smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC[C@@H]1NCC(=O)N1CCOC(C)C 159448720 BXZKIOFETPEFDS-SNVBAGLBSA-N 214.309 0.969 70 10 BCIE C[C@H]1CN(c2ccc(N)nn2)CCN1C 159926986 POKSXKAVPKBRGZ-QMMMGPOBSA-N 207.281 0.199 70 10 BCIE CSC[C@@H](C)N(C)C(=O)[C@H]1CSCN1 160030973 SKENGDCIELRNPQ-HTQZYQBOSA-N 234.390 0.859 70 10 BCIE COCCNCCN(C)[C@@H](C)CSC 160092093 NILLMPBBWPVNJB-JTQLQIEISA-N 220.382 0.906 70 10 BCIE CCSCCN1CCCN(CCO)CC1 160371685 RPTCNXLAUBTFAK-UHFFFAOYSA-N 232.393 0.740 70 10 BCIE COCCSCC(=O)NC1(CO)CCC1 161115374 PNDKNYFLVREMPA-UHFFFAOYSA-N 233.333 0.397 70 10 BCIE CCCNc1ccnc2c1c(=O)[nH]c(=O)n2CC 161291691 XSCNTXBAAKRANA-UHFFFAOYSA-N 248.286 0.927 70 10 BCIE C[C@H](NS(=O)(=O)Cl)[C@H]1CCCO1 167336489 GMTCYLNVCCEXLN-NTSWFWBYSA-N 213.686 0.627 70 10 BCIE Cc1ccc(N2CC[C@H]3CNC[C@@H]32)nn1 216650940 NVWPDMYABUXFTH-UWVGGRQHSA-N 204.277 0.583 70 10 BCIE COc1cccc([C@H]2CS(=O)(=O)C[C@@H]2N)c1 217098725 YLLFGGXLRFFYRH-MNOVXSKESA-N 241.312 0.535 70 10 BCIE NCC1(CS(=O)(=O)c2ccc(O)cc2)CC1 217098933 VWHMISNMPNHNGN-UHFFFAOYSA-N 241.312 0.905 70 10 BCIE COc1cncc(N2CC[C@H]3CNC[C@@H]32)n1 217133021 DAKLUJNXXLPWNF-IUCAKERBSA-N 220.276 0.283 70 10 BCIE COCCOCNC(=O)NCC(C)C 217310916 XIPBKODTNYZAEU-UHFFFAOYSA-N 204.270 0.562 70 10 BCIE CCN1CCN(C[C@]2(O)CCCNCC2)CC1 217356403 AKGFJPKSKBCNES-ZDUSSCGKSA-N 241.379 0.129 70 10 BCIE CCC[C@H](N)CNC(=O)c1ccnnc1 218491825 RRNBFOKMLKSVFQ-VIFPVBQESA-N 208.265 0.334 70 10 BCIE C[C@H]1CCC[C@@H](C)N1NC[C@@H](O)CO 218526940 TVSAUHQOWNYTET-KXUCPTDWSA-N 202.298 0.107 70 10 BCIE COC(=O)CNC(=O)NC=C1CCCC1 218778893 GNZDZZMDKVKIKQ-UHFFFAOYSA-N 212.249 0.917 70 10 BCIE CN1CCC[C@H](C#CS(=O)(=O)Cl)C1 258104867 HKDRQVVVDXRTTL-MRVPVSSYSA-N 221.709 0.858 70 10 BCIE O=C1C[C@@H]([C@H]2CC23CC3)N1S(=O)(=O)Cl 575540076 LGHLVGKJTBUEAC-RITPCOANSA-N 235.692 0.871 70 10 BCIE O=S(=O)(F)[C@@]1(Cl)CCCS1(=O)=O 675067049 XGSQIIAZZAEZGD-SCSAIBSYSA-N 236.673 0.387 70 10 BCIE O=S(=O)(Cl)OC[C@H]1CCCO1 1880202550 PDMABMQJYQRITC-RXMQYKEDSA-N 200.643 0.666 70 10 BCIE O=S(=O)(F)c1cnn(C2COC2)c1 1882341009 XWMGCDLJUUTLJI-UHFFFAOYSA-N 206.198 0.113 70 10 BCIE CO[C@H]1CCN(S(=O)(=O)Cl)[C@@H]1C 1914346477 SBXFAHYNDMHASW-RITPCOANSA-N 213.686 0.579 70 10 BCIE C#CCCC(=O)N1CCC(S(=O)(=O)F)CC1 1936138398 UYZOHNHHPGGCEB-UHFFFAOYSA-N 247.291 0.690 70 10 BCIE O=C1C[C@@H](C=CS(=O)(=O)Cl)CCN1 1952468802 CHGXIGDWZYRHSQ-ZCFIWIBFSA-N 223.681 0.595 70 10 BCIE C[C@@H](Cc1csnn1)S(=O)(=O)F 1953000107 JLIKDBCTIKCKJK-BYPYZUCNSA-N 210.255 0.768 70 10 BCIE CCN1CCC[C@@H](N(C)S(=O)(=O)F)C1 1955505485 VTKYXHWRZNOGHW-MRVPVSSYSA-N 224.301 0.617 70 10 BCIE CC[C@H](NS(=O)(=O)F)[C@@H]1CCCOC1 1955508792 FQUZKJUMSMPOLT-SFYZADRCSA-N 225.285 0.996 70 10 BCIE O=S(=O)(Cl)CCOC[C@H]1CCCOC1 1956962551 MDRRPKKDYDQQKL-QMMMGPOBSA-N 242.724 0.998 70 10 BCIE Cc1cc(C)n(C2CN(S(=O)(=O)F)C2)n1 1961473379 CELDECRJSPGQML-UHFFFAOYSA-N 233.268 0.571 70 10 BCIE O=S(=O)(Cl)c1ncnc2cccnc12 2241221604 GYRJDRVHXVXKGH-UHFFFAOYSA-N 229.648 0.952 70 10 BCIE O=C1[C@H]2CC[C@@H]2S(=O)(=O)N1C[B-](F)(F)F 2241508509 UGQPDRXKBQRGTJ-WHFBIAKZSA-N 242.007 0.324 70 10 BCIE N[C@@H]1CC[C@H]2CN(S(=O)(=O)F)C[C@@H]2C1 2241920729 NJHAXNKBFRANSG-BIIVOSGPSA-N 222.285 0.260 70 10 BCIE C[C@@H]1OCC[C@H]1[C@@H](Cc1nccs1)NN 159711926 MNPRNWKETAAGHF-DJLDLDEBSA-N 227.333 0.943 70 10 BCIE CCOCc1nc(Cl)cc(NCC(N)=O)n1 160042209 PSOFFFODVKXZBC-UHFFFAOYSA-N 244.682 0.564 70 10 BCIE Cn1ccc(CNC(=O)NCC(F)(F)F)n1 160794828 SUQQRVULEAYBGM-UHFFFAOYSA-N 236.197 0.782 70 10 BCIE C[C@@H](c1ccc(O)cc1)N(C)S(N)(=O)=O 161019129 HFWJSVJVJGZLMK-ZETCQYMHSA-N 230.289 0.589 70 10 BCIE Cn1ncc(CC2(S(=O)(=O)Cl)CC2)n1 575461042 VMUIVKGUQWOELW-UHFFFAOYSA-N 235.696 0.459 70 10 BCIE CCOC(=O)c1cnn(C)c1S(=O)(=O)F 675066233 ZPQBDJGUVUFCKM-UHFFFAOYSA-N 236.224 0.255 70 10 BCIE C[C@H]1CCOC[C@@H]1OS(=O)(=O)Cl 1880758726 NXPWABLDUXCJGX-WDSKDSINSA-N 214.670 0.912 70 10 BCIE Cc1nn(C)cc1C[C@H](C)S(=O)(=O)F 1952982359 NMMBCABCBGBVAY-LURJTMIESA-N 220.269 0.959 70 10 BCIE O=S(=O)(F)N(C[C@H]1CCOC1)C1CC1 1956753696 FSGJYWMNKNUPCM-SSDOTTSWSA-N 223.269 0.702 70 10 BCIE CC[C@@H](CCO)N[C@H](C)C(OC)OC 217693755 DWOJCRGOCVTWNK-BDAKNGLRSA-N 205.298 0.744 70 10 BCIE CN(C)CCC1(C)CN(S(=O)(=O)F)C1 1885397464 LXQUCXRWGFRREA-UHFFFAOYSA-N 224.301 0.474 70 10 BCIE CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)F)C1 1958682917 YIXRTNLACULIJC-ZETCQYMHSA-N 238.284 0.001 70 10 BCIE CCN(C)C(=O)CNC[C@H]1CCCCN1 217369867 SYPBMGYPTRGQGW-SNVBAGLBSA-N 213.325 0.196 70 10 BCIE O=C([C@@H]1CCCO1)N1C[C@H]2CNC[C@@H](C2)C1 217414907 GJGPHMNQPIRAEF-MXWKQRLJSA-N 224.304 0.233 70 10 BCIE CC(C)N1CC[C@@H](CN2CC[C@@H](N)C2)C1 218765505 JYSOKCCCZYKLQG-NWDGAFQWSA-N 211.353 0.750 70 10 BCIE CC(C)n1ccc(CC(=O)CS(C)(=O)=O)n1 161327045 KYTRLNQADOKUCK-UHFFFAOYSA-N 