smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)CCS[C@H](C)C(=O)O 19473590 JVFYBHAVKZKIPN-SSDOTTSWSA-N 176.281 2.239 0 20 AEAD CCCCCCNC1CCC(O)CC1 20361293 DOYAAINNCXJCDH-UHFFFAOYSA-N 199.338 2.460 0 20 AEAD CC[C@@H](O)CNC1CCCCCC1 37688709 XPDWSEWJRLDTHQ-LLVKDONJSA-N 185.311 2.070 0 20 AEAD Cc1cccc(OC[C@@H](C)O)c1C 44196023 QIIDMFHGWWYYIH-SECBINFHSA-N 180.247 2.063 0 20 AEAD CCC[C@@H](CC)NC[C@H]1CCOC1 50400735 GTRRMFVGGNBXST-GHMZBOCLSA-N 185.311 2.191 0 20 AEAD CC(C)CC[C@@H](C)NCc1c[nH]cn1 54763500 DWYKXUKCTNMPJI-SNVBAGLBSA-N 195.310 2.324 0 20 AEAD CC(C)OC(=O)CSC(C)C 55483476 WGAKROQAERKORF-UHFFFAOYSA-N 176.281 2.080 0 20 AEAD Nc1cnc2c(F)ccc(F)c2c1 62864158 RDOFSVXNRVLBKF-UHFFFAOYSA-N 180.157 2.095 0 20 AEAD CCC(O)(CC)CN[C@@H]1CC[C@H](C)C1 83463863 WNTRGCWWFJHKOR-WDEREUQCSA-N 199.338 2.316 0 20 AEAD C=C/C=C\C(=O)OC(C)(C)C 90734164 JDVCPIAGLULTHC-SREVYHEPSA-N 154.209 2.070 0 20 AEAD C[C@@H]1Cc2c(F)cccc2N1 108331265 BIFQPJOXNSHTLE-ZCFIWIBFSA-N 151.184 2.182 0 20 AEAD CC1(C)CC[C@@H](Nc2cnccn2)C1 122373431 ITWDUJKSVVHLPX-SECBINFHSA-N 191.278 2.467 0 20 AEAD CCCC(=O)N[C@@H]1CC[C@H](C)C1 128062666 IEPRLUXWNNYTRC-DTWKUNHWSA-N 169.268 2.091 0 20 AEAD CCCC(=O)N[C@H]1CC[C@H](C)C1 128062869 IEPRLUXWNNYTRC-IUCAKERBSA-N 169.268 2.091 0 20 AEAD CCCN(CCC)C(=O)NC(C)C 136018086 OISHXDSGGFEGLU-UHFFFAOYSA-N 186.299 2.226 0 20 AEAD C=CC(C)(C)CC(=O)N1CCCC1 146023687 WZVKMUFPSBRUCC-UHFFFAOYSA-N 181.279 2.211 0 20 AEAD CC[C@H](C)[C@@H](C)C(=O)N1C[C@H]2C[C@H]2C1 150102088 OBRNTVHUFYDQAR-ZRUFSTJUSA-N 195.306 2.147 0 20 AEAD Cc1cc(N)c2c(C(C)C)noc2n1 211947191 CCEWWCCFBROAPM-UHFFFAOYSA-N 191.234 2.237 0 20 AEAD CC[C@@H](C)C(=O)N(C)CC(F)(F)F 224130078 WHHRJBTVOROMNT-ZCFIWIBFSA-N 197.200 2.053 0 20 AEAD C[C@H]1CC[C@@H](CNc2ncccn2)C1 230430550 KXCVEESIFXGDIF-VHSXEESVSA-N 191.278 2.325 0 20 AEAD CC(C)(C)[C@@H](CCO)NCCC1CC1 230893479 LBBLOYOVCHDHJV-LLVKDONJSA-N 199.338 2.173 0 20 AEAD CNCC[C@@H]1C[C@H]2CC[C@H]1C2 238346858 OHAFZHIECNNQAT-LPEHRKFASA-N 153.269 2.032 0 20 AEAD CC[C@H](N[C@@H]1CCCC[C@H]1O)C1CC1 251302980 BXKLTBIKUMIMCE-QJPTWQEYSA-N 197.322 2.068 0 20 AEAD CC[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 251401388 YYORKQNZYFABJW-UKKRHICBSA-N 197.322 2.188 0 20 AEAD CC[C@H](C)CN(C)C[C@H]1CCC[C@@H]1O 251740798 GFIPVWLEWWRUGM-TUAOUCFPSA-N 199.338 2.125 0 20 AEAD C[C@H]1C[C@@H](C)C[C@]2(C1)NCCS2 252199312 VZSOHJYNMPYJLF-MYJAWHEDSA-N 185.336 2.475 0 20 AEAD CC(C)(C)[C@H](F)C(F)(F)C(=O)O 257820824 FRNMNJFGFFDFLW-BYPYZUCNSA-N 184.157 2.091 0 20 AEAD C[C@H]1CNc2cccc(F)c2N1 259355967 USAJCDDEXDAFJC-LURJTMIESA-N 166.199 2.052 0 20 AEAD CC[C@H](C)N[C@@H]1CCS[C@H]1C 300334295 ZXBQCZCSDASHTP-XHNCKOQMSA-N 173.325 2.269 0 20 AEAD C[C@@H]1CCC[C@H](Cn2cc(N)cn2)C1 306497018 ZGSREXVXGMYIDV-ZJUUUORDSA-N 193.294 2.292 0 20 AEAD C[C@@H]1CC[C@@H](C)[C@@H](NCCF)C1 307171402 BECRGTHBGINREB-BBBLOLIVSA-N 173.275 2.370 0 20 AEAD CCCCCc1nc(CC)no1 308001564 ZWMVEPFOACCNGR-UHFFFAOYSA-N 168.240 2.365 0 20 AEAD CC(C)=CCNC(=O)[C@@H](C)C(C)C 308145374 LMQZZKQFAYDYOH-JTQLQIEISA-N 183.295 2.361 0 20 AEAD CC(C)CC(=O)NC(C)(C)C1CC1 308172310 ALIOOGQQRDWGGO-UHFFFAOYSA-N 183.295 2.337 0 20 AEAD CC[C@H](C)OC(=O)C[C@H](C)COC 308237443 RHQGKVWLQNPDRG-IUCAKERBSA-N 188.267 2.001 0 20 AEAD CCOCCN1[C@@H](C)CC[C@@H]1CC 308319565 ZLLGBHKRCAXTTP-QWRGUYRKSA-N 185.311 2.286 0 20 AEAD CC[C@](C)(CN[C@H]1CC=CCC1)OC 319472351 QTNFRQPPEPDQSA-NWDGAFQWSA-N 197.322 2.500 0 20 AEAD CC[C@H]1C[C@@H](C)CN1Cc1cnc[nH]1 334439624 UZHFWFXXASASOQ-KOLCDFICSA-N 193.294 2.030 0 20 AEAD CC(=O)N1CC[C@H](C2CCCC2)C1 335590088 FXFXTIQGIYMCOQ-NSHDSACASA-N 181.279 2.045 0 20 AEAD COc1cc(C)c(NC(C)=O)cc1F 335875823 QLIXUDIWXZHNAW-UHFFFAOYSA-N 197.209 2.101 0 20 AEAD CC[C@@H]1CCCN(Cc2ccon2)C1 336579015 CCMIBNSEEJJWEL-SNVBAGLBSA-N 194.278 2.297 0 20 AEAD CCCCO[C@H](C)C(=O)OC(C)C 379374977 OBPHBTBMUMWMAZ-SECBINFHSA-N 188.267 2.143 0 20 AEAD CCC[C@@H](C)NCC1=CCN(C)CC1 379593384 BQFNELLJFQJXBP-LLVKDONJSA-N 196.338 2.027 0 20 AEAD CCC(CC)N(CC)C[C@@H](C)CO 388266551 CMJHAJIKZBZNMW-SNVBAGLBSA-N 187.327 2.125 0 20 AEAD CCCc1nsc(N(C)C(C)C)n1 388591205 LOPWTZQOPALNRF-UHFFFAOYSA-N 199.323 2.335 0 20 AEAD CO[C@H](CN[C@@H]1CCC[C@H]1C)C(C)C 389299713 LQERVMWJBNLPEQ-IJLUTSLNSA-N 199.338 2.436 0 20 AEAD C[C@H](NCC1(C)CC1)[C@@]1(C)CCCO1 393440163 NEAKTZDFWYSIBR-CMPLNLGQSA-N 197.322 2.334 0 20 AEAD CO[C@@H](C)[C@@H](C)NC1(C(C)C)CC1 393455200 GRFBBAMXPCMSDV-ZJUUUORDSA-N 185.311 2.188 0 20 AEAD CCOCC(C)(C)CN[C@@H]1CC[C@H]1C 393669057 QMTKUACJVONKRU-GHMZBOCLSA-N 199.338 2.437 0 20 AEAD CC[C@@H]1C[C@H]1CNC[C@@H]1CCCOC1 395823256 RKLAJNPIQKWZDH-TUAOUCFPSA-N 197.322 2.049 0 20 AEAD CSCC1(Cc2noc(C)n2)CC1 596611664 QFVAYDNJVOGKIB-UHFFFAOYSA-N 198.291 2.064 0 