smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1cc(S(=O)(=O)Cl)c(Br)n1 408717221 XBEPLHRMKUFBOY-UHFFFAOYSA-N 273.539 1.593 70 40 CDIB CN1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2O)CC1 216923428 DDAOKWHYNHFATC-CHWSQXEVSA-N 254.374 1.090 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2ccco2)C1 217550558 ALEFDVAAUKMZJZ-VIFPVBQESA-N 269.322 1.400 70 40 CDIB O=C1COc2ccccc2N1CCCS(=O)(=O)Cl 110752727 OUMOEMWECPKRJR-UHFFFAOYSA-N 289.740 1.371 70 40 CDIB O=S(=O)(Oc1cncc(C(F)(F)F)n1)C(F)(F)F 97950055 NNBACHULEFYFLW-UHFFFAOYSA-N 296.148 1.724 70 40 CDIB COc1cc(NC(C)=O)c(C)cc1S(=O)(=O)Cl 137762746 VXPRCJFLPFRYHP-UHFFFAOYSA-N 277.729 1.890 70 40 CDIB Cn1nc(C(F)(F)F)cc1OS(=O)(=O)C(F)(F)F 116236985 NIBHGLGKFPQEGC-UHFFFAOYSA-N 298.164 1.667 70 40 CDIB COc1ccc(C(=O)N2CCC[C@H](C(=N)N)C2)cc1OC 217359762 BTVWOMAFMCABTG-NSHDSACASA-N 291.351 1.492 70 40 CDIB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1ccccc1 217601703 IRSSBHLNKKUOIJ-UONOGXRCSA-N 291.347 1.408 70 40 CDIB CN1CCC[C@H](C(=O)NCCCN2CCCCCC2)C1 216912498 REPIDEMYNXOEQE-HNNXBMFYSA-N 281.444 1.711 70 40 CDIB COCC(=O)Nc1cc(S(=O)(=O)Cl)ccc1OC 225298462 WCCOIHJFCPYUOI-UHFFFAOYSA-N 293.728 1.208 70 40 CDIB CCn1c(C)nc2ccc(S(=O)(=O)Cl)cc2c1=O 105659375 AYRWSTAYDLENAW-UHFFFAOYSA-N 286.740 1.652 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)C1CCOCC1 218229433 NRPSPEJVBIYLMW-UHFFFAOYSA-N 293.367 1.675 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)cnc1Cl 59530750 HPPMSUMZDZOGEZ-UHFFFAOYSA-N 270.093 1.449 70 40 CDIB Cc1cn2nc(C(=O)Nc3ccccc3)cc2c(=O)[nH]1 217473917 LFCBZJXJQBLCNH-UHFFFAOYSA-N 268.276 1.583 70 40 CDIB CCn1cnc2c(S(=O)(=O)Cl)cccc2c1=O 256055199 ZQMIUFPYZOUIQZ-UHFFFAOYSA-N 272.713 1.344 70 40 CDIB COC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 217994055 VKYBKTUPRKTLQH-WCQYABFASA-N 299.417 1.460 70 40 CDIB O=C(O)c1nccc2c(S(=O)(=O)Cl)cccc12 100646684 DKJJTWRZPRMWKS-UHFFFAOYSA-N 271.681 1.861 70 40 CDIB Cc1cc(C)n(-c2nn3c(C(F)F)nnc3s2)n1 216931322 WUCCJKOWEYETOL-UHFFFAOYSA-N 270.268 1.926 70 40 CDIB CC(=O)N1CCC(c2nnc(-c3cnc(C)nc3)o2)CC1 216637578 FFBGFQIBRWACQA-UHFFFAOYSA-N 287.323 1.561 70 40 CDIB O=C(NCCS(=O)(=O)F)OCc1ccccc1 71329505 BIWLPVXEFSYXMC-UHFFFAOYSA-N 261.274 1.212 70 40 CDIB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)Cl)c1 575440584 UNQFQHIFABCOEG-UHFFFAOYSA-N 297.785 1.006 70 40 CDIB Cc1ccc([C@H]2CN(CCOC(=O)N(C)C)CCO2)o1 159528195 ZJLLRZXJDGNISJ-CYBMUJFWSA-N 282.340 1.660 70 40 CDIB CC(C)(C)c1nsc(N[C@@H]2CCCN(C(N)=O)C2)n1 159762282 GBBLJNCYHBVRKJ-MRVPVSSYSA-N 283.401 1.791 70 40 CDIB O=C(O)CS[C@H](CS(=O)(=O)F)Oc1ccccc1 100932291 PVOOMQYURPBZIO-SNVBAGLBSA-N 294.325 1.509 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2cc(C)on2)C1 217551110 MUOYMLZANOPNPU-VIFPVBQESA-N 284.337 1.104 70 40 CDIB O=S(=O)(Cl)c1cc(Br)ccn1 100051092 IHFLWMCWRPGYNP-UHFFFAOYSA-N 256.508 1.772 70 40 CDIB in-vitro CC(C)NC(=O)COc1ccc(S(=O)(=O)Cl)cc1 110749206 ONVXXNGCVNXQJF-UHFFFAOYSA-N 291.756 1.518 70 40 CDIB NC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl 97952711 DDINGYQBDXKXHT-UHFFFAOYSA-N 284.120 1.132 70 40 CDIB COc1ccccc1CN(C)C(=O)[C@@H]1CCCN(C)C1 216916194 NRGNCXAYGXUMCM-CQSZACIVSA-N 276.380 1.995 70 40 CDIB O=C1CCCC(OS(=O)(=O)C(F)(F)F)=C1F 725239648 ZYVHMULTEAKKMV-UHFFFAOYSA-N 262.180 1.787 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1CCOC1 218233455 SFEYAXWVTWWEHF-LBPRGKRZSA-N 279.340 1.285 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)c(Cl)nc1C 256050489 FFIKSVWLFGTOQC-UHFFFAOYSA-N 284.120 1.758 70 40 CDIB Cc1cccc(Cn2cc([C@H]3SCC(=O)N3C)nn2)c1 216751207 WAKJGGYVZGASQB-CQSZACIVSA-N 288.376 1.839 70 40 CDIB COC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 217982616 QKBQPEDSYAKSIG-CMPLNLGQSA-N 285.390 1.152 70 40 CDIB COC(=O)Cc1ccc(S(=O)(=O)Cl)s1 59261917 ZYFGTPJNAPQGIK-UHFFFAOYSA-N 254.716 1.391 70 40 CDIB O=C(CCl)Nc1ccc(S(=O)(=O)F)cc1 104130173 RRONKMIWYNAXTR-UHFFFAOYSA-N 251.666 1.522 70 40 CDIB Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Cl)c1 100622024 ZJOWCZXFVXWKDQ-UHFFFAOYSA-N 282.770 1.634 70 40 CDIB in-vitro COC(=O)COc1ccc(C)cc1S(=O)(=O)Cl 110749378 PIIZGMAHMLWPCV-UHFFFAOYSA-N 278.713 1.474 70 40 CDIB O=S(=O)(Oc1cccc2cn[nH]c12)C(F)(F)F 49872148 NMNSIXPNRMMDKQ-UHFFFAOYSA-N 266.200 1.791 70 40 CDIB Cc1cc(OCC(=O)O)ccc1S(=O)(=O)Cl 100639311 BNLVNUUAJCOMKE-UHFFFAOYSA-N 264.686 1.386 70 40 CDIB CCOC(=O)C1=C(S(=O)(=O)Cl)CCCC1 100469246 HNDUKOBQKAFGCT-UHFFFAOYSA-N 252.719 1.946 70 40 CDIB O=[N+]([O-])c1cc(OS(=O)(=O)C(F)(F)F)ccc1F 166461806 YUUGRZGSTYCTBE-UHFFFAOYSA-N 289.162 1.962 70 40 CDIB COCCOc1ccccc1S(=O)(=O)Cl 100481793 VMMRLRFODPRYFN-UHFFFAOYSA-N 250.703 1.639 70 40 CDIB in-vitro CCC(=O)N1C[C@H](Oc2ccccc2F)C[C@H]1C(=O)OC 217868714 BOKDVCOQWUNOSP-PWSUYJOCSA-N 295.310 1.757 70 40 CDIB Cn1cccc(C(=O)NCC[C@@H](O)c2ccsc2)c1=O 217526458 WCAAYPWQHCEVCC-GFCCVEGCSA-N 292.360 1.300 70 40 CDIB O=C(NCC[C@H](O)C1CCOCC1)NCc1ccccc1 217928494 VUOXNDXUHAJMHS-HNNXBMFYSA-N 292.379 1.663 70 40 CDIB CN1CCC[C@@H](C(=O)NCCCN2CCCCCC2)C1 216912473 REPIDEMYNXOEQE-OAHLLOKOSA-N 281.444 1.711 70 40 CDIB CCCN1CCC(OS(=O)(=O)C(F)(F)F)CC1 110753638 QJEGKCGOARLGQT-UHFFFAOYSA-N 275.292 1.727 70 40 CDIB C[C@@H](NC(=O)CC(=N)N)c1ccc(Br)cc1 217753915 XOIDFGCERKJGDQ-SSDOTTSWSA-N 284.157 1.952 70 40 CDIB CC(C)CN1CCC(OS(=O)(=O)C(F)(F)F)CC1 110753643 DPWYBNZWZDYLFB-UHFFFAOYSA-N 289.319 1.973 70 40 CDIB Cc1ccc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(N)c1 217779476 HECDBYGUWPUNGG-VXGBXAGGSA-N 262.353 1.756 70 40 CDIB CNC(=O)COc1ccc(S(=O)(=O)Cl)cc1C 100010237 ZMJWEIBSOQWBGG-UHFFFAOYSA-N 277.729 1.047 70 40 CDIB CN1CCC(CC(=O)NCCCN2CCCC2)CC1 216900045 DVMLYVMLRIEDTB-UHFFFAOYSA-N 267.417 1.320 70 40 CDIB COC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 217982693 QKBQPEDSYAKSIG-JQWIXIFHSA-N 285.390 1.152 70 40 CDIB CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)Cl)C1 100165791 GNGWMWXDMXELMT-QMMMGPOBSA-N 283.777 1.955 70 40 CDIB CCCCc1c(S(=O)(=O)Cl)c(C(=O)O)nn1CC 103635752 NIPLSCNIFKKTTI-UHFFFAOYSA-N 294.760 1.871 70 40 CDIB O=C(NCc1ccco1)[C@H]1CC[C@H](Cn2cnnn2)CC1 217960152 JZTQNFPHKLAFGH-TXEJJXNPSA-N 289.339 1.389 70 40 CDIB CS(=O)(=O)NCCn1ccc(-c2ccsc2)n1 217891652 CHXNJNNDHXWBMZ-UHFFFAOYSA-N 271.367 1.161 70 40 CDIB CC(=O)N1CCc2ccc(S(=O)(=O)Cl)cc21 100630461 FTWAILLGJAETPR-UHFFFAOYSA-N 259.714 1.523 70 40 CDIB O=C(CCc1ccccc1)On1nnc2ccccc2c1=O 59364718 VZELLNGPUYTDMW-UHFFFAOYSA-N 295.298 1.380 70 40 CDIB Cc1sc2ncn(CCS(=O)(=O)F)c(=O)c2c1C 96021736 BOLZKOZZBLGOBP-UHFFFAOYSA-N 290.341 1.374 70 40 CDIB CC(=O)Oc1ccc(S(=O)(=O)F)cc1Cl 104157987 NCFUWVZDRFKIEA-UHFFFAOYSA-N 252.650 1.924 70 40 CDIB N=C(N)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 217350494 AHOILWOIDJODEP-UHFFFAOYSA-N 295.408 1.946 70 40 CDIB CC(C)OCc1c(S(=O)(=O)Cl)cnn1CCF 408716677 PQHQPOGTMZXYBI-UHFFFAOYSA-N 284.740 1.705 70 40 CDIB COCCNC(=O)NC[C@@H]1CCCN(c2nccs2)C1 218170056 MOUDPQSWJTUFHZ-NSHDSACASA-N 298.412 1.305 70 40 CDIB COc1cccc(N2CCN(Cc3nncn3C)CC2)c1 160687380 NPLNORAZVFRDOH-UHFFFAOYSA-N 287.367 1.146 70 40 CDIB CC(C)c1cc(OS(=O)(=O)C(F)(F)F)n(C)n1 575421938 DDKWULAULISMFZ-UHFFFAOYSA-N 272.248 1.772 70 40 CDIB CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)Cl)cc1 105900836 CVGMAEBCGFJGSX-UHFFFAOYSA-N 297.785 1.006 70 40 CDIB CCn1c(C)nc2c(S(=O)(=O)Cl)cccc2c1=O 256053102 QAELCHRDTPNQRV-UHFFFAOYSA-N 286.740 1.652 70 40 CDIB CN(C)C(=O)COc1ccc(S(=O)(=O)Cl)cc1 100010262 XSPAOTSDKVMOFZ-UHFFFAOYSA-N 277.729 1.081 70 40 CDIB Cc1cc(O[C@H]2CCN(C(=O)c3ccco3)C2)cc(=O)o1 217770086 ZLHNOKPRKQQUNZ-NSHDSACASA-N 289.287 1.835 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccccn1 218221779 IPSLBMNRHGFHMZ-UHFFFAOYSA-N 286.335 1.957 70 40 CDIB CC(C)N1Cc2ccc(S(=O)(=O)Cl)cc2C1=O 103620013 GSXYTUMWUFYAIG-UHFFFAOYSA-N 273.741 1.978 70 40 CDIB CCN1Cc2ccc(S(=O)(=O)Cl)cc2C1=O 103620009 OBWZFVDZTJJNCL-UHFFFAOYSA-N 259.714 1.590 70 40 CDIB CCCc1nnsc1C(=O)N1CC[C@H](n2ccnn2)C1 217686579 RIDXPJFDHLFJAF-VIFPVBQESA-N 292.368 1.169 70 40 CDIB Cc1cc(N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)ncn1 160478925 UGOIEYRKZQPEMU-QLFBSQMISA-N 290.411 1.863 70 40 CDIB Cc1ccc(C(=O)CCN2CCO[C@@H](CN(C)C)C2)cc1 159468408 PVLVDIAOUJNAOT-INIZCTEOSA-N 290.407 1.830 70 40 CDIB COCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O 59095885 NUUDSNKTGXEATF-UHFFFAOYSA-N 294.712 1.338 70 40 CDIB O=S(=O)(F)CCS(=O)(=O)c1ccc(Cl)cc1 100836651 MMSGXRRNIJSYDT-UHFFFAOYSA-N 286.733 1.413 70 40 CDIB CC(C)OC(=O)[C@](F)(C(F)(F)F)S(=O)(=O)F 100015894 DWZCKAYMMURTLB-RXMQYKEDSA-N 270.175 1.465 70 40 CDIB O=C(NCCc1ccccc1)N1CC[C@H](n2ccnn2)C1 217688275 ALRZDKIHBDGVJM-AWEZNQCLSA-N 285.351 1.477 70 40 CDIB O=C(c1ccccc1F)N1CC[C@@H](n2ccnn2)C1 217685908 LZMCOHHHZNSURT-SNVBAGLBSA-N 260.272 1.504 70 40 CDIB O=C(NC1CCCC1)N1CC(N2C(=O)CSC2=O)C1 217748486 SXXAQINXQCTYOF-UHFFFAOYSA-N 283.353 1.018 70 40 CDIB CCCC(=O)Nc1ncc(S(=O)(=O)Cl)s1 110749477 ACCMCLBATFTVOJ-UHFFFAOYSA-N 268.747 1.809 70 40 CDIB C[C@H]1C[C@H](C)CN(CCCNC(=O)C2CCN(C)CC2)C1 216921861 ARAZXTAVCITRDL-GJZGRUSLSA-N 295.471 1.812 70 40 CDIB C[SiH](C)O[Si](C)(O[SiH](C)C)c1ccccc1 169748466 YTIKDTOMMNVHBW-UHFFFAOYSA-N 270.553 1.966 70 40 CDIB CNC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl 100010199 LELAVBAWEZLZMU-UHFFFAOYSA-N 298.147 1.392 70 40 CDIB COc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1OC 100512593 TWHADRKVBHEANG-UHFFFAOYSA-N 280.685 1.330 70 40 CDIB Cn1c(=O)sc2cc(S(=O)(=O)Cl)ccc21 100018495 LHPLJRSBDAYNOT-UHFFFAOYSA-N 263.727 1.528 70 40 CDIB O=C(O)COc1ccc(S(=O)(=O)Cl)cc1Cl 100608874 AQASVWNEUNDYEA-UHFFFAOYSA-N 285.104 1.731 70 40 CDIB in-vitro CN1CCC(C(=O)NCCSC(C)(C)C)CC1 216920110 SFUWTQRIHZPSOZ-UHFFFAOYSA-N 258.431 1.976 70 40 CDIB CN1CCC[C@@H](C(=O)NCCSCc2ccco2)C1 216907283 YSKPYNSERQMQPR-GFCCVEGCSA-N 282.409 1.971 70 40 CDIB O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)Cl)c1 100586185 HPZPALJUGOSUMI-UHFFFAOYSA-N 264.642 1.011 70 40 CDIB in-vitro COC(=O)C1(c2cccc(S(=O)(=O)Cl)c2)CC1 110753730 KIFLDYACECZJAL-UHFFFAOYSA-N 274.725 1.819 70 40 CDIB O=C(NCC[C@@H](O)C1CCOCC1)c1c(F)cccc1F 217915566 GRBMDDZNYMEJLV-CYBMUJFWSA-N 299.317 1.872 70 40 CDIB O=C(NCCn1ccnc1-c1ccccn1)c1ccco1 217859960 PZARIVCNTJORBF-UHFFFAOYSA-N 282.303 1.968 70 40 CDIB Nc1ncc(C(F)(F)F)cc1S(=O)(=O)Cl 110757553 JWLMWEFKAIEMHS-UHFFFAOYSA-N 260.624 1.610 70 40 CDIB Cc1ccccc1Cc1nnc2sc(NN)nn12 216755369 BRTDYZJZTUYPEO-UHFFFAOYSA-N 260.326 1.371 70 40 CDIB COc1ccc(CN(C)C(=O)C2CCN(C)CC2)cc1 216921409 RAHBCTXWEZZSIX-UHFFFAOYSA-N 276.380 1.995 70 40 CDIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CC1 100509923 BKZWDCYSGUHCAG-UHFFFAOYSA-N 259.714 1.963 70 40 CDIB CCOC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1 103851205 RMXGNRJELOOOAR-UHFFFAOYSA-N 278.713 1.799 70 40 CDIB COC(=O)c1ccc(F)cc1S(=O)(=O)Cl 59306029 TUNCTHJWHJYMPD-UHFFFAOYSA-N 252.650 1.540 70 40 CDIB in-vitro CC(=O)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C 169864348 FDIDKMGFINVLAS-UHFFFAOYSA-N 266.518 1.970 70 40 CDIB O=C(O)CCCOc1ccc(S(=O)(=O)Cl)cc1 100655473 HMAFPYLRKSBCNO-UHFFFAOYSA-N 278.713 1.858 70 40 CDIB CCOCc1c(S(=O)(=O)Cl)cnn1C(C)C 408716810 REPJKGCVNPQYOG-UHFFFAOYSA-N 266.750 1.928 70 40 CDIB CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)Cl)C1 100071033 NTBNFZSSXSSJBA-ZETCQYMHSA-N 269.750 1.564 70 40 CDIB CCCn1nnnc1-c1cccc(S(=O)(=O)Cl)c1 103604092 ARATVBXTQCJOGO-UHFFFAOYSA-N 286.744 1.678 70 40 CDIB O=c1[nH]c2cc(F)c(S(=O)(=O)Cl)cc2o1 105380078 AVWYCZNTEYZBFK-UHFFFAOYSA-N 251.622 1.188 70 40 CDIB in-vitro Cc1c(S(=O)(=O)Cl)cnn1CC(F)(F)F 103671188 RZJDLJLPZIVEMZ-UHFFFAOYSA-N 262.640 1.681 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2cccs2)C1 217551389 LTAHMFCTVSMBTC-VIFPVBQESA-N 285.390 1.869 70 40 CDIB CCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2)nn1 216752867 PXLKQYABNNAWEQ-AWEZNQCLSA-N 288.376 1.920 70 40 CDIB Cc1ccc(-c2cn[nH]c(=O)n2)cc1S(=O)(=O)Cl 104551153 WWUIJLCWQNVXSP-UHFFFAOYSA-N 285.712 1.068 70 40 CDIB O=C([C@H]1COc2ccccc2O1)N1CCc2oncc2C1 217692007 OFBGEJVACIBQAX-CQSZACIVSA-N 286.287 1.399 70 40 CDIB CC(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1 216660223 MJDSGLJXNWSAHQ-NSHDSACASA-N 287.323 1.561 70 40 CDIB Cc1nnsc1C(=O)NCC[C@@H](O)c1ccsc1 217525070 ZOXWHDIMGYGGAZ-SECBINFHSA-N 283.378 1.762 70 40 CDIB CC(=O)Nc1ccc(S(=O)(=O)F)cc1Cl 100224952 AWTMVPSESBZTGK-UHFFFAOYSA-N 251.666 1.957 70 40 CDIB CC(=O)Oc1ccc(C(C)=O)cc1S(=O)(=O)Cl 97956505 UTBYBEBKCHWYFE-UHFFFAOYSA-N 276.697 1.742 70 40 CDIB C[C@H]1CN(C[C@@H]2CCCN2c2ncccn2)C[C@@H](C)O1 160462622 DOGPHANFVICORJ-MJBXVCDLSA-N 276.384 1.555 70 40 CDIB CCCn1nnnc1-c1ccc(S(=O)(=O)Cl)cc1 103604073 LLFWAXAIFVMAGU-UHFFFAOYSA-N 286.744 1.678 70 40 CDIB O=C(/C=C/c1ccoc1)NCC[C@H](O)C1CCOCC1 217921977 KQWZORMZQWGJMZ-YUKKFKLSSA-N 279.336 1.587 70 40 CDIB CCOCc1nn(C(F)F)cc1S(=O)(=O)Cl 408715300 HKIFLKXCEWOSBG-UHFFFAOYSA-N 274.676 1.742 70 40 CDIB CC1CCN(CCCNC(=O)CC2CCN(C)CC2)CC1 216900138 TZXOURQWWJNXDV-UHFFFAOYSA-N 295.471 1.957 70 40 CDIB COc1ccc(-c2nc(C)no2)cc1S(=O)(=O)Cl 59826004 DUWOTZBAPWFHJB-UHFFFAOYSA-N 288.712 1.981 70 40 CDIB Cn1nc(C2CCC2)cc1OS(=O)(=O)C(F)(F)F 575423410 MXZZONHGNAACLI-UHFFFAOYSA-N 284.259 1.916 70 40 CDIB COc1cc(OC)c(S(=O)(=O)Cl)c(OC)c1 59337396 FGJGNZDVLPUDAJ-UHFFFAOYSA-N 266.702 1.640 70 40 CDIB Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1cc(C)on1)C2 161505807 PVBFERFUHKONIR-SECBINFHSA-N 260.297 1.758 70 40 CDIB Cc1noc(C)c1CCNC(=O)Nc1ncco1 159645902 QAWUSGUVECEUOV-UHFFFAOYSA-N 250.258 1.644 70 40 CDIB CN1C(=O)CCc2cc(S(=O)(=O)Cl)ccc21 100154896 UUBUIICTYLAHAN-UHFFFAOYSA-N 259.714 1.523 70 40 CDIB in-vitro CCOC(=O)[C@@H]1C(=O)N[C@]2(C)Oc3ccccc3[C@H]1[C@@H]2C 217506827 ZYFKMXQXXALDPP-IRLPFQOPSA-N 289.331 1.824 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 217551670 NHQXEBMGLZNRCA-ZYOFXKKJSA-N 295.360 1.800 70 40 CDIB COCCNC(=O)Nc1cnn(CC2CCOCC2)c1 218237952 YBSWQAPYQNWJDP-UHFFFAOYSA-N 282.344 1.078 70 40 CDIB Cc1cccc(Cn2cc([C@@H]3SCC(=O)N3C)nn2)c1 