244.316 0.620 70 10 BCIE CN1CCC(N(C)C(=O)N[C@@H]2CCOC2)CC1 160297635 PJAYKLZMEYASKC-SNVBAGLBSA-N 241.335 0.511 70 10 BCIE CC[C@@](C)(OC)[C@H](O)Cc1ncnn1C 159539228 IHOMCHRAAHCDSN-PSASIEDQSA-N 213.281 0.534 70 10 BCIE CO[C@@H]1C=C[C@H](NS(=O)(=O)Cl)C1 1880648292 LAORLZLESBWTMT-NTSWFWBYSA-N 211.670 0.403 70 10 BCIE O=C(NS(=O)(=O)Cl)OC(CF)CF 1882519680 WXMRPZYENVFVPY-UHFFFAOYSA-N 237.611 0.504 70 10 BCIE C[C@@H]1CC[C@@H](CN(C)S(=O)(=O)F)O1 1883445522 PBQZQLRAULHGOC-RQJHMYQMSA-N 211.258 0.700 70 10 BCIE CN(CC12COCC(C1)C2)S(=O)(=O)F 2209839302 QOIOXQRADDNGHV-UHFFFAOYSA-N 223.269 0.559 70 10 BCIE O=c1[nH]c2ccc(CS(=O)(=O)Cl)cc2[nH]1 106648986 LNSMAMSAPPOMSZ-UHFFFAOYSA-N 246.675 0.925 70 10 BCIE NNc1ncc(CN2CC[C@H](CCO)C2)s1 159783894 MLRNFCNBNKIWEY-MRVPVSSYSA-N 242.348 0.633 70 10 BCIE C[C@H](CNC(=O)c1n[nH]cc1N)N1CCCC1 160733340 PSYVQYBKTNFBBM-MRVPVSSYSA-N 237.307 0.206 70 10 BCIE COC(=O)[C@H]1CCN(CCSC)C1 160843430 FLMKXBJUNFIIBX-QMMMGPOBSA-N 203.307 0.844 70 10 BCIE COc1nccnc1[C@@H](NN)[C@H]1CCSC1 160891318 PUCNVGBYTKRCDJ-YUMQZZPRSA-N 240.332 0.743 70 10 BCIE C[C@@H]1NCC[C@H]1C(=O)Nc1cccnn1 161090239 FPFMEFSXBALSNZ-JGVFFNPUSA-N 206.249 0.413 70 10 BCIE CCCn1nncc1[C@H](NN)[C@@H]1CO[C@@H](C)C1 161314165 NTDLCROIGSTESO-ATZCPNFKSA-N 239.323 0.618 70 10 BCIE NCc1ccc(CSC[C@@H](O)CO)o1 161381666 ZUGAPJICJRPAIY-ZETCQYMHSA-N 217.290 0.325 70 10 BCIE NC(=O)CC1CCN(C[B-](F)(F)F)CC1 203424469 PKTAXCWORKGVGK-UHFFFAOYSA-N 223.027 0.960 70 10 BCIE CC[C@H]1C(=O)NCCN1C(=O)[C@H]1CC[C@@H](C)O1 217806273 DYGVBHSOVYMPRK-KXUCPTDWSA-N 240.303 0.291 70 10 BCIE C[C@](O)(CO)CNC(=O)/C=C\c1ccccc1 218150643 BEXCIUWEUIZRQW-MEJMFZKBSA-N 235.283 0.559 70 10 BCIE C[C@@H](CNC(=O)CC(N)=S)N(C)C1CC1 218160790 KOIKVQJWBBUWHR-ZETCQYMHSA-N 229.349 0.262 70 10 BCIE O=S(=O)(Cl)CC[C@@H]1CCCNC1 258221054 YOVOQYSGFARSSV-ZETCQYMHSA-N 211.714 0.945 70 10 BCIE O=S(=O)(Cl)/C=C\CN1CCOCC1 258314344 VQDUWJUGVGCGHL-XFSBKJJWSA-N 225.697 0.401 70 10 BCIE O=S(=O)(Cl)c1ccc2nncn2c1 307273818 XGCQJRRFYIAIEC-UHFFFAOYSA-N 217.637 0.657 70 10 BCIE COCCCCN(C)S(=O)(=O)Cl 397444548 XFHCRWLWBFNOML-UHFFFAOYSA-N 215.702 0.828 70 10 BCIE CCn1c(COC)nnc1S(=O)(=O)F 685951371 JOFDIKSTHOMLPL-UHFFFAOYSA-N 223.229 0.103 70 10 BCIE O=S(=O)(Cl)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 1615874312 NFBLJBANAWOSHC-CJZRUXIPSA-N 208.666 0.731 70 10 BCIE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)F 1882171407 OXCFPKWGXYLTIT-NTSWFWBYSA-N 215.221 0.260 70 10 BCIE O=S(=O)(Cl)C[C@H]1COCCCO1 1933312478 DUAGCLBVMQJPAG-ZCFIWIBFSA-N 214.670 0.361 70 10 BCIE COCC[C@@H](COC)S(=O)(=O)F 1953354884 LKPKBULUTSSVRM-LURJTMIESA-N 200.231 0.337 70 10 BCIE CCN([C@H]1CCCOC1)S(=O)(=O)F 1954485516 MERONTIATMGITN-ZETCQYMHSA-N 211.258 0.702 70 10 BCIE CC[C@@H]1CCOC[C@H]1N(C)S(=O)(=O)F 1955509966 OHUAYHQXOGNUSS-HTQZYQBOSA-N 225.285 0.948 70 10 BCIE Cc1ncoc1C(=O)N(C)C[C@@H](C)C(N)=S 159444032 COLZBINHWUDSTM-ZCFIWIBFSA-N 241.316 0.977 70 10 BCIE CCOC1([C@H](O)COC)CCOCC1 159771436 DHKRHCHQRQUKGZ-SECBINFHSA-N 204.266 0.579 70 10 BCIE COCc1nc(Cl)cc(N2CC[C@@H](O)C2)n1 160051303 AJHWNJOXVKEJCK-SSDOTTSWSA-N 243.694 0.847 70 10 BCIE CNc1ccncc1C(=O)N(C)[C@H]1CCOC1 161070644 ALVUHCXLEAKNMO-VIFPVBQESA-N 235.287 0.984 70 10 BCIE Brc1n[nH]c([C@@H]2COCCN2)n1 216749193 JFIQXEOYSGMZTD-BYPYZUCNSA-N 233.069 0.228 70 10 BCIE CCS(=O)(=O)C[C@H](C)N[C@@H](CO)C(C)C 217327503 GTLDHJGESMXSCR-UWVGGRQHSA-N 237.365 0.416 70 10 BCIE NS(=O)(=O)CCNC[C@@H]1C[C@@H]2C=C[C@H]1C2 218020090 JXABHKWVBPGXBK-UTLUCORTSA-N 230.333 0.077 70 10 BCIE CCN(C)C(=O)CNc1c(N)c(C)nn1CC 218430966 ZOYDYELXCGTDIS-UHFFFAOYSA-N 239.323 0.684 70 10 BCIE COC(=O)[C@@H](N)CCN1CC[C@@H](C)C[C@@H]1C 218687504 DZMYCKGETUKXPU-VWYCJHECSA-N 228.336 0.997 70 10 BCIE CN1CCn2nc(S(=O)(=O)Cl)cc2C1 721869876 RFBQXTVXQUTAME-UHFFFAOYSA-N 235.696 0.256 70 10 BCIE O=S(=O)(F)C[C@H]1COCC2(CCC2)O1 757136267 DNHCJAPLIVLBBF-SSDOTTSWSA-N 224.253 0.624 70 10 BCIE O=S(=O)(F)CCn1cc(C2CC2)nn1 883953679 GCQRRYAEMWTNGC-UHFFFAOYSA-N 219.241 0.455 70 10 BCIE O=S(=O)(Cl)c1cnc2[nH]nnc2c1 1536212727 CHQVDZCKANXPDU-UHFFFAOYSA-N 218.625 0.280 70 10 BCIE C#CCCN(CCOC)S(=O)(=O)F 1953969662 DGRKIXKQGWXEIG-UHFFFAOYSA-N 209.242 0.172 70 10 BCIE COC(=O)CN(C(C)C)S(=O)(=O)F 1954486367 SMMLDUBQPAAFQV-UHFFFAOYSA-N 213.230 0.084 70 10 BCIE O=S(=O)(Cl)N1CC[C@@H]1c1ncon1 1954488555 OEVNIISUKNPOFK-SCSAIBSYSA-N 223.641 0.300 70 10 BCIE CCCN(C[B-](F)(F)F)[C@H]1CCNC1=O 1956858322 MLKLCYOEHBYHMJ-ZETCQYMHSA-N 223.027 0.974 70 10 BCIE Cn1cc(CN(C2CC2)S(=O)(=O)Cl)cn1 1961253566 WLTFLGJPASCIPG-UHFFFAOYSA-N 249.723 0.868 70 10 BCIE COCCN(C)c1ncc([B-](F)(F)F)cn1 1961709900 FBVPYQAALIUCAR-UHFFFAOYSA-N 234.010 0.614 70 10 BCIE C[C@@H]1CCNC[C@@H]1N(C)S(=O)(=O)F 2241914420 DJQSAPKCFJTKHR-RQJHMYQMSA-N 210.274 