20 AEAD C[C@@H](C(=O)N1CCCC1)c1ccco1 607617735 GWWYGGCDHXDDOX-SECBINFHSA-N 193.246 2.006 0 20 AEAD CCOCCN1CCC[C@@H](C)[C@H]1C 607740725 PPVNHDNEPOZFFQ-GHMZBOCLSA-N 185.311 2.143 0 20 AEAD C[C@@H]1C[C@@H](NC2(C)CCC2)CS1 638892602 JXDXKSFMIVXJGS-RKDXNWHRSA-N 185.336 2.413 0 20 AEAD CCC1CN(C[C@@](C)(CC)OC)C1 639248529 IQQMHMFIFFXZPG-LLVKDONJSA-N 185.311 2.143 0 20 AEAD CC(C)[C@H]1CCCC[C@@H]1NC[C@H](C)N 643528451 JFZQUWWFPKLRTQ-TUAOUCFPSA-N 198.354 2.138 0 20 AEAD Cc1csc(-c2nc(C)ns2)n1 656371679 OJMXWQAYZYYZTH-UHFFFAOYSA-N 197.288 2.278 0 20 AEAD CCCCN1CCCC[C@@H]1[C@H](C)CO 661432429 BISQJYMYCOQDKC-VXGBXAGGSA-N 199.338 2.269 0 20 AEAD O=C(C1CC1)N1CC[C@H](C2CCC2)C1 665676558 ARZUFFVGNVQVDC-NSHDSACASA-N 193.290 2.045 0 20 AEAD CC(C)[C@H](C)N(C)C(=O)CCCF 666026852 LRNRYXIPJALOJW-VIFPVBQESA-N 189.274 2.239 0 20 AEAD CCC[C@H](C)N(C)CCN(C)C1CC1 669692536 KMJRPCOQTCYIQK-NSHDSACASA-N 198.354 2.201 0 20 AEAD c1cc(CN2CCC3(CC2)CC3)on1 677717084 DXJJLQVYSTYQOW-UHFFFAOYSA-N 192.262 2.051 0 20 AEAD CC(C)OCCN1C[C@@H](C)C[C@@H](C)C1 680848884 CENHBGSZJOZJHC-TXEJJXNPSA-N 199.338 2.389 0 20 AEAD COC[C@H]1CCN(CCCC(C)C)C1 682154704 OOMXDCNSQCJFJB-LBPRGKRZSA-N 199.338 2.391 0 20 AEAD C[C@@H]1COC[C@H]1NCCC(C)(C)C 688053782 QICCUXLPZDSFGM-NXEZZACHSA-N 185.311 2.047 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@H]1COC[C@@H]1CC 699552754 LJFMAMWKUYWOEY-RHYQMDGZSA-N 197.322 2.047 0 20 AEAD C=C/C=C\CCNc1nnc(C)s1 713488103 QWMBUHBAMRQQMH-PLNGDYQASA-N 195.291 2.391 0 20 AEAD CC[C@@H]1C(F)(F)C12CCNCC2 719066478 UHVDOGZVDYKLBZ-ZETCQYMHSA-N 175.222 2.031 0 20 AEAD CC/C=C(/C)C(=O)O[C@@H](C)C(=O)CC 729701981 PXVKINPQLSTJRJ-FUOZMLNRSA-N 198.262 2.254 0 20 AEAD CCC/C(C)=C/C(=O)N1CCCCO1 785861470 ZNCJQWLYJWSSEZ-MDZDMXLPSA-N 197.278 2.287 0 20 AEAD CC/C(C)=C\C(=O)NCCC(F)F 1124087749 HOCCZVQMWAOUSU-SREVYHEPSA-N 191.221 2.114 0 20 AEAD CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1F 1263761924 QFUZHWDHPLPMIT-IMSYWVGJSA-N 199.269 2.039 0 20 AEAD CC[C@H](F)C(=O)Nc1cccnc1C 1337536398 UVORCOHALDPNKA-QMMMGPOBSA-N 196.225 2.077 0 20 AEAD O=C([C@H]1C[C@H]1F)N1CCCCCCC1 1337810143 QXGXVEZHKPTMDO-VHSXEESVSA-N 199.269 2.137 0 20 AEAD CC[C@@H](C)[C@H](C)N(C)CC1(C)COC1 1647805117 YHCICMXEMNCCLX-MNOVXSKESA-N 199.338 2.389 0 20 AEAD CCCC(=O)N(CCC)CCC 6039130 KAONDSIEAGDWKS-UHFFFAOYSA-N 171.284 2.435 0 20 AEAD O[C@H](C[C@@H]1CO1)c1ccc(Cl)cc1 34455349 PPFGTXKQLNRFDA-NXEZZACHSA-N 198.649 2.162 0 20 AEAD CCN(CCCCCCN)C(C)C 37082443 NHJOAXJYCYAUAQ-UHFFFAOYSA-N 186.343 2.236 0 20 AEAD C[C@H](Nc1ccccc1CO)C1CC1 37133881 ZICBCXDSKKPFDH-VIFPVBQESA-N 191.274 2.389 0 20 AEAD C[C@H]1CCCCN1CCCNC1CC1 37478471 ZMYSVWCQNIBWDO-NSHDSACASA-N 196.338 2.003 0 20 AEAD O=C(O)Cc1cc2cc(F)ccc2o1 49804354 OBCPUSHYCKCLOK-UHFFFAOYSA-N 194.161 2.199 0 20 AEAD CC(C)(C)NC[C@H]1CCC=CO1 50267085 CZUQFDHGIAQXBD-SECBINFHSA-N 169.268 2.067 0 20 AEAD Cc1ccc([C@@H]2C[C@H]2CN)s1 54586990 IKYKSJSKGCRNTP-JGVFFNPUSA-N 167.277 2.119 0 20 AEAD COC[C@H](C)CN[C@H]1CC[C@@H](C)C1 70643859 YKBVBUDZULRPIO-MXWKQRLJSA-N 185.311 2.047 0 20 AEAD CCCCC[C@@H](C)N[C@@H]1CCOC1 70965632 HCEJNWXCXBVMLX-GHMZBOCLSA-N 185.311 2.334 0 20 AEAD CCCC(=O)N[C@@H]1CCC[C@@H]1C 82432196 AFIIFBLOJZOECF-DTWKUNHWSA-N 169.268 2.091 0 20 AEAD CCCC(=O)N(C)C[C@@H](C)CC 82686903 WQLGQVCUNBPFTF-VIFPVBQESA-N 171.284 2.291 0 20 AEAD CC[C@@H]1CCC[C@@H](NCC(C)(C)O)C1 82847730 ZNRZCFYZGKMZKS-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CCC(CC)N[C@@H](COC)C(C)C 83398863 HDURUXMLKWQMRU-NSHDSACASA-N 187.327 2.436 0 20 AEAD C=CCN[C@](C)(C(C)C)N1CCCC1 96032062 UFEILXIANBAMPR-LBPRGKRZSA-N 196.338 2.230 0 20 AEAD COc1ccc(C(=O)O)c2occc12 108268509 MRAMGJBFXZUBNL-UHFFFAOYSA-N 192.170 2.140 0 20 AEAD CC[C@H](C)C[C@H](C)[C@H](C)O 108290693 CGRIEYNIJQGHBV-CIUDSAMLSA-N 144.258 2.440 0 20 AEAD CC1(C)CC[C@@H](NC(=O)NC2CC2)C1 122342531 BFYFWUVOFZPHSL-SECBINFHSA-N 196.294 2.027 0 20 AEAD C[C@H]1CC[C@H](NCC2(N)CCCC2)C1 129434089 ZSGTWYQEWULHNE-QWRGUYRKSA-N 196.338 2.036 0 20 AEAD CCCC[C@@H](CC)NCC1(O)CCC1 133435178 OHSGBHQDBYEVES-LLVKDONJSA-N 199.338 2.460 0 20 AEAD CC(C)C[C@H](C)NC(=O)NC(C)C 136071461 IUQYDTBNLYZYJQ-VIFPVBQESA-N 186.299 2.129 0 20 AEAD C=CC(=O)NC(C)(C)c1ccccc1 139826425 NTQMYELHSZGLKV-UHFFFAOYSA-N 189.258 2.224 0 20 AEAD Cc1ccc(C(=O)N2CCC2)cc1C 142347485 FDWUERXKPIUKOK-UHFFFAOYSA-N 189.258 2.149 0 20 AEAD c1n[nH]c(SCC2CCCC2)n1 146220405 JMIAFNUUZHWONM-UHFFFAOYSA-N 183.280 2.087 0 20 AEAD C[C@@H]1CCC[C@@H](C)C1NC(=O)O 146243779 BCGMKZVJMBISKG-RNFRBKRXSA-N 171.240 2.079 0 20 AEAD CC(C)c1nnc(-c2ccco2)o1 147251409 NUXGPQBVIJDIIX-UHFFFAOYSA-N 178.191 2.453 0 20 AEAD NCc1cccnc1-c1ccsc1 149482820 BWWOISUDHATAAV-UHFFFAOYSA-N 190.271 2.269 0 20 AEAD O[C@H]1CCCC[C@@H]1C1CCC1 