 274.309 1.729 0 30 CDAC COC(=O)[C@@]12CC[C@@H]([C@H](O)C1)N2C(=O)OC(C)(C)C 59171657 DLGRTZJENYOJQN-IGJMFERPSA-N 271.313 1.062 0 30 CDAC CCOC(=O)c1c(C)nn(C)c1N[C@@H]1CCCC[C@H]1N 725712423 STISHIYTJGMPFK-GHMZBOCLSA-N 280.372 1.587 0 30 CDAC COC(=O)CC(=O)CC(=O)c1ccc(OC)cc1 136560907 NAZWURQNMUDKDZ-UHFFFAOYSA-N 250.250 1.400 0 30 CDAC COC(=O)[C@@H]1C[C@@H]2c3ccccc3N[C@@H]2N1C(=O)OC 34612821 UNJSYLFJPUKBGL-ADEWGFFLSA-N 276.292 1.536 0 30 CDAC COC(=O)[C@H]1Cc2ccc(Br)cc2C1=O 138001369 HQVLQXSFYKRSER-VIFPVBQESA-N 269.094 1.977 0 30 CDAC CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)O)OC2)C1 379476231 SRYYLHVDTOXDGH-VIFPVBQESA-N 271.313 1.487 0 30 CDAC O=c1[nH]c2cc(I)ccc2c(=O)o1 91302157 AMFXDGWSUCLGET-UHFFFAOYSA-N 289.028 1.086 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1CCNCCC1(F)F 616569067 MGZSHNFZZFGRPG-QMMMGPOBSA-N 250.289 1.898 0 30 CDAC CCOC(=O)[C@@H](C)S(=O)(=O)c1ccc(OCC)cc1 21984514 QDQNVZGZMOJXTJ-SNVBAGLBSA-N 286.349 1.811 0 30 CDAC CO[C@H]1O[C@@H](C)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OC 108475538 DNQLPGZLKBRKSP-RCXZEQIESA-N 282.336 1.339 0 30 CDAC COC(=O)C=CC(=CNCc1ccccc1)C(=O)OC 2265222010 PUOVZTRCBCFNMI-UHFFFAOYSA-N 275.304 1.562 0 30 CDAC O=C(O)Cc1nc(Br)n2c1CCCC2 2265385647 WKARTBDDOMABJP-UHFFFAOYSA-N 259.103 1.609 0 30 CDAC CC(C)(C)OC(=O)N1CC2(C[C@H](N)c3nccn32)C1 616582123 FBWHKDGGLQUBHJ-VIFPVBQESA-N 264.329 1.233 0 30 CDAC O=C1CCC(C(=O)Nc2cc(F)cc(F)c2)=NN1 157347 PEDVDXYYOKCTFZ-UHFFFAOYSA-N 253.208 1.169 0 30 CDAC CC(C)(CCO)NC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234518 BHQXQRWITRWDKM-GARJFASQSA-N 254.399 1.576 0 30 CDAC CCOC(=O)C1=C(N)Oc2ccccc2[C@H]1C(C#N)C#N 79944 PGZXQGHYGPTEEZ-GFCCVEGCSA-N 283.287 1.559 0 30 CDAC COCCOCCCNC[C@H]1COc2ccccc2O1 3650997 ZYDFAKZGPHZIED-ZDUSSCGKSA-N 281.352 1.469 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc(Cl)cnc1Cl 199347357 KFBBWLBHKVLVOC-UHFFFAOYSA-N 291.971 1.642 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc2c(F)cccc2[nH]1 200313737 VCFARADKADMAKG-UHFFFAOYSA-N 279.120 1.561 0 30 CDAC CCNCCCCNCCCCNCCCCNCC 5650422 QXOCYGPVDXDFLC-UHFFFAOYSA-N 286.508 1.725 0 30 CDAC investigational C[C@H]1CCN(C(=O)OC(C)(C)C)S(=O)(=O)O1 117688938 CIFMHARJEMLUFC-ZETCQYMHSA-N 251.304 1.277 0 30 CDAC COC(=O)Cc1sc(Br)nc1C 57538022 JWHQLBCNFDDVHS-UHFFFAOYSA-N 250.117 1.930 0 30 CDAC O=C1NCCOc2c1ccc(Br)c2F 1082795713 VIADDQKIMZNFKU-UHFFFAOYSA-N 260.062 1.710 0 30 CDAC C=C(C)C(=O)OCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 2525155 GWFCWZQFUSJPRE-WDEREUQCSA-N 284.308 1.540 0 30 CDAC O=C1O[C@H]2C[C@H]1CC[C@H]2I 117977086 ALVFLEWPYOOJPZ-PBXRRBTRSA-N 252.051 1.516 0 30 CDAC COc1ccc(/C=C2/NC(=S)NC2=O)c(Cl)c1OC 132855 OABDMHSTJMRHAB-FNORWQNLSA-N 298.751 1.702 0 30 CDAC CN(Cc1ccc(Cl)cc1Cl)S(N)(=O)=O 2037490 ZGLVYSGVOOIUBG-UHFFFAOYSA-N 269.153 1.629 0 30 CDAC CCOC(=O)[C@](O)(NC(=O)c1ccccc1)C(F)(F)F 3138016 DXINQABFAJIZLC-LLVKDONJSA-N 291.225 1.230 0 30 CDAC CSC[C@H]1COc2c(c(C(F)(F)F)nn2C)CN1 725712238 KUWYOKRTOFYOJP-ZCFIWIBFSA-N 281.303 1.653 0 30 CDAC Cc1nn(C)c2c1C=N[C@H](COc1ccccc1)CO2 885767760 NTIKUNVAXXORND-GFCCVEGCSA-N 271.320 1.987 0 30 CDAC COc1cc(Br)ccc1[C@H](N)C(=O)O 72196762 SUPHFMGQTWCOBY-QMMMGPOBSA-N 260.087 1.542 0 30 CDAC CCN(CC)CC(=O)Oc1c(OC)cccc1OC 95787581 VBBZRJAAHCVNMT-UHFFFAOYSA-N 267.325 1.951 0 30 CDAC CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 888084706 DXKJTABNOQSBTK-GHMZBOCLSA-N 258.362 1.166 0 30 CDAC CSc1nc(N)n(-c2ncccc2C(F)(F)F)n1 127286 WXPQCGVGDGWROE-UHFFFAOYSA-N 275.259 1.985 0 30 CDAC NCc1ccc(F)cc1I 83384073 GJIAYSKCVGZMTG-UHFFFAOYSA-N 251.042 1.889 0 30 CDAC CCOC(=O)c1c[nH]c2cc(-c3cccs3)nn2c1=O 100219709 JFZWLABQPUCEJM-UHFFFAOYSA-N 289.316 1.928 0 30 CDAC Cn1c(=O)sn(-c2cccc3ccccc23)c1=O 69924 KRANLBCLPYGQGW-UHFFFAOYSA-N 258.302 1.751 0 30 CDAC COC(=O)[C@@](C)(O)c1cccc(Br)c1 50974056 BFSGTXGMPFIOLW-JTQLQIEISA-N 259.099 1.830 0 30 CDAC in-vitro NC1(c2ncccc2Br)CCOCC1 306192009 PZIUZNPKCQFOPS-UHFFFAOYSA-N 257.131 1.809 0 30 CDAC CS(=O)(=O)CS(=O)(=O)Oc1ccc(Cl)cc1 2148087 HDZXIYSWXXWUTP-UHFFFAOYSA-N 284.742 1.051 0 30 CDAC CN(C)CCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 69561081 QMFFRFJULKQHLD-SECBINFHSA-N 292.401 1.259 0 30 CDAC Fc1cccc(Cn2nnc(N3CCCCC3)n2)c1 89071 MOESHSZPBKLLCG-UHFFFAOYSA-N 261.304 1.851 0 30 CDAC COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 39644949 XLZZZJSGAZLMIB-VHSXEESVSA-N 275.345 1.460 0 30 CDAC CCOC(=O)c1cn2nc(N3CCCC3)ccc2n1 158081 SCYHSGDDLVFVOP-UHFFFAOYSA-N 260.297 1.506 0 30 CDAC O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1cccnc1 