0.131 70 10 BCIE COC(=O)[C@@H](Cl)S(=O)(=O)Cl 104546168 LKXJTHREOARKEM-REOHCLBHSA-N 207.034 0.293 70 10 BCIE O=S(=O)(OC1CCNCC1)C(F)(F)F 100111320 VALHZUKVIOBLBO-UHFFFAOYSA-N 233.211 0.605 70 10 BCIE COC(=O)[C@H](F)CS(=O)(=O)Cl 307659519 SYMJFCOGTCZNFP-GSVOUGTGSA-N 204.606 0.066 70 10 BCIE C[C@@H]1CC[C@H](CNS(=O)(=O)Cl)O1 306626122 YPQLHHCQRKNTPB-PHDIDXHHSA-N 213.686 0.627 70 10 BCIE O=S1(=O)C[C@H]2C[C@H]1CN2c1ccc(O)cc1 217018206 AFLDRKUSCHGOGH-KOLCDFICSA-N 239.296 0.768 70 10 BCIE O=C(/C=C\c1cccs1)NC[C@@H](O)CO 218222315 NQCNEZLWLSJQQZ-TUUFMJSCSA-N 227.285 0.231 70 10 BCIE C/C=C/C=C\C(=O)N1CCN(C2CNC2)CC1 218286841 JBQFMFPYEKKNFT-IAROGAJJSA-N 235.331 0.235 70 10 BCIE O=C(NC1CC1)N1C2CC3CC1CC(C2)N3 217388858 IBQIDKHQEYHURR-UHFFFAOYSA-N 221.304 0.826 70 10 BCIE COc1cccc(-n2ncc(CN)n2)c1 159725208 XVPBSODHPDAHFY-UHFFFAOYSA-N 204.233 0.735 70 10 BCIE OCC[C@@H]1CCN(Cc2cnccn2)C1 159775352 ZRFJNCZYUCRDKS-JTQLQIEISA-N 207.277 0.681 70 10 BCIE Nc1ccc(NS(=O)(=O)NC2CC2)cn1 160826834 DHYWDXPXZDXMME-UHFFFAOYSA-N 228.277 0.073 70 10 BCIE CCOC[C@@H](N)C1(OC)CCOCC1 160425720 BTBGIPIJWLPJOF-SECBINFHSA-N 203.282 0.546 70 10 BCIE CS(=O)(=O)CCC[C@@H](N)c1cnsn1 161138241 KKHPCNSUGGUSOO-ZCFIWIBFSA-N 235.334 0.363 70 10 BCIE C[C@@H]1O[C@H](C)[C@H](NS(=O)(=O)Cl)[C@@H]1C 575584800 RAKDWBORCCLDTL-XZBKPIIZSA-N 227.713 0.872 70 10 BCIE O=C(N1CC[C@@H](S(=O)(=O)F)C1)C(F)(F)F 725448321 VSDKJZDFZMLMMC-SCSAIBSYSA-N 249.185 0.449 70 10 BCIE N[C@H]1C[C@H]2CC[C@@]1(CS(=O)(=O)F)C2 757214450 SOGSBGLYKWVUHW-CSMHCCOUSA-N 207.270 0.803 70 10 BCIE N[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)F 757553554 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CCN(C)C(=O)CNC[C@H]1CC[C@@H](C)O1 217387390 KCCYPWDQZVYXSW-NXEZZACHSA-N 214.309 0.622 70 10 BCIE Clc1cnc2nc(C[C@H]3CCNC3)nn2c1 217058540 HCCCIGKQJXVMNX-SSDOTTSWSA-N 237.694 0.930 70 10 BCIE NC[C@@H]1COCCN1C(=O)CC(F)(F)F 159518638 FTMHYRBLIWGLHH-ZCFIWIBFSA-N 226.198 0.125 70 10 BCIE CC[C@@H](CN)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 218377227 UDYJZESWYYTYGJ-TUAOUCFPSA-N 239.363 0.714 70 10 BCIE COCCNCCN(C)C[C@H](C)OC 159752337 ITNLQULOUMPJEI-JTQLQIEISA-N 204.314 0.189 70 10 BCIE Cc1ncoc1C(=O)N[C@@H](C)[C@H](C)CO 160263586 ZSCPOKDWVUITNZ-RQJHMYQMSA-N 212.249 0.730 70 10 BCIE COc1cncc([C@H](NN)c2cnns2)c1 160417435 AOGKZXFCSQUODC-VIFPVBQESA-N 237.288 0.494 70 10 BCIE CC(C)[C@H](N)C(=O)N[C@H](C)[C@H]1CCOC1 160717343 VDIOCSUPVYHCRE-UTLUCORTSA-N 214.309 0.511 70 10 BCIE COc1nccnc1[C@H](NN)c1cnc(C)cn1 160879195 PWCAEYQKWMQLTM-SECBINFHSA-N 246.274 0.136 70 10 BCIE CC(C)[S@@](=O)N1CC[C@H](S(=O)(=O)F)C1 725705988 QRHSLTUZUYXZIT-WPPNPWJKSA-N 243.325 0.432 70 10 BCIE CCOC(=O)CC1(S(=O)(=O)F)CC1 675067088 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0.690 70 10 BCIE Cc1nccnc1N1CC[C@@H](CCO)C1 159746373 KJEJQCDJABVIEM-JTQLQIEISA-N 207.277 0.994 70 10 BCIE C[C@@H]1CCO[C@@H]1C(=O)NCC(=O)OC(C)(C)C 160438035 YWCKSYBRYAHDBD-SCZZXKLOSA-N 243.303 0.869 70 10 BCIE O=c1[nH]c(Cl)c(F)c(=O)n1[C@H]1CCCOC1 160862031 QWSQRBNOBKVOEB-YFKPBYRVSA-N 248.641 0.681 70 10 BCIE CNc1ccc(C(=O)N(C)[C@H]2CCOC2)nn1 161073704 XBEQTYSLDGWOSJ-QMMMGPOBSA-N 236.275 0.379 70 10 BCIE Nc1ccc(=O)n(Cc2ccncc2)n1 161149387 MURCBSQRQKWICL-UHFFFAOYSA-N 202.217 0.269 70 10 BCIE CCCNCCNC[C@@H]1CCS(=O)(=O)C1 161360637 UJLLRGUCQXYBFQ-JTQLQIEISA-N 234.365 0.010 70 10 BCIE Cc1ccc(N2CC[C@@H]3CNC[C@@H]32)nn1 216650996 NVWPDMYABUXFTH-ZJUUUORDSA-N 204.277 0.583 70 10 BCIE CC[C@H](CCO)NC(=O)C(N)(CC)CC 217955629 KRQNFCIJBAPYDO-SECBINFHSA-N 216.325 0.781 70 10 BCIE CC/C=C(\C)C(=O)N(C)C[C@@H](O)COC 218099502 OVXHHIKKUFUEFK-OLKPEBQYSA-N 215.293 0.808 70 10 BCIE COCC[C@](C)(O)[C@@]1(CN)CCCOC1 218729797 GBJJWVITDATHFW-WDEREUQCSA-N 217.309 0.529 70 10 BCIE C[C@@H]1C[C@H]1[C@H]1CC(=O)N1S(=O)(=O)Cl 575539611 YFZVHCWLOCDQFL-HSUXUTPPSA-N 223.681 0.727 70 10 BCIE CCCn1cc(S(=O)(=O)F)c(O)nc1=O 675066891 QKDTUKYOGBAGJI-UHFFFAOYSA-N 236.224 0.017 70 10 BCIE O=S(=O)(Cl)OCCOCC1CC1 1880758859 PSWFUEBGTLTTEF-UHFFFAOYSA-N 214.670 0.913 70 10 BCIE C[C@@H]1CCN(C[B-](F)(F)F)S1(=O)=O 1930751367 DLSKAZGVIRETPG-RXMQYKEDSA-N 216.013 0.797 70 10 BCIE CN(C)[C@@H]1CCCCN(S(=O)(=O)Cl)C1 1934080910 ZEWUCSRDPUIRRW-MRVPVSSYSA-N 240.756 0.886 70 10 BCIE COC1(CNS(=O)(=O)F)CCCC1 1954485445 LVBQWPPAZPBWKJ-UHFFFAOYSA-N 211.258 0.750 70 10 BCIE CCN(Cc1nc(C)no1)S(=O)(=O)Cl 1955507503 RMVOVUAHNSTUEY-UHFFFAOYSA-N 239.684 0.684 70 10 BCIE N=C(N)c1ccccc1CS(=O)(=O)F 117556290 XDSDKJUFYWFRGK-UHFFFAOYSA-N 216.237 0.770 70 10 BCIE c1cn(CCN[C@@H]2CCCOCC2)nn1 159663343 OHVAAPOWNZXZLM-SNVBAGLBSA-N 210.281 0.437 70 10 BCIE Cc1c(Cl)[nH]c(=O)n(C[C@H](C)N(C)C)c1=O 160840941 RRSPOMLZTJTALR-LURJTMIESA-N 245.710 0.449 70 10 BCIE CCN(C)CCn1c(=O)cc(Cl)[nH]c1=O 160850715 