161551570 CFLYEWQEXOFMDQ-ZJUUUORDSA-N 154.253 2.338 0 20 AEAD CC(C)CNCC(C)(C)CCCO 221385187 TYIVKCWDJBFPIS-UHFFFAOYSA-N 187.327 2.031 0 20 AEAD CC1(C)CC[C@@H](NCc2ccno2)C1 231880870 MOPMFAPXFDRSMU-SECBINFHSA-N 194.278 2.343 0 20 AEAD COCCCN[C@@H]1CC(C)(C)C[C@H]1C 234614013 NFHLPZQXXHXVMV-GHMZBOCLSA-N 199.338 2.437 0 20 AEAD C[C@@H](O)C[C@H]1C[C@H]2CC[C@H]1C2 251201036 KRKSORNFMAMUPV-KATARQTJSA-N 154.253 2.194 0 20 AEAD Cc1cnccc1CNC(C)(C)C 306367592 ISIJIYPXCAUHEL-UHFFFAOYSA-N 178.279 2.278 0 20 AEAD c1ccc([C@@H]2C[C@H]3CCNC[C@H]32)cc1 306856935 YWSXOSUUMITXOG-FRRDWIJNSA-N 187.286 2.400 0 20 AEAD CC1=C(c2nc(C)no2)CCC1 307142803 FCAJTCYEEMUCKF-UHFFFAOYSA-N 164.208 2.335 0 20 AEAD CCc1nnc([C@@H]2C[C@@H]2C2CC2)o1 307433152 ZLCAQXOTVRBBDU-HTQZYQBOSA-N 178.235 2.146 0 20 AEAD CCCN1CCC(C)(COC)CC1 308207878 DMEJEBQTHLALTA-UHFFFAOYSA-N 185.311 2.145 0 20 AEAD C1CC(CNCCC2CCOCC2)C1 308531657 CSSBSDYUJMCETA-UHFFFAOYSA-N 197.322 2.193 0 20 AEAD CCCC[C@H](C)NC[C@@H](O)C1CCC1 316798977 RVUYFIIXYAENBJ-CMPLNLGQSA-N 199.338 2.316 0 20 AEAD CC[C@@H]1C[C@H]1CNC[C@@](C)(CC)OC 319690398 QWVRHUYURYDWJM-GRYCIOLGSA-N 199.338 2.437 0 20 AEAD CCC1(CC)CCN([C@@H]2CCOC2)C1 334344996 UCFBCJNOTLTKGV-LLVKDONJSA-N 197.322 2.287 0 20 AEAD O=C(NCC1CCC1)[C@@]12CCC[C@@H]1C2 335558139 GYJYYVZKIHVXOA-ZYHUDNBSSA-N 193.290 2.093 0 20 AEAD CC(C)CC(C)(C)C(=O)N1CCC1 335574486 YGKDPYKOXUQCRE-UHFFFAOYSA-N 183.295 2.291 0 20 AEAD CC(C)Cn1cnc(C(C)C)cc1=O 335904157 ANSSWWNTXGUUAP-UHFFFAOYSA-N 194.278 2.023 0 20 AEAD CC[C@H](C)[C@H]1CCCCN1C(=O)NC 336002826 HHXUDVZWYQDCNU-VHSXEESVSA-N 198.310 2.226 0 20 AEAD CSC1(CNC/C=C/C2CC2)CC1 379286221 HADJKAFFBGCLTR-NSCUHMNNSA-N 197.347 2.438 0 20 AEAD C[C@@H](CO)CSCCCCCF 379333352 MBKXZLTWMVXLIE-VIFPVBQESA-N 194.315 2.488 0 20 AEAD O=[S@](CCC1CC1)C1CCCC1 379337477 XPXWVHGXTKVMIL-GFCCVEGCSA-N 186.320 2.478 0 20 AEAD CC[C@@H](C)C(=O)NC[C@@H](C)C1CC1 379374296 YSTGBQJGPWRHPZ-RKDXNWHRSA-N 183.295 2.195 0 20 AEAD CCCC[C@@H](C)[C@H](C)NCCCO 379416842 SNCGGEYDSRXVFP-MNOVXSKESA-N 187.327 2.173 0 20 AEAD CCCC(=O)OCC1CCC1 388099147 RKAJYDQFANXOSH-UHFFFAOYSA-N 156.225 2.130 0 20 AEAD CC(C)CCC(=O)NC[C@@H]1C[C@H]1C 388774805 HSWKDBRFJIPNGO-ZJUUUORDSA-N 183.295 2.195 0 20 AEAD CC(C)(CCO)CN[C@@H]1CCC1(C)C 389311481 OWNOUJCKUXDHGA-SNVBAGLBSA-N 199.338 2.173 0 20 AEAD CC(C)[C@H](O)CN[C@@H](C)CCC1CC1 393671188 LIGBCHQFAVFYPV-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD CCC1(CN[C@H](C)[C@@H]2CCCO2)CC1 393689682 MIEWJLGHIZTGGX-MNOVXSKESA-N 197.322 2.334 0 20 AEAD CCN(CC)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 527638429 UMEDXXCKPATKPR-INTQDDNPSA-N 195.306 2.147 0 20 AEAD CC(C)O[C@@]1(C)C[C@H]1NC[C@@H]1C[C@@H]1C 529668266 FNHXBNAESGXXDT-YFKTTZPYSA-N 197.322 2.188 0 20 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197.322 2.286 0 20 AEAD CCC(CC)C(=O)Nc1ccccn1 341715 WRMVZTRSQWSTSR-UHFFFAOYSA-N 192.262 2.456 0 20 AEAD CC(C)(CN)CCC(F)(F)F 17438200 KHGCRNAEHOQECG-UHFFFAOYSA-N 169.190 2.314 0 20 AEAD Cc1cccc(OCC[C@@H](C)O)c1 32007457 PVOJSSGMNIKGSW-SNVBAGLBSA-N 180.247 2.145 0 20 AEAD CC[C@H](C)NC(=O)OC(C)(C)C 34338787 JOLOYYRHPUVBJM-ZETCQYMHSA-N 173.256 2.310 0 20 AEAD CCS(=O)(=O)CCCC(C)(C)C 38301836 QXZMMMBYMDAKSA-UHFFFAOYSA-N 192.324 2.247 0 20 AEAD Cn1cccc1CNCC1CCCC1 50595169 VSTIVVQMHKKOFN-UHFFFAOYSA-N 192.306 2.305 0 20 AEAD Cc1ccc([C@H]2CCC[C@@H]2O)cn1 62950548 ZAWONVYGXKATRK-MNOVXSKESA-N 177.247 2.018 0 20 AEAD Cc1cc(C(=O)NC2CC2)ccc1F 63059889 VIVXQYSQXXGDSI-UHFFFAOYSA-N 193.221 2.026 0 20 AEAD CCCCCn1cc(Cl)c(N)n1 69759779 DURDPJGBVUOMLV-UHFFFAOYSA-N 187.674 2.309 0 20 AEAD CC[C@@H]1CCC[C@H](n2cnc(N)n2)C1 70565062 RZAOBFJHCHGOAW-BDAKNGLRSA-N 194.282 2.002 0 20 AEAD C[C@@H]1CC[C@H](NC2CCC(N)CC2)C1 70643951 UKUFFXWKHRQYQJ-YYJSSNLHSA-N 196.338 2.035 0 20 AEAD C[C@@H](N)CSc1ccc(F)cc1 71499686 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193.246 2.285 0 20 AEAD CCCC(C)(C)NC(=O)/C=C/OCC 813400445 RRKAUYFFVXEMSA-VQHVLOKHSA-N 199.294 2.232 0 20 AEAD C/C=C/C=C/C(=O)NCc1ccoc1 918575342 XNVSHEFISHPGAX-MQQKCMAXSA-N 191.230 2.028 0 20 AEAD CCO[C@H]1CCN(CC2CC=CC2)C1 932971639 NSIIDIISTLJENC-LBPRGKRZSA-N 195.306 2.063 0 20 AEAD C=CC(=O)N[C@H]1C[C@H]1C1CCCCC1 1336702044 MPJMTIOEMIHVFV-QWRGUYRKSA-N 193.290 2.257 0 20 AEAD C=C=CCNC(=O)NCC[C@@H](C)CC 1345953642 UAOKZAIYJAUBMW-JTQLQIEISA-N 196.294 2.063 0 20 AEAD F[C@H]1CCC[C@@H](NCc2ccon2)C1 1352176724 YSISADAYVZQANT-DTWKUNHWSA-N 198.241 2.045 0 20 AEAD COc1nc(Cl)cc2[nH]ccc12 1525644236 UEYUPLBINFGFSK-UHFFFAOYSA-N 182.610 2.225 0 20 AEAD CC1(C)CC[C@@H](SCC(=O)O)C1 1589223519 AJAGJACZRXBWIS-SSDOTTSWSA-N 188.292 2.383 0 20 AEAD Cc1ccc([S@](C)=O)c(C)c1 5328628 FCJIAOMKFLCKAZ-LLVKDONJSA-N 168.261 2.041 0 20 AEAD