71793139 HXPMRMUNVRANRB-UMSGYPCISA-N 272.304 1.221 0 30 CDAC COCc1cc(OC(=O)N(C)C)nc(SC)n1 89299 NHAMWEWCSMCNEA-UHFFFAOYSA-N 257.315 1.405 0 30 CDAC C[C@@H]1COCCN1c1cc(C[S@](C)=O)nc(Cl)n1 143891384 DXOHBFLOMTVYNW-NTCNTBNZSA-N 289.788 1.234 0 30 CDAC Cc1nn(C)c2c1CN(C(=O)OC(C)(C)C)[C@H](CO)CO2 725712219 GIAZLHDSXJGMRO-SNVBAGLBSA-N 297.355 1.219 0 30 CDAC COC(=O)[C@H]1Cc2c(ncn2C)CN1Cc1ccccc1 503853254 XNXFVYMNZLXNQB-OAHLLOKOSA-N 285.347 1.520 0 30 CDAC CCCCCCSCCC(=O)OC[C@@H](O)CO 33839270 SXNLGWZJZFAJAR-NSHDSACASA-N 264.387 1.586 0 30 CDAC CC(=O)OCc1cc(I)ccn1 71618547 FTDFGPXMWITJJB-UHFFFAOYSA-N 277.061 1.749 0 30 CDAC COC(=O)C(=O)c1ccc(Br)cc1OC 260790565 VPKYPZUILXTYAB-UHFFFAOYSA-N 273.082 1.813 0 30 CDAC C[C@@H](O)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)O 19394031 ISZMSTLXGGJJCR-ANLVUFKYSA-N 292.118 1.557 0 30 CDAC CN1[C@H]2C[C@@H](OC(=O)c3c[nH]c4ccccc34)C[C@@H]1[C@H]1O[C@@H]21 100092543 NVYPANNIKFKQTB-QRMLTMNQSA-N 298.342 1.937 0 30 CDAC CC(C)(C)OC(=O)N[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 256072884 XYLRDISIBZDXIN-FNCVBFRFSA-N 257.286 1.142 0 30 CDAC COCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1 18180254 QKNRPVGJMNRMRD-UHFFFAOYSA-N 271.320 1.931 0 30 CDAC CCOC(=O)[C@@](NC(C)=O)(N1CCCCC1)C(F)(F)F 20458850 VDHBEPMZGYXJAH-LLVKDONJSA-N 296.289 1.430 0 30 CDAC Nc1ccc(Br)c(C(=O)NC2CC2)c1 45622527 QJRUWRSQRBODQJ-UHFFFAOYSA-N 255.115 1.924 0 30 CDAC CN(c1ccc(Br)cn1)[C@@H]1CCNC1 70917440 KQGYYQZNQRSHSC-SECBINFHSA-N 256.147 1.642 0 30 CDAC COC1([C@H](NC(=O)OC(C)(C)C)C(=O)O)CCCC1 319415979 DXWRMCNZBMIKBJ-SECBINFHSA-N 273.329 1.924 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1ccc([Si](C)(C)C)cc1 232320753 VBWHZCDTFOOYMO-UHFFFAOYSA-N 294.276 1.485 0 30 CDAC CC[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 19261211 QBZNIVLSCXDTAG-CABZTGNLSA-N 265.309 1.550 0 30 CDAC O=C(N[C@@H]1CC[C@H](C(F)(F)F)NC1)C(F)(F)F 238854447 NSDVKSZMTZNBGK-RFZPGFLSSA-N 264.169 1.348 0 30 CDAC NC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 143861400 ZKOURGXSKGITPH-UHFFFAOYSA-N 282.277 1.283 0 30 CDAC NC1CCN([C@@H]2CCN(c3ccc(Cl)cn3)C2)CC1 131980208 KVHKTNBMBCQBEU-CYBMUJFWSA-N 280.803 1.737 0 30 CDAC CC(C)[C@H](ON1C(=O)c2ccccc2C1=O)C(=O)O 83261964 XWFIRGMUEUYWAL-JTQLQIEISA-N 263.249 1.323 0 30 CDAC Nc1nc(N)c2cc(I)ccc2n1 5974327 KPYKRRFRJSWIQN-UHFFFAOYSA-N 286.076 1.399 0 30 CDAC CCOP(=O)(CC(=O)C[C@@H](O)C(C)=O)OCC 96341840 HSDQBKZUQHXQHT-SNVBAGLBSA-N 266.230 1.162 0 30 CDAC CC(C)[C@H]1NC[C@]12C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2 675050141 GXGHQJIMONLFGZ-BLTAXRJOSA-N 284.400 1.649 0 30 CDAC O[C@@H](CN1CCN(c2ccc(F)cc2)CC1)C(F)(F)F 20223672 WCLUPEMNBCCMFX-LBPRGKRZSA-N 292.276 1.871 0 30 CDAC CCOC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)C(C)=O 21983265 ADRZKSCWMUVSDY-LBPRGKRZSA-N 289.287 1.051 0 30 CDAC CCn1ncc(N)c1C(=O)N(C)Cc1csc(C)n1 87874185 WKRBZFMYFRCRTO-UHFFFAOYSA-N 279.369 1.522 0 30 CDAC in-vitro Cc1cc(C(=O)NN2[C@@H]3CS[C@@H]2CS3)no1 131268 TXHGODZIIYMHOL-OCAPTIKFSA-N 257.340 1.076 0 30 CDAC O=C(NC(=S)N1CCOCC1)c1ccc(F)cc1F 171842 QUSNOHODBLVGFI-UHFFFAOYSA-N 286.303 1.312 0 30 CDAC CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1=O 238854072 MPFHHVWPJLAKOP-SECBINFHSA-N 285.340 1.764 0 30 CDAC O=C(O)CN(c1ccc(F)cc1[N+](=O)[O-])C(F)F 96347542 AUEROSVYAWPWNP-UHFFFAOYSA-N 264.159 1.848 0 30 CDAC COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1N 2510677 WHUUHAOHJPBCHR-UHFFFAOYSA-N 285.303 1.629 0 30 CDAC COc1cc2c(=O)n3c(nc2c(OC)c1OC)CCCC3 39124466 XZRQFPTXOIXFRK-UHFFFAOYSA-N 290.319 1.759 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)[C@H](C1)C2(F)F 409433571 SRXKXVDBUUMBPX-WRWORJQWSA-N 277.267 1.963 0 30 CDAC COc1cc2c(cc1OC)[C@H]1C[C@@H](N)[C@H](C)CN1CC2 3601720 KOFFSNPIPMAPHF-LERXQTSPSA-N 276.380 1.970 0 30 CDAC CCOc1cc2c(cc1OCC)[C@H](C(=O)O)NCC2 32098995 RZKLNIVIEFSKHU-CYBMUJFWSA-N 265.309 1.755 0 30 CDAC NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1 71709059 WVXCHHVMFRGCEL-UHFFFAOYSA-N 277.301 1.699 0 30 CDAC CON(C)C(=O)C1(NC(=O)OC(C)(C)C)CCCC1 145388864 IJFRIXYZOCTIMQ-UHFFFAOYSA-N 272.345 1.844 0 30 CDAC CCN(CCCS(=O)(=O)O)c1ccc(N=O)c(O)c1 28630878 BQGXXEGJJMEZMZ-UHFFFAOYSA-N 288.325 1.894 0 30 CDAC CCc1c(N(C)C)c(=O)n(-c2ccccc2)c(=O)n1C 33756505 VWEDCFSFEZGSKM-UHFFFAOYSA-N 273.336 1.165 0 30 CDAC CCN(CC)CCN(CCN(C)C)c1ccccn1 3614955 GIBQIAXYYREBFD-UHFFFAOYSA-N 264.417 1.791 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc2ccc(F)cc2[nH]1 200313157 YMZIIQGQICKLCL-UHFFFAOYSA-N 279.120 1.561 0 30 CDAC O[C@]1(C(F)(F)F)CC(c2ccc3c(c2)OCCO3)=NN1 