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0.940 70 10 BCIE C[C@H](CO)CNC[C@@H](C)N(C)C1CC1 218702641 BTFQUPDIAZMBTC-VHSXEESVSA-N 200.326 0.687 70 10 BCIE C=C(C)C(=O)OC[SiH](OCC)OCC 238313517 UGBZKECTKVOCEP-UHFFFAOYSA-N 218.325 0.938 70 10 BCIE Cn1nccc1S(=O)(=O)Br 300941942 DRSOFAFBYVYFLR-UHFFFAOYSA-N 225.067 0.504 70 10 BCIE CN1CC[C@@H]2CN(S(=O)(=O)Cl)C[C@H]2C1 307621152 JWKSVCJGLMTKKB-HTQZYQBOSA-N 238.740 0.354 70 10 BCIE CC[C@@H](C)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 725702020 JLRBVXMDNGKTAC-HTQZYQBOSA-N 237.296 0.933 70 10 BCIE O=C1CC2(CCC2)[C@@H](CS(=O)(=O)F)O1 757224128 NZHMGKDELNLAMJ-ZCFIWIBFSA-N 222.237 0.772 70 10 BCIE CN(C[C@@]12CC[C@@H](CO1)C2)S(=O)(=O)Cl 1890171271 QPVIXKIRGISIGQ-SFYZADRCSA-N 239.724 0.971 70 10 BCIE CO[C@@H]1CCC[C@H]1N(C)S(=O)(=O)F 1954478068 KOEPMTCNFAMBII-RNFRBKRXSA-N 211.258 0.700 70 10 BCIE CC[C@@H]1CN(S(=O)(=O)F)[C@@H](C)CO1 1954486591 UUCPIHZHCACCPH-NKWVEPMBSA-N 211.258 0.700 70 10 BCIE C[C@H]([C@@H]1CCCOC1)N(C)S(=O)(=O)F 1956631509 JRAWYFYCQADLCR-HTQZYQBOSA-N 225.285 0.948 70 10 BCIE CO[C@@H]1CC(F)(F)CC[C@H]1NS(=O)(=O)F 1959235231 WKUNSHVUZUQNGF-PHDIDXHHSA-N 247.238 0.993 70 10 BCIE CCC[C@@]1(NS(=O)(=O)F)CCCNC1 2241918769 LDJODEYFTHSRFX-MRVPVSSYSA-N 224.301 0.713 70 10 BCIE CN(c1cc(CN)ccn1)S(=O)(=O)F 2241920704 MXPKKLMZKAYESO-UHFFFAOYSA-N 219.241 0.191 70 10 BCIE CC(=O)/C=C(/C)OC(=O)NS(=O)(=O)Cl 104542402 RZNAXNGDHMNEIS-HYXAFXHYSA-N 241.652 0.689 70 10 BCIE O=S(=O)(Cl)c1cn(Cc2ncc[nH]2)cn1 306201076 PYRJOMVXEWOMPO-UHFFFAOYSA-N 246.679 0.582 70 10 BCIE O=S(=O)(Cl)Cc1ncn2ccncc12 216638247 QIMCVOIHHXVTMH-UHFFFAOYSA-N 231.664 0.798 70 10 BCIE N[C@H]1CC[C@H]1NC(=O)CCn1cc(Cl)cn1 216841497 CZWNLNHYMPJJPI-DTWKUNHWSA-N 242.710 0.533 70 10 BCIE NCCCS(=O)(=O)Cc1cncs1 159836430 POSKUYRGGHZOCL-UHFFFAOYSA-N 220.319 0.407 70 10 BCIE Cc1ncccc1[C@H](Cc1ccn(C)n1)NN 160391570 GWGDKZFBODIHSB-LBPRGKRZSA-N 231.303 0.871 70 10 BCIE CC(C)[C@H](O)CNS(=O)(=O)NC(C)(C)C 160742529 NWBCJUDVPNHVOH-MRVPVSSYSA-N 238.353 0.226 70 10 BCIE CC(C)[C@H](N)C(=O)N[C@H](C)[C@@H]1CCOC1 160714889 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BCIE CCN(C(C)C)[C@H](C)C[C@@](C)(N)C(N)=O 218284353 HQNLQFKJEATZJM-MWLCHTKSSA-N 215.341 0.698 70 10 BCIE O=C1[C@@H]2C[C@H]2C(=O)N1C[C@@H]1CCCCN1 217439973 DSFPQOXIMHXUQY-DJLDLDEBSA-N 208.261 0.133 70 10 BCIE CC(C)NCCNC[C@@H]1CCO[C@@H]1C 161384122 RFNYEJLOWQRSFB-MNOVXSKESA-N 200.326 0.999 70 10 BCIE CNc1nnc(C(=O)NCc2ccccn2)s1 160026604 AWHXAVGNJYMHDB-UHFFFAOYSA-N 249.299 0.905 70 10 BCIE C[C@H](CO)[C@@H](C)NC(=O)c1csnn1 160260698 LRKXWZRWDCISHW-PHDIDXHHSA-N 215.278 0.285 70 10 BCIE Nc1cnn(CC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 159533535 HMMKOLCKFLFTGI-UWVGGRQHSA-N 234.303 0.724 70 10 BCIE Nc1ccc(NC[C@H]2CCCOC2)nn1 159823477 NOATWVARWTVJEI-MRVPVSSYSA-N 208.265 0.897 70 10 BCIE CCCOCCC(=O)Cc1ncnn1C 160795918 QXFISSZKASDDFQ-UHFFFAOYSA-N 211.265 0.743 70 10 BCIE COC(=O)[C@@]1(CC(F)(F)F)COCC[C@@H]1N 217087348 RWYBAYWWLOSSML-XPUUQOCRSA-N 241.209 0.846 70 10 BCIE CCS(=O)(=O)N1C[C@H]2CC(N)C[C@@H](C2)C1 217445036 TYIDEYQXEJTPSH-RKDXNWHRSA-N 232.349 0.395 70 10 BCIE NCCCN1CCCN(C2CCC2)S1(=O)=O 217584801 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70 10 BCIE CC(=O)NCCn1ncc2c1CCCC2 217397524 MTKIMJQPZFGDCP-UHFFFAOYSA-N 207.277 0.898 70 10 BCIE CCCNCC(=O)NC[C@H](O)CCC 217960652 FBORFVSJZAAZQU-SECBINFHSA-N 202.298 0.263 70 10 BCIE CCN([C@@H]1COCC[C@@H]1N)[C@H](C)COC 218341817 FXWFPRVLSODJAT-OUAUKWLOSA-N 216.325 0.459 70 10 BCIE CC[C@@H]1CCCN1CC[C@@H](NC)C(N)=O 218522250 IPZHAKSTVRXUOL-NXEZZACHSA-N 213.325 0.324 70 10 BCIE CC(C)/C=C/NC(=O)N1CCN(C=O)CC1 218525636 DOWIQXYMODFEGK-ONEGZZNKSA-N 225.292 0.640 70 10 BCIE CN([C@@H]1CCCOC1)S(=O)(=O)Cl 401490933 ZREXHKZSYMJWFH-ZCFIWIBFSA-N 213.686 0.581 70 10 BCIE O=S(=O)(Cl)OCCOC1CC1 1880201742 CJOWTWRHDORRKY-UHFFFAOYSA-N 200.643 0.666 70 10 BCIE CC1(C)CO[C@H](COS(=O)(=O)Cl)CO1 1885382543 HRZKNLSFGYBYIJ-LURJTMIESA-N 244.696 0.681 70 10 BCIE Nc1cc(C=O)cc(OS(=O)(=O)F)c1 1887551699 AUCCJHOGWIPKAJ-UHFFFAOYSA-N 219.193 0.674 70 10 BCIE Cn1ncc(C2OCCO2)c1S(=O)(=O)F 1887620393 NJHROFFXGBBJCC-UHFFFAOYSA-N 236.224 0.124 70 10 BCIE Cc1cc(CN(C)S(=O)(=O)Cl)n(C)n1 1934285480 SXZQIAFNJWMXSX-UHFFFAOYSA-N 237.712 0.644 70 10 BCIE CO[C@@H]1C=CCN(S(=O)(=O)Cl)C1 1953665770 KLCDOGYHKHXHSA-ZCFIWIBFSA-N 211.670 0.357 70 10 BCIE F[B-](F)(F)CN1CC[C@@H]2CNC[C@@H]2C1 1954648011 QRJRCTLLHNLSPO-HTQZYQBOSA-N 207.028 0.914 70 10 BCIE N#C[C@]1(C2CC2)CCN(S(=O)(=O)F)C1 1955504319 HVBZJQMRLSXRHN-MRVPVSSYSA-N 218.253 0.826 70 10 BCIE Cc1ncnc(OC2COC2)c1[B-](F)(F)F 1961695173 ZPYUMHXJLRTRRX-UHFFFAOYSA-N 232.978 0.617 70 10 BCIE CN1N=C(C=CS(=O)(=O)Cl)CCC1=O 1951883126 GOBINMSQKCAPKF-UHFFFAOYSA-N 236.680 0.677 70 10 BCIE