216751168 WAKJGGYVZGASQB-AWEZNQCLSA-N 288.376 1.839 70 40 CDIB COc1ccc(NC(=O)c2cc(=O)nc[nH]2)c(OC)c1 217792459 VGYBSXNAUMIEPQ-UHFFFAOYSA-N 275.264 1.039 70 40 CDIB O=C(/C=C/c1ccoc1)NCC[C@@H](O)C1CCOCC1 217922069 KQWZORMZQWGJMZ-VSZDKKFSSA-N 279.336 1.587 70 40 CDIB CC[C@@H](C)NC(=O)Cc1cc(OC)c(OC)cc1N 217670089 DBCXSFCSMAIYDK-SECBINFHSA-N 266.341 1.743 70 40 CDIB COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)Cl)cc2[nH]1 59042060 FPAKSOQSBLHGDU-UHFFFAOYSA-N 289.700 1.091 70 40 CDIB in-vitro O=C1OCCN1c1ccc(S(=O)(=O)Cl)cc1 100639057 JDBPBDWKAGOTFL-UHFFFAOYSA-N 261.686 1.571 70 40 CDIB in-vitro O=C(O)c1cc(S(=O)(=O)Cl)c2ncccc2c1 100647220 VTWHRNQHOANPEO-UHFFFAOYSA-N 271.681 1.861 70 40 CDIB NC(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl 110167136 LYFDCBNNLXNVFA-UHFFFAOYSA-N 269.109 1.758 70 40 CDIB O=c1c2cccc(S(=O)(=O)Cl)c2nc2n1CCC2 256051220 IGMRHEUECIAWPM-UHFFFAOYSA-N 284.724 1.270 70 40 CDIB O=C1[C@@H]2[C@@H]3C[C@@H](c4ccccc43)[C@H]2N1S(=O)(=O)Cl 104157960 RZNYNEXRQZESHS-LMLFDSFASA-N 283.736 1.582 70 40 CDIB CCn1nnnc1-c1ccc(S(=O)(=O)Cl)cc1 103604066 ZVRDJWKUBSLMFY-UHFFFAOYSA-N 272.717 1.288 70 40 CDIB COc1ccccc1NC(=O)N1CC[C@H](n2ccnn2)C1 217689244 JJFNJAFUNZEXGF-NSHDSACASA-N 287.323 1.766 70 40 CDIB CCCn1cnc2c(S(=O)(=O)Cl)cccc2c1=O 256049752 BGVHUZWOSKKQDI-UHFFFAOYSA-N 286.740 1.734 70 40 CDIB CC(C)c1nsc(N2CCC[C@H]2CN2CCOCC2)n1 160387606 XEXZPWKTZWWABQ-LBPRGKRZSA-N 296.440 1.963 70 40 CDIB CC[C@H](C)n1cc(S(=O)(=O)Cl)c(COC)n1 408715179 DDGLGDGXRQFUQX-ZETCQYMHSA-N 266.750 1.928 70 40 CDIB Cc1csc(CN2CCOC[C@H]2c2nc(C)no2)n1 160934322 GCZVHWVMFBDNMZ-JTQLQIEISA-N 280.353 1.716 70 40 CDIB COC[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 159541701 KHQYRFMWRNDQGS-VIFPVBQESA-N 268.263 1.932 70 40 CDIB O=C(Nc1ccccc1F)N1CC[C@@H](n2ccnn2)C1 217689507 SVRNKQXJAGUJMV-SNVBAGLBSA-N 275.287 1.896 70 40 CDIB CCOCC(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1 103710459 MNSJXKQXWZJURV-UHFFFAOYSA-N 298.773 1.354 70 40 CDIB COc1ccc(C(=O)N2CCC(C(=N)N)CC2)cc1 217356179 QDTKJISXGHLGFB-UHFFFAOYSA-N 261.325 1.483 70 40 CDIB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1 103604126 GSGFLEOVJMTRPF-UHFFFAOYSA-N 277.729 1.372 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)n(C(C)C)n1 100804953 OKBFFWNUVNLQGB-UHFFFAOYSA-N 266.706 1.178 70 40 CDIB CC1(C)Oc2cc(S(=O)(=O)Cl)ccc2NC1=O 100908519 KIMIACZKDLIWRL-UHFFFAOYSA-N 275.713 1.724 70 40 CDIB O=S(=O)(Cl)c1ccc(N2CCOCC2)cc1 103633064 FPJABYRHGJABIZ-UHFFFAOYSA-N 261.730 1.451 70 40 CDIB COc1cc(N)c(CC(=O)OC(C)C)cc1OC 217675241 UYVWDAMJVRDDDK-UHFFFAOYSA-N 253.298 1.780 70 40 CDIB CC(C)C(=O)Nc1ncc(S(=O)(=O)Cl)s1 100634606 PZXAQCYNOMYRLQ-UHFFFAOYSA-N 268.747 1.665 70 40 CDIB CCN1C(=O)C(=O)c2cc(S(=O)(=O)Cl)ccc21 218745983 ZMIZUURXPJVWNC-UHFFFAOYSA-N 273.697 1.163 70 40 CDIB O=C(CCl)Nc1cccc(S(=O)(=O)F)c1 100369430 KQSHMTAZDJGFQB-UHFFFAOYSA-N 251.666 1.522 70 40 CDIB C[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2o1 217996091 HRNKFTSBJWTYLJ-GFCCVEGCSA-N 269.322 1.190 70 40 CDIB Cc1noc(-c2cn(CCNC(=O)c3ccccc3)nn2)n1 217466455 ZCERUSFOPIZOAG-UHFFFAOYSA-N 298.306 1.067 70 40 CDIB Cc1cc(C(=O)O)c(O)c(S(=O)(=O)Cl)c1 100504099 IOIVRGPONCBMQY-UHFFFAOYSA-N 250.659 1.326 70 40 CDIB CCN1CCC(OS(=O)(=O)C(F)(F)F)CC1 110753628 NBYSMJDPOCIAGV-UHFFFAOYSA-N 261.265 1.337 70 40 CDIB COc1ccc([C@H](C)NC(=O)CC(=N)N)cc1OC 217754383 CXUQONGPULHSQK-QMMMGPOBSA-N 265.313 1.207 70 40 CDIB CCOC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1 59262070 MHWWIBUTBWNCAQ-UHFFFAOYSA-N 266.677 1.930 70 40 CDIB in-vitro O=C(COc1ccccc1F)N1CCc2oncc2C1 217691805 ZWVAMUNAKNFVSX-UHFFFAOYSA-N 276.267 1.777 70 40 CDIB CC(C)N1CCC(OS(=O)(=O)C(F)(F)F)CC1 110753633 DUMUGKJLZDGAIS-UHFFFAOYSA-N 275.292 1.725 70 40 CDIB O=C(Nc1ncc(S(=O)(=O)Cl)s1)C1CCC1 110749465 ZQWYSDJAMUNGRO-UHFFFAOYSA-N 280.758 1.809 70 40 CDIB COc1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-] 100447729 PCZLTYVOXRKVCM-UHFFFAOYSA-N 251.647 1.531 70 40 CDIB in-vitro COc1ccc(S(=O)(=O)Cl)cc1CNC(C)=O 100027130 JCVGQANZZKTNPD-UHFFFAOYSA-N 277.729 1.259 70 40 CDIB Cc1nc(N2CCCC2)nc(C)c1S(=O)(=O)Cl 100860007 DHRLTKMSUMZHRU-UHFFFAOYSA-N 275.761 1.621 70 40 CDIB CN1CCC(CC(=O)NCCCn2ccnc2)CC1 216897651 MAQRNLZOAOGYOV-UHFFFAOYSA-N 264.373 1.121 70 40 CDIB CS(=O)(=O)N(CC(=N)N)Cc1ccc(Cl)cc1 217757878 AUEHLYISKLIMCV-UHFFFAOYSA-N 275.761 1.038 70 40 CDIB Cc1cc(C(=O)Nc2cnn(CC3CCOCC3)c2)no1 218221467 NDXVKALQBRKHPC-UHFFFAOYSA-N 290.323 1.858 70 40 CDIB CCCOCc1c(S(=O)(=O)Cl)cnn1CCF 408716214 KBCDFHTVMULCKF-UHFFFAOYSA-N 284.740 1.707 70 40 CDIB CC(=O)N1CCC[C@@H](c2nnc(-c3cnc(C)nc3)o2)C1 216658006 XHPBINPGLWADDK-LLVKDONJSA-N 287.323 1.561 70 40 CDIB O=C1CCc2cc(S(=O)(=O)Cl)c(F)cc2N1 59266873 JAVJJVPJXZDEIC-UHFFFAOYSA-N 263.677 1.638 70 40 CDIB in-vitro Cc1nn(CC(F)(F)F)cc1S(=O)(=O)Cl 100415102 IPWQCJLRULOYCW-UHFFFAOYSA-N 262.640 1.681 70 40 CDIB CC(C)(C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 217675240 MVKURLHPYFDYGE-FGWVZKOKSA-N 288.413 1.104 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)CC(C)(C)C)C1 217550671 HWATWEJVSNLXTB-JTQLQIEISA-N 273.398 1.930 70 40 CDIB COc1ccccc1OCC(=O)N1CCc2oncc2C1 217692295 YJVTWBLPAURWGY-UHFFFAOYSA-N 288.303 1.647 70 40 CDIB O=S(=O)(Cl)N1CCC(OC(F)(F)F)CC1 97950051 DRQPABANSFDIEO-UHFFFAOYSA-N 267.656 1.471 70 40 CDIB COc1ccc(S(=O)(=O)Nc2nncs2)cc1F 160584233 ARVLGSXGVCFKCN-UHFFFAOYSA-N 289.313 1.487 70 40 CDIB COCCNC(=O)NCC[C@H](O)c1ccsc1 217544434 KHGVUGLBTQZPDT-JTQLQIEISA-N 258.343 1.117 70 40 CDIB CC(=O)N1CCCc2ccc(S(=O)(=O)Cl)cc21 100634201 BNTAJXLAMIAZOY-UHFFFAOYSA-N 273.741 1.913 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccncc1 218221348 CJOJESIFLPAAOS-UHFFFAOYSA-N 286.335 1.957 70 40 CDIB O=C(Cn1cccn1)Nc1cnn(CC2CCOCC2)c1 218224474 CLPGZHDJCLUSRO-UHFFFAOYSA-N 289.339 1.145 70 40 CDIB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Cl)s1 103987813 DNNSHZZMKXSRJH-UHFFFAOYSA-N 283.762 1.450 70 40 CDIB O=S(=O)(Cl)c1ccc2c(c1)OC(F)(F)O2 103538534 SRKKEBOPDXVTLV-UHFFFAOYSA-N 256.613 1.936 70 40 CDIB O=[N+]([O-])c1cccc(F)c1CS(=O)(=O)Cl 110768978 WOAZFACUSFWBKC-UHFFFAOYSA-N 253.638 1.803 70 40 CDIB CCCn1cc(S(=O)(=O)Cl)c(COC)n1 408715619 XKPUGAYPDBYOCS-UHFFFAOYSA-N 252.723 1.367 70 40 CDIB Cc1cc(C)nc(NCC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)n1 218218856 BCFLKCXIGKONEL-HZSPNIEDSA-N 286.379 1.834 70 40 CDIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)C1CC1 218110652 WAORCDCKMONEBO-JTQLQIEISA-N 265.382 1.886 70 40 CDIB CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cl 642882523 HGLRMUKBRQXISA-QMMMGPOBSA-N 252.719 1.597 70 40 CDIB CCn1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1 100804907 FYMRKWVJFUASFG-UHFFFAOYSA-N 262.640 1.849 70 40 CDIB CCc1nsc(N2CCC[C@@H]2CN2CCOCC2)n1 160403239 GEAFTCLNNQUNIV-LLVKDONJSA-N 282.413 1.402 70 40 CDIB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Cl)ccc21 100061231 RTVDERAQXGLHFG-UHFFFAOYSA-N 273.741 1.868 70 40 CDIB Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cnoc1C)C3 217711903 OVZNYLWWCCRGDD-UHFFFAOYSA-N 297.318 1.533 70 40 CDIB Cc1noc(C)c1C(=O)NCC[C@H](O)C1CCOCC1 217922360 IQTBMVIJOQJXLH-LBPRGKRZSA-N 282.340 1.199 70 40 CDIB CCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1F 100857854 QCFLFKYNPJARAA-UHFFFAOYSA-N 296.703 1.695 70 40 CDIB O=c1c2ccc(S(=O)(=O)Cl)cc2nc2n1CCC2 256052661 OFAUBBMZZGOJJB-UHFFFAOYSA-N 284.724 1.270 70 40 CDIB Cn1cccc1[C@@H](O)CCNC(=O)[C@H]1CC=CCC1 217937850 NXIKQKVWWDJEAH-JSGCOSHPSA-N 262.353 1.921 70 40 CDIB N#Cc1cnn(-c2ccc(S(=O)(=O)Cl)cc2)c1 103695514 YPMKQIOKLNACNK-UHFFFAOYSA-N 267.697 1.671 70 40 CDIB O=C(C1CCC1)N1CC[C@H](N2C(=O)CSC2=O)C1 217780464 QMSVUSHSOOQWRX-VIFPVBQESA-N 268.338 1.083 70 40 CDIB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Cl)OCCO2 100602489 DQQWYGCFFDQYBR-UHFFFAOYSA-N 279.657 1.294 70 40 CDIB N=C(N)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 217750337 NWPXRLODTTVLTO-UHFFFAOYSA-N 280.759 1.315 70 40 CDIB [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@H]1O 79129169 SFOSXCMICRJFFG-SNVBAGLBSA-N 270.697 1.314 70 40 CDIB CNC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F 108311121 YTWUOSXVNCPYRO-UHFFFAOYSA-N 269.656 1.252 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 217558284 HLYBBBJNOKKHBK-NWDGAFQWSA-N 283.393 1.850 70 40 CDIB COc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1 216847254 YMXGNJQHLHDRFO-UHFFFAOYSA-N 299.378 1.981 70 40 CDIB COc1ccc(CCS(=O)(=O)Cl)cc1OC 100647160 LLDZMFLPQZIVSU-UHFFFAOYSA-N 264.730 1.815 70 40 CDIB Cc1ncncc1-c1nnc([C@@H]2CCCN(C=O)C2)o1 216664470 YBDMPPDULYYLKS-SNVBAGLBSA-N 273.296 1.171 70 40 CDIB CCOCC(=O)NC[C@H]1CCCN(c2nccs2)C1 218111603 RNYNAVJHNIZLIK-LLVKDONJSA-N 283.397 1.512 70 40 CDIB Cc1c(S(=O)(=O)Cl)c(C(=O)O)nn1C(C)C 103635594 KBJPJZATRLBGMR-UHFFFAOYSA-N 266.706 1.398 70 40 CDIB O=S(=O)(c1ccccc1Cl)N1CC(n2ccnn2)C1 217714033 IKZVMZOQBIMJIX-UHFFFAOYSA-N 298.755 1.177 70 40 CDIB CCOc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 110764601 VGQXXOSANYJPNH-UHFFFAOYSA-N 265.674 1.921 70 40 CDIB Cc1nc(NC(=O)C(C)C)sc1S(=O)(=O)Cl 103603680 BFBWQBDFUPGAGU-UHFFFAOYSA-N 282.774 1.974 70 40 CDIB O=C(c1cccc(S(=O)(=O)Cl)c1)N1CCCC1 100577048 FMDOFNIMTNIYRD-UHFFFAOYSA-N 273.741 1.850 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 217558448 HLYBBBJNOKKHBK-VXGBXAGGSA-N 283.393 1.850 70 40 CDIB Nc1[nH]nc(-c2ccccc2)c1CC(=O)N1CCOCC1 217815557 UYBDJZSXAJQWQF-UHFFFAOYSA-N 286.335 1.060 70 40 CDIB CCOC(=O)c1ccc(CS(=O)(=O)Cl)cc1 100656118 QIYYMJAPJWLWKV-UHFFFAOYSA-N 262.714 1.932 70 40 CDIB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(C)C2)C1 216912383 SFSMMQCVGZEYTF-BZUAXINKSA-N 295.471 1.812 70 40 CDIB CN1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 216920966 XKXHAKQIKANZRB-UHFFFAOYSA-N 273.336 1.314 70 40 CDIB O=C1C[C@H](O)Oc2cc(OCCCCl)ccc21 34508373 QQCNABFQXYBSGX-GFCCVEGCSA-N 256.685 1.978 70 40 CDIB COc1ccc(-c2noc(C)n2)cc1S(=O)(=O)Cl 59826048 ABIBVKCQHNHVPN-UHFFFAOYSA-N 288.712 1.981 70 40 CDIB Cc1cc(N2CCC[C@@H]2CN2CCOCC2)ncn1 160400291 CLPYXGCTDFDVPG-CYBMUJFWSA-N 262.357 1.086 70 40 CDIB O=C(O)[C@H]1COc2ccc(S(=O)(=O)Cl)cc2C1 100536613 ZIMPRNQMDJRHDU-SSDOTTSWSA-N 276.697 1.250 70 40 CDIB O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1CF 103701278 RQIUXRPLXXNKKI-UHFFFAOYSA-N 253.638 1.992 70 40 CDIB CCN(C)C(=O)c1cccc(S(=O)(=O)Cl)c1 59164364 AYZUWIRFSHMXDT-UHFFFAOYSA-N 261.730 1.706 70 40 CDIB in-vitro COC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 217982841 QKBQPEDSYAKSIG-PWSUYJOCSA-N 285.390 1.152 70 40 CDIB CN1C(=O)COc2cc(S(=O)(=O)Cl)c(Cl)cc21 110766375 SPJUKDGVASOJEW-UHFFFAOYSA-N 296.131 1.623 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)c2ncccc2c1 100647225 ZHMQQKGOCCKXKX-UHFFFAOYSA-N 285.708 1.949 70 40 CDIB O=C(NCC[C@H](O)c1ccsc1)C(=O)NC1CCCC1 217540496 CJNXRDWGFZWIJG-LBPRGKRZSA-N 296.392 1.347 70 40 CDIB F[B-](F)(F)c1ccc(CN2CCOCC2)s1 216313048 LIQAGNCZJYRQHL-UHFFFAOYSA-N 250.074 1.635 70 40 CDIB Cc1c(S(=O)(=O)Cl)c(C(=O)O)nn1CC(C)C 103635618 YTMDKFMKXABBCB-UHFFFAOYSA-N 280.733 1.473 70 40 CDIB Cn1cccc(C(=O)Nc2ccn3nccc3c2)c1=O 217951771 XZXUPPPUIYSIKI-UHFFFAOYSA-N 268.276 1.285 70 40 CDIB CC(C)CN(CC(=N)N)S(=O)(=O)c1ccccc1 217350272 VVTGOSSRNJNWOP-UHFFFAOYSA-N 269.370 1.269 70 40 CDIB COc1ccc(C(=O)N2CCC[C@@H](C(=N)N)C2)cc1OC 217359669 BTVWOMAFMCABTG-LLVKDONJSA-N 291.351 1.492 70 40 CDIB Cc1cc(S(=O)(=O)N2CCc3oncc3C2)ccc1F 217694525 VPEPXVPBSOXENN-UHFFFAOYSA-N 296.323 1.869 70 40 CDIB COc1ccc(CCNC(=O)OC(C)(C)C)nn1 217569760 YMRXXEVOUDRRSM-UHFFFAOYSA-N 253.302 1.552 70 40 CDIB O=C(NC[C@H]1CCCN(c2nccs2)C1)C1CC1 218110573 WAORCDCKMONEBO-SNVBAGLBSA-N 265.382 1.886 70 40 CDIB COCc1nn(CC(C)C)cc1S(=O)(=O)Cl 408715327 IYVQAMGFUVEMLI-UHFFFAOYSA-N 266.750 1.613 70 40 CDIB Cc1cc(OC2CN(C(=O)c3ccco3)C2)cc(=O)n1C 217754430 BLJCEIBPRNIVPL-UHFFFAOYSA-N 288.303 1.190 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2c(C)noc2C)C1 217563533 ILAIHKRWZXPTQU-JTQLQIEISA-N 298.364 1.412 70 40 CDIB CC(=O)NCCc1ccc(S(=O)(=O)Cl)s1 100578620 LLOAGGVBAJUORI-UHFFFAOYSA-N 267.759 1.354 70 40 CDIB in-vitro O=C(O)COc1ccc(S(=O)(=O)Cl)cc1F 100610409 HYCOQXUHGCEQKB-UHFFFAOYSA-N 268.649 1.217 70 40 CDIB in-vitro Cc1c(S(=O)(=O)Cl)c(Br)nn1C 212708807 PQOGBJMHAKVEMO-UHFFFAOYSA-N 273.539 1.419 70 40 CDIB Cc1nc2ccc(NC(=O)NCCO)cc2nc1C 217302114 PYFXIQCXKLZXBS-UHFFFAOYSA-N 260.297 1.360 70 40 CDIB CN1CCC[C@H](C(=O)N2CC(=O)Nc3ccccc32)C1 216909853 ZHEPTZGPBWQTEF-NSHDSACASA-N 273.336 1.314 70 40 CDIB CC(C)CNC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 217961322 FBMIYOMULVLPHB-TXEJJXNPSA-N 265.361 1.252 70 40 CDIB CCN(CC(=N)N)S(=O)(=O)c1ccc(Cl)cc1 217758099 LMQLHHYLUGWUCR-UHFFFAOYSA-N 275.761 1.287 70 40 CDIB Cc1cc(C(=O)NCC[C@H](O)C2CCOCC2)c(C)o1 217913607 GVMVCDVYKHUEAO-AWEZNQCLSA-N 281.352 1.804 70 40 CDIB COC(=O)COc1ccc(S(=O)(=O)Cl)cc1F 100857852 ALKOTPGYOXHJTJ-UHFFFAOYSA-N 282.676 1.305 70 40 CDIB CS(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217819477 VNGYRRMGEZHYOM-VIFPVBQESA-N 285.369 1.161 70 40 CDIB CC(=O)N1CCC(c2nnc(-c3cncnc3C)o2)CC1 216638913 IBCJWBFPAPEVAI-UHFFFAOYSA-N 287.323 1.561 70 40 CDIB COc1ccc(-n2nnc(N)c2C(F)(F)F)cc1 218690154 SNBCOEIUIFGTHE-UHFFFAOYSA-N 258.203 1.877 70 40 CDIB COCCN(Cc1ccccc1)S(=O)(=O)Cl 100502628 KVOZRCRFOPSCDA-UHFFFAOYSA-N 263.746 1.619 70 40 CDIB CC[C@H](C)OCc1nn(C)cc1S(=O)(=O)Cl 408715506 UHFUIVVEYXNZIW-ZETCQYMHSA-N 266.750 1.663 70 40 CDIB CCCN1C(=O)C(=O)c2cc(S(=O)(=O)Cl)ccc21 218746123 BFZYXKUFKBGTOP-UHFFFAOYSA-N 287.724 1.553 70 40 CDIB CC(C)(C)C(=O)N1[C@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 217759557 DIZLXMIDEXLSPN-QWRGUYRKSA-N 292.379 1.704 70 40 CDIB C[S@@](=O)c1nncn1-c1nc(C(C)(C)C)ns1 159445228 IBXJQFZMNWLSCK-KRWDZBQOSA-N 271.371 1.154 70 40 CDIB COC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 217982767 QKBQPEDSYAKSIG-ZYHUDNBSSA-N 285.390 1.152 70 40 CDIB Cc1noc(C)c1CCC(=O)N1CCc2oncc2C1 217693200 IUWXAVFTQXEOKA-UHFFFAOYSA-N 