O[C@@H]1CCCCC[C@@H]1C1CC1 18299726 BLGPMXQLSDVLND-NXEZZACHSA-N 154.253 2.338 0 20 AEAD CC[C@H](C)Nc1ccccn1 20001615 TVEKXUKOGMAKMP-QMMMGPOBSA-N 150.225 2.292 0 20 AEAD 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198.354 2.154 0 20 AEAD CC[C@@H](C)CN1CCOC[C@H]1C1CC1 677737014 IRFVZHFVHVSLLE-PWSUYJOCSA-N 197.322 2.143 0 20 AEAD CC(C)n1cc(CN(C)C2CC2)cn1 678140646 FUQATLWFYQWPGS-UHFFFAOYSA-N 193.294 2.058 0 20 AEAD CC[C@@H]1CC[C@@H](C)N1C[C@H]1CCCO1 678534467 AXZCAXCKRJCYGM-IJLUTSLNSA-N 197.322 2.428 0 20 AEAD CC(C)(O)CN(CCC1CC1)C1CC1 681704627 GUSGYFWSKPARKO-UHFFFAOYSA-N 197.322 2.022 0 20 AEAD Cc1ccnc(CN2CC[C@H](C)C2)c1 683007068 XTBLELWDLJOJHM-NSHDSACASA-N 190.290 2.232 0 20 AEAD C[C@@H]1C[C@@H]1CN1CCCOC(C)(C)C1 683109586 LVYPIUKSYCOJET-GHMZBOCLSA-N 197.322 2.143 0 20 AEAD CC[C@H]1COC[C@H]1NCC1CC(C)C1 691905350 JVTNMXUOHWHFPI-MMVSWEMESA-N 197.322 2.047 0 20 AEAD C(=C/[C@@H]1CCCCN1)\c1ccccn1 719006701 XGPNDVSSLOYUJS-GUOLPTJISA-N 188.274 2.237 0 20 AEAD CCC1(C)CN(C(=O)OCC2CC2)C1 812520871 ZEMKPVIDFPBSLM-UHFFFAOYSA-N 197.278 2.265 0 20 AEAD CO[C@H]1CC[C@H](N2CCC=C(F)C2)C1 821401174 BJXXJXPVFQOPHR-QWRGUYRKSA-N 199.269 2.113 0 20 AEAD CS[C@@H](C)CCOC(=O)C(C)C 835663023 JJGVMWOOIWCHBC-QMMMGPOBSA-N 190.308 2.327 0 20 AEAD Cc1ncoc1CNC(C)(C)C1CC1 894267249 XHUPIHWVMRUPEP-UHFFFAOYSA-N 194.278 2.261 0 20 AEAD CCC(C)(C)NC(=O)/C=C(/C)Cl 900092748 PQJMGWSYQJOLKR-SREVYHEPSA-N 189.686 2.434 0 20 AEAD CCC(=N)NOC[C@H]1C[C@H]2C=C[C@@H]1C2 902218355 IOPAVZJOZILQRZ-IVZWLZJFSA-N 194.278 2.107 0 20 AEAD COCCNc1cccc2cc[nH]c12 905106041 MURMTVWKXWKIGK-UHFFFAOYSA-N 190.246 2.226 0 20 AEAD CC1(C)CC2(C1)N=C(C(C)(C)C)NO2 1121298910 NMRFPFKYGKPDGG-UHFFFAOYSA-N 196.294 2.482 0 20 AEAD CC1(CC(F)(F)F)CC(C(=O)O)C1 1898225816 UTQYVRALEPYUQG-UHFFFAOYSA-N 196.168 2.440 0 20 AEAD CCNC1[C@@H](C)CCC[C@@H]1C 19515266 OZBGRLCYCDBCFL-IUCAKERBSA-N 155.285 2.421 0 20 AEAD CCCCNCc1scnc1C 37927272 PVILZQCEJWTHPV-UHFFFAOYSA-N 184.308 2.341 0 20 AEAD C1CCCC(NC[C@H]2CCCN2)CC1 40397402 BPFQTJPBCKOZEA-GFCCVEGCSA-N 196.338 2.051 0 20 AEAD CC[C@H]1CCCC[C@@H]1NCCC(=O)O 42579327 KXYBBZJHXXFLHV-UWVGGRQHSA-N 199.294 2.020 0 20 AEAD C[C@@H](Nc1nccnc1Cl)C1CC1 43537743 SAAJFTMLIQHCER-ZCFIWIBFSA-N 197.669 2.340 0 20 AEAD CCC[C@H](N)c1ncccc1C 43616594 WGXKOFUCZSBSMJ-VIFPVBQESA-N 164.252 2.190 0 20 AEAD CCc1ccc(OC[C@H](C)O)cc1 44473638 OBKXMPHEVOXQIA-VIFPVBQESA-N 180.247 2.009 0 20 AEAD Cc1ccc(C)c([C@@H]2C[C@@H]2N)c1 49670062 OVZWDTMDTJLUHH-QWRGUYRKSA-N 161.248 2.118 0 20 AEAD CS[C@@H](C)CNCCC(C)C 53646681 ZWEFBGFWNSMUDB-VIFPVBQESA-N 175.341 2.374 0 20 AEAD C/C=C(\C)C(=O)OC1CCCC1 59457137 RHODNWCBNZGUKH-FPYGCLRLSA-N 168.236 2.438 0 20 AEAD Cc1nnc(C2CCCC2)o1 64556830 JDIBGJKNOUYRJY-UHFFFAOYSA-N 152.197 2.036 0 20 AEAD CC1(C)C[C@H](N[C@H]2CC2(C)C)CCO1 69890635 VYKWPGFQOZEMBH-ZJUUUORDSA-N 197.322 2.332 0 20 AEAD CCC1CCC(CNC(C)=O)CC1 70228612 BTHYNLCTOMXIRQ-UHFFFAOYSA-N 183.295 2.339 0 20 AEAD CC[C@H](COC)NCC1CCCC1 70623822 WKMXYQLEHGYOGC-LLVKDONJSA-N 185.311 2.191 0 20 AEAD C[C@H]1CC[C@H](NCc2ccncc2)C1 70642878 ZAVVGTVGAAVPPZ-JQWIXIFHSA-N 190.290 2.360 0 20 AEAD C[C@H](C(=O)c1ccco1)C(=O)C1CC1 70952960 RQLLGQCDSUEHSY-ZETCQYMHSA-N 192.214 2.078 0 20 AEAD CC[C@@H](C)[C@@H]1CCCNCC1 76591317 LKWPXPKBNIKMCJ-NXEZZACHSA-N 155.285 2.422 0 20 AEAD CCCCCNc1cc(OC)ncn1 82482196 UJGQLLKHRSSUNP-UHFFFAOYSA-N 195.266 2.087 0 20 AEAD CCC[C@@H]1CNCCN1CCC(C)C 82926789 OZGIYSSURPUKBJ-GFCCVEGCSA-N 198.354 2.106 0 20 AEAD OCCc1csc(C(F)(F)F)c1 84285375 HYWFVKUGYAOCHL-UHFFFAOYSA-N 196.193 2.302 0 20 AEAD CC(C)(O)CCNCC1CCCCC1 86235241 LBXSNRYRFSNICK-UHFFFAOYSA-N 199.338 2.317 0 20 AEAD CONC(=O)C1(CC(C)C)CCCC1 87263002 BGHGLRRLCWAODI-UHFFFAOYSA-N 199.294 2.271 0 20 AEAD COC[C@@H](N[C@@H](C)CC(C)C)C1CC1 87478205 JMPRRMZLMUDNOY-CMPLNLGQSA-N 199.338 2.436 0 20 AEAD O=C1OCC[C@H]1C1CCCCC1 118584264 BBDUBWZEVHPKHW-VIFPVBQESA-N 168.236 2.130 0 20 AEAD CCCC(C)(C)NCC1CCNCC1 126060001 HMMOFMOWZVFTRT-UHFFFAOYSA-N 198.354 2.154 0 20 AEAD CC1CC(N[C@H](C)C2CCOCC2)C1 130380633 XHPYJSXIFHDOQX-SQLBVSGCSA-N 197.322 2.190 0 20 AEAD CC[C@H](C)N(C)CC[C@H](N)C(C)C 134161981 BWBIMQWSVBOFNN-QWRGUYRKSA-N 186.343 2.090 0 20 AEAD CC(C)(C)C(=O)[C@H]1CCCC[C@@H]1N 210465757 QDHVPCFGDGPHKN-IUCAKERBSA-N 183.295 2.119 0 20 AEAD COCC[C@@H](C)Nc1ccc(F)nc1 221261766 SOSMZBOSMQZFMC-MRVPVSSYSA-N 198.241 2.058 0 20 AEAD CC[C@@H](O)COc1cccc(C)c1F 230933507 MFTZVMKQAADYCY-SECBINFHSA-N 198.237 2.284 0 20 AEAD CC(C)CNC(=O)C[C@@H]1C=CCC1 232667334 WJNGCOAECQLEBE-SNVBAGLBSA-N 181.279 2.115 0 20 AEAD CC[C@@H](CO)N[C@H]1CC(C)(C)C[C@H]1C 233882907 ZWVGESZQENUOOP-VWYCJHECSA-N 199.338 2.172 0 20 AEAD CC[C@@H](N)c1cc(C)c(O)cc1C 238271754 AZJIBUJOYAQMSZ-SNVBAGLBSA-N 179.263 2.419 0 20 