114691 VRMGUPJGDSYAON-NSHDSACASA-N 288.225 1.406 0 30 CDAC CCOC(=O)Cc1c(C(=O)OCC)ccn1C(C)=O 15446248 PHSYGGRXHYRIKD-UHFFFAOYSA-N 267.281 1.431 0 30 CDAC COc1ccc(OC)c2c(=O)cc(C(=O)O)oc12 132993 KJLPUHZDFLXPIR-UHFFFAOYSA-N 250.206 1.508 0 30 CDAC CC(C)[C@@H](Br)C(=O)N[C@@H](C(=O)O)C(C)C 32219397 TXBCCLQZSRLUJW-HTQZYQBOSA-N 280.162 1.631 0 30 CDAC Cc1nn(C)c(C2CN(C(=O)OC(C)(C)C)C2)c1N 675050264 NAXQYLAZJGKATF-UHFFFAOYSA-N 266.345 1.645 0 30 CDAC O=C(O)[C@H]1CC[C@H]1C(=O)Nc1nnc(C2CC2)s1 147226 JYGYOCODSZVOAV-RQJHMYQMSA-N 267.310 1.465 0 30 CDAC COc1cc(F)cc(-c2n[nH]c3ncnc(N)c23)c1 113217614 IRSQPYCLTBGRRX-UHFFFAOYSA-N 259.244 1.750 0 30 CDAC CCOC(=O)c1ccc(NC(=S)NC(C)(C)CO)cc1 67358 ITALTHRLWIXWLF-UHFFFAOYSA-N 296.392 1.921 0 30 CDAC CC(C)(C)OC(=O)NC[C@@H]1CNC[C@@H]1C(F)(F)F 143855908 GWYXCNXINAWWBV-YUMQZZPRSA-N 268.279 1.909 0 30 CDAC N[C@H](Cc1ccsc1Br)C(=O)O 96896957 KYVNKDPVZZZKOJ-RXMQYKEDSA-N 250.117 1.465 0 30 CDAC CCOc1cc2c(cc1OCC)[C@@H](C(=O)O)NCC2 32098996 RZKLNIVIEFSKHU-ZDUSSCGKSA-N 265.309 1.755 0 30 CDAC CC(C)(C)OC(=O)N1CCC([C@H]2CNC(=O)C2)CC1 95883443 FROYIVDQMKSAJT-LLVKDONJSA-N 268.357 1.770 0 30 CDAC COC(=O)C1=C(N)Oc2ccccc2[C@H]1C(C#N)C#N 79938 INRPNDSJWJYAHF-LLVKDONJSA-N 269.260 1.169 0 30 CDAC O=C(O)/C=C/C(=O)Nc1ccc(Cl)c(C(=O)O)c1 99303 LWMGKFARXOYPGR-ONEGZZNKSA-N 269.640 1.618 0 30 CDAC NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O 98095401 PPIKECJIZOJKFA-UHFFFAOYSA-N 274.320 1.718 0 30 CDAC COCc1cc(=O)oc2cc(OC(=O)N(C)C)ccc12 89310 QLUCDVNVLIYCLH-UHFFFAOYSA-N 277.276 2.000 0 30 CDAC O=[N+]([O-])c1ccc2c(ccn2[C@@H]2C[C@H](O)[C@@H](CO)O2)c1 83301266 ODPRBLIUAVWXNM-XQQFMLRXSA-N 278.264 1.190 0 30 CDAC C=C(C)C(=O)OCCOC(=O)[C@H]1CCCC[C@H]1C(=O)O 33986278 GWFCWZQFUSJPRE-MNOVXSKESA-N 284.308 1.540 0 30 CDAC CSc1nc(=NC=C2OC(=O)c3ccccc32)[nH][nH]1 2265279329 YOQHOAPURMVAJR-UHFFFAOYSA-N 274.305 1.529 0 30 CDAC CC(C)(C)OC(=O)[C@H]1NCCC[C@H]1NC(=O)C(F)(F)F 397363093 BXWWAIRZUFTDOE-SFYZADRCSA-N 296.289 1.127 0 30 CDAC COC(=O)[C@H](N)Cc1ccc(Br)cc1F 69553531 ZVRVNDVYGDWWHN-SECBINFHSA-N 276.105 1.631 0 30 CDAC COC(=O)c1coc(C(F)(F)Br)n1 2265381460 HZALAXYVVHXLNX-UHFFFAOYSA-N 256.002 1.905 0 30 CDAC CS(=O)(=O)c1cccc(Br)c1N 82088416 GIZOVAMHBDBFAP-UHFFFAOYSA-N 250.117 1.435 0 30 CDAC CN(C)c1ccc(C=NNC(=O)c2csnn2)cc1 12949697 GFRVDRMYBYYYSE-UHFFFAOYSA-N 275.337 1.368 0 30 CDAC CC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl 125141 ZZONNJJZOMQJBJ-UHFFFAOYSA-N 267.759 1.683 0 30 CDAC CC(C)(O)CN1CCCN(C(=O)OC(C)(C)C)CC1 95883845 OOPQLCLIEPKNCK-UHFFFAOYSA-N 272.389 1.700 0 30 CDAC Cc1cc(Br)c(S(N)(=O)=O)cc1C(=O)O 138215773 OCKAOPGAXCSZIV-UHFFFAOYSA-N 294.126 1.103 0 30 CDAC COC(=O)CCN[C@H](C(=O)OC(C)(C)C)C(C)C 65743258 LQGJJRWQXSCWGU-NSHDSACASA-N 259.346 1.505 0 30 CDAC in-vitro CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 16929232 WKRBIHIDJVMVGS-NMKXLXIOSA-N 294.303 1.081 0 30 CDAC C[C@H]1CNC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 616582317 MLTNMWYTXODODN-GXFFZTMASA-N 256.346 1.374 0 30 CDAC O=C(O)c1ccccc1C(=O)OC[C@H]1CCCO1 38613324 UVTWTSOAOYEVAL-SECBINFHSA-N 250.250 1.721 0 30 CDAC O=S(=O)(NCCN1CCCC1)c1ccc(Cl)cc1 4389250 OCOVHQVZBBIDDA-UHFFFAOYSA-N 288.800 1.714 0 30 CDAC CC(C)(C)OC(=O)[C@@H](c1cccs1)[C@H](N)CC(=O)O 21301370 PVMIAQTVNIMMDR-LDYMZIIASA-N 285.365 1.975 0 30 CDAC O=C1COCCN1Cc1cncc(Br)c1 96032535 NRLNVOQGRDXGEC-UHFFFAOYSA-N 271.114 1.203 0 30 CDAC O=C(O)[C@H]1CC(=O)N(c2ccc(-c3csnn3)cc2)C1 112599 QPPQTCPAYIJQOK-VIFPVBQESA-N 289.316 1.643 0 30 CDAC CC1(C)C(Br)=C(C(=O)O)C(C)(C)N1O 22053332 CHBQXHRKVZRBIE-UHFFFAOYSA-N 264.119 1.982 0 30 CDAC in-vitro CC(C)[C@@H](NC(=O)OCc1ccccc1)C(N)=O 34304508 LWAHIZLDUQONHV-LLVKDONJSA-N 250.298 1.423 0 30 CDAC CCS(=O)(=O)c1cccnc1Br 40442697 ADGBTPTWNFPAJW-UHFFFAOYSA-N 250.117 1.638 0 30 CDAC O=C1CO[C@@H](c2ccc(Br)cc2)CN1 82566145 DUHQTJUGJSNMEI-SECBINFHSA-N 256.099 1.637 0 30 CDAC C[C@H]1CCC[C@@H](C)N1C(=S)NCCCN1CCOCC1 20458465 NKEASARVOPGOOG-OKILXGFUSA-N 299.484 1.846 0 30 CDAC O=C1CNC[C@H](C(c2ccccc2)c2ccccc2)N1 39133678 KLBLBZBRTDRSAD-OAHLLOKOSA-N 266.344 1.907 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C12CCOCC2 725378341 HMHYBCRJLNPUMK-ZJUUUORDSA-N 257.330 1.441 0 30 CDAC O=C1CCc2c(F)ccc(S(=O)(=O)C(F)F)c21 1775937655 YTNBHEVBBAOOMG-UHFFFAOYSA-N 264.224 1.951 0 30 CDAC C[C@H]1CN(c2ccc(NC(=S)NN)cc2)C[C@@H](C)O1 13466645 KAWDXZHLQDOTAW-AOOOYVTPSA-N 280.397 1.460 0 30 CDAC NCc1cc(S(N)(=O)=O)c(Cl)cc1Cl 84175609 JXJQNYPJNAFNQG-UHFFFAOYSA-N 255.126 1.100 0 30 CDAC Brc1ccc(I)nn1 238062508 FPTLRGGAEAETIX-UHFFFAOYSA-N 284.882 