275.308 1.797 70 40 CDIB O=C(OCCBr)OCCBr 113499835 FXFQFAMLIKBWTL-UHFFFAOYSA-N 275.924 1.929 70 40 CDIB COC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(C)cc1 217994217 VKYBKTUPRKTLQH-DGCLKSJQSA-N 299.417 1.460 70 40 CDIB CC(=O)N1CCc2ccc(S(=O)(=O)Cl)cc2C1 100096541 MULMLDROTQLKML-UHFFFAOYSA-N 273.741 1.519 70 40 CDIB CC(=O)Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-] 100224922 NPBDDLAQXRPFPE-UHFFFAOYSA-N 262.218 1.211 70 40 CDIB CCCOCc1nn(CC)cc1S(=O)(=O)Cl 408715481 SAPZOJCINNTCMN-UHFFFAOYSA-N 266.750 1.757 70 40 CDIB COc1ccc(-c2csc(NS(C)(=O)=O)n2)cc1N 217690020 OIORLCBVQGYJOV-UHFFFAOYSA-N 299.377 1.772 70 40 CDIB O=S(=O)(OC1=CCC2(CC1)OCCO2)C(F)(F)F 100029801 NOLMGELTBIIGOL-UHFFFAOYSA-N 288.243 1.664 70 40 CDIB Cc1ccc(-c2nnn[nH]2)cc1S(=O)(=O)Cl 105379938 HQFAOIYKEMKFRX-UHFFFAOYSA-N 258.690 1.103 70 40 CDIB O=C1CCCc2cc(S(=O)(=O)Cl)ccc2N1 60021434 QCHLNSXHASMIBN-UHFFFAOYSA-N 259.714 1.889 70 40 CDIB NC(=O)c1sc(N2CCCC2)nc1C(F)(F)F 218732136 XIYUFZSRGHMCLK-UHFFFAOYSA-N 265.260 1.861 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccccc2F)C1 217551851 ZCXLDCJOXYKAAV-SNVBAGLBSA-N 297.351 1.946 70 40 CDIB O=S1(=O)CC[C@H](c2ccc(S(=O)(=O)Cl)cc2)C1 219296746 BEKFAJKHSRHEHU-VIFPVBQESA-N 294.781 1.516 70 40 CDIB CCC(=O)Nc1cc(S(=O)(=O)Cl)ccc1OC 59095507 IKWSFVALCWWHBY-UHFFFAOYSA-N 277.729 1.971 70 40 CDIB Cc1cc(C(=O)NCC[C@@H](O)C2CCOCC2)c(C)o1 217913669 GVMVCDVYKHUEAO-CQSZACIVSA-N 281.352 1.804 70 40 CDIB CC(C)(C)OC(=O)N1CC(F)(CS(=O)(=O)Cl)C1 238853076 IGVVFNVHERMBNK-UHFFFAOYSA-N 287.740 1.514 70 40 CDIB O=S(=O)(Cl)c1ccc(C2OCCO2)s1 100032248 FXLSSUOFGGIMFF-UHFFFAOYSA-N 254.716 1.721 70 40 CDIB O=C(O)[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 106977849 YLDSIFMBUXXODJ-MRVPVSSYSA-N 260.698 1.414 70 40 CDIB CCc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1 217713705 NEAXLQHMAOAACM-UHFFFAOYSA-N 292.364 1.086 70 40 CDIB CN(C)C(=O)Cc1c(-c2cccs2)n[nH]c1N 217815826 UOVSOOMQYQUEJF-UHFFFAOYSA-N 250.327 1.351 70 40 CDIB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 217427537 WCFFSIHYUQAEPU-QZDOHJIMSA-N 299.282 1.248 70 40 CDIB CC(C)[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C(=O)N1 103704930 QWUZWAIMLMVWOP-NSHDSACASA-N 287.768 1.925 70 40 CDIB CCC(=O)NCc1cc(S(=O)(=O)Cl)ccc1OC 59108567 AMGXQCTXHYOHHW-UHFFFAOYSA-N 291.756 1.649 70 40 CDIB in-vitro O=C(c1cccnc1S(=O)(=O)Cl)N1CCCC1 218805005 IUQLTTPWYIRRTO-UHFFFAOYSA-N 274.729 1.245 70 40 CDIB Cc1ccccc1Cn1cc([C@@H]2SCC(=O)N2C)nn1 216751055 QQYKTWMHCGBPKF-AWEZNQCLSA-N 288.376 1.839 70 40 CDIB O=S(=O)(NCC[C@H](O)c1ccsc1)c1cccnc1 217534851 RMOPUHBZMDRYLX-LBPRGKRZSA-N 298.389 1.545 70 40 CDIB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Cl)c1 100434431 OLELLCDSABPKEP-UHFFFAOYSA-N 292.696 1.187 70 40 CDIB CCOc1ccc(S(=O)(=O)Cl)cc1NC(N)=O 95698243 SEFVUUPIVDRYNY-UHFFFAOYSA-N 278.717 1.503 70 40 CDIB CC[SiH]1O[SiH](CC)O[SiH](CC)O[SiH](CC)O1 195789820 KOJCPAMHGPVAEW-UHFFFAOYSA-N 296.620 1.028 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 217563621 ILAIHKRWZXPTQU-SNVBAGLBSA-N 298.364 1.412 70 40 CDIB CCOc1ccc(S(=O)(=O)F)cc1NC(C)=O 104256082 BIONMLKCMKFSEH-UHFFFAOYSA-N 261.274 1.702 70 40 CDIB CCOCc1c(S(=O)(=O)Cl)cnn1CCF 408717337 YOVWEPPJGQVPKW-UHFFFAOYSA-N 270.713 1.317 70 40 CDIB COC(=O)c1[nH]nc(C(F)(F)F)c1C(=O)OC 217768773 ISKZBNBGXCJGIQ-UHFFFAOYSA-N 252.148 1.002 70 40 CDIB Cc1c(S(=O)(=O)Cl)cnn1-c1ccccn1 100640769 PZCFGABYLJCQNF-UHFFFAOYSA-N 257.702 1.503 70 40 CDIB COC(=O)c1cc(C)c(F)c(S(=O)(=O)Cl)c1 108298110 LLDDDJIXVHWWOT-UHFFFAOYSA-N 266.677 1.848 70 40 CDIB COCc1nn(C(F)F)cc1S(=O)(=O)Cl 408715359 KWMUZJWBHMRLJO-UHFFFAOYSA-N 260.649 1.352 70 40 CDIB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)C1CC1 217759164 XTVZZSBMAQAQDZ-FOSCPWQOSA-N 276.336 1.067 70 40 CDIB CCS(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217996395 FNLKRAXZZGBAIW-CYBMUJFWSA-N 283.349 1.580 70 40 CDIB Cn1cc(S(=O)(=O)Cl)c(COCC(F)(F)F)n1 408716458 NFSCWKKBKGMTFM-UHFFFAOYSA-N 292.666 1.427 70 40 CDIB COC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1 59530745 IFEXOLHQPSGXKP-UHFFFAOYSA-N 278.713 1.556 70 40 CDIB COCC(=O)N1CCC2(CC1)OC(=O)c1ccccc12 217518608 OHCZVRRFHWULRY-UHFFFAOYSA-N 275.304 1.321 70 40 CDIB O=S(=O)(OC1CCSCC1)C(F)(F)F 110753607 AOMAWDKAXCSWKA-UHFFFAOYSA-N 250.263 1.748 70 40 CDIB O=C(c1ccoc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 217786405 ZUTRZUPKIKVBIA-SECBINFHSA-N 280.305 1.190 70 40 CDIB CCOCc1c(S(=O)(=O)Cl)cnn1CC 408717160 WLBLYNVGYDTDLY-UHFFFAOYSA-N 252.723 1.367 70 40 CDIB NS(=O)(=O)c1ccccc1CBr 34528952 SHDFJDMGZGXKHR-UHFFFAOYSA-N 250.117 1.229 70 40 CDIB CCCn1cc(S(=O)(=O)Cl)c(Br)n1 408715925 GVMLLAQEQLXUTP-UHFFFAOYSA-N 287.566 1.983 70 40 CDIB O=C([C@H]1CCCO1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 160969603 PQYNXQXQGUJXAK-CAOSSQGBSA-N 290.407 1.522 70 40 CDIB O=C(NCC[C@H](O)C1CCOCC1)NC1CCCCC1 217928295 FHBOQDFJWNYKQT-AWEZNQCLSA-N 284.400 1.796 70 40 CDIB CC(C)(C)n1cc(S(=O)(=O)Cl)cc1C(=O)O 257197844 KRSSCOROSKMAJF-UHFFFAOYSA-N 265.718 1.869 70 40 CDIB C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1O 161399869 DTGBUCMTQHLTFP-HIFRSBDPSA-N 296.455 1.974 70 40 CDIB O=S(=O)(Cl)c1ccnc(Br)c1 100119914 ISYAMOKUNSIOHJ-UHFFFAOYSA-N 256.508 1.772 70 40 CDIB O=S(=O)(Cl)c1cccc2c1OC(F)(F)O2 100220372 RSCUQVIKWLIGNV-UHFFFAOYSA-N 256.613 1.936 70 40 CDIB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(OC)c1 217602187 CZBQHBPZUBGBNM-STQMWFEESA-N 293.319 1.098 70 40 CDIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)O 103603436 ZNIAAFYYZIYNAB-UHFFFAOYSA-N 278.713 1.640 70 40 CDIB CC(=O)N[C@@]12C[C@@H]3C[C@@H](C[C@@](O[N+](=O)[O-])(C3)C1)C2 217342273 DMXFZOUOBPFBEZ-IWDIQUIJSA-N 254.286 1.422 70 40 CDIB Cc1nn(Cc2ccccn2)c(C)c1S(=O)(=O)Cl 103612795 BPWNPPMXFMHDGV-UHFFFAOYSA-N 285.756 1.871 70 40 CDIB Cc1cccc(C(=O)NCC[C@@H](O)C2CCOCC2)c1 217913301 XROIAORLCVDDQO-OAHLLOKOSA-N 277.364 1.902 70 40 CDIB CN1CCC(CC(=O)NCCCN2CCCCC2)CC1 216899214 IEDCSTSSIVLYHE-UHFFFAOYSA-N 281.444 1.711 70 40 CDIB CCCn1nc(C)c(S(=O)(=O)Cl)c1C(=O)O 103694774 XXVOYPSJWJVWBV-UHFFFAOYSA-N 266.706 1.227 70 40 CDIB CN1CCC(C(=O)NCCSCc2ccco2)CC1 216920077 LPRPKUYOUQRLLZ-UHFFFAOYSA-N 282.409 1.971 70 40 CDIB COc1ccc(S(=O)(=O)Cl)cc1-c1nc(C)no1 59825969 CQHKKANPYQDKAJ-UHFFFAOYSA-N 288.712 1.981 70 40 CDIB O=S(=O)(Cl)c1cccc(S(=O)(=O)C(F)F)c1 88230925 GHXZXSOLVUHPID-UHFFFAOYSA-N 290.696 1.610 70 40 CDIB CN(C)C(=S)Oc1ccc(S(=O)(=O)F)cc1 104162177 VEUMLXVRFDNPGY-UHFFFAOYSA-N 263.315 1.570 70 40 CDIB O=C(O)c1cc(S(=O)(=O)Cl)cc2c1OCCO2 100503254 NCSFGFOXYGSSSH-UHFFFAOYSA-N 278.669 1.084 70 40 CDIB COC(=O)Nc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 97972446 XWOFMGSRLZPJFM-UHFFFAOYSA-N 294.672 1.701 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1CCOC1 218233394 SFEYAXWVTWWEHF-GFCCVEGCSA-N 279.340 1.285 70 40 CDIB NNc1nn2c(COc3ccccc3)nnc2s1 216760817 AEFXRIKIKQIERW-UHFFFAOYSA-N 262.298 1.050 70 40 CDIB Cc1nc2c(S(=O)(=O)Cl)cccc2c(=O)n1C 256050709 GEVRRMHFJYNJEX-UHFFFAOYSA-N 272.713 1.169 70 40 CDIB O=C(NCC[C@@H](O)C1CCOCC1)NC1CCCCC1 217928373 FHBOQDFJWNYKQT-CQSZACIVSA-N 284.400 1.796 70 40 CDIB CN1CCC(NS(=O)(=O)Cc2ccccc2F)CC1 216948746 ADGGOLALSHXDCY-UHFFFAOYSA-N 286.372 1.339 70 40 CDIB Cc1nc(Cl)c(S(=O)(=O)Cl)cc1C#N 256054952 YLZHOHZXBSCKEL-UHFFFAOYSA-N 251.094 1.843 70 40 CDIB O=C([C@@H]1CCCO1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 160969733 PQYNXQXQGUJXAK-JONQDZQNSA-N 290.407 1.522 70 40 CDIB Cc1ccccc1Cn1cc([C@H]2SCC(=O)N2C)nn1 216751105 QQYKTWMHCGBPKF-CQSZACIVSA-N 288.376 1.839 70 40 CDIB COCCNC(=O)NCC[C@@H](O)c1ccsc1 217544510 KHGVUGLBTQZPDT-SNVBAGLBSA-N 258.343 1.117 70 40 CDIB CN1CCC[C@@H](C(=O)NCCN(C)c2ccccc2)C1 216913700 RJCOVOAORFDHRL-CQSZACIVSA-N 275.396 1.581 70 40 CDIB O=C(c1cccnc1S(=O)(=O)Cl)N1CCCCC1 218805100 SGIDHWBPHPQKTK-UHFFFAOYSA-N 288.756 1.635 70 40 CDIB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(C)CC2)C1 216921807 ARAZXTAVCITRDL-HUUCEWRRSA-N 295.471 1.812 70 40 CDIB COCC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217982794 FPCZMLYHSNNSSR-CQSZACIVSA-N 263.293 1.403 70 40 CDIB CCOCc1c(S(=O)(=O)Cl)cnn1CC(F)F 408717358 YVEHMFZDDUMMLS-UHFFFAOYSA-N 288.703 1.612 70 40 CDIB CN(C)C(=O)Cc1ccc(S(=O)(=O)Cl)cc1 60003340 XOAAIFVFBJRDEW-UHFFFAOYSA-N 261.730 1.245 70 40 CDIB CCc1nsc(N2CCC[C@H]2CN2CCOCC2)n1 160403362 GEAFTCLNNQUNIV-NSHDSACASA-N 282.413 1.402 70 40 CDIB Cc1ncc(-c2nnc([C@@H]3CCCN(C=O)C3)o2)cn1 216664026 HZZSWCXEOZJHDN-SNVBAGLBSA-N 273.296 1.171 70 40 CDIB O=C(CCc1ccc(S(=O)(=O)Cl)cc1)NC1CC1 100010274 DWQGEHBXRYMNRX-UHFFFAOYSA-N 287.768 1.825 70 40 CDIB Cc1ccc(S(=O)(=O)[C@@H]2C[C@H]2C(N)=S)cc1 217994874 UDBGWPCFMTXLGP-NXEZZACHSA-N 255.364 1.443 70 40 CDIB CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)Cl)C1 100071036 NTBNFZSSXSSJBA-SSDOTTSWSA-N 269.750 1.564 70 40 CDIB in-vitro COC(=O)CS[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 217558370 HLYBBBJNOKKHBK-RYUDHWBXSA-N 283.393 1.850 70 40 CDIB O=C(O)c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 101464839 LJFTVGHGRFQBNF-UHFFFAOYSA-N 265.630 1.221 70 40 CDIB in-vitro CN1C(=O)C(C)(C)c2cc(S(=O)(=O)F)ccc21 105887602 DTHUETFANVHXQQ-UHFFFAOYSA-N 257.286 1.599 70 40 CDIB CCS(=O)(=O)N(CC(=N)N)c1ccc(Cl)cc1 217349305 BRGXJSPZHSZBRB-UHFFFAOYSA-N 275.761 1.432 70 40 CDIB O=S(=O)(Cl)N1CCC[C@@H](OC(F)(F)F)C1 97950050 IBUCGQQUNOWUTE-RXMQYKEDSA-N 267.656 1.471 70 40 CDIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)NC 100857833 BZZAUQVMSNSYSG-UHFFFAOYSA-N 291.756 1.301 70 40 CDIB COCCOc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 103693986 OQNLVNWVMVPJOJ-UHFFFAOYSA-N 295.700 1.548 70 40 CDIB N=C(N)CC(=O)Nc1ccc(Br)cc1 217744426 PNCVSSNGVSQARE-UHFFFAOYSA-N 256.103 1.714 70 40 CDIB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(C)C2)C1 216912403 SFSMMQCVGZEYTF-OWCLPIDISA-N 295.471 1.812 70 40 CDIB Nc1[nH]nc(-c2ccccc2)c1CC(=O)N1CCCC1 217815320 HABACNJECHKMHP-UHFFFAOYSA-N 270.336 1.824 70 40 CDIB CS(=O)(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 217548076 JRQNGZINPXNGSQ-ZDUSSCGKSA-N 297.401 1.879 70 40 CDIB CCN1C(=O)CCc2cc(S(=O)(=O)Cl)ccc21 103604325 WJGUTCPZNIKTFG-UHFFFAOYSA-N 273.741 1.913 70 40 CDIB Cc1cn2c(=O)c(S(=O)(=O)Cl)c(C)nc2s1 100676053 NDCIOGHJKYCABR-UHFFFAOYSA-N 278.742 1.300 70 40 CDIB O=S(=O)(Cl)c1ccc(N2CCCS2(=O)=O)cc1 100616022 NBMRNUHOCZZUFW-UHFFFAOYSA-N 295.769 1.154 70 40 CDIB O=S(=O)(Cl)CCCn1cnc2ccccc21 110752679 XCAMPTCRZBOYEO-UHFFFAOYSA-N 258.730 1.995 70 40 CDIB O=S(=O)(Cl)c1cccc(Br)n1 100043288 UGUYJEZIJYXIDU-UHFFFAOYSA-N 256.508 1.772 70 40 CDIB Cc1ccc(N)c(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 217785913 BUOIMWRTUAOBJQ-VXGBXAGGSA-N 262.353 1.756 70 40 CDIB O=S(=O)(Cl)CCCOc1ccc2c(c1)OCO2 100871393 ZRERTQVHRLWGHP-UHFFFAOYSA-N 278.713 1.753 70 40 CDIB CCCOCc1c(S(=O)(=O)Cl)cnn1CC 408716044 IGRGTSNHYZTXHG-UHFFFAOYSA-N 266.750 1.757 70 40 CDIB O=C(O)c1cc(Cl)cc(S(=O)(=O)Cl)c1 100003408 YPDVPJMKLXYCOA-UHFFFAOYSA-N 255.078 1.966 70 40 CDIB CCN(C(C)=O)c1ccc(S(=O)(=O)Cl)cc1 104141540 XBQDEWMWQULLEO-UHFFFAOYSA-N 261.730 1.987 70 40 CDIB CC[C@@H](C)OCc1nn(C)cc1S(=O)(=O)Cl 408715505 UHFUIVVEYXNZIW-SSDOTTSWSA-N 266.750 1.663 70 40 CDIB COc1ccc(C(=O)N2CCC[C@@H](C(=N)N)C2)cc1 217359136 WBBVYPRZLKAZAK-LLVKDONJSA-N 261.325 1.483 70 40 CDIB O=C1CCCC(=O)N1c1ccc(S(=O)(=O)Cl)cc1 100844816 GNOVCHITKNYBMC-UHFFFAOYSA-N 287.724 1.658 70 40 CDIB CC(C)OCCCNC(=O)CC1CCN(C)CC1 216895283 QDANJDDSLSAIAI-UHFFFAOYSA-N 256.390 1.650 70 40 CDIB O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCCCCC1 217964736 WBCAXAYTYQFRON-OKILXGFUSA-N 291.399 1.882 70 40 CDIB CC[C@H](C)NC(=O)Cc1cc(OC)c(OC)cc1N 217670174 DBCXSFCSMAIYDK-VIFPVBQESA-N 266.341 1.743 70 40 CDIB CCOC(=O)c1ccn(Cc2ccccc2)c(=O)c1O 218311195 NUSVGTUZAXQLKG-UHFFFAOYSA-N 273.288 1.779 70 40 CDIB O=c1c2ccccc2ccn1CCS(=O)(=O)F 100493955 OOISJIKOVKNBEC-UHFFFAOYSA-N 255.270 1.301 70 40 CDIB CC(C)COCc1c(S(=O)(=O)Cl)cnn1C 408716812 REXOISBUZSATNU-UHFFFAOYSA-N 266.750 1.520 70 40 CDIB CCCn1nc(C(=O)O)c(S(=O)(=O)Cl)c1C 103635602 ZZLQRCJVDOGPAO-UHFFFAOYSA-N 266.706 1.227 70 40 CDIB C[C@@H]1CCc2cc(C(=O)N3CCOCC3)ccc2N1 217516461 XVOWBKZLHFPIBR-LLVKDONJSA-N 260.337 1.906 70 40 CDIB O=C(O)[C@@H]1COc2ccc(S(=O)(=O)Cl)cc2C1 100536609 ZIMPRNQMDJRHDU-ZETCQYMHSA-N 276.697 1.250 70 40 CDIB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(F)cc1 6664598 VCXPVKXKCDNJRC-LLVKDONJSA-N 298.701 1.846 70 40 CDIB COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)Cl 103604120 KWUMUCCVUNDXQJ-UHFFFAOYSA-N 277.729 1.325 70 40 CDIB O=[N+]([O-])c1cc(F)c(F)c(S(=O)(=O)Cl)c1 59266836 WYXQNTSWZCZJDN-UHFFFAOYSA-N 257.601 1.801 70 40 CDIB in-vitro CCOCC(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 217552709 IYEADILSCFOIAO-INIZCTEOSA-N 289.331 1.711 70 40 CDIB O=C(c1ccoc1)N1CC[C@H](N2C(=O)CSC2=O)C1 217786322 ZUTRZUPKIKVBIA-VIFPVBQESA-N 280.305 1.190 70 40 CDIB O=C(C1CC1)N1CCC(N2C(=O)CSC2=O)CC1 217790682 ZSVDRPUKLBEQIR-UHFFFAOYSA-N 268.338 1.083 70 40 CDIB COc1ccc(-c2nc3c(c(=O)[nH]2)CN(C)CC3)cc1 216845532 HDPDRLKQYMHLHY-UHFFFAOYSA-N 271.320 1.433 70 40 CDIB O=C(O)c1cc(Br)cc(S(=O)(=O)F)c1 675065751 OOOSRFAVVDTFLB-UHFFFAOYSA-N 283.074 1.806 70 40 CDIB CS(=O)(=O)N(CC(=N)N)c1ccc(Cl)cc1 217347866 DAGZSWNSZHRPKG-UHFFFAOYSA-N 261.734 1.042 70 40 CDIB COC(=O)Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-] 97972921 UTLQLASZQNUHSM-UHFFFAOYSA-N 278.217 1.431 70 40 CDIB Cn1sc(=O)c2cc(S(=O)(=O)Cl)ccc21 138827129 ILNKHULVZXTQNU-UHFFFAOYSA-N 263.727 1.528 70 40 CDIB COC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)Cl)c1 100285428 RWMZOUXMDFTECQ-GQCTYLIASA-N 290.724 1.809 70 40 CDIB in-vitro O=C(O)c1c[nH]c2ccc(S(=O)(=O)Cl)cc2c1=O 100065240 MKCVRDAYSUJWON-UHFFFAOYSA-N 287.680 1.154 70 40 CDIB Cc1cccc(OCc2nnc3sc(NN)nn23)c1 216761000 VTUBQJFKLNQMQI-UHFFFAOYSA-N 276.325 1.359 70 40 CDIB O=S(=O)(Cl)c1ccc(-n2cccn2)c(F)c1 100057757 RIBBTTJUTZPZML-UHFFFAOYSA-N 260.677 1.939 70 40 CDIB in-vitro