AEAD CC(C)[C@@H](C)N[C@H]1CC[C@@H](CO)CC1 252709152 CDACZDXNIZFRFG-UTUOFQBUSA-N 199.338 2.172 0 20 AEAD C[C@@H](NC[C@@H]1C[C@H]1C)C1CCOCC1 252712145 LPHWLQPAHZJYTM-FOGDFJRCSA-N 197.322 2.047 0 20 AEAD C[C@H](O)C[C@H](C)N[C@@H]1CCCC[C@H]1C 252764813 PDWYWBRVOATVDW-NOOOWODRSA-N 199.338 2.314 0 20 AEAD CC[C@H](C)[C@H](C)N[C@H](C)c1ncc[nH]1 252978113 AJWZERKGRWDWIM-LPEHRKFASA-N 195.310 2.495 0 20 AEAD CC(C)C[C@H](O)CN[C@H]1CC[C@H](C)C1 253194781 QPTAVPAZMVLUNX-SRVKXCTJSA-N 199.338 2.172 0 20 AEAD CC(C)=CCNC(=O)C=C(C)C 300783993 VYDOPZXRNUGXMY-UHFFFAOYSA-N 167.252 2.035 0 20 AEAD Cn1ccc(CN[C@H]2CCC[C@H]2F)c1 306761813 CZJWUPLVATZRCW-MNOVXSKESA-N 196.269 2.005 0 20 AEAD c1cc(-c2nc(C3CC3)no2)co1 307209778 PLKKOTZQQGFWFY-UHFFFAOYSA-N 176.175 2.207 0 20 AEAD CCc1noc(C2CC=CC2)n1 307531019 WNDAZGPNDJPCHX-UHFFFAOYSA-N 164.208 2.066 0 20 AEAD COC[C@@H](C)SCCOC(C)C 307976272 LKDHKZMEFVUCAD-SECBINFHSA-N 192.324 2.180 0 20 AEAD O=C(CCCC1CC1)NCC1CC1 308185900 JADGTIGHSDSYDN-UHFFFAOYSA-N 181.279 2.093 0 20 AEAD CCC(CC)SCc1cnnn1C 308367710 OVFKQBVULYVJCM-UHFFFAOYSA-N 199.323 2.237 0 20 AEAD CCCN(C)CC1CC(OCC)C1 308367721 OVNWHYNGQPAEGJ-UHFFFAOYSA-N 185.311 2.143 0 20 AEAD CC/C=C(\C)C(=O)N1CCC[C@H]1C 308472126 KYXRKAZWTUTIPA-OLKPEBQYSA-N 181.279 2.354 0 20 AEAD C[C@@H](NCCCF)c1cccc(O)c1 308560016 VHIADQRJFVTWEF-SECBINFHSA-N 197.253 2.402 0 20 AEAD CC[C@H](C)[C@@H](C)N[C@@H](CO)CC1CC1 308631259 ZBGFLLMZSTVKLQ-HOSYDEDBSA-N 199.338 2.172 0 20 AEAD CC(C)(C)CCNC[C@H](O)C1CCC1 316809096 SVCFDFCTXOVLDC-NSHDSACASA-N 199.338 2.173 0 20 AEAD CC/C=C\CNC[C@](C)(CC)OC 319636099 MNQVGQSDGSBPSN-TVRMLOFPSA-N 185.311 2.357 0 20 AEAD CC1(C)CCC(N[C@H]2C[C@@H](O)C2)CC1 334620497 HHVAWXFZPZBQNA-PHIMTYICSA-N 197.322 2.068 0 20 AEAD CCN(CC)C(=O)[C@@]12CCC[C@@H]1C2 335451287 GZZKYRSARHBRGM-MWLCHTKSSA-N 181.279 2.045 0 20 AEAD Cc1oncc1CN1C[C@@H](C)C[C@H]1C 335739913 NCLDEIOXXIWMKK-DTWKUNHWSA-N 194.278 2.213 0 20 AEAD Cc1ccc(CN2CC[C@H](C)C2)cn1 336028944 CJZKQVQUTLCUOW-JTQLQIEISA-N 190.290 2.232 0 20 AEAD CCC1(NC(=O)c2ccsc2)CC1 336303684 UGJGFUFPEDASES-UHFFFAOYSA-N 195.287 2.421 0 20 AEAD C[C@H]1C[C@@H](C)N(C(=O)C2CCCC2)C1 336344486 QXULLPNHGOEVRI-VHSXEESVSA-N 195.306 2.434 0 20 AEAD CC[C@H]1CCCN1c1cc(C)ncn1 336362474 KKQOQUQNXWWDFI-JTQLQIEISA-N 191.278 2.164 0 20 AEAD CC(C)=CCNC(=O)N1CC[C@H](C)C1 336575289 OEFDMRHVYAADGI-JTQLQIEISA-N 196.294 2.004 0 20 AEAD CO[C@@H]1[C@H](C)[C@H](NCC2CC2)C1(C)C 379546692 XJCTZTIJDRGVGI-DVVUODLYSA-N 197.322 2.046 0 20 AEAD C/C=C/COC(=O)CSC(C)C 393376595 WFZQXJOENLEVLJ-SNAWJCMRSA-N 188.292 2.247 0 20 AEAD CC1(C)C[C@@H](NC/C=C/C2CC2)CO1 396841232 CUURAMFPWSHYCW-PGLGOXFNSA-N 195.306 2.110 0 20 AEAD CC[C@@H](NCCCCO)[C@@H]1CC1(C)C 397845486 YZUYKPUXDRWLKV-WDEREUQCSA-N 199.338 2.173 0 20 AEAD Cc1ccc2c(c1)[C@H](N)[C@H](F)CC2 536952752 FOEAPQMFLORFBN-MNOVXSKESA-N 179.238 2.279 0 20 AEAD CC[C@@H]1C[C@H](C)CN1C(=O)C1CCC1 608611819 PYIGKTHAFXPQFQ-GXSJLCMTSA-N 195.306 2.434 0 20 AEAD CC1(C)C[C@@]1(C)NC(=O)CC1CC1 620081538 GBOUOWUWLJHJTE-LLVKDONJSA-N 181.279 2.091 0 20 AEAD CC(C)CCN[C@@H]1CCCCC[C@@H]1N 643454445 WDTGULYIBLOYEL-NWDGAFQWSA-N 198.354 2.282 0 20 AEAD CNCCCN[C@H](C)CCC=C(C)C 643498380 NZPKEKPNVUNASW-GFCCVEGCSA-N 198.354 2.320 0 20 AEAD CC(C)Cn1cc(C(C)(C)C)nn1 656443097 QVNZMEMBCSNFHN-UHFFFAOYSA-N 181.283 2.232 0 20 AEAD CC[C@@H](COC)N[C@@H]1C[C@H]1CC(C)C 657016645 IHBKDBRDDSVMHZ-GRYCIOLGSA-N 199.338 2.436 0 20 AEAD CCOC[C@@H]1CCCCN1CC1CC1 657111556 VTCDUCMJDGRAOC-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CC[C@@H](N[C@@H](C)C1(CO)CC1)C(C)C 658159338 IWDHKOVFLFDYQI-WDEREUQCSA-N 199.338 2.172 0 20 AEAD CCC(CC)CN[C@H]1CCN[C@H](C)C1 666873272 STMXBVONOLWAJT-PWSUYJOCSA-N 198.354 2.153 0 20 AEAD CC(C)CO[C@@H]1CCN(CC2CC2)C1 675639236 GCZYBBFTKGUTTC-GFCCVEGCSA-N 197.322 2.143 0 20 AEAD CC1(NC(=O)[C@H]2CC=CCC2)CCC1 677254935 PVZHXVGBEYPJIE-JTQLQIEISA-N 193.290 2.402 0 20 AEAD CC/C=C\CCN1C[C@H](C)OC[C@@H]1C 681019083 QQRPIVKGEXOQMO-YGABWQLJSA-N 197.322 2.452 0 20 AEAD C/C=C/C(=O)NCC[C@H](C)CC 696144315 PTUZRVINTMSBSW-OTQAPUNGSA-N 169.268 2.115 0 20 AEAD C[C@@H]1CCN(CC[C@@H](C)O)C[C@H](C)C1 723789203 DUFYMFQBHWWQRY-IJLUTSLNSA-N 199.338 2.125 0 20 AEAD CCCC[C@@H]1CCC[C@H]1NCC(=O)O 820311037 MAWBTYGJFMPTCJ-NXEZZACHSA-N 199.294 2.020 0 20 AEAD CC[C@@H]1COC[C@@H]1NCC(C)(C)CC 829421179 SPMFCGFVKYELLC-MNOVXSKESA-N 199.338 2.437 0 20 AEAD CC[C@@H]1CCC[C@@H]1C(=O)OCCF 835174608 LQJIDECQMQYAQH-BDAKNGLRSA-N 188.242 2.325 0 20 AEAD CCC1(C(=O)N[C@H]2CC23CCC3)CC1 874781842 BYKHNCWZDIRZEF-VIFPVBQESA-N 193.290 2.235 0 20 AEAD CC(C)[C@H](F)C(=O)N[C@@]12CCC[C@@H]1C2 887034616 DJUYATQCMREWDN-WCABBAIRSA-N 199.269 2.039 0 20 AEAD CC(C)=C(C)C(=O)Nc1conc1C 892321439 CYGGAIOXMUECDN-UHFFFAOYSA-N 