1.844 0 30 CDAC COC(=O)[C@H]1CC=C(S(=O)(=O)c2ccccc2)C1 607717284 QCOGJOMMXSNXIM-JTQLQIEISA-N 266.318 1.927 0 30 CDAC CCOC(=O)[C@@H]1OCCN1C(=O)OCc1ccccc1 72233023 AKYSKQVFZAYLSD-LBPRGKRZSA-N 279.292 1.545 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](Cc1cnc(F)[nH]1)C(=O)O 217342801 KVZOWQWJSNGOPA-ZETCQYMHSA-N 273.264 1.069 0 30 CDAC CC(C)COC(=O)[C@H]1c2ccc(O)cc2[C@@H](O)CN1C 95762754 LRSDNUVUJLHRAP-UONOGXRCSA-N 279.336 1.611 0 30 CDAC CCC[C@@H](CC)C1(CC)C(=O)NC(=S)NC1=O 1481929 SSWATJQIZBUQQZ-MRVPVSSYSA-N 256.371 1.740 0 30 CDAC in-man Cc1cc(S(=O)(=O)NN)c(Cl)cc1Cl 91288 NQBXPXKBWNUWKF-UHFFFAOYSA-N 255.126 1.454 0 30 CDAC CO[C@H]1O[C@H](C)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OC 77302752 DNQLPGZLKBRKSP-NZNQWUEYSA-N 282.336 1.339 0 30 CDAC in-vitro CC(C)C[C@H](CNC(=O)C1CCNCC1)CC(=O)O 88273024 YACPYTDJUGOXMF-NSHDSACASA-N 270.373 1.239 0 30 CDAC COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 196529822 LCFYSYMJGRZXEA-RGOKHQFPSA-N 299.323 1.258 0 30 CDAC O=C1NC(=O)[C@@]2(CCc3cc(Br)ccc3C2)N1 96320091 TYWWPNFEOUBYDY-LBPRGKRZSA-N 295.136 1.516 0 30 CDAC CCOC(=O)c1c(C)nc2nc(OC)cc(OC)n12 34437630 PUUITLVARMUJLN-UHFFFAOYSA-N 265.269 1.232 0 30 CDAC CCOC(=O)[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 238797022 RLBZVNJGAHTMMY-TUAOUCFPSA-N 299.367 1.964 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@]2(CCOC2)C1 585164666 DGWCZFNRYUVTEX-TVQRCGJNSA-N 271.313 1.345 0 30 CDAC O=C(NCCN1CCNC1=O)Nc1ccc(F)cc1F 146514 NZTDOYRNWSIYNV-UHFFFAOYSA-N 284.266 1.112 0 30 CDAC CCN1c2ncc(CCO)cc2C(=O)N(C)c2cccnc21 5842240 LSDLBGOYTYAGQC-UHFFFAOYSA-N 298.346 1.759 0 30 CDAC CC(C)(C)OC(=O)NC1CCC(N2CCNCC2)CC1 253567811 KMSUEKPAMUWBFM-UHFFFAOYSA-N 283.416 1.728 0 30 CDAC CN1CCN(c2ccc(Nc3ncccn3)cc2)CC1 146668095 TUQRWJLLRSDKBQ-UHFFFAOYSA-N 269.352 1.972 0 30 CDAC CC(C)(C)OC(=O)N1CC(=O)N2CCCC[C@@H]2C1 203935407 JVPPVIFVHQPTFE-SNVBAGLBSA-N 254.330 1.618 0 30 CDAC Cc1ccc2c(B(O)OC(C)(C)C(C)(C)O)cccc2n1 2265328758 SHQSRSJUEIKGNM-UHFFFAOYSA-N 287.168 1.797 0 30 CDAC CCOC(=O)c1cn2nc(N3CCCCC3)ccc2n1 158122 DRQJUHFNNUTWNU-UHFFFAOYSA-N 274.324 1.896 0 30 CDAC Cc1nn(-c2ccccc2)nc1CNC(=O)C1CC1 1034894 YPILRFRXRZYMRD-UHFFFAOYSA-N 256.309 1.602 0 30 CDAC COC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(C)=O 38393188 RZINTODIHGEBKN-GFCCVEGCSA-N 263.293 1.246 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H]1CC[C@@H](O)CC1 104848667 CFJDDDVVNKUBCL-OPRDCNLKSA-N 273.329 1.515 0 30 CDAC CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)O)C1 198723251 KBOAYZVPFMNCCX-SNVBAGLBSA-N 270.329 1.155 0 30 CDAC COC(=O)c1cnc2c(Br)c(C)nn2c1 259999868 GXILVJLGHBWCFW-UHFFFAOYSA-N 270.086 1.587 0 30 CDAC CCOC(=O)[C@@H](C)S(=O)(=O)c1ccc(C)cc1 34523223 WYELDSBLILVIST-SNVBAGLBSA-N 256.323 1.720 0 30 CDAC CN1CC[C@H](N)[C@]12CCCN(C(=O)OC(C)(C)C)C2 685954990 RHGSYUXKQKOARI-SMDDNHRTSA-N 269.389 1.419 0 30 CDAC COC[C@H](C)Oc1ccc(Cl)cc1S(N)(=O)=O 69902942 AXMRNRZXUSFMMW-ZETCQYMHSA-N 279.745 1.401 0 30 CDAC in-vitro Cc1cc(Br)cc2c(=O)oc(=O)[nH]c12 26463346 IHPKGISNXMRMIH-UHFFFAOYSA-N 256.055 1.552 0 30 CDAC CC[C@@H](CN)NC1CCN(Cc2ccccc2)CC1 44712502 QUFUCZKLZXBWAU-HNNXBMFYSA-N 261.413 1.978 0 30 CDAC COc1cc2nccn2cc1I 725327624 FZPMTRUCMJJQNY-UHFFFAOYSA-N 274.061 1.948 0 30 CDAC C[C@H](O)COc1ccc(C(=O)CO)c2ccccc12 1855889 DEVJBGWNDCATIL-JTQLQIEISA-N 260.289 1.774 0 30 CDAC COc1cc(/C=C/C2=NNC(=O)CC2)cc(OC)c1OC 110367 QRIDCJWQKAVVCA-SNAWJCMRSA-N 290.319 1.992 0 30 CDAC O=C(O)C[C@@H]1CCc2ncc(Br)n2C1 212596743 BYWFDBYXWLNQTR-LURJTMIESA-N 259.103 1.683 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](CN)CO2)C1 110914984 HIIRWGRMPFSSLM-GWCFXTLKSA-N 256.346 1.361 0 30 CDAC COc1ccc(-c2n[nH]cc2CN2CCN(C)CC2)cc1 19924878 VKIGEGBBIFEMOM-UHFFFAOYSA-N 286.379 1.833 0 30 CDAC COCCOc1ccc(NC(=S)N2CCOCC2)cc1 2144152 MVJSNIZMBLOVND-UHFFFAOYSA-N 296.392 1.741 0 30 CDAC Nc1ncc(Br)c(OCC(F)(F)F)n1 87840732 STJDVVZXTNBLLV-UHFFFAOYSA-N 272.024 1.762 0 30 CDAC O=C1CNCCN1Cc1ccc(C(F)(F)F)cc1 51666631 LULIGLBMBCGGJW-UHFFFAOYSA-N 258.243 1.637 0 30 CDAC O=c1[nH]c(=O)n(-c2ccccc2)n1-c1ccccc1 39247297 YNALDGIYPCAQOR-UHFFFAOYSA-N 253.261 1.317 0 30 CDAC Cc1nn(-c2ccccc2)nc1C(=O)NC(=O)N1CCCC1 91270 DXAQSWLLWIARSV-UHFFFAOYSA-N 299.334 1.521 0 30 CDAC O=C(O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 52012631 DCNHBIIFRMKENY-NEPJUHHUSA-N 263.293 1.418 0 30 CDAC O=C1O[C@H](C(F)(F)F)N2[C@@H]1CS[C@H]2C(F)(F)F 215299221 KRLNXNAGXREPBI-GMSGWIQWSA-N 281.177 1.737 0 30 CDAC CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)C(=O)O 238120846 MZXVITVTMTVTTF-UHFFFAOYSA-N 