Cc1csc(C(=O)NCC[C@@H](O)C2CCOCC2)c1 217913868 GJJLVFXHRVTEOW-GFCCVEGCSA-N 283.393 1.964 70 40 CDIB Cc1[nH]c(Cc2ccc(Cl)cc2)nc(=O)c1CN 217009059 RBRJCUSNPOLJDT-UHFFFAOYSA-N 263.728 1.781 70 40 CDIB O=C(NC1CCCCC1)N1CC[C@@H](n2ccnn2)C1 217688839 NCWHDIDBJLERQE-GFCCVEGCSA-N 263.345 1.567 70 40 CDIB C[C@@](O)(CNS(=O)(=O)C1CC1)c1cc2ccccc2o1 217996519 VQMDQHUANKALOD-CQSZACIVSA-N 295.360 1.722 70 40 CDIB O=C(c1cnn(-c2ccccc2)n1)N1CCc2oncc2C1 217693318 JXNMUNXPMHKZMJ-UHFFFAOYSA-N 295.302 1.454 70 40 CDIB O=C(CCc1ccccc1)NCC[C@@H](O)C1CCOCC1 217914821 YIANFFWAMPAXDI-MRXNPFEDSA-N 291.391 1.913 70 40 CDIB CCOC(=O)c1ccc(NC(=O)c2cc(=O)nc[nH]2)cc1 217792674 FDWNQWVKRJGOFD-UHFFFAOYSA-N 287.275 1.199 70 40 CDIB Cc1nn(CC(F)(F)F)c(C)c1S(=O)(=O)Cl 100783916 CIUKNAYUXOIQHO-UHFFFAOYSA-N 276.667 1.990 70 40 CDIB in-vitro CCCCOCc1nn(C)cc1S(=O)(=O)Cl 408715120 AKVIWVHNDHGROH-UHFFFAOYSA-N 266.750 1.664 70 40 CDIB CN1CCC[C@H](C(=O)NCCN(C)c2ccccc2)C1 216913727 RJCOVOAORFDHRL-AWEZNQCLSA-N 275.396 1.581 70 40 CDIB CN1CCC[C@@H](C(=O)N(C)[C@@H]2CCCC[C@H]2O)C1 216916259 YPZYOJQRXYLPDC-JHJVBQTASA-N 254.374 1.090 70 40 CDIB Cc1cc(OC2CN(C(=O)NC(C)(C)C)C2)cc(=O)o1 217752613 XDCXEBIPZCCGTL-UHFFFAOYSA-N 280.324 1.519 70 40 CDIB COc1ccc(S(=O)(=O)Cl)cc1-c1noc(C)n1 59825922 WYPFEKWKGBUGLB-UHFFFAOYSA-N 288.712 1.981 70 40 CDIB O=[N+]([O-])c1cc(F)c(S(=O)(=O)Cl)c(F)c1 100585732 XMTMCDJHARJFGE-UHFFFAOYSA-N 257.601 1.801 70 40 CDIB in-vitro CCCCc1c(S(=O)(=O)Cl)c(C(=O)O)nn1C 103635747 DILUHLVGAOGUOA-UHFFFAOYSA-N 280.733 1.388 70 40 CDIB C=CCn1nc(C(=O)O)c(S(=O)(=O)Cl)c1C 103635610 GXFWLBOVXCPMSB-UHFFFAOYSA-N 264.690 1.003 70 40 CDIB O=C1N[C@H](CF)Cc2ccc(S(=O)(=O)Cl)cc21 100135928 PTBHATGROQLQBV-ZETCQYMHSA-N 277.704 1.238 70 40 CDIB CCC(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1 103603677 YMVUJYBFHHOJHS-UHFFFAOYSA-N 268.747 1.728 70 40 CDIB CCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1C 72399821 BXENIYIGPPXPNY-UHFFFAOYSA-N 292.740 1.864 70 40 CDIB in-vitro C[C@@H](NC(=O)CC(=N)N)c1cccc(Br)c1 217754906 ZLTRYYWRQLEADG-SSDOTTSWSA-N 284.157 1.952 70 40 CDIB CCCCn1cc(S(=O)(=O)Cl)c(COC)n1 408715452 PTCXTDCTCQHAOQ-UHFFFAOYSA-N 266.750 1.757 70 40 CDIB C[C@H]1CN(C[C@@H]2CCCN2c2ncc(F)cn2)C[C@@H](C)O1 160483225 SUYFQZWCEHGYBX-SCRDCRAPSA-N 294.374 1.694 70 40 CDIB Cn1cccc1[C@H](O)CCNC(=O)[C@H]1CC=CCC1 217937778 NXIKQKVWWDJEAH-GXTWGEPZSA-N 262.353 1.921 70 40 CDIB CCOCc1nn(CC(F)F)cc1S(=O)(=O)Cl 408715381 LLHVNCCQHIMMBU-UHFFFAOYSA-N 288.703 1.612 70 40 CDIB COc1ccccc1C(=O)N1CCC(C(=N)N)CC1 217356283 SFIHHXTZUWFTRY-UHFFFAOYSA-N 261.325 1.483 70 40 CDIB COc1ccc(S(=O)(=O)Cl)cc1NC(=O)C1CC1 100521824 WVZVUOFITIHSTP-UHFFFAOYSA-N 289.740 1.971 70 40 CDIB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)C1CC1 217978934 YVDKMYNINDLINO-GFCCVEGCSA-N 288.303 1.233 70 40 CDIB COc1cccc(Nc2cc(N3CCN(C)CC3)ncn2)c1 216847294 MNSKJSQCTCKVMT-UHFFFAOYSA-N 299.378 1.981 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)c(C(=O)OC)s1 100615143 WBSHFGSLQJTPAA-UHFFFAOYSA-N 298.725 1.249 70 40 CDIB NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 59222023 VEHDJXYCPSRHKZ-UHFFFAOYSA-N 254.094 1.366 70 40 CDIB Cn1cccc1[C@@H](O)CCNC(=O)c1cc(C2CC2)on1 217937682 URQOOWGEXLXSLQ-ZDUSSCGKSA-N 289.335 1.744 70 40 CDIB CCc1nc2ccc(S(=O)(=O)Cl)cc2c(=O)n1C 105659344 ZXAIBRYQWGQQKQ-UHFFFAOYSA-N 286.740 1.423 70 40 CDIB CN1CCC[C@@H](C(=O)Nc2ccccc2C(N)=O)C1 216910998 ZHBZMVLPALFFSE-SNVBAGLBSA-N 261.325 1.066 70 40 CDIB Cc1cc(C(=O)NCC[C@@H](O)c2cccn2C)no1 217931409 KBDVRBOPNHVAEP-GFCCVEGCSA-N 263.297 1.175 70 40 CDIB CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F 110749216 NVCVYPHDHLZQSK-UHFFFAOYSA-N 295.719 1.268 70 40 CDIB O=C(O)CS[C@@H](CS(=O)(=O)F)Oc1ccccc1 100932294 PVOOMQYURPBZIO-JTQLQIEISA-N 294.325 1.509 70 40 CDIB O=c1c2cc(S(=O)(=O)Cl)ccc2nc2n1CCC2 218793117 ZSIRMGXBNXKAKG-UHFFFAOYSA-N 284.724 1.270 70 40 CDIB Cn1cc(S(=O)(=O)Cl)c(COCC(F)F)n1 408716889 SGHAZNWZTOARCK-UHFFFAOYSA-N 274.676 1.129 70 40 CDIB CCOCC(=O)Nc1ncc(S(=O)(=O)Cl)s1 110749491 IEJFWCFQVYKKSX-UHFFFAOYSA-N 284.746 1.046 70 40 CDIB C[C@](O)(CNS(C)(=O)=O)c1cc2ccccc2o1 217996191 HRNKFTSBJWTYLJ-LBPRGKRZSA-N 269.322 1.190 70 40 CDIB COC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F 59261966 QKDFDJRJFWOQIH-UHFFFAOYSA-N 270.640 1.679 70 40 CDIB Cc1ncc(-c2nnc(C3CCN(C=O)CC3)o2)cn1 216640919 VXMIEGVSSUQLOX-UHFFFAOYSA-N 273.296 1.171 70 40 CDIB CCCS(=O)(=O)Nc1cnn(CC2CCOCC2)c1 218239417 YHDCOFNLVSQUIJ-UHFFFAOYSA-N 287.385 1.461 70 40 CDIB CNC(=O)c1cc(S(=O)(=O)Cl)ccc1OC(C)C 103612804 MOVMLIUMXGIARY-UHFFFAOYSA-N 291.756 1.761 70 40 CDIB Cn1cccc1[C@H](O)CCNC(=O)c1ccsc1 217931520 AFGBKIVPERUBSD-GFCCVEGCSA-N 264.350 1.940 70 40 CDIB CC(C)COC(=O)[C@@](F)(C(F)(F)F)S(=O)(=O)F 100015885 HGRXNWBWLRQAQO-LURJTMIESA-N 284.202 1.713 70 40 CDIB O=S(=O)(F)c1cccc(S(=O)(=O)Cl)c1 95736175 ZPGHDPUCQANFAD-UHFFFAOYSA-N 258.679 1.272 70 40 CDIB O=C(/C=C/c1ccccc1)N1CC(N2C(=O)CCC2=O)C1 217714704 UOWXGDKZAZOHCS-VOTSOKGWSA-N 284.315 1.060 70 40 CDIB O=[N+]([O-])c1cc(S(=O)(=O)F)cc(Cl)c1O 104161846 MWNLSUDUBRRWQA-UHFFFAOYSA-N 255.610 1.612 70 40 CDIB O=C(CBr)Nc1ccccc1S(=O)(=O)F 104130177 HUHYMRLTGLQYNO-UHFFFAOYSA-N 296.117 1.678 70 40 CDIB COC(=O)C1CCN(C(=O)CC2CCN(C)CC2)CC1 216900188 FQMGUUCREYTCMI-UHFFFAOYSA-N 282.384 1.130 70 40 CDIB O=C(O)[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 106977852 YLDSIFMBUXXODJ-QMMMGPOBSA-N 260.698 1.414 70 40 CDIB CN1CCN(Cc2ccc([B-](F)(F)F)s2)CC1 216312983 MUMMLTGPXVSCOA-UHFFFAOYSA-N 263.117 1.550 70 40 CDIB CCCNC(=O)NCCn1nc(-c2ccncc2)cc1C 217870702 IONSTVLUQJRHNE-UHFFFAOYSA-N 287.367 1.963 70 40 CDIB CC(C)n1nnnc1-c1cccc(S(=O)(=O)Cl)c1 103604087 PDSGPTWAMVJGOH-UHFFFAOYSA-N 286.744 1.849 70 40 CDIB O=C(NCCc1ccccc1)N1CC[C@@H](n2ccnn2)C1 217688370 ALRZDKIHBDGVJM-CQSZACIVSA-N 285.351 1.477 70 40 CDIB COc1ccc(S(=O)(=O)Cl)cc1CCC(N)=O 100026969 CNBPSBJKURSOJC-UHFFFAOYSA-N 277.729 1.041 70 40 CDIB CCOC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 217983089 SOLQTEHUMDXDQP-DGCLKSJQSA-N 299.417 1.542 70 40 CDIB Cc1ccc(S(=O)(=O)N(CC(=N)N)C2CC2)cc1 217350805 ZRHAIDNYBUEFQZ-UHFFFAOYSA-N 267.354 1.084 70 40 CDIB CCOC(=O)CCC(=O)Nc1ccn2nccc2c1 217952632 RAQLUZOINSCVEK-UHFFFAOYSA-N 261.281 1.616 70 40 CDIB CN(C)c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 104140075 FKKAMBUTRGPINO-UHFFFAOYSA-N 264.690 1.588 70 40 CDIB O=S(=O)(Cl)c1cnn(-c2ccc(Cl)cn2)c1 103612785 SKRAVNNGTDVJQY-UHFFFAOYSA-N 278.120 1.848 70 40 CDIB COc1ccc(-c2noc(O)n2)cc1S(=O)(=O)Cl 59211897 OAIQUWYAADCSQA-UHFFFAOYSA-N 290.684 1.378 70 40 CDIB COc1cc(N)c(CC(=O)NCC(C)C)cc1OC 217670279 PBJGCHZVEKRICN-UHFFFAOYSA-N 266.341 1.601 70 40 CDIB CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1C 100010231 USEMMNPJSQWUEP-UHFFFAOYSA-N 291.756 1.437 70 40 CDIB COC(=O)c1ccc(S(=O)(=O)Cl)c(F)c1 100455090 VSAKIWXAQOUGTP-UHFFFAOYSA-N 252.650 1.540 70 40 CDIB in-vitro COC(=O)c1cccc(Cn2cc(C3OCCO3)nn2)c1 216748699 MWTONMLEEGXNGB-UHFFFAOYSA-N 289.291 1.158 70 40 CDIB Cc1nc(C(F)(F)F)nc(O)c1CCC(=O)N(C)C 217598265 SZUKDWKZERFOPL-UHFFFAOYSA-N 277.246 1.530 70 40 CDIB Nc1cc(OS(=O)(=O)C(F)(F)F)c(F)cc1F 258330013 BTKQDVSQEVMUAI-UHFFFAOYSA-N 277.170 1.775 70 40 CDIB C=CCN1CCC(OS(=O)(=O)C(F)(F)F)CC1 110753653 BBSROPGRXAWDIC-UHFFFAOYSA-N 273.276 1.503 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cnccn1 218221202 HZZWPNIQEDHEHO-UHFFFAOYSA-N 287.323 1.352 70 40 CDIB CN(C)C(=S)Oc1ccc(S(=O)(=O)F)cc1F 104162088 JEFFPJHMIVDYHB-UHFFFAOYSA-N 281.305 1.709 70 40 CDIB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 217413185 DLHQKRZBSZZUDC-OHTBPHCPSA-N 273.263 1.659 70 40 CDIB CC(C)c1nsc(N2CCC[C@@H]2CN2CCOCC2)n1 160387493 XEXZPWKTZWWABQ-GFCCVEGCSA-N 296.440 1.963 70 40 CDIB CC(C)COc1ccc(S(=O)(=O)Cl)cc1C(N)=O 110749299 XDXHBMORCWDXMH-UHFFFAOYSA-N 291.756 1.748 70 40 CDIB C=CCn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 103693249 WXGHDEHEOOVOEY-UHFFFAOYSA-N 273.697 1.708 70 40 CDIB O=C1NCCCc2ccc(S(=O)(=O)Cl)cc21 100443167 DOIUWIROSAYQGO-UHFFFAOYSA-N 259.714 1.290 70 40 CDIB COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl 59092028 MLTJLRTUMSHHNJ-UHFFFAOYSA-N 279.657 1.309 70 40 CDIB CCCOc1ccc(S(=O)(=O)Cl)cc1C(N)=O 110749295 AVNDDWQAXMEFCI-UHFFFAOYSA-N 277.729 1.502 70 40 CDIB c1ccc([B-]2(c3ccccc3)OCCc3cccc[n+]32)cc1 196036925 FAOAIJIZFFPGRZ-UHFFFAOYSA-N 287.171 1.652 70 40 CDIB O=C1CCCN1c1cccc(S(=O)(=O)Cl)c1 100010882 DBEOQKUZIYKBQW-UHFFFAOYSA-N 259.714 1.741 70 40 CDIB COc1ccc(CCC(=O)O)cc1S(=O)(=O)Cl 218301970 RCCZGRLGHAYVLD-UHFFFAOYSA-N 278.713 1.640 70 40 CDIB COC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1 59222012 OUXKMWVLGUQISR-UHFFFAOYSA-N 252.650 1.540 70 40 CDIB in-vitro Cc1ccc(C(=O)CCN2CCO[C@H](CN(C)C)C2)cc1 159468268 PVLVDIAOUJNAOT-MRXNPFEDSA-N 290.407 1.830 70 40 CDIB CN1CCC(CC(=O)NCCN(C)c2ccccc2)CC1 216900586 FEFGMVWSDMVIIR-UHFFFAOYSA-N 289.423 1.971 70 40 CDIB CC(C)S(=O)(=O)Nc1cnn(CC2CCOCC2)c1 218243830 KKRKYXXBVTXGNJ-UHFFFAOYSA-N 287.385 1.460 70 40 CDIB CN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2F)nn1 216751707 AFEQZDPVTYWIRM-CYBMUJFWSA-N 292.339 1.669 70 40 CDIB CN1CCc2nc(Cc3ccccc3)[nH]c(=O)c2C1 216845247 UJXXOGFUKSQLOU-UHFFFAOYSA-N 255.321 1.349 70 40 CDIB CCOCC(=O)NC[C@@H]1CCCN1c1nccs1 217722158 NJROREKAKBLGKI-JTQLQIEISA-N 269.370 1.265 70 40 CDIB CS(=O)(=O)c1ccc(CS(=O)(=O)Cl)cc1 105379527 YDCXDGYRWAQPQZ-UHFFFAOYSA-N 268.743 1.159 70 40 CDIB COC(=O)COc1ccc(S(=O)(=O)Cl)c(C)c1 103336554 OLZPXCNNUYMHHX-UHFFFAOYSA-N 278.713 1.474 70 40 CDIB Cc1ccc(Cc2nnc3sc(NN)nn23)cc1 216755442 IDYPJMOPVNTGLB-UHFFFAOYSA-N 260.326 1.371 70 40 CDIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ncccc1=O 217589681 QMCFAYYYBZOMHO-FOSCPWQOSA-N 293.392 1.128 70 40 CDIB O=C1CCc2cc(S(=O)(=O)Cl)cc3c2N1CC3 97956530 VWDHSLTXFBCAIG-UHFFFAOYSA-N 271.725 1.449 70 40 CDIB CCOCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217807309 OPYKVWVMPKHEFK-LLVKDONJSA-N 293.367 1.765 70 40 CDIB CN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2)nn1 216750962 NYMIBFQYUBXKRY-CYBMUJFWSA-N 274.349 1.530 70 40 CDIB O=C([C@@H]1CCCO1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 160969495 PQYNXQXQGUJXAK-VGWMRTNUSA-N 290.407 1.522 70 40 CDIB Cc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)N(C)C 100548033 GELIXFGMGJVILJ-UHFFFAOYSA-N 297.785 1.173 70 40 CDIB CCn1ncc(S(=O)(=O)Cl)c1COC(C)C 408715919 GSIMKUZKTDPNSA-UHFFFAOYSA-N 266.750 1.756 70 40 CDIB COC[C@H](O)CNc1ccnc2c(F)cc(F)cc12 159541591 KHQYRFMWRNDQGS-SECBINFHSA-N 268.263 1.932 70 40 CDIB CCC(=O)N1C[C@@H](Oc2ccccc2F)C[C@@H]1C(=O)OC 217868621 BOKDVCOQWUNOSP-CMPLNLGQSA-N 295.310 1.757 70 40 CDIB O=[N+]([O-])c1cnn(-c2ccc(S(=O)(=O)Cl)cc2)c1 103633254 IJKQFRKNMARQGC-UHFFFAOYSA-N 287.684 1.708 70 40 CDIB COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 216847339 IPUOHLYSFIESKX-UHFFFAOYSA-N 299.378 1.981 70 40 CDIB CS(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217819401 VNGYRRMGEZHYOM-SECBINFHSA-N 285.369 1.161 70 40 CDIB O=C(c1cc2ccccc2o1)N1CC(N2C(=O)CCC2=O)C1 217715160 RBMIZRYFNUZMJV-UHFFFAOYSA-N 298.298 1.406 70 40 CDIB O=S(=O)(OCCOCC(F)(F)F)C(F)(F)F 707649336 JROSZLBRQMGFLY-UHFFFAOYSA-N 276.154 1.432 70 40 CDIB O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 100073747 CFCJOWCTJBGWMR-UHFFFAOYSA-N 266.618 1.431 70 40 CDIB CCCc1nnc2sc(-n3nc(C)cc3C)nn12 216756055 FAPGKONEBYKJQP-UHFFFAOYSA-N 262.342 1.941 70 40 CDIB Cc1nc(CN2CCCc3cc(C(N)=O)ccc32)no1 160770597 ATUOLECILJJMIV-UHFFFAOYSA-N 272.308 1.430 70 40 CDIB CCOC(=O)c1c(CC)n[nH]c1S(=O)(=O)Cl 101374392 MUBHQISDEMCUPT-UHFFFAOYSA-N 266.706 1.076 70 40 CDIB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Cl)ccc21 100676086 ROGCFUWDGQGGTC-UHFFFAOYSA-N 288.756 1.770 70 40 CDIB O=S(=O)(Cl)c1cnc(F)c(Br)c1 238598616 AHNPWBGSXIJTFD-UHFFFAOYSA-N 274.498 1.911 70 40 CDIB Cc1nnsc1C(=O)NCCSC1CCOCC1 217699817 JQDGDXCQPKQNCY-UHFFFAOYSA-N 287.410 1.489 70 40 CDIB C[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C(=O)N1 103704926 DKQJUDGMRFTOSP-LURJTMIESA-N 259.714 1.289 70 40 CDIB O=C(CBr)Nc1ccc(S(=O)(=O)F)cc1 100190460 ZWIZYNOKFWJXHE-UHFFFAOYSA-N 296.117 1.678 70 40 CDIB O=C([C@H]1CCCO1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 160969375 PQYNXQXQGUJXAK-YHUYYLMFSA-N 290.407 1.522 70 40 CDIB O=S(=O)(Cl)c1cccc(S(=O)(=O)NC2CC2)c1 100493855 AVRRYBPYXPLARI-UHFFFAOYSA-N 295.769 1.055 70 40 CDIB CC(C)OCc1c(S(=O)(=O)Cl)cnn1C 408716543 OBIJTFVIWSLIBG-UHFFFAOYSA-N 252.723 1.273 70 40 CDIB CCCS(=O)(=O)NCCn1ccc(-c2ccsc2)n1 217891753 BHOVUUNUODOZCA-UHFFFAOYSA-N 299.421 1.941 70 40 CDIB CN(C)C(=O)CCc1cnc(C(F)(F)F)nc1O 217597954 VNXCBWFVDWIBHY-UHFFFAOYSA-N 263.219 1.222 70 40 CDIB CCCn1ncc(S(=O)(=O)Cl)c1Br 259382515 MTSPXLJJDFOLDK-UHFFFAOYSA-N 287.566 1.983 70 40 CDIB CN1CCN(C(=O)Cc2noc(-c3ccccc3)n2)CC1 216844920 FLIJWRZFFDZXTD-UHFFFAOYSA-N 286.335 1.053 70 40 CDIB O=C(CCc1ccccc1)NCC[C@H](O)C1CCOCC1 217914744 YIANFFWAMPAXDI-INIZCTEOSA-N 291.391 1.913 70 40 CDIB O=C1C=CC(=O)N1c1ccc(S(=O)(=O)Cl)cc1 100487435 COLZNHMZLVPQFK-UHFFFAOYSA-N 271.681 1.044 70 40 CDIB CC(C)COCCn1cc(S(=O)(=O)Cl)cn1 103635505 IKYQYUPHUFTERM-UHFFFAOYSA-N 266.750 1.483 70 40 CDIB COc1ccc(CN(C)C(C)=O)cc1S(=O)(=O)Cl 110749389 DIBCXJOJBPVYGT-UHFFFAOYSA-N 291.756 1.601 70 40 CDIB O=S(=O)(OCCOC(F)(F)F)C(F)(F)F 100055321 XNNJMXBWUMKLRR-UHFFFAOYSA-N 262.127 1.389 70 40 CDIB CC(=O)Nc1cc(S(=O)(=O)Cl)ccc1F 100634195 QYHTYCODTAPJMY-UHFFFAOYSA-N 251.666 1.712 70 40 CDIB CCCn1cc(S(=O)(=O)Cl)c(COCC)n1 408715548 WBIAQVMKGWMCCU-UHFFFAOYSA-N 266.750 1.757 70 40 CDIB CC(C)c1nn(C)c(C(=O)O)c1S(=O)(=O)Cl 103694759 QTNRXKPJWRNOOO-UHFFFAOYSA-N 266.706 1.169 70 40 CDIB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1ccccc1 217601860 IRSSBHLNKKUOIJ-KBPBESRZSA-N 291.347 1.408 70 40 CDIB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(F)cc1 6664600 VCXPVKXKCDNJRC-NSHDSACASA-N 298.701 1.846 70 40 CDIB CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1C 408716815 RGZSGNLUXFNKQM-SSDOTTSWSA-N 266.750 1.663 70 40 CDIB