194.234 2.278 0 20 AEAD C[C@@H]1CC[C@H](OC(=O)CCF)C1 892940249 UKQOSPVLDPKIHO-SFYZADRCSA-N 174.215 2.078 0 20 AEAD Cc1ncoc1CN1CC[C@H]1C(C)C 894137450 QXOXCFPANVUPPM-JTQLQIEISA-N 194.278 2.213 0 20 AEAD CC(C)n1ncc2sccc2c1=O 899349023 SPAJPKBPOSWEHX-UHFFFAOYSA-N 194.259 2.039 0 20 AEAD CC/C=C(/C)C(=O)NC/C=C/C1CC1 1117771880 RSNKQPSOCNROGQ-JQGVROHRSA-N 193.290 2.425 0 20 AEAD CCCOc1cccc(CO)c1F 1975563717 UTWIDDBPKLCDQF-UHFFFAOYSA-N 184.210 2.107 0 20 AEAD C[C@H](CCCO)C(C)(C)C 38809950 IECJUMYEWJOKHM-MRVPVSSYSA-N 144.258 2.441 0 20 AEAD Cc1cccc(Cn2cccn2)c1 41367041 BAIABWYPFUCBOV-UHFFFAOYSA-N 172.231 2.240 0 20 AEAD CCCOC(=O)c1ccc(NC)cc1 41570910 SIGFKXZWHVCUOO-UHFFFAOYSA-N 193.246 2.295 0 20 AEAD C=CC(=O)NC[C@H]1CCCC[C@H]1C 42866229 GGXHQLVBLYYFAP-NXEZZACHSA-N 181.279 2.115 0 20 AEAD OCCCCNC1CCCCCC1 43445442 JMTOASDFPSXDSG-UHFFFAOYSA-N 185.311 2.071 0 20 AEAD C[C@@H]1CCCC[C@H]1NCc1ncc[nH]1 49714571 WYTUVXIWLQTTAX-NXEZZACHSA-N 193.294 2.078 0 20 AEAD CCc1ccc(CSCCO)cc1 49962213 VJFGVABLYIPFHP-UHFFFAOYSA-N 196.315 2.475 0 20 AEAD Fc1ccc([C@@H]2CCNC2)c(F)c1 50267048 QSBSGFHTQBDWJV-SSDOTTSWSA-N 183.201 2.042 0 20 AEAD C[C@@H]1CCCN(C(=O)[C@H](C)C2CC2)C1 62105401 WNKBPZJVAXETJG-NXEZZACHSA-N 195.306 2.291 0 20 AEAD COC[C@H](C)NCC1CCC(C)CC1 63144873 BDMHKSMUMMEECV-CXQJBGSLSA-N 199.338 2.437 0 20 AEAD CN(C)c1ccc(C=O)cc1Cl 74934075 ULIBQSDNJYRNHR-UHFFFAOYSA-N 183.638 2.219 0 20 AEAD Cc1cccc([C@@H]2CCN2)c1 78677973 NCWUVPXYGSORNF-JTQLQIEISA-N 147.221 2.029 0 20 AEAD CC[C@H](CO)N[C@@H]1CC[C@H](C)[C@H](C)C1 82836082 INPZJGCJNADLEW-IRCOFANPSA-N 199.338 2.172 0 20 AEAD CCC(CC)CNC[C@@](C)(O)CC 83463280 NHLMMIDQBCJNOL-NSHDSACASA-N 187.327 2.173 0 20 AEAD C[C@@H](NC[C@@H]1CCCO1)c1ccoc1 87289543 MJXRCIWRWUBAIL-KOLCDFICSA-N 195.262 2.109 0 20 AEAD C[C@H](CF)NCc1ccccc1 107121346 QDEDQSVMGQWILD-SECBINFHSA-N 167.227 2.134 0 20 AEAD CCOc1ccc(F)c([C@@H](C)O)c1 107996630 RHAWLEFSDDFDCY-SSDOTTSWSA-N 184.210 2.278 0 20 AEAD CCN(CC)C(=O)N[C@H]1CCC[C@H]1C 122669797 ZFUDAIQNNIQHRR-ZJUUUORDSA-N 198.310 2.226 0 20 AEAD C[C@@H](Nc1cc(F)ncn1)C1CCC1 124309075 KOCCMDNMJBGWQB-SSDOTTSWSA-N 195.241 2.216 0 20 AEAD Cc1ccc(NCC[C@@H](C)O)cc1 125103085 GCYLXCTYOLYRNP-SNVBAGLBSA-N 179.263 2.178 0 20 AEAD CCCNCCN[C@@H]1CCC(C)(C)C1 129571849 DGERDMLULBQRJK-LLVKDONJSA-N 198.354 2.154 0 20 AEAD CC[C@@H]1CCN(CC2(O)CCCC2)C1 133596432 LQAHJYKSKGMUOP-LLVKDONJSA-N 197.322 2.023 0 20 AEAD CC(C)CN(C)C(=O)[C@@H](C)C(C)C 200914150 AKHPSIIWIZDWKC-JTQLQIEISA-N 185.311 2.393 0 20 AEAD CCNC(=O)c1sc(C)cc1C 202944724 LJEGAGSAAJUQOY-UHFFFAOYSA-N 183.276 2.115 0 20 AEAD C1=CCC(NC[C@H]2CCSC2)C1 224468129 AZWNPPUIVWZFEP-SECBINFHSA-N 183.320 2.048 0 20 AEAD COC1CC(NC[C@H]2CC=CCC2)C1 230689521 KFLATSIDCOOUJJ-UNXYVOJBSA-N 195.306 2.110 0 20 AEAD CC(C)Oc1ccc2nccn2c1 238173975 JIMNGLNMJMCUIT-UHFFFAOYSA-N 176.219 2.122 0 20 AEAD CC(C)[C@H](C)N(C)CCC[C@H](C)O 251334497 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54469134 QJDROXDCHNHDSD-JTQLQIEISA-N 185.311 2.049 0 20 AEAD C[C@@H]1CC[C@H](NC[C@@H]2CCCCO2)C1 70643675 DWMOVCDJAYWTRC-WOPDTQHZSA-N 197.322 2.334 0 20 AEAD Nc1ccccc1OCC1CCC1 76499745 KKIACMJRRFLKIL-UHFFFAOYSA-N 177.247 2.448 0 20 AEAD CC(C)C(=O)COc1ccccc1F 86277067 HUQYNWSMINEEPV-UHFFFAOYSA-N 196.221 2.430 0 20 AEAD CCCCC[C@@H](O)[C@@H](CN)CCC 86325035 JIEBCVJRAFLYBP-GHMZBOCLSA-N 187.327 2.303 0 20 AEAD O[C@@H]1CCCC[C@H]1Cc1cscn1 86359888 LSTJFVAIVAWMLF-WCBMZHEXSA-N 197.303 2.237 0 20 AEAD CC1(C)CCC[C@@H]1NCc1cn[nH]c1 86831086 OSYFBWCCEMDNHQ-JTQLQIEISA-N 193.294 2.078 0 20 AEAD FC(F)CN[C@H]1C[C@H]2CC[C@H]1C2 112509037 MYAMPSISYBRVNV-FXQIFTODSA-N 175.222 2.030 0 20 AEAD CCCC(=O)N1CC[C@@H](C)[C@H](C)C1 135083493 VVDVPXXZMIGXKP-NXEZZACHSA-N 183.295 2.291 0 20 AEAD CCOCc1ccc2c(c1)CCN2 149336530 VFGOCVIHSWJKTM-UHFFFAOYSA-N 177.247 2.191 0 20 AEAD CC[C@H]1CCN(C(=O)C(C)(C)C)C1 157939886 JDGIYLLHRCBELH-VIFPVBQESA-N 183.295 2.291 0 20 AEAD CCCC(=O)Nc1ccc(C)nc1 159209962 WUVWNLCEBKNQHR-UHFFFAOYSA-N 178.235 2.129 0 20 AEAD CCCCC[C@@H](C(N)=O)C(C)C 167661367 KCZKDQQQOLRJPG-SECBINFHSA-N 171.284 2.324 0 20 AEAD Cc1coc(C)c1C(=O)N1CCCC1 170040366 WLZMYPTYRMLXHS-UHFFFAOYSA-N 193.246 2.132 0 20 AEAD CC[C@H](C)C(=O)N(C)[C@H](C)CC 201933245 BYZOVPVBJHNHGC-DTWKUNHWSA-N 171.284 2.289 0 20 AEAD C=Cc1nccc2ncccc12 208346994 JDQZVNQPXCZYPK-UHFFFAOYSA-N 156.188 2.273 0 20 AEAD CC[C@H](C)CN[C@@H]1C[C@@H](OC)C1(C)C 221319208 MGFBFJGFWLYKGZ-HBNTYKKESA-N 199.338 2.436 0 20 AEAD CSC[C@H](C)C(=O)OCC(C)C 221790184 NRYWZUGNPRBRNH-QMMMGPOBSA-N 190.308 2.185 0 20 AEAD C1CC(CNC[C@@H]2CCSC2)C1 224313948 OMOVZMHXDOPZDR-JTQLQIEISA-N 185.336 2.129 0 20 AEAD CC[C@@H](C)N[C@H]1CCc2cccnc21 226796898 MVZFMTWTZXYSRM-KOLCDFICSA-N 190.290 2.457 0 