CCN(CCOC)C[C@H]1CC[C@@H](CN)O1 216793923 DUTWDLOWJKPGLB-WDEREUQCSA-N 216.325 0.461 70 10 BCIE COc1cc(CO)cc(OC)c1S(C)(=O)=O 217549897 NSEIIUXYUBEDDJ-UHFFFAOYSA-N 246.284 0.600 70 10 BCIE CNC[C@@H](O)c1oc(Br)nc1C 216891563 HVHCYYNLSAERKW-RXMQYKEDSA-N 235.081 0.998 70 10 BCIE CCC[C@@]1(C(=O)OC)CCS(=O)(=O)C[C@@H]1N 217639662 CYWSXKXFUHNDHT-WCBMZHEXSA-N 249.332 0.092 70 10 BCIE CCn1cc([C@@H](N)c2ccnnc2)cn1 160772348 XWEBZVNWPVGNNQ-JTQLQIEISA-N 203.249 0.741 70 10 BCIE C[C@H](CN1C[C@H](N)CC1=O)N1CCCC1 161489020 OHRHEKNRGAUHRH-NXEZZACHSA-N 211.309 0.030 70 10 BCIE COC(=O)N1CCN(C[B-](F)(F)F)CC1 238409862 UGCRZNOIGJNBOV-UHFFFAOYSA-N 224.999 0.757 70 10 BCIE O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N1S(=O)(=O)Cl 252672942 FKQJRNXBRYVEDG-AXMZGBSTSA-N 235.692 0.727 70 10 BCIE O=C1Nc2ccc(S(=O)(=O)F)cc2C1=O 675066204 YNHJBKHQNYBXMF-UHFFFAOYSA-N 229.188 0.480 70 10 BCIE O=S(=O)(Cl)NCC1=CCOCC1 1953666813 OTVGOKOFCBALLG-UHFFFAOYSA-N 211.670 0.406 70 10 BCIE O=S(=O)(Cl)C[C@H]1C[C@@H]2OCC[C@@H]2O1 1954672698 YPYMOHXENVKWAJ-VQVTYTSYSA-N 226.681 0.501 70 10 BCIE COC[C@@H]1[C@H]2CCN(S(=O)(=O)F)C[C@H]21 1955505853 ZVFCEDMAQVFSOZ-XLPZGREQSA-N 223.269 0.415 70 10 BCIE CO[C@@H]1C[C@@H](C)CC[C@H]1NS(=O)(=O)F 1955786309 VUECTHBYDSTALY-XLPZGREQSA-N 225.285 0.994 70 10 BCIE CC(C)(C(=O)OCCF)S(=O)(=O)Cl 1882530497 JQUQHZRNHFLBGP-UHFFFAOYSA-N 232.660 0.846 70 10 BCIE O=S(=O)(F)c1cc(-n2cccn2)ncn1 1958045490 KKTIQFWZISENRU-UHFFFAOYSA-N 228.208 0.321 70 10 BCIE CC[C@H](C)N(C)CCNC(=S)NN 218571724 RXROZAALPPTLAR-ZETCQYMHSA-N 204.343 0.055 70 10 BCIE C[C@@H]1COCC[C@H]1N(C)S(=O)(=O)Cl 1929910475 XNBWTRYFHJCBIN-RNFRBKRXSA-N 227.713 0.827 70 10 BCIE C[SiH2]OCCCCCCO[SiH2]C 206709043 YUSAMSRXBQDSHR-UHFFFAOYSA-N 206.434 0.844 70 10 BCIE CC(C)NS(=O)(=O)NOCC(F)(F)F 160455161 YUHKSWJAFPLIHV-UHFFFAOYSA-N 236.215 0.313 70 10 BCIE CCCc1c(O)[nH]c(=O)n(C[C@H]2C[C@H]2C)c1=O 160606938 LDNBDOWEPZTTCB-HTQZYQBOSA-N 238.287 0.851 70 10 BCIE NN[C@@H](Cc1ccoc1)c1ccnnc1 160762232 SHMMCAIRCNJCAT-JTQLQIEISA-N 204.233 0.817 70 10 BCIE Cc1nc(C)c(C(=O)N2C[C@H]3CNC[C@H]3[C@@H]2C)o1 159593386 PITGUPPMCVFILG-GDPRMGEGSA-N 249.314 0.971 70 10 BCIE CC1(C)[C@@H](O)[C@H](O)CN1C[B-](F)(F)F 1882318614 GPWLLMJSBDHKOJ-RITPCOANSA-N 212.000 0.189 70 10 BCIE O=S(=O)(F)NC1C[C@@H]2CC[C@H](C1)N2 2241919080 PQYOFEPYGKDLSQ-MEKDEQNOSA-N 208.258 0.073 70 10 BCIE C[C@H]1CN[C@@H](C)CN(S(=O)(=O)F)C1 2241918653 JVQLKRFHVRKJPG-BQBZGAKWSA-N 210.274 0.131 70 10 BCIE CCc1nc(S(=O)(=O)Cl)cn1C 112141755 APMZRBIIXVEJOW-UHFFFAOYSA-N 208.670 0.910 70 10 BCIE CC(C)OCCN1C[C@@H](CO)CC1=O 159371143 JSIQDXAZRIFRSX-VIFPVBQESA-N 201.266 0.252 70 10 BCIE CC(C)OC[C@@H](NN)c1cnsn1 159553116 PYQAEBGPWWKNBH-SSDOTTSWSA-N 202.283 0.468 70 10 BCIE CC(C)(CN)C(=O)N1CC[C@H](CCO)C1 159640231 QHWANIRKPHYSKB-SECBINFHSA-N 214.309 0.202 70 10 BCIE COC(OC)[C@H](O)c1cnc(N)s1 159842889 NMILTYPQAOGEBC-RXMQYKEDSA-N 204.251 0.378 70 10 BCIE CSC[C@@H](C)N(C)[C@]1(CN)CCOC1 159990267 SNMYCOXGEKYCLX-ZJUUUORDSA-N 218.366 0.788 70 10 BCIE COC[C@H](N)C(=O)Nc1ccc(Cl)nn1 160169728 IUBKINQHZPVRRU-YFKPBYRVSA-N 230.655 0.042 70 10 BCIE CCc1cc(=O)[nH]c(C2(OC)CCOCC2)n1 160206626 XSGVQGDWTYUEFT-UHFFFAOYSA-N 238.287 0.984 70 10 BCIE COc1ccccc1[C@@]1(C)OC(N)=NC1=O 160763398 DEDIZRYXERETBM-LLVKDONJSA-N 220.228 0.782 70 10 BCIE CN1CC(=O)N(Cc2ccccc2)CC1=O 216891361 WNRUDNNTAHDZJJ-UHFFFAOYSA-N 218.256 0.487 70 10 BCIE O=CNCCCNC(=O)Nc1cccnc1 217264740 NFQJHMWMETZSIM-UHFFFAOYSA-N 222.248 0.339 70 10 BCIE O=c1[nH]c2nccc(N3CCOCC3)c2[nH]1 218009399 NRUXEXPCIHOPKI-UHFFFAOYSA-N 220.232 0.088 70 10 BCIE COC(=O)[C@]1(N)C[C@H]1c1ccc(O)cc1 218144183 VQJSFPASMBOTGK-ONGXEEELSA-N 207.229 0.750 70 10 BCIE CC[C@@H](CCO)Nc1nc(N)ncc1F 218549988 NURGLRFHTLGLAV-LURJTMIESA-N 214.244 0.771 70 10 BCIE OCCN1CCCN(C[B-](F)(F)F)CC1 228755976 JHCZQLCTGMVXDS-UHFFFAOYSA-N 225.043 0.373 70 10 BCIE COC(=O)N1CC[C@H]1CS(=O)(=O)Cl 257624859 GANFSIGAQVCKSV-YFKPBYRVSA-N 227.669 0.396 70 10 BCIE O=C(CS(=O)(=O)Cl)C1CCOCC1 259037452 ZXPOZQZMUFIBCS-UHFFFAOYSA-N 226.681 0.551 70 10 BCIE CO[C@H](C)CCNS(=O)(=O)Cl 379299546 OTCOJDCFFKFHRJ-RXMQYKEDSA-N 201.675 0.485 70 10 BCIE O=S(=O)(Cl)[C@H]1CO[C@]2(CCOC2)C1 1882153053 PAXHQGUFMMGYCG-RNFRBKRXSA-N 226.681 0.503 70 10 BCIE O=S(=O)(Cl)CCOCC1[C@H]2COC[C@H]12 1890471676 BPXCZXFETVWIGO-HTQZYQBOSA-N 240.708 0.464 70 10 BCIE C[C@@H](C[C@H](C)S(=O)(=O)F)n1cncn1 1952961537 FTRYEPIPTBZACC-BQBZGAKWSA-N 221.257 0.917 70 10 BCIE CCN(CCC(=O)OC)S(=O)(=O)F 1954486693 VMQAKXMXCUJDBZ-UHFFFAOYSA-N 213.230 0.086 70 10 BCIE CN(C)[C@@H]1CCCCN(S(=O)(=O)F)C1 1955510799 VQRGBPQAUVGJMQ-MRVPVSSYSA-N 224.301 0.617 70 10 BCIE CN1CC[C@@H]2[C@H](CCN2S(=O)(=O)Cl)C1 1956817259 LHZAZUJQZYPGIT-HTQZYQBOSA-N 238.740 0.496 70 10 BCIE O=S(=O)(Cl)N1CCC[C@@]2(CCOC2)C1 