O=[N+]([O-])c1ccc(F)c(OS(=O)(=O)C(F)(F)F)c1 247315941 JZTGJLIOQXRSLD-UHFFFAOYSA-N 289.162 1.962 70 40 CDIB Cc1cc2c(cc1S(=O)(=O)Cl)O[C@H](C)C(=O)N2 100061768 VZZPLYBSZLNVMV-ZCFIWIBFSA-N 275.713 1.642 70 40 CDIB O=c1c2ccccc2ncn1CCCS(=O)(=O)Cl 110752716 SRGAYQYLMZRZAS-UHFFFAOYSA-N 286.740 1.355 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 217558531 HLYBBBJNOKKHBK-NEPJUHHUSA-N 283.393 1.850 70 40 CDIB O=C(COc1ccc(S(=O)(=O)Cl)cc1)NC1CC1 100010245 MPAHSYNRTQOSNY-UHFFFAOYSA-N 289.740 1.272 70 40 CDIB CC[C@@H](C)[C@@H](CO)NC(=O)CCCn1cccn1 218258344 AIVDOAIFJVXCFF-VXGBXAGGSA-N 253.346 1.187 70 40 CDIB Cc1cc(Cc2ccc(S(=O)(=O)Cl)cc2)c(=O)[nH]n1 59211899 CIQVLRRZXSKXHX-UHFFFAOYSA-N 298.751 1.597 70 40 CDIB NC(=O)C(=O)NCC1(c2ccsc2)CCCC1 217485672 GSSRCXVKARQOJZ-UHFFFAOYSA-N 252.339 1.161 70 40 CDIB CC[C@H](C)n1ncc(S(=O)(=O)Cl)c1COC 408717066 VLXOKJREXBRQCU-ZETCQYMHSA-N 266.750 1.928 70 40 CDIB Cc1ccc(Cn2cc([C@@H]3SCC(=O)N3C)nn2)cc1 216751276 KHUJAMUDXNMGIM-AWEZNQCLSA-N 288.376 1.839 70 40 CDIB CN(C)C(=O)COc1ccc(S(=O)(=O)Cl)cc1F 100857848 OMDYHEDFLGOVSC-UHFFFAOYSA-N 295.719 1.220 70 40 CDIB O=C(CCc1ccccc1F)N1CC[C@H](n2ccnn2)C1 217687311 HLSUDAQWBWBXPQ-ZDUSSCGKSA-N 288.326 1.823 70 40 CDIB CC(C)n1cnc2c(S(=O)(=O)Cl)cccc2c1=O 256052087 LWSFVMODBOKAPT-UHFFFAOYSA-N 286.740 1.905 70 40 CDIB Cc1cc(O[C@@H]2CCN(C(=O)c3ccco3)C2)cc(=O)o1 217769997 ZLHNOKPRKQQUNZ-LLVKDONJSA-N 289.287 1.835 70 40 CDIB CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)Cl)C1 100165793 GNGWMWXDMXELMT-MRVPVSSYSA-N 283.777 1.955 70 40 CDIB CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)F)CC1 1776011238 VCCMGGJGJIORJO-UHFFFAOYSA-N 282.337 1.190 70 40 CDIB CC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)n[nH]2)CC1 217857070 WATSEQRHHHNFLR-UHFFFAOYSA-N 294.355 1.623 70 40 CDIB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(C)CC2)C1 216921833 ARAZXTAVCITRDL-GASCZTMLSA-N 295.471 1.812 70 40 CDIB Cn1cccc1[C@H](O)CCNC(=O)c1cc(C2CC2)on1 217937603 URQOOWGEXLXSLQ-CYBMUJFWSA-N 289.335 1.744 70 40 CDIB Cc1ccnc(N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)n1 160479327 WTYYIPVLLQOVJH-ZNMIVQPWSA-N 290.411 1.863 70 40 CDIB CN1C(=O)C(C)(C)Oc2ccc(S(=O)(=O)Cl)cc21 100908492 LHRFTZOHFXPVLK-UHFFFAOYSA-N 289.740 1.748 70 40 CDIB CCCN1Cc2ccc(S(=O)(=O)Cl)cc2C1=O 103620018 CYXQUCWMWKEDOW-UHFFFAOYSA-N 273.741 1.980 70 40 CDIB O=C(NCC[C@H](O)C1CCOCC1)Nc1ccccc1 217928077 KQKBWRIVMKUHMK-AWEZNQCLSA-N 278.352 1.986 70 40 CDIB O=S(=O)(Oc1cncc(Cl)c1)C(F)(F)F 59074695 JJLIHTCEFNQHGH-UHFFFAOYSA-N 261.608 1.963 70 40 CDIB COC(=O)c1c(C(F)(F)F)nn(C)c1C(=O)OC 217739805 GDYVZLCHFUMMAY-UHFFFAOYSA-N 266.175 1.012 70 40 CDIB COC(=O)c1ccc(S(=O)(=O)Cl)c(OC)c1 97976187 PUJYXVAATTZGRU-UHFFFAOYSA-N 264.686 1.409 70 40 CDIB O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Cl 59161946 RDXUBBUYWZAROQ-UHFFFAOYSA-N 287.724 1.241 70 40 CDIB CN(C)CCOB(c1ccccc1)c1ccccc1 195751994 UAJQOJCHMYMEEH-UHFFFAOYSA-N 253.154 1.371 70 40 CDIB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(OC)c1 217602108 CZBQHBPZUBGBNM-OLZOCXBDSA-N 293.319 1.098 70 40 CDIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)OC 100857841 IQQATIQOSDVNQQ-UHFFFAOYSA-N 292.740 1.728 70 40 CDIB COC(=O)c1ccc(Cn2cc(NC3=NCCC3)cn2)o1 217805523 HWIJFXBIJUQDBW-UHFFFAOYSA-N 288.307 1.915 70 40 CDIB CCOC(=O)COc1cccc(S(=O)(=O)Cl)c1C 100404094 BPYXVPOLVBLNQJ-UHFFFAOYSA-N 292.740 1.864 70 40 CDIB Cn1cnc(S(=O)(=O)Cl)c1Br 207114475 WGQKJIXTDYCWCI-UHFFFAOYSA-N 259.512 1.110 70 40 CDIB O=C(c1ccc(S(=O)(=O)Cl)cc1)N1CCC1 100894063 AYWCFPAYXLMCBG-UHFFFAOYSA-N 259.714 1.460 70 40 CDIB CCOC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 217983019 SOLQTEHUMDXDQP-AAEUAGOBSA-N 299.417 1.542 70 40 CDIB CCn1cnc2ccc(S(=O)(=O)Cl)cc2c1=O 105659359 QMPWKTYENSJLHZ-UHFFFAOYSA-N 272.713 1.344 70 40 CDIB O=S(=O)(F)CCSc1nnc2ccccn12 100836647 VYUBCYKPMJEYCT-UHFFFAOYSA-N 261.303 1.121 70 40 CDIB Cc1ncc(-c2nnc([C@H]3CCCN(C=O)C3)o2)cn1 216664078 HZZSWCXEOZJHDN-JTQLQIEISA-N 273.296 1.171 70 40 CDIB O=C(Nc1cccnc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 218239436 IZAJWUWGYQWARY-TXEJJXNPSA-N 286.339 1.513 70 40 CDIB CCn1nccc1CNc1ccc2oc(=O)[nH]c2c1 160075019 ZONYIILYBVYJFB-UHFFFAOYSA-N 258.281 1.950 70 40 CDIB COc1cc(NC(=O)CC(=N)N)c(OC)cc1Cl 217753033 ZLHXKTRVCPSMFU-UHFFFAOYSA-N 271.704 1.622 70 40 CDIB Cc1ccnc(-n2cc(S(=O)(=O)Cl)cn2)c1 100457078 LJQDVCAGCMBBCW-UHFFFAOYSA-N 257.702 1.503 70 40 CDIB in-vitro CCO[C@@H](C)Cn1cc(S(=O)(=O)Cl)cn1 103701287 MMOHAJFPQOJPON-ZETCQYMHSA-N 252.723 1.236 70 40 CDIB CC(C)OCc1nn(C)cc1S(=O)(=O)Cl 408715493 SOWRIDFTDDORBN-UHFFFAOYSA-N 252.723 1.273 70 40 CDIB COC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl 217570516 PTBRPIIAXIDKPX-ZDUSSCGKSA-N 289.734 1.535 70 40 CDIB Cc1nc2ccc(S(=O)(=O)Cl)cc2c(=O)n1C 105659341 PFUTYNOPCMETKP-UHFFFAOYSA-N 272.713 1.169 70 40 CDIB O=C1COc2ccc(S(=O)(=O)Cl)c3c2N1CCC3 59891659 ROHRSSPSQJNZQH-UHFFFAOYSA-N 287.724 1.286 70 40 CDIB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Cl)cc1 97998485 OSXUEFNNGFSXIC-UHFFFAOYSA-N 273.697 1.268 70 40 CDIB O=S(=O)(F)OC(F)(F)C(F)(F)Br 103624043 BSNGCKGYXWVQBT-UHFFFAOYSA-N 278.980 1.798 70 40 CDIB Cn1nc(C2CC2)cc1OS(=O)(=O)C(F)(F)F 116233815 SHFPNXLHFLMDES-UHFFFAOYSA-N 270.232 1.526 70 40 CDIB COC(=O)c1ccc(C[C@@H]2CNC(=O)OC2)s1 218691517 XPENLXMQAJDQCP-SSDOTTSWSA-N 255.295 1.433 70 40 CDIB Cc1nn(C)c(C(F)(F)F)c1S(=O)(=O)Cl 103694748 RDEAPUWAKSQJSW-UHFFFAOYSA-N 262.640 1.675 70 40 CDIB Cc1nn(-c2ccccn2)c(C)c1S(=O)(=O)Cl 59312418 FOVCHXPTCVUJSK-UHFFFAOYSA-N 271.729 1.812 70 40 CDIB CN(C)C(=O)CCc1ccc(S(=O)(=O)Cl)cc1 100010295 GAZABKCQGFLXMA-UHFFFAOYSA-N 275.757 1.635 70 40 CDIB CN1CCC[C@@H](C(=O)NCCSC(C)(C)C)C1 216907357 XHZNQQKQSNJYNK-LLVKDONJSA-N 258.431 1.976 70 40 CDIB Cn1cnnc1CN1CCN(c2ccccc2F)CC1 160674178 UHYJLHQPFMPPFJ-UHFFFAOYSA-N 275.331 1.276 70 40 CDIB Cn1cccc1[C@@H](O)CCNC(=O)COc1ccccc1 217932888 JJTFZWXCRDAKSO-HNNXBMFYSA-N 288.347 1.644 70 40 CDIB Cn1cccc1[C@H](O)CCNC(=O)COc1ccccc1 217932821 JJTFZWXCRDAKSO-OAHLLOKOSA-N 288.347 1.644 70 40 CDIB CCc1cc(OS(=O)(=O)C(F)(F)F)n(C)n1 575423354 MJGQIFYTGYRPSP-UHFFFAOYSA-N 258.221 1.211 70 40 CDIB O=C(c1ccc(S(=O)(=O)Cl)cc1)N1CCCC1 100566829 BKZQSICUAKTKCK-UHFFFAOYSA-N 273.741 1.850 70 40 CDIB COc1cc(N)c(CC(=O)N2CCCC2)cc1OC 217670718 VXXXMRKZRKRYHA-UHFFFAOYSA-N 264.325 1.451 70 40 CDIB CC1(C)Oc2ccc(S(=O)(=O)Cl)cc2NC1=O 100908489 ZMPACNNYSVTPPZ-UHFFFAOYSA-N 275.713 1.724 70 40 CDIB COc1cccc(Cn2cc(C3OCCO3)nn2)c1 216748834 FMKYFDWWNRZSJL-UHFFFAOYSA-N 261.281 1.380 70 40 CDIB CS(=O)(=O)Oc1ccc(S(=O)(=O)F)cc1Cl 104161383 IAWVAOWNJJCRNQ-UHFFFAOYSA-N 288.705 1.337 70 40 CDIB CC(C)NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 217962888 WRKZVRMCCXKXIY-PHIMTYICSA-N 251.334 1.004 70 40 CDIB Cn1cccc1[C@H](O)CCNC(=O)Cc1ccsc1 217938867 BWIBSCGZZGBOEG-CYBMUJFWSA-N 278.377 1.869 70 40 CDIB COc1cc(NC(=O)N2CCOCC2)ccc1F 160229678 OBOGCIPQGXPQBM-UHFFFAOYSA-N 254.261 1.698 70 40 CDIB N=C(N)c1ccc(OCC(=O)N2CCCCC2)cc1 217688524 FIHUZJICADEJDC-UHFFFAOYSA-N 261.325 1.362 70 40 CDIB Cc1noc(-c2ccsc2NC(=O)c2cn(C)nn2)n1 217649836 SZBVGKFYWNHYLG-UHFFFAOYSA-N 290.308 1.487 70 40 CDIB COc1ccc(C(=O)NCC[C@@H](O)C2CCOCC2)cc1 217915190 GFIKZVLZYMZMJX-OAHLLOKOSA-N 293.363 1.603 70 40 CDIB CCS(=O)(=O)N(CC(=N)N)c1ccccc1C 217348847 YEMWACAPAJTRPY-UHFFFAOYSA-N 255.343 1.087 70 40 CDIB O=C1[C@@H](S(=O)(=O)Cl)CCN1c1ccccc1 103694280 NAGJOICRJJHDPC-VIFPVBQESA-N 259.714 1.361 70 40 CDIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(N)=O 100857832 QXSFEESWVNJXTF-UHFFFAOYSA-N 277.729 1.041 70 40 CDIB CCCCn1cc(S(=O)(=O)Cl)c(C(=O)O)n1 103635512 KNDGNQREGMLSBS-UHFFFAOYSA-N 266.706 1.309 70 40 CDIB CCS(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217819580 HWRUGMBAMDNOLO-SNVBAGLBSA-N 299.396 1.551 70 40 CDIB CN(C)C(=O)OCCN1CCC(C2CCOCC2)CC1 159482629 YOKZQJWYHOIVKY-UHFFFAOYSA-N 284.400 1.823 70 40 CDIB O=S(=O)(Cl)c1cccc(Cn2cccn2)c1 59222037 HYKBSDZIGCBYHN-UHFFFAOYSA-N 256.714 1.859 70 40 CDIB CN1CCN(c2ccc(S(=O)(=O)Cl)cc2)CC1 100111891 FNDWIXDKKZWRKM-UHFFFAOYSA-N 274.773 1.366 70 40 CDIB Cc1ccc(OCc2nnc3sc(NN)nn23)cc1 216761060 MSYWYUAAIOTRCU-UHFFFAOYSA-N 276.325 1.359 70 40 CDIB CN1CCC(CC(=O)N2CC(=O)Nc3ccccc32)CC1 216896263 UNWQELBSRZICBP-UHFFFAOYSA-N 287.363 1.704 70 40 CDIB CN(C)C(=O)CCCc1c(O)nc(C(F)(F)F)nc1O 217598677 AKLDGYBWXUZDKM-UHFFFAOYSA-N 293.245 1.318 70 40 CDIB C=CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O 103604174 WYGJXUNDLXZGQD-UHFFFAOYSA-N 276.697 1.877 70 40 CDIB CCn1cc(-c2nc(O)cc(CCCOC)n2)cn1 217789618 OPGXZLDZKCPAHY-UHFFFAOYSA-N 262.313 1.645 70 40 CDIB O=C(NCCn1ccnc1-c1ccccn1)C1CC1 217857779 UZLNUFAUUQXGDX-UHFFFAOYSA-N 256.309 1.471 70 40 CDIB CS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1Cl 100651902 VVUIJEISLYEVOO-UHFFFAOYSA-N 289.161 1.671 70 40 CDIB in-vitro O=C(CCc1ccccc1F)N1CC[C@@H](n2ccnn2)C1 217687394 HLSUDAQWBWBXPQ-CYBMUJFWSA-N 288.326 1.823 70 40 CDIB CCOC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 217983174 SOLQTEHUMDXDQP-YPMHNXCESA-N 299.417 1.542 70 40 CDIB O=C1[C@@H]2[C@H]3C[C@H](c4ccccc43)[C@H]2N1S(=O)(=O)Cl 104157964 RZNYNEXRQZESHS-LNFKQOIKSA-N 283.736 1.582 70 40 CDIB CN1C(=O)CS[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 216751813 WIZIEBQFIYCLDI-CYBMUJFWSA-N 292.339 1.669 70 40 CDIB O=C(Cn1cccc1)Nc1cnn(CC2CCOCC2)c1 218226894 WZXIMACYKQRPGO-UHFFFAOYSA-N 288.351 1.750 70 40 CDIB Cc1ccnc(N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)n1 160479207 WTYYIPVLLQOVJH-QLFBSQMISA-N 290.411 1.863 70 40 CDIB COC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(C)cc1 217994284 VKYBKTUPRKTLQH-YPMHNXCESA-N 299.417 1.460 70 40 CDIB Cc1csc(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1 217714603 RIZLENIMJUALFM-UHFFFAOYSA-N 278.333 1.030 70 40 CDIB CC[C@@H](C)n1ncc(S(=O)(=O)Cl)c1COC 408717065 VLXOKJREXBRQCU-SSDOTTSWSA-N 266.750 1.928 70 40 CDIB CCOCC(=O)NC[C@H]1CCCN1c1nccs1 217722238 NJROREKAKBLGKI-SNVBAGLBSA-N 269.370 1.265 70 40 CDIB CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1 217627045 VPWPZFILZWDJIS-UHFFFAOYSA-N 296.330 1.634 70 40 CDIB Cc1ccc(CC(=O)N2C[C@H](C)O[C@H](C)C2)c(N)c1 217779326 HECDBYGUWPUNGG-TXEJJXNPSA-N 262.353 1.756 70 40 CDIB COCCNC(=O)NC[C@H]1CCCN(c2nccs2)C1 218170116 MOUDPQSWJTUFHZ-LLVKDONJSA-N 298.412 1.305 70 40 CDIB CC(C)(C)c1nsc(N2CCC(NCCO)CC2)n1 160150842 MHHPWNQEBZAQNS-UHFFFAOYSA-N 284.429 1.386 70 40 CDIB COc1coc(C(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1=O 218544942 GJMVAQWBROBHJI-AXFHLTTASA-N 275.304 1.590 70 40 CDIB CCOc1nn(C)c2ccc(S(=O)(=O)Cl)cc12 225773853 KLFBRGUNEFJQBN-UHFFFAOYSA-N 274.729 1.900 70 40 CDIB COCc1c(S(=O)(=O)Cl)cnn1C(F)F 408716013 HYAJDCXARJAKHP-UHFFFAOYSA-N 260.649 1.352 70 40 CDIB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Cl)C(=O)C2 100014451 BGABKEVTHIJBIW-XCBNKYQSSA-N 250.747 1.950 70 40 CDIB in-vitro CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)C(=O)C2=O 100488150 MXMGFUNWQUEXIL-QUBYGPBYSA-N 264.730 1.129 70 40 CDIB in-vitro CNC(=O)C(C)(C)CNc1cc(C)nc(COC)n1 161092647 NTKQEVPHXZGRTR-UHFFFAOYSA-N 266.345 1.116 70 40 CDIB CC(C)(C)OC(=O)N1CC(C(=O)C(F)(F)F)C1 218385638 IPUIZEKVOYQPOL-UHFFFAOYSA-N 253.220 1.985 70 40 CDIB COc1ccc(C(=O)NC2CCN(C)CC2)cc1C 216842710 XARYZTUFYIVDOC-UHFFFAOYSA-N 262.353 1.828 70 40 CDIB COC(=O)c1nc(Cl)ccc1S(=O)(=O)Cl 100651875 FKMZBYYOKDMNEA-UHFFFAOYSA-N 270.093 1.449 70 40 CDIB in-vitro Cn1cccc1[C@@H](O)CCNC(=O)c1ccsc1 217931608 AFGBKIVPERUBSD-LBPRGKRZSA-N 264.350 1.940 70 40 CDIB Cc1cc(S(=O)(=O)Cl)nn1CC(F)(F)F 100805346 BFHYMMRPNCRUDF-UHFFFAOYSA-N 262.640 1.681 70 40 CDIB N=C(N)CC(=O)N1CCC(Cc2ccccc2)CC1 217749588 AOWYJKLBOXXUNO-UHFFFAOYSA-N 259.353 1.794 70 40 CDIB NCCC[C@@H](N)C(=O)Nc1ccc2ccccc2c1 218509699 GOWRWGKBZOPGCT-CQSZACIVSA-N 257.337 1.845 70 40 CDIB COCC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21 103604279 LYTPBHNHROIZNV-UHFFFAOYSA-N 289.740 1.150 70 40 CDIB C[C@@H](CS(=O)(=O)F)NC(=O)OCc1ccccc1 71318432 WULYPZWRNSWJFH-VIFPVBQESA-N 275.301 1.601 70 40 CDIB COC(=O)c1ccc(Cn2cc(C3OCCO3)nn2)cc1 216748769 YTQMCNHBWZZRMX-UHFFFAOYSA-N 289.291 1.158 70 40 CDIB COc1ccccc1CN(C)C(=O)C1CCN(C)CC1 216923394 XCVMFHNGMSYISP-UHFFFAOYSA-N 276.380 1.995 70 40 CDIB Cc1nc(C(F)(F)F)nc(O)c1CCCC(=O)N(C)C 217598360 GNKCXHDXIUQQJU-UHFFFAOYSA-N 291.273 1.920 70 40 CDIB Cc1noc(C)c1CC(=O)N1CC(Oc2nccs2)C1 218781023 QJKMSPMZZHZHBJ-UHFFFAOYSA-N 293.348 1.580 70 40 CDIB C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1O 161400001 DTGBUCMTQHLTFP-ZFWWWQNUSA-N 296.455 1.974 70 40 CDIB O=C(O)c1cc(S(=O)(=O)Cl)cn1CC(F)F 167392175 IOOGNJNKMAGASR-UHFFFAOYSA-N 273.644 1.379 70 40 CDIB CCC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21 59681496 WRGDULRLERROFA-UHFFFAOYSA-N 273.741 1.913 70 40 CDIB C[C@@H]1Oc2cc(S(=O)(=O)Cl)ccc2NC1=O 110766370 WUHOHNXRJHPQAO-YFKPBYRVSA-N 261.686 1.334 70 40 CDIB CCS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1 100447163 JRQHHZNOHIKOCF-UHFFFAOYSA-N 268.743 1.408 70 40 CDIB CCn1nc(C(=O)O)c(S(=O)(=O)Cl)c1C(C)C 103635761 FAHSBIPMJQZLKH-UHFFFAOYSA-N 280.733 1.652 70 40 CDIB CCOC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 217982947 SOLQTEHUMDXDQP-WCQYABFASA-N 299.417 1.542 70 40 CDIB O=C(CBr)Nc1cccc(S(=O)(=O)F)c1 100190492 RFEGYTOEGTVYBU-UHFFFAOYSA-N 296.117 1.678 70 40 CDIB NC[C@@H]1CCCN1C(=O)Cc1ccccc1Br 217256704 DZJJLKWVEYZYRQ-NSHDSACASA-N 297.196 1.941 70 40 CDIB CCCc1c(S(=O)(=O)Cl)c(C(=O)O)nn1CC 103635768 JUSFGELBSSEERC-UHFFFAOYSA-N 280.733 1.481 70 40 CDIB CC(C)COC(=O)[C@](F)(C(F)(F)F)S(=O)(=O)F 100015882 HGRXNWBWLRQAQO-ZCFIWIBFSA-N 284.202 1.713 70 40 CDIB O=c1c2cc(S(=O)(=O)Cl)ccc2nc2n1CCCC2 140126838 DXPLHLFFZYXKAV-UHFFFAOYSA-N 298.751 1.660 70 40 CDIB O=C1C[C@@H](O)Oc2cc(OCCCCl)ccc21 34508372 QQCNABFQXYBSGX-LBPRGKRZSA-N 256.685 1.978 70 40 CDIB O=S(=O)(Cl)CCCn1cnc(C(F)(F)F)c1 110752712 KMNUYTSJGMBBEZ-UHFFFAOYSA-N 276.667 1.861 70 40 CDIB CNC(=O)CCc1ccc(S(=O)(=O)Cl)cc1 59681516 JCGWGASSFUXCBT-UHFFFAOYSA-N 261.730 1.293 70 40 