20 AEAD CCC1(CNC(=O)C2CC2)CCC1 227764774 FYHDOMZHILVKOD-UHFFFAOYSA-N 181.279 2.093 0 20 AEAD CC[C@@H](C)NC(=O)C=C1CCCC1 242930851 GZHJQPVBEJWCCD-SECBINFHSA-N 181.279 2.402 0 20 AEAD CC[C@H](NC[C@@H]1CCO[C@H]1C)C1CC1 300376802 KBSPKZBVUHQEPJ-DLOVCJGASA-N 197.322 2.190 0 20 AEAD OCCCc1ccsc1Cl 306262150 YBVUIMXXTNJVOZ-UHFFFAOYSA-N 176.668 2.326 0 20 AEAD CC1CCN(CC[C@@H](C)F)CC1 306275966 DHOUMCHXJDPTLI-SNVBAGLBSA-N 173.275 2.466 0 20 AEAD C[C@H]1C[C@@H]1c1noc(CC2CC2)n1 306297680 XJLQAKGYDRMVEX-XPUUQOCRSA-N 178.235 2.146 0 20 AEAD CC(C)OC(=O)[C@@H]1CC1(Cl)Cl 306561926 TVJOJPXFTYOFAH-YFKPBYRVSA-N 197.061 2.132 0 20 AEAD Cc1nnc(NC2C[C@H]3C[C@@H]3C2)s1 307199122 WTBCEFUOXHRNFZ-RNFRBKRXSA-N 195.291 2.057 0 20 AEAD C[C@@H]1C[C@H]1Cc1nc(C2CC2)no1 307409280 FRBHDLWCWOUQAI-SVRRBLITSA-N 178.235 2.146 0 20 AEAD CCCC(=O)N(C)[C@H](C)C1(C)CC1 308243961 UBPUDJVFVJRZDU-SECBINFHSA-N 183.295 2.434 0 20 AEAD CCN(Cc1cscn1)CC1CC1 308249759 ARWNUDGRDQECLU-UHFFFAOYSA-N 196.319 2.375 0 20 AEAD COC1(CN(C)C2CC2)CCCC1 308253336 HCSSDZUGGGCAJI-UHFFFAOYSA-N 183.295 2.040 0 20 AEAD CC(=O)[C@H](C)SCc1cnoc1C 308309586 QJTCLRAWSMMHJX-QMMMGPOBSA-N 199.275 2.194 0 20 AEAD CCC[C@H](C)C(=O)NCC1CCC1 308318332 WZCPATDNGGAKCM-VIFPVBQESA-N 183.295 2.339 0 20 AEAD c1nc(CNCc2ccsc2)co1 308352122 YYYZAYZAQXAIFB-UHFFFAOYSA-N 194.259 2.026 0 20 AEAD CC[C@]1(C)CCN(C[C@H](O)C(C)C)C1 308449814 CZQYYISVLKAFGA-NWDGAFQWSA-N 199.338 2.125 0 20 AEAD CC[C@@H]1CC[C@@H](C)N(C[C@H](C)CO)C1 308495639 SRTMNXZXFLEEAO-QJPTWQEYSA-N 199.338 2.125 0 20 AEAD COC[C@@H](C)NC[C@@H]1CCC[C@H](C)C1 308722078 DROXEBPOVROVFT-QJPTWQEYSA-N 199.338 2.437 0 20 AEAD CC[C@@H]1CCC[C@@H]1C(=O)NC1CC1 335470256 JUGLLIYYARNHMO-SCZZXKLOSA-N 181.279 2.091 0 20 AEAD CC[C@@H]1CCCCN1c1nnc(C)o1 335844155 STUBNYRMQUUBHR-SECBINFHSA-N 195.266 2.147 0 20 AEAD Cc1noc(C)c1NC(=O)CC(C)C 336366875 LQAGSWGEPCKCDT-UHFFFAOYSA-N 196.250 2.276 0 20 AEAD CC(C)C[C@H](C)CC(=O)NC1CC1 379379760 BIKHEXMRTACCMT-VIFPVBQESA-N 183.295 2.337 0 20 AEAD CC[C@H](C)CNC1(CN(C)C)CCC1 379580700 ZNBMLXSXUVSLLT-NSHDSACASA-N 198.354 2.106 0 20 AEAD CC[C@H](C)CNCCC[C@H]1CCCN1 379611870 UXHSQXXOBZWJNS-RYUDHWBXSA-N 198.354 2.154 0 20 AEAD CO[C@H](C1CC1)[C@H](C)N[C@H](C)C(C)C 388283098 NVXXGMAJXZVECP-SCVCMEIPSA-N 199.338 2.434 0 20 AEAD CC[C@H](C)CN(C)CCC1(O)CCC1 396911674 KBLBHFRNGCDBOP-NSHDSACASA-N 199.338 2.269 0 20 AEAD CO[C@H](CNC[C@@H](C)C1CC1)C1CC1 400196064 PEVUCUPQWFWHLL-BXKDBHETSA-N 197.322 2.047 0 20 AEAD CC(C)C[S@@](=N)(=O)C(C)(C)C 536957456 HFNSLNNUHNPSNZ-LLVKDONJSA-N 177.313 2.488 0 20 AEAD Cc1ccnc(CSC[C@H](C)O)c1 591132533 MSISXKMNCPDFDS-VIFPVBQESA-N 197.303 2.004 0 20 AEAD CSCCCn1cnc(C(C)C)n1 596302329 XBMIOKKFFAJYAV-UHFFFAOYSA-N 199.323 2.155 0 20 AEAD CSC1CCN(C[C@@H]2C[C@@H]2C)CC1 602724312 CVRNGUFUQAIPBC-UWVGGRQHSA-N 199.363 2.470 0 20 AEAD CO[C@H]1C[C@H](N[C@H]2CC=C(C)CC2)C1 628481578 JLHJWNKMYPKRQU-SRVKXCTJSA-N 195.306 2.252 0 20 AEAD CC[C@H](C)[C@H](CN1CC(C)(C)C1)OC 639393550 MYLHFFOCDFZEOC-QWRGUYRKSA-N 199.338 2.389 0 20 AEAD C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2C[C@H]2C)C1 641952230 YQONPTNQDMOGID-YTWAJWBKSA-N 195.306 2.147 0 20 AEAD CCCCCN(C)C[C@@H]1CCCN1C 643256266 NGZWNPAWTUYGDL-LBPRGKRZSA-N 198.354 2.203 0 20 AEAD CC[C@H]1CCCN1C[C@H](OC)C1CC1 644921383 UNRSOWRPNASZES-RYUDHWBXSA-N 197.322 2.286 0 20 AEAD CCN(CCC1CCCC1)[C@@H](C)CO 645231781 TXMBSONQJKJWSF-NSHDSACASA-N 199.338 2.269 0 20 AEAD CC[C@H](C)C(=O)NCCC(C)(F)F 650437791 ZRZAJDFDCSRSFQ-ZETCQYMHSA-N 193.237 2.194 0 20 AEAD CC/C=C/CNC(=O)CCC1CC1 650825651 PDFVUCVMXXIXKQ-ONEGZZNKSA-N 181.279 2.259 0 20 AEAD CCC(C)(C)OCCNC[C@@H]1C[C@@H]1C 651619345 KCQHDXCUGUSZDJ-QWRGUYRKSA-N 199.338 2.437 0 20 AEAD CCOC1CN(C[C@H](C)C(C)(C)C)C1 656657043 ADPLXUIBVXCZDP-JTQLQIEISA-N 199.338 2.389 0 20 AEAD CC[C@@H]1CCCC[C@@H]1NC/C=C\CO 658140450 RWBLPZDDOYCEDM-DUVUQDDDSA-N 197.322 2.093 0 20 AEAD CCN(CCC=C(C)C)CCOC 659854385 VHPGBJGDZYZFMA-UHFFFAOYSA-N 185.311 2.311 0 20 AEAD CC[C@H](C)CN[C@H](CN)C1CCCC1 666971551 VXSVXDCWLIQPFW-CMPLNLGQSA-N 198.354 2.140 0 20 AEAD CC(C)[C@@H]1CCN([C@H]2CCCOC2)C1 674867847 KEFQSGNGSUGJPZ-NEPJUHHUSA-N 197.322 2.143 0 20 AEAD CC(C)C[C@@H](C)N(C)CC1(O)CCC1 675065812 SYPWDGKSCDFDHW-LLVKDONJSA-N 199.338 2.268 0 20 AEAD CCCN(CC)c1ncc(C)c(C)n1 677881029 MAHCYMKICLITLU-UHFFFAOYSA-N 193.294 2.330 0 20 AEAD COCC[C@@H](C)N1CC[C@@H](C2CC2)C1 677905391 ZAKHUOVKMLYHMO-ZYHUDNBSSA-N 197.322 2.143 0 20 AEAD CC[C@H]1C[C@H](C)CN1Cc1cn[nH]c1 678270598 FMYOPENFHDXTIZ-ONGXEEELSA-N 193.294 2.030 0 20 AEAD C[C@@H]1CCCN(C[C@@H]2CC[C@@H](C)O2)C1 682755241 DBXWQVLFYNHLSR-UTUOFQBUSA-N 197.322 2.286 0 20 AEAD CC[C@H](C)N1CCC[C@@H](C(C)(C)O)C1 719685460 XWYZVTAHHCDZGL-WDEREUQCSA-N 199.338 2.268 0 