290.316 1.447 0 30 CDAC CCOC(=O)Cc1nc(COC)ccc1C(=O)OCC 2265362175 XIDJWNPOGSLPSJ-UHFFFAOYSA-N 281.308 1.510 0 30 CDAC CSc1ncc(S(=O)(=O)Cc2ccco2)c(N)n1 125457 OEOXWQSJWDYZSE-UHFFFAOYSA-N 285.350 1.348 0 30 CDAC O=C(NC1CC1)OC[C@@H](O)[C@@H]1COc2ccccc2O1 3634992 VCFPGQUWJMMYKA-MFKMUULPSA-N 279.292 1.076 0 30 CDAC COC(=O)[C@]12CNC[C@H]1CCN(C(=O)OC(C)(C)C)C2 712811434 UXSZAVAYIFFBBB-YGRLFVJLSA-N 284.356 1.006 0 30 CDAC CCOC(=O)c1c(I)ncn1C 44200899 DPODAHZIWYCLOO-UHFFFAOYSA-N 280.065 1.201 0 30 CDAC COC(=O)c1cc(I)on1 685945535 LOUWMWFZSKWPSF-UHFFFAOYSA-N 252.995 1.066 0 30 CDAC CC[C@H](C(=O)NC(=O)N[C@@H]1CCc2ccccc21)N(C)C 5924285 OVHNSLYDROUXGZ-ZIAGYGMSSA-N 289.379 1.840 0 30 CDAC C[C@@H](C(N)=S)N1CCN(C(=O)OC(C)(C)C)CC1 70995642 UFABUBXXUVUTQR-VIFPVBQESA-N 273.402 1.214 0 30 CDAC COCCOCCOCCOCCOC(C)(C)C 5353738 JUVLNFFZRNEVSY-UHFFFAOYSA-N 264.362 1.498 0 30 CDAC NCc1nc(Br)cc(Br)n1 136379274 GYZGGFWISXAUQH-UHFFFAOYSA-N 266.924 1.460 0 30 CDAC COC(=O)[C@](O)(NC(=O)c1cccc(C)c1)C(F)(F)F 4336767 JEEYVBYUYIIIEC-LLVKDONJSA-N 291.225 1.149 0 30 CDAC O=C(O)COCC(=O)NCc1c(F)cccc1Cl 4371547 SHDYQBXMMSGIHF-UHFFFAOYSA-N 275.663 1.197 0 30 CDAC O=C1CCc2cc(C3=NNC(=O)[C@H]4C[C@H]34)ccc2N1 101194486 LYGJKDQCOGHYOE-UWVGGRQHSA-N 255.277 1.041 0 30 CDAC COCc1cc(OC(=O)N(C)C)nc2c1c(C)nn2C 94797 XIUUSVIVDUVGES-UHFFFAOYSA-N 278.312 1.484 0 30 CDAC Cc1cc(=O)oc2cc(NC(=O)CCC(=O)O)ccc12 153905 HBIXHZONDRHFBR-UHFFFAOYSA-N 275.260 1.905 0 30 CDAC Nc1ncc(C(=O)O)c(Cl)c1Br 306774891 WCTAIGZAHGDRGC-UHFFFAOYSA-N 251.467 1.778 0 30 CDAC CNC(=O)c1ccc2cncc(Br)c2n1 8700526 CXXAZTBJANEUQL-UHFFFAOYSA-N 266.098 1.752 0 30 CDAC Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccccc1 171050 VVXLEDWLGWNLRW-UHFFFAOYSA-N 293.326 1.630 0 30 CDAC N[C@]1(C(=O)O)CCc2cc(Br)ccc21 215307473 GOLPYIMQUBXZNR-SNVBAGLBSA-N 256.099 1.634 0 30 CDAC O=C1c2cccc3oc(=O)n(c23)C[C@@H]1Br 39136265 RAQSFRRDKQFUTI-LURJTMIESA-N 268.066 1.554 0 30 CDAC C[C@@H](O)CC[C@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O 2018119 KWKUDHRFXHHXFJ-KOLCDFICSA-N 282.340 1.175 0 30 CDAC O=C(O)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 154033 WISCQRDTEWKJOY-UHFFFAOYSA-N 277.276 1.352 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(N)CC1 58040854 UHYJALVBGNHXLW-LBPRGKRZSA-N 297.399 1.336 0 30 CDAC Cn1nccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1 715403732 QAWZBTWTQPPLLH-SNVBAGLBSA-N 266.345 1.302 0 30 CDAC NS(=O)(=O)c1cc(Br)c(F)cc1Cl 575675076 FXHVOTKQABEIPG-UHFFFAOYSA-N 288.525 1.889 0 30 CDAC COC(=O)c1cc(N)c(F)c(I)c1 575730890 LNUXMWOMFBQQLR-UHFFFAOYSA-N 295.051 1.799 0 30 CDAC COC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 34606133 OOVXDDGVDXJGQX-QMMMGPOBSA-N 263.359 1.806 0 30 CDAC COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1[N+](=O)[O-] 140619747 VMYGFEPTOIEDQV-DTORHVGOSA-N 266.301 1.185 0 30 CDAC Cc1ccc(B(O)OC(C)(C)C(C)(C)O)c2cccnc12 2265362192 BPSYBUDMEOWEAV-UHFFFAOYSA-N 287.168 1.797 0 30 CDAC CCOC(=O)[C@@H]1[C@H]2C=CN(C(=O)OC(C)(C)C)[C@H]21 687767244 REJWSIPAOLSCDC-OPRDCNLKSA-N 253.298 1.929 0 30 CDAC Cc1ccc(/C=c2\sc3nnc(-c4ccco4)n3c2=O)o1 1036563 FWHZAQCAVNCARX-XFFZJAGNSA-N 299.311 1.860 0 30 CDAC NCCCNCCCCCCCCCNCCCN 3823486 JTXGXJZZAIHSKO-UHFFFAOYSA-N 272.481 1.594 0 30 CDAC CN1CCN(c2n[nH]c3ccc(Cl)cc23)CC1 33901600 QRNHTSFHCVUGIL-UHFFFAOYSA-N 250.733 1.968 0 30 CDAC CCOCCNCc1ccc(CNCCOCC)cc1 38644081 PXNFRRGZKFZDOU-UHFFFAOYSA-N 280.412 1.939 0 30 CDAC COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1 144169127 CYWMUIXUMIVRHP-MRVPVSSYSA-N 261.343 1.512 0 30 CDAC Cc1ccc(-n2nccn2)c(C(=O)N2CCNCC[C@H]2C)c1 95629089 FURCQDWTOXYTNN-CYBMUJFWSA-N 299.378 1.400 0 30 CDAC CCOC(=O)c1ccccc1N(CC(=O)N(C)C)C(C)=O 2009229 XMJIDMRHFZMRSU-UHFFFAOYSA-N 292.335 1.304 0 30 CDAC COc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)o1 4335872 IRRGWIBGOSLPPQ-UHFFFAOYSA-N 295.604 1.901 0 30 CDAC CCOC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 260424556 YIKSBMMHYQTONW-JTQLQIEISA-N 285.340 1.766 0 30 CDAC CC(C)(C)OC(=O)N1CCN(c2cc(CO)ccn2)CC1 12370437 IIVNGRBJSABOQV-UHFFFAOYSA-N 293.367 1.631 0 30 CDAC CC(C)(C)OC(=O)N[C@@H](CCCCCN)C(=O)O 13541896 NTXXFCGREVWJGJ-VIFPVBQESA-N 260.334 1.483 0 30 CDAC CC(=O)N[C@@H]1CCO[C@H](c2c(C)nn(C)c2Cl)C1 585662363 WOYIPVCGTUEORG-ZJUUUORDSA-N 271.748 1.738 0 30 CDAC COCCCNC(=S)Nc1ccc2cn[nH]c2c1 4347944 WIKCOCLRQZGXHW-UHFFFAOYSA-N 264.354 1.886 0 30 CDAC O=C1Cc2cc(C(=O)O)c(Br)cc2N1 136439633 YSDAAIVIVNBPEU-UHFFFAOYSA-N 256.055 1.642 0 30 CDAC COc1cc(CCN)cc(OC)c1OCC1CC1 27212403 LNTBHKZMYJTHTH-UHFFFAOYSA-N 251.326 1.994 