CDIB O=C1CSc2ccc(S(=O)(=O)Cl)cc2N1 100104673 FEXJVEZCIWUQMB-UHFFFAOYSA-N 263.727 1.658 70 40 CDIB O=C1[C@@H]2[C@H]3C[C@@H](c4ccccc43)[C@H]2N1S(=O)(=O)Cl 104157957 RZNYNEXRQZESHS-UKKRHICBSA-N 283.736 1.582 70 40 CDIB CCOCc1nn(CC)cc1S(=O)(=O)Cl 408715443 OONAPMJHMNFYKU-UHFFFAOYSA-N 252.723 1.367 70 40 CDIB COC(=O)[C@@H]1CC=C(OS(=O)(=O)C(F)(F)F)CC1 100069130 OWGASBOFFHCLOP-ZCFIWIBFSA-N 288.243 1.710 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)ccc1O 60023434 JCUQSWVHGVRETC-UHFFFAOYSA-N 250.659 1.106 70 40 CDIB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1cccc(OC)c1 217602040 CZBQHBPZUBGBNM-QWHCGFSZSA-N 293.319 1.098 70 40 CDIB CCCCOCc1c(S(=O)(=O)Cl)cnn1C 408715888 GJHUQKSBLYJDFT-UHFFFAOYSA-N 266.750 1.664 70 40 CDIB CCCCn1ncc(S(=O)(=O)Cl)c1COC 408716024 IBSOQHHGZJHEQH-UHFFFAOYSA-N 266.750 1.757 70 40 CDIB Cc1ccc([C@@H]2CN(CCOC(=O)N(C)C)CCO2)o1 159528073 ZJLLRZXJDGNISJ-ZDUSSCGKSA-N 282.340 1.660 70 40 CDIB CC(C)O[C@H](C)Cn1cc(S(=O)(=O)Cl)cn1 103701086 MSPZDTCASQQITJ-MRVPVSSYSA-N 266.750 1.624 70 40 CDIB CC(C)COCc1c(S(=O)(=O)Cl)cnn1CCF 408715820 FFSZXFPJBLSQHM-UHFFFAOYSA-N 298.767 1.953 70 40 CDIB CCn1nc(Br)c(S(=O)(=O)Cl)c1C 408716931 STGBHHLRQFCGFY-UHFFFAOYSA-N 287.566 1.901 70 40 CDIB COC(=O)COc1ccc(S(=O)(=O)Cl)cc1C 100857829 ZYTSEJHPTQAXEU-UHFFFAOYSA-N 278.713 1.474 70 40 CDIB CCCOCc1c(S(=O)(=O)Cl)cnn1C 408717400 ZOBANAIWWVGSRV-UHFFFAOYSA-N 252.723 1.274 70 40 CDIB COc1ccccc1C(=O)N1CCC[C@H](C(=N)N)C1 217359558 KWHSMXUSZJMPSY-JTQLQIEISA-N 261.325 1.483 70 40 CDIB CN(C)C(=O)N(C)c1ccc(S(=O)(=O)Cl)cc1 95696974 HPCZEBRXJDXUBN-UHFFFAOYSA-N 276.745 1.732 70 40 CDIB C[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C(=O)N1 103704924 DKQJUDGMRFTOSP-ZCFIWIBFSA-N 259.714 1.289 70 40 CDIB COc1cc(OC)c(S(=O)(=O)Cl)cc1OC 100013799 LSFOYENWQJZHKY-UHFFFAOYSA-N 266.702 1.640 70 40 CDIB O=C(O)c1cc(S(=O)(=O)Cl)c(Br)o1 100591200 BMHALDWUBWVPIK-UHFFFAOYSA-N 289.490 1.668 70 40 CDIB in-vitro O=C(O)c1cc(S(=O)(=O)Cl)cn1CC(F)(F)F 167392414 RVRJPUUKWFWNNH-UHFFFAOYSA-N 291.634 1.676 70 40 CDIB O=S(=O)(Cl)c1cnn(-c2ccc(F)cc2)c1 59312429 UBXUFMHCHGUINZ-UHFFFAOYSA-N 260.677 1.939 70 40 CDIB O=S(=O)(F)c1cc(Cl)c(O)c(S(=O)(=O)F)c1 104161899 KAGYNBOSIIDNFC-UHFFFAOYSA-N 292.668 1.362 70 40 CDIB N=C(N)CC(=O)Nc1cccc(Br)c1 217744317 FDKRUTDRJOZQQN-UHFFFAOYSA-N 256.103 1.714 70 40 CDIB CCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2)nn1 216752822 PXLKQYABNNAWEQ-CQSZACIVSA-N 288.376 1.920 70 40 CDIB CN1CCC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2O)C1 216916284 YPZYOJQRXYLPDC-YNEHKIRRSA-N 254.374 1.090 70 40 CDIB COC(=O)COc1cc(C)c(S(=O)(=O)Cl)cc1C 110749285 KRYOKDHAFOOXFY-UHFFFAOYSA-N 292.740 1.783 70 40 CDIB O=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccnc1 217534931 RMOPUHBZMDRYLX-GFCCVEGCSA-N 298.389 1.545 70 40 CDIB CC1CCN(C(=O)COc2ccc(C(=N)N)cc2)CC1 217686614 FTCZDYNITIVNJY-UHFFFAOYSA-N 275.352 1.608 70 40 CDIB Cn1cccc1[C@@H](O)CCNC(=O)Cc1ccsc1 217938945 BWIBSCGZZGBOEG-ZDUSSCGKSA-N 278.377 1.869 70 40 CDIB O=C1Nc2ccc(S(=O)(=O)Cl)cc2C1(F)F 217482460 GYGJTKHITVYSIE-UHFFFAOYSA-N 267.640 1.658 70 40 CDIB CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1F 100009764 CTELCYFLRNFINY-UHFFFAOYSA-N 251.666 1.712 70 40 CDIB CN1CCC[C@H](C(=O)NCCSC(C)(C)C)C1 216907390 XHZNQQKQSNJYNK-NSHDSACASA-N 258.431 1.976 70 40 CDIB O=C(NCC[C@@H](O)C1CCOCC1)Nc1ccccc1 217928168 KQKBWRIVMKUHMK-CQSZACIVSA-N 278.352 1.986 70 40 CDIB COCCOc1ccc(S(=O)(=O)Cl)c(F)c1 100585745 DKCZIWPYNXHFBI-UHFFFAOYSA-N 268.693 1.778 70 40 CDIB CN1CCC(Oc2ccc(CNS(C)(=O)=O)cc2)CC1 216941060 GVLLAIBLECRCDR-UHFFFAOYSA-N 298.408 1.209 70 40 CDIB CC(=O)c1cccc(NC(=O)c2cc(=O)nc[nH]2)c1 217792571 YTWZGISSCOIJNZ-UHFFFAOYSA-N 257.249 1.225 70 40 CDIB C[C@H]1Oc2cc(S(=O)(=O)Cl)ccc2NC1=O 110766366 WUHOHNXRJHPQAO-RXMQYKEDSA-N 261.686 1.334 70 40 CDIB O=C(O)CCCOc1ccc(S(=O)(=O)Cl)cc1F 100614112 GAJJWMGAJLYABH-UHFFFAOYSA-N 296.703 1.997 70 40 CDIB in-vitro O=S(=O)(Cl)c1ccncc1Br 100189055 ROJXVEVYKKTMKL-UHFFFAOYSA-N 256.508 1.772 70 40 CDIB ClC(Cl)[SiH2]CC[SiH2]C(Cl)Cl 195827388 ZFYMRGIOIWUZLU-UHFFFAOYSA-N 256.108 1.683 70 40 CDIB CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1C 408716816 RGZSGNLUXFNKQM-ZETCQYMHSA-N 266.750 1.663 70 40 CDIB COc1cc(N)c(CC(=O)NC(C)C)cc1OC 217669754 OHHWADZCASYOTQ-UHFFFAOYSA-N 252.314 1.353 70 40 CDIB O=S(=O)(Cl)N1CCC[C@H](OC(F)(F)F)C1 97950049 IBUCGQQUNOWUTE-YFKPBYRVSA-N 267.656 1.471 70 40 CDIB O=[N+]([O-])c1ccc(OCCF)c(S(=O)(=O)Cl)c1 103694004 ULSVSKOPDGZMBV-UHFFFAOYSA-N 283.664 1.871 70 40 CDIB COc1cccc(C(=O)N2CCC(C(=N)N)CC2)c1 217356392 NBUJWOCUXQPMCU-UHFFFAOYSA-N 261.325 1.483 70 40 CDIB Cn1ncc(Br)c1CS(=O)(=O)Cl 110765144 QZOSLRQHXUGCOV-UHFFFAOYSA-N 273.539 1.251 70 40 CDIB CC(C)Cn1cc(S(=O)(=O)Cl)c(C(=O)O)n1 103635481 HWDZQLFRJKJGLV-UHFFFAOYSA-N 266.706 1.165 70 40 CDIB CCOc1ccc(S(=O)(=O)Cl)cc1C(N)=O 100520231 GCUPVWFQUHQULX-UHFFFAOYSA-N 263.702 1.112 70 40 CDIB Cc1ccc(N)c(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 217785841 BUOIMWRTUAOBJQ-RYUDHWBXSA-N 262.353 1.756 70 40 CDIB COc1cccc(S(=O)(=O)Cl)c1[N+](=O)[O-] 100805339 BTKLECQHNVGKHO-UHFFFAOYSA-N 251.647 1.531 70 40 CDIB O=C1CC[C@@H](C(=O)Oc2c(F)c(F)c(F)c(F)c2F)N1 101462995 ZKWANACRJCJAMX-VKHMYHEASA-N 295.163 1.566 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)CC(C)(C)C)C1 217550761 HWATWEJVSNLXTB-SNVBAGLBSA-N 273.398 1.930 70 40 CDIB Cc1nc2ccc(NC(=O)NCCCO)cc2nc1C 217302070 PCDBPTSQSYVOMJ-UHFFFAOYSA-N 274.324 1.751 70 40 CDIB O=C(O)c1cc(Cl)c(O)c(S(=O)(=O)Cl)c1 100633037 AWRFXYMSFNUBMN-UHFFFAOYSA-N 271.077 1.671 70 40 CDIB in-vitro O=C(c1ccc(Br)o1)N1CC(n2ccnn2)C1 217713377 XVEDFDLLZXYPAG-UHFFFAOYSA-N 297.112 1.331 70 40 CDIB COC[C@](C)(O)CNC(=O)CCc1ccccc1F 217571384 YXZZEKRUDVCSAC-CQSZACIVSA-N 269.316 1.272 70 40 CDIB CCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1 100857824 PXHULOFOSFQHDM-UHFFFAOYSA-N 278.713 1.556 70 40 CDIB COc1nn(C)c2ccc(S(=O)(=O)Cl)cc12 225773816 ZNLJKESNKIWRQY-UHFFFAOYSA-N 260.702 1.509 70 40 CDIB O=S(=O)(F)c1ccc(S(=O)(=O)Cl)cc1 97972427 SUSSWTNBQQOZNN-UHFFFAOYSA-N 258.679 1.272 70 40 CDIB CN1[C@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1CC2 114012352 KSPVFUJFLJBOLL-RNFRBKRXSA-N 271.260 1.603 70 40 CDIB N=C(N)CC(=O)NCc1ccc(Cl)cc1Cl 217740749 APTZOPQPMYLVGB-UHFFFAOYSA-N 260.124 1.936 70 40 CDIB O=[SH](=O)c1ccc2cc(S(=O)(=O)Cl)ccc2c1 888088116 FNAIINHDBRDOJB-UHFFFAOYSA-N 290.749 1.738 70 40 CDIB CC(C)(C(=O)N1CCCCC1)S(=O)(=O)Cl 103605084 FPNKXPDVWAUGRC-UHFFFAOYSA-N 253.751 1.346 70 40 CDIB CCn1cc(S(=O)(=O)Cl)cc1C(=O)OC 110756097 ZMXCYPZILXIIHW-UHFFFAOYSA-N 251.691 1.222 70 40 CDIB CCn1cc(S(=O)(=O)Cl)c(COCC(F)F)n1 408717185 WQONESWVUWQTIP-UHFFFAOYSA-N 288.703 1.612 70 40 CDIB C[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1 217510340 DSFWZYQKRDYJFE-GFCCVEGCSA-N 285.390 1.658 70 40 CDIB CC(C)n1nnnc1-c1ccc(S(=O)(=O)Cl)cc1 103604070 IOGMWYFLNIROPX-UHFFFAOYSA-N 286.744 1.849 70 40 CDIB CCCc1nnsc1C(=O)N1CC[C@@H](n2ccnn2)C1 217686660 RIDXPJFDHLFJAF-SECBINFHSA-N 292.368 1.169 70 40 CDIB Cn1ncc2c1-c1cccc(S(=O)(=O)Cl)c1C2=O 218817433 TXMVSQAKVBBXDC-UHFFFAOYSA-N 282.708 1.559 70 40 CDIB CCOCc1nn(C(C)C)cc1S(=O)(=O)Cl 408715446 OYCDABFQGCXUNB-UHFFFAOYSA-N 266.750 1.928 70 40 CDIB CC(C)O[C@@H](C)Cn1cc(S(=O)(=O)Cl)cn1 103701082 MSPZDTCASQQITJ-QMMMGPOBSA-N 266.750 1.624 70 40 CDIB C[S@](=O)c1nncn1-c1nc(C(C)(C)C)ns1 159445094 IBXJQFZMNWLSCK-QGZVFWFLSA-N 271.371 1.154 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccco2)C1 217550470 ALEFDVAAUKMZJZ-SECBINFHSA-N 269.322 1.400 70 40 CDIB O=S(=O)(Oc1nccc2ncccc12)C(F)(F)F 100000564 JEFYTZPTJXLZSK-UHFFFAOYSA-N 278.211 1.858 70 40 CDIB O=C(C1CCC1)N1CC[C@@H](N2C(=O)CSC2=O)C1 217780551 QMSVUSHSOOQWRX-SECBINFHSA-N 268.338 1.083 70 40 CDIB O=C1[C@H](S(=O)(=O)Cl)CCN1c1ccccc1 103694282 NAGJOICRJJHDPC-SECBINFHSA-N 259.714 1.361 70 40 CDIB COCCOc1ccc(C)cc1S(=O)(=O)Cl 59107046 PTBCGPSBMYBEJK-UHFFFAOYSA-N 264.730 1.948 70 40 CDIB Cc1cc(C(=O)NCC[C@H](O)c2cccn2C)no1 217931331 KBDVRBOPNHVAEP-LBPRGKRZSA-N 263.297 1.175 70 40 CDIB COc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)n1 161205314 CXRHAHXMFOTXNS-GFCCVEGCSA-N 290.323 1.355 70 40 CDIB COc1cc(S(=O)(=O)Cl)ccc1NC(C)=O 101711428 CTRQHACJJHWFLW-UHFFFAOYSA-N 263.702 1.581 70 40 CDIB Cc1cc(S(=O)(=O)Cl)ccc1OCCC(=O)O 100604003 DSPOCWCVUVRRPB-UHFFFAOYSA-N 278.713 1.776 70 40 CDIB in-vitro O=C(CCl)Nc1ccccc1S(=O)(=O)F 104130165 DZDNHNVPQRNWTD-UHFFFAOYSA-N 251.666 1.522 70 40 CDIB CN1c2ccc(C(N)=O)cc2-c2ccccc2S1(=O)=O 216890205 YYAZOKVWYCVAEG-UHFFFAOYSA-N 288.328 1.591 70 40 CDIB C[C@](O)(CNS(=O)(=O)C1CC1)c1cc2ccccc2o1 217996609 VQMDQHUANKALOD-AWEZNQCLSA-N 295.360 1.722 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)ccc1OC 59261919 YDEWENZFUMWNIM-UHFFFAOYSA-N 264.686 1.409 70 40 CDIB O=C(NCCSC1CCOCC1)c1ccco1 217698778 NTIMMCTVZMXGEE-UHFFFAOYSA-N 255.339 1.922 70 40 CDIB O=[N+]([O-])c1c(F)ccc(S(=O)(=O)Cl)c1F 229695793 LKQNNHULADJVNK-UHFFFAOYSA-N 257.601 1.801 70 40 CDIB CCC(=O)N1CCN(CCCN2CCCCC2)CC1 160833518 XCYTXIRWZHHXHA-UHFFFAOYSA-N 267.417 1.417 70 40 CDIB Cc1cc(S(=O)(=O)Cl)ccc1OCC(=O)O 100600645 DCINLXKBUPEILD-UHFFFAOYSA-N 264.686 1.386 70 40 CDIB COc1ccc([C@@H](C)NC(=O)CC(=N)N)cc1OC 217754306 CXUQONGPULHSQK-MRVPVSSYSA-N 265.313 1.207 70 40 CDIB C[C@H](NC(=O)CC(=N)N)c1cccc(Br)c1 217754989 ZLTRYYWRQLEADG-ZETCQYMHSA-N 284.157 1.952 70 40 CDIB COc1ccc2nsnc2c1S(=O)(=O)Cl 97972246 PSFZOVDYASBDRW-UHFFFAOYSA-N 264.715 1.627 70 40 CDIB Cc1noc(CC2CN(C(=O)OC(C)(C)C)C2)n1 161047356 LTIUJMXNSXCJSI-UHFFFAOYSA-N 253.302 1.787 70 40 CDIB CCNC(=O)CCc1ccc(S(=O)(=O)Cl)cc1 100010298 LOVNHSNAKAEASO-UHFFFAOYSA-N 275.757 1.683 70 40 CDIB CN1C(=O)C(C)(C)Oc2cc(S(=O)(=O)Cl)ccc21 100908521 UEGPDLWRZIFLCC-UHFFFAOYSA-N 289.740 1.748 70 40 CDIB O=C1CCc2cc(S(=O)(=O)Cl)ccc2N1CCF 218790907 CYHIARJIFXMZMI-UHFFFAOYSA-N 291.731 1.863 70 40 CDIB Cc1csc(CN2CCOC[C@@H]2c2nc(C)no2)n1 160934193 GCZVHWVMFBDNMZ-SNVBAGLBSA-N 280.353 1.716 70 40 CDIB CC(C)(C)c1nsc(N[C@H]2CCCN(C(N)=O)C2)n1 159762379 GBBLJNCYHBVRKJ-QMMMGPOBSA-N 283.401 1.791 70 40 CDIB COc1ccc(Nc2cc(NCCN)nc(C)n2)cc1 217677920 RMJLHSUIVSVTFN-UHFFFAOYSA-N 273.340 1.908 70 40 CDIB COCC1(COS(=O)(=O)C(F)(F)F)CCC1 110753772 IQCLJJCRYGTYFQ-UHFFFAOYSA-N 262.249 1.669 70 40 CDIB COC(CN1CCO[C@H](c2ccccc2C)C1)OC 161245042 GALMQZHJWJLNAJ-AWEZNQCLSA-N 265.353 1.987 70 40 CDIB O=S1(=O)CC[C@@H](c2ccc(S(=O)(=O)Cl)cc2)C1 219296721 BEKFAJKHSRHEHU-SECBINFHSA-N 294.781 1.516 70 40 CDIB O=S(=O)(F)c1ccc(I)cc1 100433474 ATWMMWPERDAQSC-UHFFFAOYSA-N 286.065 1.949 70 40 CDIB CC(C)C(=O)Nc1nnc(S(=O)(=O)Cl)s1 103987766 PCZLKTSSYPFERC-UHFFFAOYSA-N 269.735 1.060 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cccnc2)C1 217550897 FWZRZDDJXOGMQD-LLVKDONJSA-N 280.349 1.202 70 40 CDIB C=CCn1nnnc1-c1cccc(S(=O)(=O)Cl)c1 103604094 RDJCNXSFDOECBP-UHFFFAOYSA-N 284.728 1.454 70 40 CDIB CCS(=O)(=O)N(CC(=N)N)c1ccccc1Cl 217349502 YEAOBAOEMQPDIZ-UHFFFAOYSA-N 275.761 1.432 70 40 CDIB CC(C)S(=O)(=O)c1cccc(S(=O)(=O)Cl)c1 103667159 ZXXYWIUFCAKOEW-UHFFFAOYSA-N 282.770 1.796 70 40 CDIB CN(C)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95698165 DKOVCBHYOXFPRM-UHFFFAOYSA-N 262.718 1.708 70 40 CDIB CCOCC(=O)Nc1cnn(CC2CCOCC2)c1 218206079 KGNMJQHMGROQHT-UHFFFAOYSA-N 267.329 1.285 70 40 CDIB CCOC(=O)c1[nH]nc2c1C[C@@H](NC(=O)OC(C)(C)C)C2 217917807 LWSVFVANDQKWQI-MRVPVSSYSA-N 295.339 1.578 70 40 CDIB Cc1oncc1C(=O)Nc1cnn(CC2CCOCC2)c1 218231939 WSNWFARPHGVJKW-UHFFFAOYSA-N 290.323 1.858 70 40 CDIB Cc1ncn(CC(=O)N2[C@H]3C=CC[C@H]2CC3)c(=O)c1C 218744489 GZYSZRZFCKPGSC-STQMWFEESA-N 273.336 1.180 70 40 CDIB Cc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N(C)C 100010227 JJOONAHYKCBWBR-UHFFFAOYSA-N 291.756 1.390 70 40 CDIB CC(C)c1c(S(=O)(=O)Cl)c(C(=O)O)nn1C 103635736 PHBNJMSGJVACGE-UHFFFAOYSA-N 266.706 1.169 70 40 CDIB Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(C)on1)C2 161505905 PVBFERFUHKONIR-VIFPVBQESA-N 260.297 1.758 70 40 CDIB CCOc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 103693224 AZTWWOUMGUCMMM-UHFFFAOYSA-N 265.674 1.921 70 40 CDIB COCCN1Cc2ccc(S(=O)(=O)Cl)cc2C1=O 103620022 SWIUEQTVYXSHBG-UHFFFAOYSA-N 289.740 1.216 70 40 CDIB COCc1cc2c(cc1S(=O)(=O)Cl)OCCO2 110753884 CCCGQKVFAHOONP-UHFFFAOYSA-N 278.713 1.532 70 40 CDIB Cc1noc(C)c1S(=O)(=O)N1CCc2oncc2C1 217694203 HSRJMEAXOFMBHV-UHFFFAOYSA-N 283.309 1.026 70 40 CDIB O=C(Nc1ccccc1F)N1CC[C@H](n2ccnn2)C1 217689426 SVRNKQXJAGUJMV-JTQLQIEISA-N 275.287 1.896 70 40 CDIB COc1cc(S(=O)(=O)Cl)c(OC)cc1NC(C)=O 100049859 QMJIZLZFBGRSAS-UHFFFAOYSA-N 293.728 1.590 70 40 CDIB in-vitro COC[C@@](C)(O)CNC(=O)CCc1ccccc1F 217571458 YXZZEKRUDVCSAC-AWEZNQCLSA-N 269.316 1.272 70 40 CDIB COC(=O)/C=C/c1ccc(S(=O)(=O)Cl)cc1 100285434 GMILRSSKKFEWKB-QPJJXVBHSA-N 260.698 1.800 70 40 CDIB COc1cc(S(=O)(=O)Cl)ccc1-n1cccn1 103695103 MFUKFZKTECQACP-UHFFFAOYSA-N 272.713 1.808 70 40 CDIB CCS(=O)(=O)N(CC(=N)N)c1ccc(C)cc1 217348618 GAOMAVDUSHFNDL-UHFFFAOYSA-N 255.343 1.087 70 40 CDIB CCOc1ccc(C(N)=O)cc1S(=O)(=O)Cl 108311370 MFZXEPKIKNCONB-UHFFFAOYSA-N 263.702 1.112 70 40 CDIB Cc1cc(C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)no1 217750778 IQYVNLWUSFYPPM-UHFFFAOYSA-N 290.275 1.148 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 217564097 YXHXCZWKBDGFQR-GFCCVEGCSA-N 297.351 1.946 70 40 CDIB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Cl)c1 82036265 YZQWTLPSBDFBRR-UHFFFAOYSA-N 292.696 1.187 70 40 CDIB Cc1ccc(S(=O)(=O)[C@H]2C[C@H]2C(N)=S)cc1 217994963 UDBGWPCFMTXLGP-ZJUUUORDSA-N 255.364 1.443 70 40 CDIB Cc1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)s1 217747662 KSIJAEMNPWTKDX-UHFFFAOYSA-N 296.373 1.576 70 40 CDIB CCOCc1c(S(=O)(=O)Cl)cnn1C(F)F 408716081 IRIRVJIKBLDLJP-UHFFFAOYSA-N 274.676 1.742 70 40 CDIB S=C(NCCCn1ccnc1)Nc1ccncc1 217865880 GRLWHNVYTUWKLQ-UHFFFAOYSA-N 261.354 1.655 70 40 CDIB O=S(=O)(c1ccccc1F)N1CCc2oncc2C1 217694090 GQGIQFPQQXYTSW-UHFFFAOYSA-N 282.296 1.561 70 40 CDIB Cc1ccc(N)c(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 