1956859471 WVLVAAMGSARQLZ-MRVPVSSYSA-N 239.724 0.973 70 10 BCIE C=C(CCn1c(O)nnc(C)c1=O)[B-](F)(F)F 1982479581 RBSLBXCOKIGJII-UHFFFAOYSA-N 247.993 0.985 70 10 BCIE N#Cc1nccnc1S(=O)(=O)Cl 107621929 NTTGOLRADCVNCA-UHFFFAOYSA-N 203.610 0.276 70 10 BCIE O=[N+]([O-])/C=C1\NCC[C@H]1Br 147491420 JYPZCQISYOMXFP-YZRPVEKSSA-N 207.027 0.861 70 10 BCIE C[C@@H](OCC[C@H]1CCNC1)C(=O)N(C)C 159440989 YRPMMVSMJCNNMP-NXEZZACHSA-N 214.309 0.479 70 10 BCIE O=C(c1cnns1)N1C[C@@H]2CCC[C@H](C1)N2 159464433 NICYCPVTLQPNGZ-OCAPTIKFSA-N 238.316 0.505 70 10 BCIE COc1cccnc1NC(C)(C)C(N)=O 160216027 MEFZPSIYPFGWMY-UHFFFAOYSA-N 209.249 0.766 70 10 BCIE COCCS(=O)(=O)Cc1ccc(CN)o1 161341371 IDWSDKVGVVHQLJ-UHFFFAOYSA-N 233.289 0.300 70 10 BCIE CCCCN(CC(N)=O)C[B-](F)(F)F 203431166 YKJWOHHOGPIGIQ-UHFFFAOYSA-N 211.016 0.960 70 10 BCIE CCCN(C(=O)CNC)[C@@H]1CCCC[C@@H]1O 216706184 WWYOUJIGIGEEPS-MNOVXSKESA-N 228.336 0.748 70 10 BCIE Cn1cc(/C=C\C(=O)NCCc2cnc[nH]2)cn1 217006808 AUCLDJFNXYQUHC-IHWYPQMZSA-N 245.286 0.515 70 10 BCIE NCCCNCc1nnc2n1CCCC2 217318878 QGBKRGBJJRZSED-UHFFFAOYSA-N 209.297 0.053 70 10 BCIE O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1cc[nH]n1 217381919 SAUZAXSQDYWDST-OYBPUVFXSA-N 243.266 0.717 70 10 BCIE CS(=O)(=O)c1ncncc1C[B-](F)(F)F 238389510 IUBCYGGTABTNTK-UHFFFAOYSA-N 239.007 0.809 70 10 BCIE O=S(=O)(Cl)N1CCOC(F)(F)C1 1932130682 AYBZXAFTNUSVQR-UHFFFAOYSA-N 221.612 0.395 70 10 BCIE CC(C)(c1n[nH]cc1[N+](=O)[O-])S(=O)(=O)F 1953003533 YEJVKNNVVLBJBA-UHFFFAOYSA-N 237.212 0.852 70 10 BCIE NC[C@H]1CC[S@](=O)(=NC[B-](F)(F)F)C1 1954657725 SIYWUNBTCRURDE-RWBAJPLHSA-N 229.056 0.820 70 10 BCIE CN(C[C@@H]1[C@@H]2CCOC[C@H]21)S(=O)(=O)F 1955505585 WOGOLIXWHAUEEV-XLPZGREQSA-N 223.269 0.415 70 10 BCIE N[C@@H]1CN(C[B-](F)(F)F)[C@]2(CCCOC2)C1 1959468997 CLPVVWJAOPWIDO-DTWKUNHWSA-N 237.054 0.955 70 10 BCIE F[B-](F)(F)c1cncnc1N1C[C@@H]2C[C@H]2C1 1961710886 XTEMTPQAUVIKKG-BQBZGAKWSA-N 228.006 0.987 70 10 BCIE O=C(c1ccco1)N1CC(CS(=O)(=O)F)C1 1968215652 KICRMWBJQIRASV-UHFFFAOYSA-N 247.247 0.651 70 10 BCIE O=S(=O)(F)N1CC[C@@H](CBr)C1 1973430907 RAPKJSKBDAKIIY-YFKPBYRVSA-N 246.101 0.918 70 10 BCIE CN1CCC[C@H]1COS(=O)(=O)Cl 2209067559 VVWAXQPWBYQEGU-LURJTMIESA-N 213.686 0.581 70 10 BCIE CN(CC1CCNCC1)S(=O)(=O)F 2241918479 IMTCWNDCIDMFMO-UHFFFAOYSA-N 210.274 0.132 70 10 BCIE O=C1[C@H]2C=C[C@@H](CC2)N1S(=O)(=O)Cl 104542117 INIHCUMLWJBMNJ-WDSKDSINSA-N 221.665 0.647 70 10 BCIE CC(C)OC[C@H](NN)c1cnns1 159540296 XNWBJVWANYTDRA-LURJTMIESA-N 202.283 0.468 70 10 BCIE CCOC(=O)[C@@H](N)[C@H](O)c1nc(C)cs1 159694474 DHAUXOACKRZLEF-BQBZGAKWSA-N 230.289 0.375 70 10 BCIE COCc1nc(Cl)cc(N2CCNCC2)n1 160051890 SUWAFILCYZRNFY-UHFFFAOYSA-N 242.710 0.686 70 10 BCIE CSCCN(C)C[C@@]1(N)CCOC1 160061697 RNYHVWCWFGWATQ-VIFPVBQESA-N 204.339 0.399 70 10 BCIE 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159452710 FNKOUKSJLNLCQE-UHFFFAOYSA-N 220.236 0.202 70 10 BCIE O=S(=O)(Cl)c1cc2n(n1)CCOC2 1884249478 KDGNXEIILWGDPO-UHFFFAOYSA-N 222.653 0.341 70 10 BCIE O=S(=O)(Cl)CCCN1CCSC1 1892081406 SYPFHYHNLAWGBZ-UHFFFAOYSA-N 229.754 0.951 70 10 BCIE O=C(C1CC=CC1)N1CC(CS(=O)(=O)F)C1 1968227568 PJWVXBNKVKADND-UHFFFAOYSA-N 247.291 0.710 70 10 BCIE COC(=O)c1cnc(C)cc1S(=O)(=O)F 1974809296 HKWOGAPJGUPHQI-UHFFFAOYSA-N 233.220 0.835 70 10 BCIE CCC1(OC(=O)NS(=O)(=O)Cl)COC1 2242117139 CMMBXCAQCBUNEU-UHFFFAOYSA-N 243.668 0.375 70 10 BCIE CCOc1ncc(S(=O)(=O)F)cn1 2209175454 OTDFUHPOTKKVEX-UHFFFAOYSA-N 206.198 0.534 70 10 BCIE COC[C@]1(C)[C@H]2C[C@H]2CN1S(=O)(=O)Cl 2241604158 ZMPJPOFMZIOGBI-BIIVOSGPSA-N 239.724 0.827 70 10 BCIE COc1cc(OC)nc(S(=O)(=O)Cl)n1 104538179 QCTFVCANFLMJBP-UHFFFAOYSA-N 238.652 0.421 70 10 BCIE O=C1CC2(CCC2)N1S(=O)(=O)Cl 114211821 UEOXHQQHRPSRCU-UHFFFAOYSA-N 209.654 0.625 70 10 BCIE CCc1ccc(NS(=O)(=O)NC)cc1N 160217506 YDAIOWVSUBOQGI-UHFFFAOYSA-N 229.305 0.707 70 10 BCIE NC(=S)c1cccn1[C@@H]1CCS(=O)(=O)C1 160470481 FHLILFNAQHJIMH-SSDOTTSWSA-N 244.341 0.482 70 10 BCIE C[C@H]1OCC[C@@H]1NC(=S)NC1CC1 160662023 XHUOTQHBWKKFOL-SVRRBLITSA-N 200.307 0.790 70 10 BCIE COC(CN[C@@H]1CCCNCC1)OC 160666986 IMGWTMQXWOVTDG-SECBINFHSA-N 202.298 0.337 70 10 BCIE Cc1c(Cl)[nH]c(=O)n([C@@H]2CCN(C)C2)c1=O 160842824 GPLIQIFRACYRNO-SSDOTTSWSA-N 243.694 0.375 70 10 BCIE CCOC[C@H](NN)c1ncc(OC)nc1OC 160858198 JYMTVISJUFTCMQ-ZETCQYMHSA-N 242.279 0.035 70 10 BCIE O=C(C[C@H]1CCCCO1)NC1(CO)CC1 161070061 NGRQTKURTPBDCF-SECBINFHSA-N 213.277 0.587 70 10 BCIE Clc1nccn2c(C[C@H]3CCNC3)nnc12 217058922 MWISVTMETOXFCL-SSDOTTSWSA-N 237.694 0.930 70 10 BCIE CCOCCCNC(=O)NCOCCOC 217310919 YNQXNJTZUSBPKW-UHFFFAOYSA-N 234.296 0.333 70 10 BCIE O=C(Nc1cccc(O)c1)N(CCO)CCO 217312403 WTSHEVCTCMMPBN-UHFFFAOYSA-N 240.259 0.211 70 10 BCIE CC(C)(C)NC(=O)CNC(=O)C(F)F 218691382 AYTSBNGSKVUTSJ-UHFFFAOYSA-N 