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CC2(CCc3nncn3C2)C1 642883448 YDCSCNTXAAICPF-UHFFFAOYSA-N 264.329 1.461 0 30 CDAC CC(C)[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)O 34523679 XWFIRGMUEUYWAL-SNVBAGLBSA-N 263.249 1.323 0 30 CDAC CCN1C(=O)N(C)C(=O)[C@@](CC)(c2ccccc2)C1=O 32264919 MKNZJVPKBDCKQB-OAHLLOKOSA-N 274.320 1.775 0 30 CDAC C/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1 128589 DGZQNLFWBKUAMR-ONEGZZNKSA-N 259.353 1.953 0 30 CDAC C[C@H]1CNCCN1c1ccc(Br)cn1 54375198 JFDFHIWWBMESKN-QMMMGPOBSA-N 256.147 1.642 0 30 CDAC CC(C)C[C@H](ON1C(=O)c2ccccc2C1=O)C(=O)O 83261206 MDMVYIQIEZUFLJ-NSHDSACASA-N 277.276 1.714 0 30 CDAC NN(CCO)C(=S)Nc1cc(Cl)ccc1Cl 145154 WGYUHSRPCNLTQZ-UHFFFAOYSA-N 280.180 1.858 0 30 CDAC CNCc1ccc(-n2cc3ccc(F)c(C(N)=O)c3n2)cc1 45347306 VAPIJKQVTBAYAU-UHFFFAOYSA-N 298.321 1.983 0 30 CDAC NS(=O)(=O)c1ccccc1-c1ccc(CO)cc1 71792112 WGDLNZQTRPKSKN-UHFFFAOYSA-N 263.318 1.493 0 30 CDAC Cc1ccc2c(c1)C(=O)O[C@]1(O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)N21 252428587 OOGYFYHGVBXWLB-KVZAPANVSA-N 297.310 1.596 0 30 CDAC O=S1(=O)CCOc2ccc(Br)cc21 307444148 BLDXBFTVZOVDRV-UHFFFAOYSA-N 263.112 1.615 0 30 CDAC O=C(Nc1cccs1)N1CCN(c2ncccn2)CC1 157807 RKSKZPWGNXGYPE-UHFFFAOYSA-N 289.364 1.892 0 30 CDAC O=C(NCC1(C(=O)O)COC1)OCc1ccccc1 725243866 AFUQHCQZHGZROX-UHFFFAOYSA-N 265.265 1.014 0 30 CDAC NCCOCCNC(=O)O[C@H]1CC/C=C/CCC1 2265352372 XSQPNTGHTKIODW-ISUDXETCSA-N 256.346 1.577 0 30 CDAC CC(C)(O)C(C)(C)OB(O)c1cc(Cl)ncc1F 221665649 NGOYKNGNDHGRRE-UHFFFAOYSA-N 275.516 1.128 0 30 CDAC CC1=Nn2c(Cn3nnc4ccccc43)nnc2SC1 159823 GDOOMYKMXMUNOZ-UHFFFAOYSA-N 285.336 1.401 0 30 CDAC COC(=O)c1ccc(N2CCNCC2)c(F)c1F 94270812 KLNLGYXAISQHII-UHFFFAOYSA-N 256.252 1.161 0 30 CDAC CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCCN1)C(=O)O 221042216 CLBXRMZQUKCXFD-NXEZZACHSA-N 272.345 1.497 0 30 CDAC CC(C)(C)OC(=O)NC[C@@H]1CNCC12CCOCC2 238854974 PZLMGEJAUYZYLM-NSHDSACASA-N 270.373 1.527 0 30 CDAC O=C(c1ccc(OCCO)cc1)C1(O)CCCCC1 90398603 NSGZRMWCXBRSAU-UHFFFAOYSA-N 264.321 1.936 0 30 CDAC CS(=O)(=O)[C@H]1Cc2cc(Br)ccc2C1=O 2265362025 UUEOYZPFCHPNMS-VIFPVBQESA-N 289.150 1.601 0 30 CDAC COCCOc1ccc(Cl)cc1S(N)(=O)=O 50428575 JNCRBHFLAJNLBL-UHFFFAOYSA-N 265.718 1.013 0 30 CDAC C[C@H]1CN(C)CCN1c1ccc(Br)cn1 227537765 BIJGAHNZQIKEIM-VIFPVBQESA-N 270.174 1.984 0 30 CDAC Nc1nc(CO)c(Br)cc1Br 238648028 YRBIJEXSGAFPLJ-UHFFFAOYSA-N 281.935 1.681 0 30 CDAC O[C@H]1C=CC(Br)=C(Br)[C@H]1O 35856132 LUTTVWWNZOQKSU-NJGYIYPDSA-N 269.920 1.279 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H](CN)C[C@@]1(C)C(=O)O 238790263 GNOGUTKPEAZUGX-PELKAZGASA-N 258.318 1.045 0 30 CDAC CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](O)C1 22013871 CVBLNNNHPBYDIV-ZANVPECISA-N 273.329 1.358 0 30 CDAC COC(=O)[C@](O)(CC(=O)c1ccccc1)C(F)(F)F 5660444 JAPSHNKZJDVTJI-LLVKDONJSA-N 276.210 1.726 0 30 CDAC O=S(=O)(Oc1cccnc1)c1cccc2nonc12 6500268 COAQOFCBLXORKN-UHFFFAOYSA-N 277.261 1.386 0 30 CDAC CCOC(=O)[C@@H]1CC[C@H](N)CN1C(=O)OC(C)(C)C 107271395 CVMRVIPMDLABQQ-UWVGGRQHSA-N 272.345 1.276 0 30 CDAC CC[C@H](C)[C@H](N)C(=O)NC[C@H](CC(=O)O)CC(C)C 88272968 RKXTZRUEBBDKMD-GVXVVHGQSA-N 272.389 1.613 0 30 CDAC CON=C[C@H]1C(=O)C[C@H]2c3ccccc3CCN2C1=O 254703459 DQZARWXLLYEZPO-STQMWFEESA-N 272.304 1.334 0 30 CDAC COC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C 95643263 AMWOORGVXJGKLE-AEJSXWLSSA-N 255.314 1.947 0 30 CDAC in-vitro CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 4324331 CWRLENUZSRMPBF-UHFFFAOYSA-N 288.369 1.368 0 30 CDAC C[C@@H]1CC[C@@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)O)O1 227060875 IWONQOADLJEBMT-HRDYMLBCSA-N 259.302 1.532 0 30 CDAC CO[P@](=O)(OCCN(C)C)OC[C@@H]1COC(C)(C)O1 22002376 OLYLDTWYTVWVGU-APBUJDDRSA-N 297.288 1.487 0 30 CDAC COc1ccccc1NC(=O)C=C1SCC(=O)N1C 3335945 JFPHEBZETBRQDS-UHFFFAOYSA-N 278.333 1.680 0 30 CDAC Cn1c(S)nnc1CSCC(=O)Nc1ccccc1 170751 FBMSDZNLGQKTIB-UHFFFAOYSA-N 294.405 1.976 0 30 CDAC O=C1c2nccnc2C(=O)N1c1ccc2c(c1)OCO2 146156 MMNDSFRFBOYZCN-UHFFFAOYSA-N 269.216 1.006 0 30 CDAC CC(C)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 95088469 HURMVDAJJJYCJI-HZPDHXFCSA-N 262.397 1.867 0 30 CDAC CC(C)(C)OC(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 288999277 TWMWNGQCBFDESQ-QMMMGPOBSA-N 268.317 1.213 0 30 CDAC COC(=O)[C@H](N)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 219072720 UARZMJAITSDITP-WDEREUQCSA-N 286.372 1.666 0 30 CDAC C[C@@]1(O)C[C@@](C(F)(F)F)(C(F)(F)Cl)OC1=O 1852777 HPVZASNIUXQIPA-UHNVWZDZSA-N 268.565 1.817 0 30 CDAC