217785758 BUOIMWRTUAOBJQ-TXEJJXNPSA-N 262.353 1.756 70 40 CDIB CCCNC(=O)Nc1cnn(CC2CCOCC2)c1 218238678 BIOGBPXIZOSKAU-UHFFFAOYSA-N 266.345 1.841 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 217551741 NHQXEBMGLZNRCA-ITKZLYELSA-N 295.360 1.800 70 40 CDIB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1 217601623 IRSSBHLNKKUOIJ-ZIAGYGMSSA-N 291.347 1.408 70 40 CDIB COc1nc(OC)c([B-](F)(F)F)cc1Br 642814628 NYRILUYFQUEGPW-UHFFFAOYSA-N 284.848 1.916 70 40 CDIB COc1ccccc1C(=O)N1CCC[C@@H](C(=N)N)C1 217359495 KWHSMXUSZJMPSY-SNVBAGLBSA-N 261.325 1.483 70 40 CDIB Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Cl 100446063 MPXPLKCMUDUGGU-UHFFFAOYSA-N 253.638 1.970 70 40 CDIB in-vitro CCCn1cnc2ccc(S(=O)(=O)Cl)cc2c1=O 105659370 GZCIGRDOGVYEAV-UHFFFAOYSA-N 286.740 1.734 70 40 CDIB Cc1cc(C(=O)N2CC(Oc3nccs3)C2)n(C)n1 217685543 VKZWMSAHDTXCLW-UHFFFAOYSA-N 278.337 1.088 70 40 CDIB Cc1ccc(Cn2cc([C@H]3SCC(=O)N3C)nn2)cc1 216751325 KHUJAMUDXNMGIM-CQSZACIVSA-N 288.376 1.839 70 40 CDIB O=C(c1cc(S(=O)(=O)Cl)c[nH]1)N1CCCC1 100566744 OWPFEQZTSUAQTP-UHFFFAOYSA-N 262.718 1.178 70 40 CDIB COc1cc(N)c(CC(=O)N2CCCCC2)cc1OC 217670844 SOAHKKDWPGBADB-UHFFFAOYSA-N 278.352 1.841 70 40 CDIB CCS(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217819670 HWRUGMBAMDNOLO-JTQLQIEISA-N 299.396 1.551 70 40 CDIB C[C@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1 217510417 DSFWZYQKRDYJFE-LBPRGKRZSA-N 285.390 1.658 70 40 CDIB COCc1c(S(=O)(=O)Cl)cnn1C(C)C 408717151 WHPIZNODEUDKDE-UHFFFAOYSA-N 252.723 1.538 70 40 CDIB C=CCOc1ccc(C(=O)O)cc1S(=O)(=O)Cl 103604183 VMWLSDWQUCBJER-UHFFFAOYSA-N 276.697 1.877 70 40 CDIB CC(=O)N1CCC[C@@H](c2nnc(-c3cncnc3C)o2)C1 216660180 MJDSGLJXNWSAHQ-LLVKDONJSA-N 287.323 1.561 70 40 CDIB COc1ccc(C(=O)N2CCC(C(=N)N)CC2)cc1OC 217356485 VAPMZLXFDCSNPT-UHFFFAOYSA-N 291.351 1.492 70 40 CDIB O=C(O)c1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1 59079713 WAEWUWLDBSNLMD-UHFFFAOYSA-N 265.630 1.221 70 40 CDIB O=C(CS(=O)(=O)Cl)N1CCc2ccccc21 217517623 NLCNAPFYYJLCPA-UHFFFAOYSA-N 259.714 1.144 70 40 CDIB CC(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1 100504731 GJBDWQBDKZBGSY-UHFFFAOYSA-N 251.666 1.712 70 40 CDIB CCOCC(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 217552616 IYEADILSCFOIAO-MRXNPFEDSA-N 289.331 1.711 70 40 CDIB [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@H]1O 100035499 FALJDJGJWQSYBM-SNVBAGLBSA-N 270.697 1.345 70 40 CDIB O=C(c1ccc2nsnc2c1)N1CCc2oncc2C1 217692185 OYCICTPKPCQUAO-UHFFFAOYSA-N 286.316 1.878 70 40 CDIB COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F 59222013 YISREXSAILYBAW-UHFFFAOYSA-N 270.640 1.679 70 40 CDIB in-vitro [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)[C@@H]1O 100035502 FALJDJGJWQSYBM-JTQLQIEISA-N 270.697 1.345 70 40 CDIB CN1Cc2cc(S(=O)(=O)Cl)ccc2OC1=O 100469145 KWWOYMZGHAYEAJ-UHFFFAOYSA-N 261.686 1.558 70 40 CDIB COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)Cl 103604131 GKLCNAOJRVFEHI-UHFFFAOYSA-N 291.756 1.761 70 40 CDIB COCCOc1ccc(C(=O)O)cc1S(=O)(=O)Cl 59095894 LXXKPHAOSWAFRQ-UHFFFAOYSA-N 294.712 1.338 70 40 CDIB COc1cccc(CN2CCOC[C@H]2c2nc(C)no2)n1 161205225 CXRHAHXMFOTXNS-LBPRGKRZSA-N 290.323 1.355 70 40 CDIB CN1C(=O)CS[C@H]1c1cn(Cc2ccc(F)cc2)nn1 216751848 WIZIEBQFIYCLDI-ZDUSSCGKSA-N 292.339 1.669 70 40 CDIB O=C(NCC[C@@H](O)C1CCOCC1)NCc1ccccc1 217928570 VUOXNDXUHAJMHS-OAHLLOKOSA-N 292.379 1.663 70 40 CDIB NC[C@H]1CCCN1C(=O)Cc1ccccc1Br 217256702 DZJJLKWVEYZYRQ-LLVKDONJSA-N 297.196 1.941 70 40 CDIB Cc1cc(N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)ncn1 160479061 UGOIEYRKZQPEMU-ZNMIVQPWSA-N 290.411 1.863 70 40 CDIB CC(C)OCc1nn(CCF)cc1S(=O)(=O)Cl 408715390 LTXXCYXAMFNDEZ-UHFFFAOYSA-N 284.740 1.705 70 40 CDIB CC(C)Cc1noc(CN[C@H]2CCCCC[C@H]2C(N)=O)n1 159728531 TXXBLQSVDMJJCA-NEPJUHHUSA-N 294.399 1.792 70 40 CDIB CS(=O)(=O)N(CC(=N)N)c1cccc(Cl)c1 217347955 LVXQZCOYVMUPOL-UHFFFAOYSA-N 261.734 1.042 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)N1CCOCC1 218239144 HUMJACPORTWEEW-UHFFFAOYSA-N 294.355 1.174 70 40 CDIB COc1ccc(S(=O)(=O)Cl)c2nccnc12 146620391 ARLFWJUMNLJLOH-UHFFFAOYSA-N 258.686 1.566 70 40 CDIB COC(=O)c1cc2c(N3CCN(C)CC3)ncnc2s1 216844786 FOEMNGCNEPGNQA-UHFFFAOYSA-N 292.364 1.230 70 40 CDIB CCc1nc2c(S(=O)(=O)Cl)cccc2c(=O)n1C 256051726 KIVBAUKIQHUUIG-UHFFFAOYSA-N 286.740 1.423 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2cccnc2)C1 217550990 FWZRZDDJXOGMQD-NSHDSACASA-N 280.349 1.202 70 40 CDIB COC(=O)[C@H]1CC=C(OS(=O)(=O)C(F)(F)F)CC1 100069126 OWGASBOFFHCLOP-LURJTMIESA-N 288.243 1.710 70 40 CDIB O=C(Nc1nccs1)[C@H]1CC[C@H](Cn2cnnn2)CC1 218111144 MBZBMMXUDQABEI-AOOOYVTPSA-N 292.368 1.575 70 40 CDIB O=C1[C@@H]2[C@@H]3C[C@H](c4ccccc43)[C@H]2N1S(=O)(=O)Cl 104157968 RZNYNEXRQZESHS-GWOFURMSSA-N 283.736 1.582 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccno1 218196194 FDPGOXWDRARUFK-UHFFFAOYSA-N 276.296 1.550 70 40 CDIB O=c1[nH]c2cc(Cl)c(S(=O)(=O)Cl)cc2o1 100633375 BILROERYVIUOEP-UHFFFAOYSA-N 268.077 1.702 70 40 CDIB O=C(O)COc1ccc(S(=O)(=O)Cl)cc1 100037300 NSVSCKUCAQQETF-UHFFFAOYSA-N 250.659 1.078 70 40 CDIB in-vitro COc1cccc(C(=O)N2CCC[C@H](C(=N)N)C2)c1 217359386 VSJGPZACNHUJBV-NSHDSACASA-N 261.325 1.483 70 40 CDIB CC(C)OC(=O)[C@@](F)(C(F)(F)F)S(=O)(=O)F 100015897 DWZCKAYMMURTLB-YFKPBYRVSA-N 270.175 1.465 70 40 CDIB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1 217601776 IRSSBHLNKKUOIJ-KGLIPLIRSA-N 291.347 1.408 70 40 CDIB Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2C(N)=S)cc1 217994710 UDBGWPCFMTXLGP-VHSXEESVSA-N 255.364 1.443 70 40 CDIB COc1ccc(CNC(C)=O)cc1S(=O)(=O)Cl 100517219 GEQTWTGHANYCRD-UHFFFAOYSA-N 277.729 1.259 70 40 CDIB CC[C@H](Nc1ccc(Cn2cncn2)cc1)C(=O)OC 159488400 FGPHOPVKARCFEH-ZDUSSCGKSA-N 274.324 1.690 70 40 CDIB O=C(c1ccccc1F)N1CC[C@H](n2ccnn2)C1 217685828 LZMCOHHHZNSURT-JTQLQIEISA-N 260.272 1.504 70 40 CDIB CC(=O)N[C@@]12C[C@H]3C[C@@H](C1)C[C@](CO[N+](=O)[O-])(C3)C2 217464795 PRQZSDWFVWBTCH-FNFFVJSTSA-N 268.313 1.670 70 40 CDIB Cn1nc(C(C)(C)C)cc1OS(=O)(=O)C(F)(F)F 575423921 TYVKUSMWXGEDKP-UHFFFAOYSA-N 286.275 1.946 70 40 CDIB CCO[C@H](C)Cn1cc(S(=O)(=O)Cl)cn1 103701290 MMOHAJFPQOJPON-SSDOTTSWSA-N 252.723 1.236 70 40 CDIB O=c1c2cccc(S(=O)(=O)Cl)c2nc2n1CCCC2 256055262 ZYXQDNGNZSUBFO-UHFFFAOYSA-N 298.751 1.660 70 40 CDIB CC(C)n1cnc2ccc(S(=O)(=O)Cl)cc2c1=O 105659363 WWDFBRQTYHQZOC-UHFFFAOYSA-N 286.740 1.905 70 40 CDIB O=C1N[C@@H](CF)Cc2ccc(S(=O)(=O)Cl)cc21 100135930 PTBHATGROQLQBV-SSDOTTSWSA-N 277.704 1.238 70 40 CDIB CN1C(=O)CS[C@H]1c1cn(Cc2ccccc2F)nn1 216751749 AFEQZDPVTYWIRM-ZDUSSCGKSA-N 292.339 1.669 70 40 CDIB CN1CCC[C@H](C(=O)NCCSCc2ccco2)C1 216907314 YSKPYNSERQMQPR-LBPRGKRZSA-N 282.409 1.971 70 40 CDIB CCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1 100509653 AVBCZUGVLMGKCL-UHFFFAOYSA-N 297.785 1.684 70 40 CDIB CS(=O)(=O)N(CC(=N)N)c1ccccc1Cl 217348080 CRLGHPZGVGIDEB-UHFFFAOYSA-N 261.734 1.042 70 40 CDIB Cc1nc(C(F)(F)F)nc(O)c1CC(=O)N(C)C 217598173 AYCWDLRQIZYDFS-UHFFFAOYSA-N 263.219 1.140 70 40 CDIB [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2[C@@H]1O 79129167 SFOSXCMICRJFFG-JTQLQIEISA-N 270.697 1.314 70 40 CDIB O=S(=O)(/C=C/c1ccccc1)N1CC(n2ccnn2)C1 217713604 FFDJJSNHDOYIAY-RMKNXTFCSA-N 290.348 1.136 70 40 CDIB C[C@@H]1CN(C[C@@H]2CCCN2c2ncccn2)C[C@@H](C)O1 160462868 DOGPHANFVICORJ-MCIONIFRSA-N 276.384 1.555 70 40 CDIB CCOCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217807369 OPYKVWVMPKHEFK-NSHDSACASA-N 293.367 1.765 70 40 CDIB COC(=O)c1ccc(C[C@H]2CNC(=O)OC2)s1 218691590 XPENLXMQAJDQCP-ZETCQYMHSA-N 255.295 1.433 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2cccc(F)c2)C1 217564181 YXHXCZWKBDGFQR-LBPRGKRZSA-N 297.351 1.946 70 40 CDIB COC(=O)CCc1cccc(S(=O)(=O)Cl)c1 103691600 HGJPATQKPDYUMU-UHFFFAOYSA-N 262.714 1.720 70 40 CDIB O=c1cccc2c(OS(=O)(=O)C(F)(F)F)cccn12 100644694 IQTXCWJIJUZBQP-UHFFFAOYSA-N 293.222 1.528 70 40 CDIB O=S(=O)(Cl)c1ccc(Br)nc1 100093810 ILKASQDZWIHVOO-UHFFFAOYSA-N 256.508 1.772 70 40 CDIB in-vitro O=C(c1cccc(F)c1)N1CC(N2C(=O)CSC2=O)C1 217746295 IQPBHUHAJFGUQI-UHFFFAOYSA-N 294.307 1.346 70 40 CDIB CC[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C 169976079 AUOXZXJFAIJLLR-UHFFFAOYSA-N 282.637 1.945 70 40 CDIB CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 59222032 CXWJULIUIKXPBV-UHFFFAOYSA-N 282.148 1.969 70 40 CDIB Cc1c([N+](=O)[O-])cc(S(=O)(=O)F)c(C)c1[N+](=O)[O-] 100550381 FWYRGPZHJPEYBJ-UHFFFAOYSA-N 278.217 1.778 70 40 CDIB O=c1[nH]c2ccccc2n1CCCS(=O)(=O)Cl 110752723 JMJWQMSABLFUHN-UHFFFAOYSA-N 274.729 1.288 70 40 CDIB CC(=O)N1CCC[C@H](c2nnc(-c3cnc(C)nc3)o2)C1 216658046 XHPBINPGLWADDK-NSHDSACASA-N 287.323 1.561 70 40 CDIB CN1C(=O)CCCc2cc(S(=O)(=O)Cl)ccc21 211834776 FRLLNSRCUSKNOM-UHFFFAOYSA-N 273.741 1.913 70 40 CDIB O=S(=O)(OCCCOC(F)(F)F)C(F)(F)F 97949937 ATRMBSWMSGIVLD-UHFFFAOYSA-N 276.154 1.779 70 40 CDIB CCc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)s1 217713920 IDKPKJXIOWBTOJ-UHFFFAOYSA-N 298.393 1.148 70 40 CDIB CC(=O)N1CCc2ccc(S(=O)(=O)Cl)cc2CC1 100638730 HDYXOGXOWXWJHV-UHFFFAOYSA-N 287.768 1.561 70 40 CDIB Nc1c([N+](=O)[O-])cc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 110167118 QPPCKCYMESOOPN-UHFFFAOYSA-N 281.633 1.013 70 40 CDIB CCOC(=O)c1[nH]nc2c1C[C@H](NC(=O)OC(C)(C)C)C2 217917723 LWSVFVANDQKWQI-QMMMGPOBSA-N 295.339 1.578 70 40 CDIB CC(C)(C)C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217605431 VZIRSIOYRMEGHM-UHFFFAOYSA-N 290.367 1.202 70 40 CDIB O=C(O)[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1 103590467 JVJUVFKBQUASSB-MRVPVSSYSA-N 262.670 1.002 70 40 CDIB O=S(=O)(Cl)N1CCC[C@@H](C(F)(F)F)C1 108312151 ZUCVSILJXILSOY-RXMQYKEDSA-N 251.657 1.744 70 40 CDIB CS(=O)(=O)N(CC(=N)N)c1cccc(C(F)(F)F)c1 217350144 XGGKERKEPWNUGG-UHFFFAOYSA-N 295.286 1.407 70 40 CDIB Cc1nnsc1C(=O)NCC[C@H](O)c1ccsc1 217524996 ZOXWHDIMGYGGAZ-VIFPVBQESA-N 283.378 1.762 70 40 CDIB COc1ccc(CN(C)C(=O)[C@H]2CCCN(C)C2)cc1 216910946 HBDLMHUNRWHJKO-AWEZNQCLSA-N 276.380 1.995 70 40 CDIB Cn1cc(S(=O)(=O)Cl)c(Br)n1 212617104 LRAIKAPRQUBEQH-UHFFFAOYSA-N 259.512 1.110 70 40 CDIB in-vitro NC(=O)c1cc(C(F)(F)F)n(-c2ccccc2)n1 217599709 SPPPJUBNJHASSR-UHFFFAOYSA-N 255.199 1.990 70 40 CDIB O=C(On1nnc2ccccc2c1=O)c1ccccc1 8431011 MHAJVGQBCLUABD-UHFFFAOYSA-N 267.244 1.061 70 40 CDIB Cc1cc(C[C@H](C)NC(=O)Nc2cccn(C)c2=O)n[nH]1 160759873 YLQAAJNHXKBVQL-VIFPVBQESA-N 289.339 1.170 70 40 CDIB CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cl 642882522 HGLRMUKBRQXISA-MRVPVSSYSA-N 252.719 1.597 70 40 CDIB O=S(=O)(Cl)c1cnn(C2CCOCC2)c1 100458842 LTPLOYIMKPBLRK-UHFFFAOYSA-N 250.707 1.162 70 40 CDIB in-vitro COC(=O)c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 100072127 QSCZSBGBDORDGM-UHFFFAOYSA-N 279.657 1.309 70 40 CDIB CC(C)[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C(=O)N1 103704935 QWUZWAIMLMVWOP-LLVKDONJSA-N 287.768 1.925 70 40 CDIB CC(C)COc1ccc(C(N)=S)cc1C(N)=S 217376484 LPSLBTBUAGKOJQ-UHFFFAOYSA-N 268.407 1.990 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)C(C)(C)C)C1 217550361 SGLDEDRGHWRPLQ-SECBINFHSA-N 259.371 1.540 70 40 CDIB COc1ccc(S(=O)(=O)Cl)cc1CN(C)C(C)=O 110749341 XEVPELLMWBBULF-UHFFFAOYSA-N 291.756 1.601 70 40 CDIB Cc1ccc(S(=O)(=O)[C@H]2C[C@@H]2C(N)=S)cc1 217994786 UDBGWPCFMTXLGP-UWVGGRQHSA-N 255.364 1.443 70 40 CDIB CCc1nc(-c2ccc(S(=O)(=O)Cl)o2)no1 100004417 CNCXVOXYCDBRBZ-UHFFFAOYSA-N 262.674 1.820 70 40 CDIB O=C(NCCC(=O)N1CCCCCC1)Nc1ncco1 160028273 FMPIQMAQPPKLGY-UHFFFAOYSA-N 280.328 1.589 70 40 CDIB Cn1cccc1[C@@H](O)CCNC(=O)[C@@H]1CC=CCC1 217938021 NXIKQKVWWDJEAH-OCCSQVGLSA-N 262.353 1.921 70 40 CDIB O=S(=O)(F)c1ccc(Cl)c(S(=O)(=O)F)c1 102935894 KAJXXRTUROEFHE-UHFFFAOYSA-N 276.669 1.656 70 40 CDIB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(C)C2)cc1 216910925 HBDLMHUNRWHJKO-CQSZACIVSA-N 276.380 1.995 70 40 CDIB Nc1ncc(Br)cc1S(=O)(=O)Cl 100099001 DMQJKPQOXFIXFG-UHFFFAOYSA-N 271.523 1.354 70 40 CDIB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1cccc(OC)c1 217601951 CZBQHBPZUBGBNM-CHWSQXEVSA-N 293.319 1.098 70 40 CDIB CCC(=O)Nc1ncc(S(=O)(=O)Cl)s1 100634602 BWXHXBUEGSRQQR-UHFFFAOYSA-N 254.720 1.419 70 40 CDIB CC[C@@H](C)n1cc(S(=O)(=O)Cl)c(COC)n1 408715178 DDGLGDGXRQFUQX-SSDOTTSWSA-N 266.750 1.928 70 40 CDIB COc1cc(S(=O)(=O)Cl)cc(OC)c1OC 59075521 MQSMMBMVEDEDQR-UHFFFAOYSA-N 266.702 1.640 70 40 CDIB C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(F)cn2)C[C@@H](C)O1 160483459 SUYFQZWCEHGYBX-BZPMIXESSA-N 294.374 1.694 70 40 CDIB CCCn1ncc(S(=O)(=O)Cl)c1COC 408716480 NOBQFMPHUHJYFP-UHFFFAOYSA-N 252.723 1.367 70 40 CDIB C[C@H]1CCc2cc(C(=O)N3CCOCC3)ccc2N1 217516540 XVOWBKZLHFPIBR-NSHDSACASA-N 260.337 1.906 70 40 CDIB O=S(=O)(Nc1cnn(CC2CCOCC2)c1)C1CC1 218243636 XQZOVQWVZGYAAM-UHFFFAOYSA-N 285.369 1.214 70 40 CDIB CC(C)COCc1nn(CCF)cc1S(=O)(=O)Cl 408715615 XHGWMZCTGDFOTB-UHFFFAOYSA-N 298.767 1.953 70 40 CDIB Cc1ccc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(N)c1 217779405 HECDBYGUWPUNGG-RYUDHWBXSA-N 262.353 1.756 70 40 CDIB COc1cccc(-c2nc3c(c(=O)[nH]2)CN(C)CC3)c1 216845574 MQCPLUNCFORJIL-UHFFFAOYSA-N 271.320 1.433 70 40 CDIB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Cl)OCCCO2 98050249 XRDCWJOKVBILGR-UHFFFAOYSA-N 293.684 1.684 70 40 CDIB CCS(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1 217996317 FNLKRAXZZGBAIW-ZDUSSCGKSA-N 283.349 1.580 70 40 CDIB Cc1ncncc1-c1nnc(C2CCN(C=O)CC2)o1 216641182 RXDOFRYSFYLCRO-UHFFFAOYSA-N 273.296 1.171 70 40 CDIB Cc1c(S(=O)(=O)Cl)c(C(F)(F)F)nn1C 100551111 SPJVLXRHVVOZDR-UHFFFAOYSA-N 262.640 1.675 70 40 CDIB CS(=O)(=O)NCc1ccc([C@H](O)c2ccccc2)s1 217547991 JRQNGZINPXNGSQ-CYBMUJFWSA-N 297.401 1.879 70 40 CDIB O=C(c1ccc(-n2cccc2)cc1)N1CC(n2ccnn2)C1 217713271 ZTCQPNFVSIGIDD-UHFFFAOYSA-N 293.330 1.766 70 40 CDIB CCN(CC)C(=O)Cc1cc(OC)c(OC)cc1N 217669519 FEACTJHOJLXYTI-UHFFFAOYSA-N 266.341 1.697 70 40 CDIB Cc1cccc(C(=O)NCC[C@H](O)C2CCOCC2)c1 217913234 XROIAORLCVDDQO-HNNXBMFYSA-N 277.364 1.902 70 40 CDIB CN1CCC(CC(=O)N(C)[C@@H]2CCCC[C@H]2O)CC1 