208.208 0.282 70 10 BCIE COC(=O)N(C)C[C@@H](C)S(=O)(=O)Cl 257625936 NVDKRWXOOVPIAN-RXMQYKEDSA-N 229.685 0.642 70 10 BCIE CC[C@H]1COC[C@@H]1NS(=O)(=O)Cl 575473811 MOLRNVHRCITULN-WDSKDSINSA-N 213.686 0.485 70 10 BCIE CN(C)C1CCC(NS(=O)(=O)Cl)CC1 715494424 MJHWYGNURLKHAY-UHFFFAOYSA-N 240.756 0.932 70 10 BCIE Cn1nc(Br)cc1S(=O)(=O)F 1535627842 CMVANALPYRELOJ-UHFFFAOYSA-N 243.057 0.841 70 10 BCIE CN(C[C@@H]1C[C@@H]1F)S(=O)(=O)Cl 1880360847 RZLUGVYLYSFNNY-WHFBIAKZSA-N 201.650 0.760 70 10 BCIE COCC1CC2(C1)CN(S(=O)(=O)Cl)C2 1886845541 XLXQVFJPVWGAJL-UHFFFAOYSA-N 239.724 0.828 70 10 BCIE O=C1C[C@@]2(C3C[C@@H]4C2[C@@H]4C3)N1S(=O)(=O)Cl 1916928784 PCBONHHMNKZPJF-OYPCKFMDSA-N 247.703 0.727 70 10 BCIE C[C@@H](C(=O)N1CC[C@@H](S(=O)(=O)F)C1)C1CC1 1936137948 PMPOXZSIMXJHFE-VXNVDRBHSA-N 249.307 0.933 70 10 BCIE CN(C)C1(CNS(=O)(=O)F)CCC1 1954485770 NZEURDBOVNUABS-UHFFFAOYSA-N 210.274 0.275 70 10 BCIE C[S@](=O)(=NC[B-](F)(F)F)[C@H]1CCNC1 1954655779 GJHBLYBKJQNNCR-DXRPGJJCSA-N 229.056 0.833 70 10 BCIE O=S(=O)(F)NC[C@@H]1CC[C@H]2C[C@H]1CO2 1955510337 QSNOOTQKBRITCO-FXQIFTODSA-N 223.269 0.605 70 10 BCIE CC(C)NC(=O)C1CN(C[B-](F)(F)F)C1 1956528771 CPMBWXGTTFCEDH-UHFFFAOYSA-N 223.027 0.829 70 10 BCIE C[C@H]1CC[C@H](CN)CN1S(=O)(=O)F 2241915417 ROJOTRHAZLSYBU-NKWVEPMBSA-N 210.274 0.260 70 10 BCIE CCNC(=O)[C@H](C)N[C@@H](CC)CCO 217839044 GLEJFJCJZYOQSC-IUCAKERBSA-N 202.298 0.262 70 10 BCIE Nc1ccnc(O[C@H]2CCCC[C@@H]2O)n1 217726667 UGACNASHEUJHRA-YUMQZZPRSA-N 209.249 0.741 70 10 BCIE Cn1c(S(=O)(=O)Cl)cn2ccnc12 211153671 QUKGGNCDMNDEFT-UHFFFAOYSA-N 219.653 0.600 70 10 BCIE COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1C[C@@H]1C 218256986 ZHZVINDPQSCBCG-CIUDSAMLSA-N 213.277 0.910 70 10 BCIE C[C@H](Cc1cc2ncccn2n1)S(=O)(=O)F 1953040310 FWZLFHXSYSMULA-SSDOTTSWSA-N 243.263 0.960 70 10 BCIE NC[C@H](C1CCNCC1)N1CCSCC1 216627466 AAVHJDDUGXVLDG-LLVKDONJSA-N 229.393 0.362 70 10 BCIE COCCCNC(=O)NCCC(C)=O 217311602 NMMIFSPRESNCTF-UHFFFAOYSA-N 202.254 0.301 70 10 BCIE c1cn(CCN[C@@H]2CCCSC2)nn1 159764808 VQZCCWCBNSHOLR-SECBINFHSA-N 212.322 0.763 70 10 BCIE CSCCN(C)C(=O)[C@H]1CSCCN1 160013009 GYWGFRHNORBAQY-MRVPVSSYSA-N 234.390 0.513 70 10 BCIE CSCCN(C)c1ccc(CO)nn1 160151580 XYKOXBICMPIVRS-UHFFFAOYSA-N 213.306 0.768 70 10 BCIE CCCOCC[C@@H](N)CCCS(C)(=O)=O 161121500 YKTAAIGTKZIFAH-JTQLQIEISA-N 237.365 0.955 70 10 BCIE CCOC(=O)CNC(=O)Nc1cccnn1 161132595 GONMRTHQSVMODO-UHFFFAOYSA-N 224.220 0.161 70 10 BCIE COC(=O)c1ccc(CS(=O)(=O)Cl)cn1 257981155 OGQWLWZGRRRUBW-UHFFFAOYSA-N 249.675 0.937 70 10 BCIE O=S(=O)(Cl)[C@H]1CCOC12CCOCC2 725703698 BSDPNUQYNCVFCS-ZETCQYMHSA-N 240.708 0.893 70 10 BCIE C=CCC(=O)N1CC(CS(=O)(=O)F)C1 1897482207 SXYLXHIDEZYURR-UHFFFAOYSA-N 221.253 0.320 70 10 BCIE C[C@H]1CN(S(=O)(=O)F)[C@@H](C)CCO1 1954485278 KUUOESUKJYZWQD-BQBZGAKWSA-N 211.258 0.700 70 10 BCIE O=S(=O)(Cl)NC[C@H]1CCCOC1 167340819 XEPNANXMSVYUAT-ZCFIWIBFSA-N 213.686 0.486 70 10 BCIE C[C@H](COS(=O)(=O)Cl)N(C)C 1880202422 NQFFTMSGYYWTRA-RXMQYKEDSA-N 201.675 0.437 70 10 BCIE CS[C@H](C)CCNC(=O)[C@@H]1COC[C@@H]1N 217321071 OMGNKDXHHXTYDP-HLTSFMKQSA-N 232.349 0.218 70 10 BCIE CC[C@H](CSC)NC(=O)[C@H]1CSCN1 217332877 PXDWDZRTRNENDU-HTQZYQBOSA-N 234.390 0.907 70 10 BCIE NC[C@@]1(N2CCCC2)CCCS(=O)(=O)CC1 217558433 MKBIWPFARSHQQA-LLVKDONJSA-N 246.376 0.378 70 10 BCIE CC[C@@H](CCO)N[C@H]1CN2CCC1CC2 217703603 PEMQGVXVHDSRJL-RYUDHWBXSA-N 212.337 0.831 70 10 BCIE Cn1ncc([N+](=O)[O-])c1CS(=O)(=O)F 1536219472 LWWZUNQLTUKMHH-UHFFFAOYSA-N 223.185 0.128 70 10 BCIE CCCNS(=O)(=O)N(CC)C[C@H](C)CN 160149308 CECBWCIRPKDKPO-SECBINFHSA-N 237.369 0.148 70 10 BCIE NN[C@@H](Cc1cncs1)c1cnns1 160792396 QFQTVEYASRKICF-LURJTMIESA-N 227.318 0.742 70 10 BCIE CCN1CCC(CNS(=O)(=O)Cl)CC1 167346743 CCNZYQKLKHUMTI-UHFFFAOYSA-N 240.756 0.792 70 10 BCIE COC(OC)[C@](C)(O)c1cnc(N)s1 159844004 SNVKFXGVKSZPLS-MRVPVSSYSA-N 218.278 0.552 70 10 BCIE COCCC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H](C1)O2 159999092 NGAJGTMIYADJPG-GARJFASQSA-N 242.319 0.130 70 10 BCIE O=S(=O)(Cl)c1cnn(C[C@@H]2CCO2)c1 1888418813 HUXAUEQOFBPTEF-LURJTMIESA-N 236.680 0.600 70 10 BCIE C[C@@H]1C[C@@H](C)N(S(=O)(=O)F)C[C@@H]1CN 2241921690 ZZHBZLUIMGWWPO-PRJMDXOYSA-N 224.301 0.506 70 10 BCIE O=S(=O)(OC[C@H]1CCCNC1)C(F)(F)F 100111378 GCQFYZSWXRTZPR-LURJTMIESA-N 247.238 0.852 70 10 BCIE CCOC(=O)[C@@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 217565883 OJEFORXWJZGBSX-IWSPIJDZSA-N 229.276 0.622 70 10 BCIE O=C1CC[C@H](O)[C@H](Cc2ccccc2)N1 217371206 CCAPJJKAQHXOPN-QWRGUYRKSA-N 205.257 0.869 70 10 BCIE N[C@@H](CCO)c1ccc2c(c1)C=CS2(=O)=O 217099445 ZKMNDJKPFYUFRA-JTQLQIEISA-N 239.296 0.827 70 10 BCIE CC[C@H](C)NCC(=O)Nc1cccnn1 161098981 SUSHULAPDWTUME-QMMMGPOBSA-N 208.265 0.803 70 10 BCIE CNS(=O)(=O)N(C)Cc1cccc(N)c1 