COC[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C 399656797 JUQSAOIBCDLVJJ-GFCCVEGCSA-N 259.302 1.487 0 30 CDAC CC(C)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 247983408 HURMVDAJJJYCJI-JKSUJKDBSA-N 262.397 1.867 0 30 CDAC O=S(=O)(Nc1nncs1)c1ccc(O)cc1 36724035 OLHOVAVQVWTLNN-UHFFFAOYSA-N 257.296 1.045 0 30 CDAC O=C1NC(N2CCCCC2)=NC1=Cc1ccc2c(c1)OCO2 2265279212 MEKFXUFACKZUCV-UHFFFAOYSA-N 299.330 1.728 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)O)[C@H](C1)C2(F)F 409433568 SRXKXVDBUUMBPX-CPCISQLKSA-N 277.267 1.963 0 30 CDAC O=c1c2[nH]cnc2cnn1COCc1ccccc1 34514394 MAJRKXRECIWBPB-UHFFFAOYSA-N 256.265 1.294 0 30 CDAC N=C(N)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 72266112 RNXDWJWSELTAQG-GFCCVEGCSA-N 261.325 1.971 0 30 CDAC COC(=O)C1=C(NC(=O)c2ccco2)CCS1 4072383 GUZJJFOMZASQTN-UHFFFAOYSA-N 253.279 1.531 0 30 CDAC CS(=O)(=O)c1ccc(CN)cc1C(F)(F)F 98095746 XCNUDFCFHMVCKJ-UHFFFAOYSA-N 253.245 1.568 0 30 CDAC in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)OCCC[C@@H]2N 238153059 DONMCNLMGQKHKK-NSHDSACASA-N 270.373 1.894 0 30 CDAC CN(C(=O)OCc1ccccc1)[C@H]1CNCCOC1 607716490 NJJSPOHLWFHPJB-ZDUSSCGKSA-N 264.325 1.243 0 30 CDAC NCCc1c[nH]c2cccc(OP(=O)(O)O)c12 14448388 IKQGYCWFBVEAKF-UHFFFAOYSA-N 256.198 1.141 0 30 CDAC Cn1cncc1[C@H](NC(=O)OC(C)(C)C)C(=O)O 90168672 CZXFNLMSXWRADH-QMMMGPOBSA-N 255.274 1.071 0 30 CDAC CON=C[C@H]1C(=O)C[C@@H]2c3ccccc3CCN2C1=O 254703458 DQZARWXLLYEZPO-QWHCGFSZSA-N 272.304 1.334 0 30 CDAC Cc1nn(C)c2c1CN[C@H](COc1ccccc1)CO2 725712376 DUHHHGOQQWKWOS-GFCCVEGCSA-N 273.336 1.658 0 30 CDAC CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)O)C1 958696080 ROJODKASJBBJRA-UHFFFAOYSA-N 259.302 1.079 0 30 CDAC CCOC(=O)Cc1ccc(OC[C@@H](O)CNC(C)C)cc1 35645485 ODIXSDYNGSUACV-AWEZNQCLSA-N 295.379 1.530 0 30 CDAC in-vitro CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)O 95347507 VZLVQFXGPOEBTM-UHFFFAOYSA-N 273.235 1.330 0 30 CDAC in-vitro CCOC(=O)c1cnc(N2CCNCC2)c(Cl)c1 72266100 QIVGFFFDXDKKOO-UHFFFAOYSA-N 269.732 1.321 0 30 CDAC CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)C(=O)O 146499572 WGHGBLXJADIZHC-BDAKNGLRSA-N 259.302 1.222 0 30 CDAC C=C=Cn1c(C)c[nH]/c1=N\S(=O)(=O)c1ccc(N)cc1 33866247 NYDAMWQCZZKXAJ-UHFFFAOYSA-N 290.348 1.252 0 30 CDAC CCc1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1 131013 ABRHDTODPDOIKT-ZDUSSCGKSA-N 296.392 1.196 0 30 CDAC CC(C)(C)OC(=O)CN(c1ccccc1)S(C)(=O)=O 192838957 ATRRDSRGVUAJOW-UHFFFAOYSA-N 285.365 1.794 0 30 CDAC CC(C)(C)OC(=O)[C@H]1NCC12CN(Cc1ccccc1)C2 81991226 VFWSLZMIAPYHQJ-CQSZACIVSA-N 288.391 1.802 0 30 CDAC CNc1nc(Br)cn2c(CO)cnc12 26995962 CWUARLQLCAXMCJ-UHFFFAOYSA-N 257.091 1.026 0 30 CDAC COCCOCCOCCOCCOCCOC(C)C 34064739 BGKYXKRAQUSQCT-UHFFFAOYSA-N 294.388 1.124 0 30 CDAC Nc1c(Br)cc(Br)nc1C(=O)O 67175898 SBRRKLXEZOMACR-UHFFFAOYSA-N 295.918 1.887 0 30 CDAC CC(C)(C)OC(=O)N1CCn2c1cc(Cl)nc2=O 95803950 WLANBPRGMLKBNA-UHFFFAOYSA-N 271.704 1.652 0 30 CDAC CC1=C2CC3=C(C)[C@H]4C[C@H]4[C@]3(C)[C@H](O)[C@]2(O)OC1=O 605705552 CHTCKGZAVQQDQT-CPSKBLKCSA-N 262.305 1.285 0 30 CDAC O=C(O)c1nccc2[nH]cc(I)c12 14986176 LNNXNQMWEUTBEV-UHFFFAOYSA-N 288.044 1.866 0 30 CDAC CN1C(=N)NC(=O)C1=Cc1ccc(OC(F)(F)F)cc1 4105018 ZBIQUZKXCBSRSG-UHFFFAOYSA-N 285.225 1.922 0 30 CDAC CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1 575555924 DONLAKDVNUXGSC-NNYUYHANSA-N 252.358 1.851 0 30 CDAC CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H]2O[C@H]12 642882219 DNQISHJFYDPYIS-SQJYRNMJSA-N 251.326 1.887 0 30 CDAC CC(=O)Oc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1 86709 BFFVGQBYGKVGSL-WDEREUQCSA-N 267.306 1.400 0 30 CDAC CC(C)(C)OC(=O)N1CCC([C@@H]2CNC(=O)C2)CC1 95883445 FROYIVDQMKSAJT-NSHDSACASA-N 268.357 1.770 0 30 CDAC NC(=O)[C@@H]1CCCN(c2ccc(Br)cn2)C1 42356593 XSJQEYPKQQIPAU-MRVPVSSYSA-N 284.157 1.546 0 30 CDAC COC(=O)c1c(Br)ccc2c1OCO2 199172218 ZKKRHLPBIKPKAL-UHFFFAOYSA-N 259.055 1.964 0 30 CDAC Cc1ccc(C[C@@H](CN)CO)cc1Br 107496822 FYWBDJKLELUPOO-JTQLQIEISA-N 258.159 1.867 0 30 CDAC CC(C)C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)CC(=O)O 33976510 OIUMNIIWGQOQAH-CMPLNLGQSA-N 272.389 1.613 0 30 CDAC COC(=O)Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 95752004 NLNHCYPJGQABTC-UHFFFAOYSA-N 294.332 1.144 0 30 CDAC O[C@@]1(C(F)(F)F)CC(c2ccc3c(c2)OCCO3)=NN1 114696 VRMGUPJGDSYAON-LLVKDONJSA-N 288.225 1.406 0 30 CDAC O=C(O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 59612871 CORSVESTDJTBDT-GHMZBOCLSA-N 267.256 1.820 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]([C@H]2CCOC2)C1 238833332 APOLPHXZVLQZNU-SRVKXCTJSA-N 