216902930 ZHHXILPDPZRXTP-ZIAGYGMSSA-N 268.401 1.480 70 40 CDIB CCOCc1nn(CCF)cc1S(=O)(=O)Cl 408715546 WADYPEHYOIFPIL-UHFFFAOYSA-N 270.713 1.317 70 40 CDIB COCc1c(S(=O)(=O)Cl)cnn1CC(C)C 408716402 MPMIQHAUHRIDQU-UHFFFAOYSA-N 266.750 1.613 70 40 CDIB CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1 100010266 LNPFTAQJRNOWIQ-UHFFFAOYSA-N 277.729 1.129 70 40 CDIB COC(=O)C(=O)c1ccccc1CBr 34347725 IGIHEUUYEWVQHZ-UHFFFAOYSA-N 257.083 1.937 70 40 CDIB O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C(F)(F)F 166055255 MLUAXAYJASIOBN-UHFFFAOYSA-N 289.162 1.962 70 40 CDIB Cc1cc(OC2CN(C(=O)c3cnoc3C)C2)cc(=O)o1 217752121 PBIPGBKRCIARRA-UHFFFAOYSA-N 290.275 1.148 70 40 CDIB CCn1ncc(S(=O)(=O)Cl)c1C(F)(F)F 97965345 BEMFVPXREPJSEQ-UHFFFAOYSA-N 262.640 1.849 70 40 CDIB CC(C)Cc1noc(CN[C@@H]2CCCCC[C@H]2C(N)=O)n1 159728386 TXXBLQSVDMJJCA-VXGBXAGGSA-N 294.399 1.792 70 40 CDIB O=S(=O)(F)Oc1c(F)c(F)c(F)c(F)c1F 103624582 MXWPDIDUHXNAEL-UHFFFAOYSA-N 266.118 1.975 70 40 CDIB COc1ccc(C(=O)NCC[C@H](O)C2CCOCC2)cc1 217915124 GFIKZVLZYMZMJX-HNNXBMFYSA-N 293.363 1.603 70 40 CDIB COC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl 100857861 DMDFUZUADFXYOW-UHFFFAOYSA-N 299.131 1.819 70 40 CDIB O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCC2)cc1 100894059 KDHISFOFEMBARI-UHFFFAOYSA-N 295.769 1.009 70 40 CDIB COC(=O)c1cnc(Cl)c(S(=O)(=O)Cl)c1 59530751 BVGDXONOOZWPND-UHFFFAOYSA-N 270.093 1.449 70 40 CDIB CCS(=O)(=O)NCCn1nc(-c2cccs2)cc1C 217876536 YXVOVGQPBBSLOE-UHFFFAOYSA-N 299.421 1.859 70 40 CDIB CN1CCC(C(=O)NCCCN2CCCCCC2)CC1 216921897 YCOUHZYGOCQVNL-UHFFFAOYSA-N 281.444 1.711 70 40 CDIB CCCOC(=O)Cc1cc(OC)c(OC)cc1N 217675120 AGJFOYUYPFDZQU-UHFFFAOYSA-N 253.298 1.782 70 40 CDIB Nn1c(SCc2cccnc2)nnc1C(F)F 216903096 YYPXVCVOEQRIFZ-UHFFFAOYSA-N 257.269 1.617 70 40 CDIB COC(CN1CCO[C@@H](c2ccccc2C)C1)OC 161245160 GALMQZHJWJLNAJ-CQSZACIVSA-N 265.353 1.987 70 40 CDIB O=[N+]([O-])c1c(F)cccc1OS(=O)(=O)C(F)(F)F 166965456 PLHSHROOIQMOFI-UHFFFAOYSA-N 289.162 1.962 70 40 CDIB Cc1cc(F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-] 59266835 GSSIFRYQZIGGIQ-UHFFFAOYSA-N 253.638 1.970 70 40 CDIB in-vitro Cc1nn(CC(F)F)c(C)c1S(=O)(=O)Cl 100783922 VMAOVLJJGFIXBB-UHFFFAOYSA-N 258.677 1.693 70 40 CDIB O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)C(F)(F)F 112985229 XIFGGNHOGIRZDW-UHFFFAOYSA-N 289.162 1.962 70 40 CDIB CN1[C@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1CCC2 149897856 WEMQJMMHUYRSAJ-HTQZYQBOSA-N 285.287 1.993 70 40 CDIB Cc1cc(N2CCC[C@H]2CN2CCOCC2)ncn1 160400438 CLPYXGCTDFDVPG-ZDUSSCGKSA-N 262.357 1.086 70 40 CDIB Cc1noc(C)c1CC(=O)NCCSC1CCOCC1 217705552 UZHJBQYTNPAHIG-UHFFFAOYSA-N 298.408 1.862 70 40 CDIB COc1nn(C)cc1C(=O)Nc1ccn2nccc2c1 217956103 WJYBSWWFRQLTDS-UHFFFAOYSA-N 271.280 1.329 70 40 CDIB C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(C)C2)C1 216912434 SFSMMQCVGZEYTF-HRCADAONSA-N 295.471 1.812 70 40 CDIB Cc1noc(C)c1C(=O)NCCSC1CCOCC1 217705663 UOPQCZSPEOVFII-UHFFFAOYSA-N 284.381 1.933 70 40 CDIB O=S(=O)(Cl)N1CCC[C@H](C(F)(F)F)C1 108312155 ZUCVSILJXILSOY-YFKPBYRVSA-N 251.657 1.744 70 40 CDIB O=C1CC[C@H](C(=O)Oc2c(F)c(F)c(F)c(F)c2F)N1 101462996 ZKWANACRJCJAMX-GSVOUGTGSA-N 295.163 1.566 70 40 CDIB COCCOc1ccc(C#N)cc1S(=O)(=O)Cl 166103555 UTZVSJFDIHXEKG-UHFFFAOYSA-N 275.713 1.511 70 40 CDIB CCCn1ncc(S(=O)(=O)Cl)c1COCC 408717073 VMQHRGOGRISZTA-UHFFFAOYSA-N 266.750 1.757 70 40 CDIB Cc1ncncc1-c1nnc([C@H]2CCCN(C=O)C2)o1 216664513 YBDMPPDULYYLKS-JTQLQIEISA-N 273.296 1.171 70 40 CDIB O=S(=O)(Cl)N1CCN(c2ccccc2Cl)CC1 59079693 GRJFRCSDSMZJBM-UHFFFAOYSA-N 295.191 1.946 70 40 CDIB O=C(c1cc(=O)c2ccccc2o1)N1CC(n2ccnn2)C1 217713164 IHFXWMHVQFSMKR-UHFFFAOYSA-N 296.286 1.082 70 40 CDIB COC(=O)c1ccc(S(=O)(=O)Cl)cc1F 100455096 OIDVZJLIQTVDQR-UHFFFAOYSA-N 252.650 1.540 70 40 CDIB in-vitro CC(C)CC(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217613456 JQQDCIGXDFYEQR-UHFFFAOYSA-N 290.367 1.202 70 40 CDIB Cc1ccc(S(=O)(=O)Cl)c(C)c1OCC(=O)O 100614961 NYYCVCUBZGTFST-UHFFFAOYSA-N 278.713 1.694 70 40 CDIB in-vitro COc1cc(N)c(CC(=O)NC(C)(C)C)cc1OC 217669982 JAAZGWPHGAGYBM-UHFFFAOYSA-N 266.341 1.743 70 40 CDIB COCc1nn(CC(F)F)cc1S(=O)(=O)Cl 408715625 XVRTYMXUGLGPLX-UHFFFAOYSA-N 274.676 1.222 70 40 CDIB CN1CCC[C@@H](C(=O)N2CC(=O)Nc3ccccc32)C1 216909824 ZHEPTZGPBWQTEF-LLVKDONJSA-N 273.336 1.314 70 40 CDIB CCCCOC(=O)c1ccc(NC(=O)CC(=N)N)cc1 217752802 OXHMKOVIPPQOQD-UHFFFAOYSA-N 277.324 1.908 70 40 CDIB Cc1noc(C)c1Cn1ncn2nc3c(c2c1=O)CCCC3 217495461 QOJYFNVKXOUZIC-UHFFFAOYSA-N 299.334 1.423 70 40 CDIB CCC(=O)N1C[C@@H](Oc2ccccc2F)C[C@H]1C(=O)OC 217868819 BOKDVCOQWUNOSP-JQWIXIFHSA-N 295.310 1.757 70 40 CDIB COc1ccc(C(=O)N2CCC[C@H](C(=N)N)C2)cc1 217359213 WBBVYPRZLKAZAK-NSHDSACASA-N 261.325 1.483 70 40 CDIB CS(=O)(=O)N(CC(=N)N)c1ccc(C(F)(F)F)cc1 217347728 YKWNCPQLYPOXKY-UHFFFAOYSA-N 295.286 1.407 70 40 CDIB Cn1cccc(C(=O)NCC[C@H](O)c2ccsc2)c1=O 217526373 WCAAYPWQHCEVCC-LBPRGKRZSA-N 292.360 1.300 70 40 CDIB O=C(c1cccc(S(=O)(=O)Cl)c1)N1CCOCC1 59307561 ATOOEZUOKIDGAU-UHFFFAOYSA-N 289.740 1.087 70 40 CDIB in-vitro CCCOCc1nn(C)cc1S(=O)(=O)Cl 408715523 VGWLMWNTEWTNTG-UHFFFAOYSA-N 252.723 1.274 70 40 CDIB CC(C)COCc1nn(C)cc1S(=O)(=O)Cl 408715431 NTUXVPAASAHPLX-UHFFFAOYSA-N 266.750 1.520 70 40 CDIB CCOC(=O)c1c(O)c(=O)[nH]c2ccc(CC)cc12 218309413 CCNLFSUUQXSHNB-UHFFFAOYSA-N 261.277 1.973 70 40 CDIB CCC(=O)N1C[C@H](Oc2ccccc2F)C[C@@H]1C(=O)OC 217868529 BOKDVCOQWUNOSP-ZYHUDNBSSA-N 295.310 1.757 70 40 CDIB CCCn1cc(S(=O)(=O)Cl)cc1C(=O)OC 110756102 XHIUCQFNDPMIKD-UHFFFAOYSA-N 265.718 1.612 70 40 CDIB CN1CCC[C@H](C(=O)Nc2ccccc2C(N)=O)C1 216911036 ZHBZMVLPALFFSE-JTQLQIEISA-N 261.325 1.066 70 40 CDIB C[C@H](NC(=O)CC(=N)N)c1ccc(Br)cc1 217754011 XOIDFGCERKJGDQ-ZETCQYMHSA-N 284.157 1.952 70 40 CDIB O=[N+]([O-])c1cnc(Cl)c(S(=O)(=O)Cl)c1 217036561 FNUOJWVXAFKPJE-UHFFFAOYSA-N 257.054 1.571 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cccs2)C1 217551307 LTAHMFCTVSMBTC-SECBINFHSA-N 285.390 1.869 70 40 CDIB CCn1cc(S(=O)(=O)Cl)c(COC(C)C)n1 408715406 MKSPJAIUKGYKOV-UHFFFAOYSA-N 266.750 1.756 70 40 CDIB COc1cccc(C(=O)N2CCC[C@@H](C(=N)N)C2)c1 217359312 VSJGPZACNHUJBV-LLVKDONJSA-N 261.325 1.483 70 40 CDIB CCCNC(=O)Cc1cc(OC)c(OC)cc1N 217669646 VUPOSDXVLXBYPL-UHFFFAOYSA-N 252.314 1.355 70 40 CDIB NNc1nc2cc3sc(NN)nc3cc2s1 216754610 WBKQQCLJFILFQB-UHFFFAOYSA-N 252.328 1.477 70 40 CDIB Cc1cc(C(=O)NCCSC2CCOCC2)no1 217699017 DESBBDWSRRFPJI-UHFFFAOYSA-N 270.354 1.625 70 40 CDIB O=C(Nc1ccccn1)[C@H]1CC[C@H](Cn2cnnn2)CC1 218267918 OLCJTBOECWPNMK-TXEJJXNPSA-N 286.339 1.513 70 40 CDIB Nn1c(SCc2cccnc2)nnc1C(F)(F)F 216861136 XALIHZJHVPKDLW-UHFFFAOYSA-N 275.259 1.698 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)C(C)(C)C)C1 217550274 SGLDEDRGHWRPLQ-VIFPVBQESA-N 259.371 1.540 70 40 CDIB COc1ccc(S(=O)(=O)Cl)cc1NC(=O)CCl 95698311 VBLSXARMGHSEEO-UHFFFAOYSA-N 298.147 1.800 70 40 CDIB N=C(N)CC(=O)Nc1ccccc1Br 217744207 HRGBANVXPBTXGC-UHFFFAOYSA-N 256.103 1.714 70 40 CDIB CC[C@@H](Nc1ccc(Cn2cncn2)cc1)C(=O)OC 159488532 FGPHOPVKARCFEH-CYBMUJFWSA-N 274.324 1.690 70 40 CDIB NNc1nn2c(CSc3ccccc3)nnc2s1 216760879 QKKSAMMEYRVCAO-UHFFFAOYSA-N 278.366 1.764 70 40 CDIB Cc1noc(C)c1C(=O)NCC[C@@H](O)C1CCOCC1 217922443 IQTBMVIJOQJXLH-GFCCVEGCSA-N 282.340 1.199 70 40 CDIB O=C([C@@H]1COc2ccccc2O1)N1CCc2oncc2C1 217692084 OFBGEJVACIBQAX-AWEZNQCLSA-N 286.287 1.399 70 40 CDIB COc1ccc(OCCS(=O)(=O)Cl)cc1 100488474 HESVPAQVZZIIBY-UHFFFAOYSA-N 250.703 1.643 70 40 CDIB CCCOCc1nn(CCF)cc1S(=O)(=O)Cl 408715603 WNXIZEDBCMRZEL-UHFFFAOYSA-N 284.740 1.707 70 40 CDIB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)C1CC1 217978996 YVDKMYNINDLINO-LBPRGKRZSA-N 288.303 1.233 70 40 CDIB CCS(=O)(=O)N(CC(=N)N)c1cccc(C)c1 217348747 KIEQRFXAZYHHJF-UHFFFAOYSA-N 255.343 1.087 70 40 CDIB COC[C@](C)(O)CNC(=O)Cc1c(F)cccc1Cl 217570433 PTBRPIIAXIDKPX-CYBMUJFWSA-N 289.734 1.535 70 40 CDIB COC(=O)CS[C@H]1CCN(C(=O)c2ccccc2F)C1 217551939 ZCXLDCJOXYKAAV-JTQLQIEISA-N 297.351 1.946 70 40 CDIB CCOC(=O)c1c(CBr)c(C)nn1C 147197877 DYOBCGBVXCODKN-UHFFFAOYSA-N 261.119 1.800 70 40 CDIB O=C(NC1CCCCC1)N1CC[C@H](n2ccnn2)C1 217688921 NCWHDIDBJLERQE-LBPRGKRZSA-N 263.345 1.567 70 40 CDIB CCCCNC(=O)Cc1cc(OC)c(OC)cc1N 217669872 AUVQMEARGNFJTM-UHFFFAOYSA-N 266.341 1.745 70 40 CDIB CCn1nc(C(F)(F)F)cc1S(=O)(=O)Cl 100804883 YZEFWUROVURYRI-UHFFFAOYSA-N 262.640 1.849 70 40 CDIB CCCNc1ccc(N)cc1C(=O)N1CCOCC1 217679034 PLKRFEACXGTJEA-UHFFFAOYSA-N 263.341 1.563 70 40 CDIB CNC(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1 95697900 PXASBWYNKYBXFK-UHFFFAOYSA-N 262.718 1.674 70 40 CDIB CCn1nnnc1-c1cccc(S(=O)(=O)Cl)c1 103604082 AKOLYROSRKHBRY-UHFFFAOYSA-N 272.717 1.288 70 40 CDIB COCc1c(S(=O)(=O)Cl)cnn1CC(F)F 408716804 RDJSTJFQQPUHDW-UHFFFAOYSA-N 274.676 1.222 70 40 CDIB O=C(NCC[C@H](O)C1CCOCC1)c1c(F)cccc1F 217915489 GRBMDDZNYMEJLV-ZDUSSCGKSA-N 299.317 1.872 70 40 CDIB COCc1nn(C(C)C)cc1S(=O)(=O)Cl 408715649 YTFJPTXSPOYIBN-UHFFFAOYSA-N 252.723 1.538 70 40 CDIB COCCn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 103693268 JWXAHCJYXIMLID-UHFFFAOYSA-N 291.712 1.168 70 40 CDIB NC(=S)C1(S(=O)(=O)c2cccs2)CCOCC1 217932575 XLNOHDHQJDJOLG-UHFFFAOYSA-N 291.419 1.357 70 40 CDIB COc1ccccc1CN(C)C(=O)[C@H]1CCCN(C)C1 216916224 NRGNCXAYGXUMCM-AWEZNQCLSA-N 276.380 1.995 70 40 CDIB COc1ccccc1NC(=O)N1CC[C@@H](n2ccnn2)C1 217689327 JJFNJAFUNZEXGF-LLVKDONJSA-N 287.323 1.766 70 40 CDIB O=C(O)[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1 103590473 JVJUVFKBQUASSB-QMMMGPOBSA-N 262.670 1.002 70 40 CDIB COc1cc2c(cc1OC)CN(Cc1nncn1C)CC2 160682488 JCMIDUVJFLWQST-UHFFFAOYSA-N 288.351 1.391 70 40 CDIB CC(C)Cc1noc(CN[C@@H]2CCCCC[C@@H]2C(N)=O)n1 159728126 TXXBLQSVDMJJCA-NWDGAFQWSA-N 294.399 1.792 70 40 CDIB CS(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1F 100588814 RLXOANSRXCHLPD-UHFFFAOYSA-N 272.706 1.157 70 40 CDIB in-vitro CCN1C(=O)Cc2cc(S(=O)(=O)Cl)ccc21 100062119 JWCKHOWQELWOIR-UHFFFAOYSA-N 259.714 1.523 70 40 CDIB Cc1cc(C[C@@H](C)NC(=O)Nc2cccn(C)c2=O)n[nH]1 160759779 YLQAAJNHXKBVQL-SECBINFHSA-N 289.339 1.170 70 40 CDIB CCOC(=O)c1cc(S(=O)(=O)Cl)ccc1F 59233862 BMQDSKFCJIXCIF-UHFFFAOYSA-N 266.677 1.930 70 40 CDIB in-vitro CC(C)Cc1noc(CN[C@H]2CCCCC[C@@H]2C(N)=O)n1 159728268 TXXBLQSVDMJJCA-RYUDHWBXSA-N 294.399 1.792 70 40 CDIB O=C(NCCS(=O)(=O)Cl)OCc1ccccc1 100459495 CRVCWUXOKRGDGD-UHFFFAOYSA-N 277.729 1.481 70 40 CDIB CCc1c(S(=O)(=O)Cl)c(C(=O)O)nn1CC 103635757 UPXXWECYBGINGP-UHFFFAOYSA-N 266.706 1.091 70 40 CDIB CC(C)Oc1ccc(S(=O)(=O)Cl)cc1C(N)=O 110749290 YJMQCEFAQUIGRF-UHFFFAOYSA-N 277.729 1.500 70 40 CDIB CCS(=O)(=O)N(CC(=N)N)c1cccc(Cl)c1 217349405 ASMWNEBDLYFVII-UHFFFAOYSA-N 275.761 1.432 70 40 CDIB CC(C)COCCOS(=O)(=O)C(F)(F)F 110753589 GSLPXKBBXVLOAP-UHFFFAOYSA-N 250.238 1.525 70 40 CDIB CCNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95698099 TTWHWKUINJLHPC-UHFFFAOYSA-N 262.718 1.756 70 40 CDIB CN(C)C(=O)CCCc1cnc(C(F)(F)F)nc1O 217598063 JZJSOWREWNKZRL-UHFFFAOYSA-N 277.246 1.612 70 40 CDIB COc1cc(N)c(CC(=O)NC2CC2)cc1OC 217670384 LRWPOKAVYUJAKX-UHFFFAOYSA-N 250.298 1.107 70 40 CDIB CN1C(=O)CS[C@H]1c1cn(Cc2ccccc2)nn1 216750994 NYMIBFQYUBXKRY-ZDUSSCGKSA-N 274.349 1.530 70 40 CDIB CCOCC(=O)NC[C@@H]1CCCN(c2nccs2)C1 218111535 RNYNAVJHNIZLIK-NSHDSACASA-N 283.397 1.512 70 40 CDIB COc1cc2c(cc1S(=O)(=O)Cl)NC(=O)C2 104228212 BLTIHYWSNFPXNF-UHFFFAOYSA-N 261.686 1.117 70 40 CDIB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H]2C=CC[C@H]1CC2 218762273 YIKOJZRCNDRHMP-RYUDHWBXSA-N 281.381 1.519 70 40 CDIB O=C(O)c1cc2c(c(S(=O)(=O)Cl)c1)CCC2 100586419 WUAURUXLBQZWSG-UHFFFAOYSA-N 260.698 1.801 70 40 CDIB in-vitro CCN1C(=O)COc2ccc(S(=O)(=O)Cl)cc21 100908507 DYHVLWIPNQCCNW-UHFFFAOYSA-N 275.713 1.359 70 40 CDIB O=C(OCc1ccccc1)N1CC(S(=O)(=O)Cl)C1 100630295 NUARHOWMZKPZDM-UHFFFAOYSA-N 289.740 1.576 70 40 CDIB in-vitro O=C(O)COC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 110167062 LRHUBMPJCICYPB-UHFFFAOYSA-N 293.684 1.247 70 40 CDIB CCCCCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O 100456554 ZPDOEYYJRGEGRI-UHFFFAOYSA-N 294.760 1.044 70 40 CDIB in-vitro O=C(NCC[C@@H](O)c1ccsc1)C(=O)NC1CCCC1 217540417 CJNXRDWGFZWIJG-GFCCVEGCSA-N 296.392 1.347 70 40 CDIB CN1CCC(Oc2ccc(NS(C)(=O)=O)cc2)CC1 216941037 UHZHHMYHHADXEB-UHFFFAOYSA-N 284.381 1.531 70 40 CDIB Cn1cccc1[C@H](O)CCNC(=O)[C@@H]1CC=CCC1 217937937 NXIKQKVWWDJEAH-TZMCWYRMSA-N 262.353 1.921 70 40 CDIB CCOc1ccc(C(=O)NC)cc1S(=O)(=O)Cl 114560018 AWMHGRCKEIFHCH-UHFFFAOYSA-N 277.729 1.372 70 40 CDIB Cc1csc(C(=O)NCC[C@H](O)C2CCOCC2)c1 217913791 GJJLVFXHRVTEOW-LBPRGKRZSA-N 283.393 1.964 70 40 CDIB COCC(=O)NC[C@](C)(O)c1cc2ccccc2o1 217982863 FPCZMLYHSNNSSR-AWEZNQCLSA-N 263.293 1.403 70 40 CDIB COC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 217994143 VKYBKTUPRKTLQH-AAEUAGOBSA-N 299.417 1.460 70 40 CDIB CN1CCc2nc(-c3ccccc3F)[nH]c(=O)c2C1 216845493 SJTWOCHSPHNGNL-UHFFFAOYSA-N 259.284 1.564 70 40 CDIB Cc1cc(F)c(N)cc1OS(=O)(=O)C(F)(F)F 103631730 LNFDYABOFBDTDJ-UHFFFAOYSA-N 273.207 1.945 70 40 CDIB Cc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)Cl 100141075 CLMMQDZNOXYEBU-UHFFFAOYSA-N 289.161 1.850 70 40 CDIB COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl 97971338 ZPTIZFCHBWTYSC-UHFFFAOYSA-N 279.657 1.309 70 40 CDIB in-vitro CCOC(=O)c1csc(S(=O)(=O)Cl)c1 59262137 KUWKVKATPUXMQG-UHFFFAOYSA-N 254.716 1.852 70 40 CDIB N=C(N)CC(=O)Nc1ccc(Br)cc1F 217746100 ODIFRMBILJYFNS-UHFFFAOYSA-N 274.093 1.853 70 40 CDIB CC(C)CN(CC(=N)N)S(=O)(=O)c1ccc(F)cc1 217351732 MSVWNIQLXUHZQR-UHFFFAOYSA-N 287.360 1.408 70 40 CDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cc(C)on2)C1 217551200 MUOYMLZANOPNPU-SECBINFHSA-N 284.337 1.104 70 40 CDIB Cc1cc2c(cc1S(=O)(=O)Cl)O[C@@H](C)C(=O)N2 100061771 VZZPLYBSZLNVMV-LURJTMIESA-N 275.713 1.642 70 40 CDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cccnc1 218220152 GWVPZTAXQXFNTP-UHFFFAOYSA-N 286.335 1.957 70 40 CDIB Cc1cc(S(=O)(=O)Cl)cc2c1NC(=O)CC2 103604328 ZQHAVISSOYFYOM-UHFFFAOYSA-N 259.714 1.807 70 40 CDIB