160211694 IUKMLUTWGXQDNS-UHFFFAOYSA-N 229.305 0.165 70 10 BCIE CCn1c(=O)[nH]c2c(F)cccc2c1=O 160267652 GLECSKBUUFTFFF-UHFFFAOYSA-N 208.192 0.849 70 10 BCIE Cn1cc(OC[C@H]2CC[C@H](CN)O2)cn1 161312013 JECKBQOHEVOVLL-RKDXNWHRSA-N 211.265 0.305 70 10 BCIE Cc1ccnc(CS(=O)(=O)Cl)n1 575468629 RZTWERFWGNKZFG-UHFFFAOYSA-N 206.654 0.854 70 10 BCIE COC(=O)c1cccc(N)c1S(=O)(=O)F 757567589 PDCNPNUCERFAMD-UHFFFAOYSA-N 233.220 0.714 70 10 BCIE CO[C@H]1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)F 1955503864 CKRMIRHGTLMWMM-HSNKUXOKSA-N 223.269 0.604 70 10 BCIE F[B-](F)(F)CN1CCC2(CC1)CNCCO2 1959472204 LWEXJVQDWVMWHD-UHFFFAOYSA-N 237.054 0.827 70 10 BCIE C#C[C@@H](C1CC1)N(C)S(=O)(=O)Cl 1881537289 GAPQPNADPYPHNT-ZETCQYMHSA-N 207.682 0.814 70 10 BCIE CC[C@H](CCO)N[C@@H]1CCCNCC1 217704655 OFPLAERKWGASEO-GHMZBOCLSA-N 200.326 0.879 70 10 BCIE O=C(C[C@H]1CCS(=O)(=O)C1)c1cnccn1 160166413 XDTMOFUNSRJHBL-MRVPVSSYSA-N 240.284 0.484 70 10 BCIE CS[C@H](C)CCN1CC(=O)N[C@H](C)C1=O 217325013 POONDAAYWJUQFM-HTQZYQBOSA-N 230.333 0.475 70 10 BCIE CCN(C)[C@@H](C)C[C@@](C)(NC)C(N)=O 218282838 SQPJGOIRFSFEAQ-WCBMZHEXSA-N 201.314 0.180 70 10 BCIE CC[C@@H](CCO)N1C(=O)CC(C)CC1=O 218207059 PSNTVMVLVBYAHU-VIFPVBQESA-N 213.277 0.933 70 10 BCIE O=S(=O)(Cl)c1n[nH]c([C@@H]2CC2(F)F)n1 1928538790 GLOUGKVDRNWYPY-REOHCLBHSA-N 243.622 0.855 70 10 BCIE Cc1nn(C)cc1CNC(=O)N[C@H]1CCOC1 160793618 YEDKXOYQFGGMTJ-JTQLQIEISA-N 238.291 0.317 70 10 BCIE Cc1ccc(C(=N)N)c(N(C)[C@@H]2CCOC2)n1 159619482 WKZILAWZFUNIRW-SECBINFHSA-N 234.303 0.899 70 10 BCIE O=S(=O)(Cl)NC1(CCF)CC1 1880407814 NGHDROFXDIPOGW-UHFFFAOYSA-N 201.650 0.952 70 10 BCIE CN(C[C@H]1[C@@H]2CCO[C@@H]21)S(=O)(=O)Cl 2297045973 LUCADWBGMOGACS-ACZMJKKPSA-N 225.697 0.437 70 10 BCIE O=C(NS(=O)(=O)Cl)C(F)(F)F 104554208 XQEQHQXYXLDUQI-UHFFFAOYSA-N 211.548 0.149 70 10 BCIE CCOC(=O)[C@H](C)CS(=O)(=O)Cl 103899912 RXCUDPMDSVPPQU-RXMQYKEDSA-N 214.670 0.754 70 10 BCIE C[C@@H](C[C@H]1CCNC(=O)C1)S(=O)(=O)F 1952906606 KHEFDJOIFRMSAI-NKWVEPMBSA-N 223.269 0.591 70 10 BCIE O=S(=O)(Cl)N1CCC[C@@]12CCOC2 306487329 IXGXQZNFINKIRM-ZETCQYMHSA-N 225.697 0.725 70 10 BCIE O=S1(=O)CCc2cc(OC3CNC3)ccc21 217099272 BBULXIPKFGZISJ-UHFFFAOYSA-N 239.296 0.367 70 10 BCIE C[C@@H](Cc1cc2ncccn2n1)S(=O)(=O)F 1953040311 FWZLFHXSYSMULA-ZETCQYMHSA-N 243.263 0.960 70 10 BCIE COC[C@H](C)C[C@@H](COC(C)C)NN 159589977 RPYMAPFIMOTTSQ-ZJUUUORDSA-N 204.314 0.916 70 10 BCIE NC[C@@H](C1CCSCC1)N1CCNCC1 216627608 XMSMJQAIKGMMGK-NSHDSACASA-N 229.393 0.362 70 10 BCIE C[C@H](NC[C@@H]1CCC(C)(C)O1)C(N)=O 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218.216 0.636 70 10 BCIE CC(C)OC[C@H](Cc1nccs1)NN 159697090 CLLOWOMTCXQWTA-QMMMGPOBSA-N 215.322 0.943 70 10 BCIE C[C@@]1(CN2C(=O)CCC2=O)CCCNC1 160019764 AUYZYNIJBGUAQA-LLVKDONJSA-N 210.277 0.525 70 10 BCIE Cc1c(CN[C@H](C)[C@@H](C)CO)cnn1C 160154521 BBHMAZVJHWCFIC-DTWKUNHWSA-N 211.309 0.835 70 10 BCIE CCNS(=O)(=O)Nc1cccc(C)c1O 160647235 GMOLRAVMJOIEAP-UHFFFAOYSA-N 230.289 0.967 70 10 BCIE C[C@H](CO)CSc1nc(N)cc(N)n1 160821066 MMBNBNJXSZJBMK-RXMQYKEDSA-N 214.294 0.362 70 10 BCIE COC(=O)CCNC[C@H](C)N1CCCC1 161128160 NESOHEBCXINDFE-JTQLQIEISA-N 214.309 0.623 70 10 BCIE c1cc(CCNCCNC2CC2)ccn1 161437388 MZNKQUOFLHLIRH-UHFFFAOYSA-N 205.305 0.966 70 10 BCIE CC(C)S(=O)(=O)CCN1CCC[C@H](N)C1 216878011 WRVIKGFNZYJBDB-JTQLQIEISA-N 234.365 0.233 70 10 BCIE CCOC(=O)CCNC(=O)Nc1cnccn1 217310560 JWFAXKLPFZIAGE-UHFFFAOYSA-N 238.247 0.551 70 10 BCIE CN(CC1C[C@@H]2CC[C@H](C1)N2)S(C)(=O)=O 217445933 QBETZVLNWXUMON-PBINXNQUSA-N 232.349 0.408 70 10 BCIE CCN(CC)[C@H](CN)[C@H]1CCCCS1(=O)=O 217616553 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CCOC(=O)C(C)(C)C(=O)CSCCO 159767939 GDOLUIKENNYLCY-UHFFFAOYSA-N 234.317 0.870 70 10 BCIE C[C@@H]1CCO[C@H]1c1nc(-c2nnc[nH]2)no1 160241927 KFUJRXTUDLCHCL-PHDIDXHHSA-N 221.220 0.952 70 10 BCIE CCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 161056477 JZPUKULGEQUPSS-SECBINFHSA-N 237.307 0.644 70 10 BCIE CN1CCO[C@@H]([C@@H](N)c2cccnc2)C1 217885378 JHHINKOIFXUCBB-MNOVXSKESA-N 207.277 0.412 70 10 BCIE CCN[C@H]1CCN([C@@H](CC)CCO)C1=O 218539684 KCFOHCAPEHGVRS-UWVGGRQHSA-N 214.309 0.358 70 10 BCIE C[C@H]1C[C@@H]1c1nnc(S(=O)(=O)Cl)n1C 227589162 NYULKKNEEVSMGF-WHFBIAKZSA-N 235.696 0.866 70 10 BCIE CO[C@H](CS(=O)(=O)F)[C@H]1CCOC1 675066821 OWACMJPRDKVJII-NKWVEPMBSA-N 212.242 0.337 70 10 BCIE CN(Cc1cnnn1C)C[B-](F)(F)F 1934963549 CHEUFGDMUWLKAU-UHFFFAOYSA-N 206.988 0.634 70 10 BCIE O=S(=O)(Cl)NC[C@@H]1C[C@@H]2CC[C@H]1O2 1953904011 FXHSYOFCUVQGTQ-LYFYHCNISA-N 225.697 0.627 70 10 BCIE CO[C@@H]1CC(NS(=O)(=O)Cl)C[C@H]1OC 1954925754 DAJTVZUEYAHPBA-RNFRBKRXSA-N 243.712 0.252 70 10 BCIE F[B-](F)(F)CN1CCC[C@@]2(CNCCO2)C1 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