271.357 1.641 0 30 CDAC CC(C)(C)OC(=O)NCCCc1c(O)ncnc1O 395150151 YKVZLDJOZFTUKI-UHFFFAOYSA-N 269.301 1.345 0 30 CDAC O=C(OCc1ccccc1)N1CC[C@H]([S@@](=O)O)C1 214520344 JEYSQKSCOCJNGX-NSHDSACASA-N 269.322 1.619 0 30 CDAC COC(=O)[C@@H](N)Cc1csc(Br)c1 259567933 IYPKONHHBJUJIU-LURJTMIESA-N 264.144 1.553 0 30 CDAC CCCC[C@@H](CC)CC1(C)C(=O)NC(=O)NC1=O 1843987 JGUVWCOXXGNIJL-SECBINFHSA-N 254.330 1.965 0 30 CDAC O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccnc1 3096439 MEGKOTWHALFPHX-LUTQBAROSA-N 258.277 1.543 0 30 CDAC Cn1c(B(O)OC(C)(C)C(C)(C)O)cc2ccccc21 604970842 WETJEIXOVKBTLX-UHFFFAOYSA-N 275.157 1.432 0 30 CDAC O=C(Cn1c(=O)oc2cccnc21)Nc1ccccc1 127071 FESCNRWUJXDQNM-UHFFFAOYSA-N 269.260 1.628 0 30 CDAC CC(C)SC(C[C@H](O)[C@@H](O)CO)SC(C)C 1676426 IRUFIBUNWDMBNL-UWVGGRQHSA-N 268.444 1.700 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@]2(C1)NCCc1nc[nH]c12 258634853 SYPPZHWZYJYVER-CQSZACIVSA-N 278.356 1.392 0 30 CDAC CCOC(=O)c1ccc2c(c1)Nc1c(c(=O)c1=O)N2 4347913 MCAOLMXRCRIXQL-UHFFFAOYSA-N 258.233 1.260 0 30 CDAC CC(C)(C)OC(=O)N1CCC2(CC1)CNC[C@@H]2C(=O)O 382677317 XPGMCVMRSSCCPJ-SNVBAGLBSA-N 284.356 1.308 0 30 CDAC COC1=CC(=O)O[C@@H]1[C@@H](O)c1ccccc1Cl 1851384 ICDNYWJQGWNLFP-RYUDHWBXSA-N 254.669 1.829 0 30 CDAC investigational COCCOCCOCCOc1cccc(CO)c1 126095206 KECMFAIRSUVGKR-UHFFFAOYSA-N 270.325 1.237 0 30 CDAC CC(C)C[C@H](CNC(=O)[C@@H]1CCCCN1)CC(=O)O 34003245 YIBJJADESILGNG-RYUDHWBXSA-N 270.373 1.382 0 30 CDAC CO[C@@]1(c2nnc(Br)s2)CCOC1 306867735 PXOMLKFIXVINFK-ZETCQYMHSA-N 265.132 1.563 0 30 CDAC CSc1ncc(Br)c(CNC=O)n1 2265351246 OEHIPERMXHTNDS-UHFFFAOYSA-N 262.132 1.207 0 30 CDAC CC(C)(C)OC(=O)N1CCC(N2CC(CN)C2)CC1 39952028 GXTAKFVADADNOA-UHFFFAOYSA-N 269.389 1.276 0 30 CDAC CCOC(=O)[C@@H]1[C@H]2CNC[C@H](C2)N1C(=O)OC(C)(C)C 238797207 IMALXXQBKVAKSL-VWYCJHECSA-N 284.356 1.147 0 30 CDAC CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)C(=O)O 146499956 WGHGBLXJADIZHC-RKDXNWHRSA-N 259.302 1.222 0 30 CDAC CS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1N 33506684 RVMXXBKHMJQXLJ-UHFFFAOYSA-N 295.114 1.343 0 30 CDAC CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O 5719489 WZPCSVBNEQYORT-UHFFFAOYSA-N 260.293 1.902 0 30 CDAC CC(C)(O)[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O1 13359969 FHCHSXPHLRBEBR-GFCCVEGCSA-N 292.287 1.065 0 30 CDAC endogenous,in-man CC1(C)OC[C@H]([C@H]2CN(Cc3ccccc3)C(=O)CO2)O1 584879952 QVAIWVKRWAEMPF-ZIAGYGMSSA-N 291.347 1.566 0 30 CDAC Cc1c(N(C)C)c(=O)[nH]c(=O)n1C1CCCCC1 3624203 MSDZXGWQPGEHBJ-UHFFFAOYSA-N 251.330 1.416 0 30 CDAC COc1ccc(OC[C@H](O)CNC(=O)C2CCC2)cc1 151555 DPWYKFPMXBRLNX-GFCCVEGCSA-N 279.336 1.351 0 30 CDAC COc1ccc(C[C@H](CN)CO)cc1Br 63065248 KDOUUEQTPBNYQY-SECBINFHSA-N 274.158 1.567 0 30 CDAC Cc1c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cnn1C 44318370 RVMAEAQJLVOSAQ-SNVBAGLBSA-N 283.328 1.249 0 30 CDAC CC(C)(C)OC(=O)NCc1nc(CC(=O)O)cs1 32119898 LFKKRZPPOYGDOB-UHFFFAOYSA-N 272.326 1.795 0 30 CDAC COC(=O)Cn1nnnc1-c1ccccc1Cl 138020273 XEFWUOCVYIHPDD-UHFFFAOYSA-N 252.661 1.167 0 30 CDAC CCOC(=O)C(F)(C(=O)OCC)c1ccccc1 1744251 MJGKXSYZACBTDZ-UHFFFAOYSA-N 254.257 1.978 0 30 CDAC CCOC(=O)C(C)(CCCCCO)C(=O)OCC 126268511 JRAXXDGTWOYGMD-UHFFFAOYSA-N 260.330 1.672 0 30 CDAC CS(=O)(=O)c1cccc(I)c1 5362120 XTSLBDJQPAYELB-UHFFFAOYSA-N 282.102 1.695 0 30 CDAC O=C1NS(=O)(=O)c2cc(C(F)(F)F)ccc21 144468761 TVOMGDRQXXWGBK-UHFFFAOYSA-N 251.185 1.138 0 30 CDAC CC(C)SC(C[C@H](O)[C@H](O)CO)SC(C)C 1676424 IRUFIBUNWDMBNL-VHSXEESVSA-N 268.444 1.700 0 30 CDAC CNCCc1c[nH]c2ccc(Cn3cncn3)cc12 22064247 HTVLSIBBGWEXCH-UHFFFAOYSA-N 255.325 1.570 0 30 CDAC in-vitro COc1cc2c(cc1OC)CN1CC[C@@H](N)C[C@H]1C2 252492500 MNWGSSRBSMFBHW-CHWSQXEVSA-N 262.353 1.552 0 30 CDAC O=C(O)c1cc2cc(S(=O)(=O)O)cc(O)c2cc1O 140246818 ARAKFKZHRGLHMX-UHFFFAOYSA-N 284.245 1.196 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@](O)(C(C)(C)C(=O)O)C1 258670083 VIYYIXBYMDUZGH-ZDUSSCGKSA-N 273.329 1.469 0 30 CDAC COC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)c(OC)c2)C1 675045637 DSDZGDVIEGBTMG-NSHDSACASA-N 293.319 1.225 0 30 CDAC CCOC(=O)[C@H]1NCCc2cc(OC)c(OC)cc21 21998686 XPAWRVKFFVLAKU-ZDUSSCGKSA-N 265.309 1.454 0 30 CDAC Nc1ccc2c([N+](=O)[O-])cccc2c1S(=O)(=O)O 205028145 NNFPDSSHCQQPOC-UHFFFAOYSA-N 268.250 1.577 0 30 CDAC CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](CO)CC[C@@H]21 238114508 DDODHLUDMIVDHJ-VWYCJHECSA-N 257.330 1.536 0 30 CDAC CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1N1CCC(N)CC1 888084700 DMCRIWJAYVYLLO-CHWSQXEVSA-N 283.416 1.855 0 30 CDAC