20 AEAD CC(C)COC(=O)/C=C\c1ccc[nH]1 782335156 SBPHVHKQTWIRMN-WAYWQWQTSA-N 193.246 2.227 0 20 AEAD CCO[C@@H]1CCC[C@H]1N[C@H]1CC[C@H]1C 825290017 MOEWJSBJBGCAFC-WRWGMCAJSA-N 197.322 2.332 0 20 AEAD C[C@@H]1COCCN(CC2=CCCC2)C1 828094194 JKERWFGMOSTQAF-NSHDSACASA-N 195.306 2.065 0 20 AEAD C[C@@H](N)CN(C)CCCC1CCCC1 863568367 KXPQLMBXGXUUDV-LLVKDONJSA-N 198.354 2.236 0 20 AEAD CC(C)CCNc1ccc(F)nn1 865398210 TXTSUVZWJCUSOO-UHFFFAOYSA-N 183.230 2.074 0 20 AEAD C=C/C=C\CCNCc1ocnc1C 895542460 ZJVMNBZVNIAEAJ-PLNGDYQASA-N 192.262 2.205 0 20 AEAD CN(CCOC1CC1)C1CC(C)(C)C1 930701942 WZUBYRHBULDMRJ-UHFFFAOYSA-N 197.322 2.286 0 20 AEAD CC(C)[C@@H]1N([C@@H](C)[C@@H](C)O)CC1(C)C 1117697728 MFLWYRSCPILLOL-AXFHLTTASA-N 199.338 2.122 0 20 AEAD CC(C)[C@@H]1N([C@H](C)[C@H](C)O)CC1(C)C 1117697732 MFLWYRSCPILLOL-VWYCJHECSA-N 199.338 2.122 0 20 AEAD CCc1nnc(CSC2CC2)o1 1329282736 CBAIKXKYKKVDDA-UHFFFAOYSA-N 184.264 2.028 0 20 AEAD C[C@@H](C(=O)NC/C=C\C1CC1)C1CC1 1330562427 ANSVXFPKFNMHMQ-PKRMOACSSA-N 193.290 2.115 0 20 AEAD C=CC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 1335287448 MHYHUZUDVBHVHX-DCAQKATOSA-N 195.306 2.361 0 20 AEAD CC[C@H](F)C(=O)NC[C@@H]1CC=CCC1 1336307301 LCWHOVSZLVNSDB-ZJUUUORDSA-N 199.269 2.207 0 20 AEAD O=C(Oc1ccccc1F)[C@H]1C[C@@H]1F 1336958071 KCUPORBYKAVVFD-XPUUQOCRSA-N 198.168 2.089 0 20 AEAD CC[C@@H](C)C(=O)Nc1ccc(O)cc1 365263 BIFLLDWKEOAERG-MRVPVSSYSA-N 193.246 2.377 0 20 AEAD CC[C@H](CO)NC1[C@@H](C)CCC[C@@H]1C 20194572 VDKRJGOGZFQAIJ-GARJFASQSA-N 199.338 2.172 0 20 AEAD CCCCC[C@@H](NCC1CC1)C(=O)O 37967362 SGZWNXQRUKSVFY-SNVBAGLBSA-N 199.294 2.020 0 20 AEAD CC[C@@H](C)NCC1(N)CCCCC1 40408055 XECXITTZLNPKNB-SNVBAGLBSA-N 184.327 2.036 0 20 AEAD CC(C)(C)CNCCCCCCN 40494953 WKQFPCYEWQMZBZ-UHFFFAOYSA-N 186.343 2.141 0 20 AEAD Cc1ccc([C@H](N)C2CCC2)o1 43609687 YOBDSAAHNPIXCK-SNVBAGLBSA-N 165.236 2.388 0 20 AEAD CCN(CC(C)=O)c1ccccc1F 50012280 WPXZBZIHNVFHMT-UHFFFAOYSA-N 195.237 2.241 0 20 AEAD CCC(=O)N(C)c1ccccc1OC 70227274 ZIUUKVKCIUBYQA-UHFFFAOYSA-N 193.246 2.068 0 20 AEAD CC(C)C(=O)N(C)CC1CCCC1 70232932 MCIWLLGKDYYXJF-UHFFFAOYSA-N 183.295 2.291 0 20 AEAD Cc1cc(N(C)C)cc(C)c1C=O 72138212 ADDNDYGTXADGMI-UHFFFAOYSA-N 177.247 2.182 0 20 AEAD in-vitro CCCC(=O)N1CCC[C@@H](C)[C@H]1C 81561107 PJSVXUOOYITULK-NXEZZACHSA-N 183.295 2.434 0 20 AEAD CN(CC1(O)CCCC1)C1CCCC1 83587801 SXYRJVAQFWTEMZ-UHFFFAOYSA-N 197.322 2.166 0 20 AEAD CSc1ccccc1OC[C@@H](C)O 83676577 SNFGLDCFEVVJMK-MRVPVSSYSA-N 198.287 2.168 0 20 AEAD C[C@H](CCO)CN[C@H](C)C1CCCC1 85126481 YWHOSMFPYIWGCW-GHMZBOCLSA-N 199.338 2.173 0 20 AEAD Cc1cnc(OC(C)(C)C)c(N)c1 85426412 CWWGIEQLSIIZOE-UHFFFAOYSA-N 180.251 2.150 0 20 AEAD CC[C@@H](NCC(C)(C)CO)C(C)C 88170562 KFCFPMKIAPZWNQ-SNVBAGLBSA-N 187.327 2.029 0 20 AEAD CC[C@H](C)NC[C@@]1(C)CCCC[C@@H]1O 122507399 YXAMVZHZIXARRK-SDDRHHMPSA-N 199.338 2.316 0 20 AEAD CCC[C@H](O)CN[C@H](C)CC1CCC1 133573901 PDGSLWLAUALFBL-PWSUYJOCSA-N 199.338 2.316 0 20 AEAD CC(C)(C)c1cccnc1O 148116405 HAEHMLXFPSRKAK-UHFFFAOYSA-N 151.209 2.085 0 20 AEAD CCCC[C@@H](C)N[C@@H](CC)CCO 156787568 PWDOUFYMGJVTHR-MNOVXSKESA-N 187.327 2.316 0 20 AEAD CCOC1CC(NCCC(C)C)C1 162774465 PNDSNWOSKMQPGV-UHFFFAOYSA-N 185.311 2.190 0 20 AEAD CCCC[C@H](C)N[C@H](C)C[C@@H](C)O 164544711 OTPYZKQNVUQHMF-HBNTYKKESA-N 187.327 2.314 0 20 AEAD CO[C@@H](C)CN[C@@H](C)C1CCCC1 167081773 BDACWZQLGFFWLP-UWVGGRQHSA-N 185.311 2.190 0 20 AEAD C[C@H](CO)CN[C@H]1CCC[C@@H](C)CC1 226502523 XUTLYXNSXHJPID-WOPDTQHZSA-N 199.338 2.173 0 20 AEAD C[C@@H]1CCCCN1CCCCCCO 226834268 ZCLHHASLYBNHAB-GFCCVEGCSA-N 199.338 2.414 0 20 AEAD Cc1ccc(F)c2c1NCCC2=O 238492756 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C[C@H](CO)CNC1[C@@H](C)CCC[C@@H]1C 226341768 SQUSQRHDLRRPLL-DCAQKATOSA-N 199.338 2.029 0 20 AEAD CC1(C)C[C@@H]1CNc1ncc(F)cn1 227757747 ALIKNNACKBDIPV-SSDOTTSWSA-N 195.241 2.074 0 20 AEAD CCC(O)(CC)CN(C)C[C@H]1C[C@@H]1C 229392636 SFKOQVFGKBCHAR-WDEREUQCSA-N 199.338 2.125 0 20 AEAD CC(C)CCN[C@]1(C)CCO[C@H]1C 232574292 NCQXKUZPDAZMOM-WDEREUQCSA-N 185.311 2.190 0 20 AEAD C[C@H]1CCCC[C@H]1n1cc(N)cn1 238438600 WKNZAUJKWVABET-WCBMZHEXSA-N 179.267 2.217 0 20 AEAD CC(C)S[C@@H]1CCO[C@H]1C 306316090 QTIJCZHZWRBBGH-JGVFFNPUSA-N 160.282 2.305 0 20 AEAD c1cnc(SCC2CCC2)cn1 306447043 CWBBEVCBCIQLCA-UHFFFAOYSA-N 180.276 2.369 0 20 AEAD C/C=C/C(=O)N1C[C@H](C)C[C@H]1CC 306704611 JUNAMKGFZLHNAO-NEPGKVPFSA-N 181.279 2.210 0 20 AEAD C1CC(N[C@H]2CCC[C@H]3C[C@H]32)C1 306790980 ZKHLWSBDOPBSLF-GDPRMGEGSA-N 165.280 2.317 0 20 AEAD Cc1conc1NCc1cncs1 307016599 OYBANAVXKXUOEA-UHFFFAOYSA-N 195.247 2.052 0 20 AEAD CC(C)SCC(=O)OCC1CC1 308003055 BVQWTKNIHBXITN-UHFFFAOYSA-N 188.292 2.081 0 20 AEAD CCCN(CC)c1cc(C)ncn1 308208800 FBRSAJLHDGJLSI-UHFFFAOYSA-N 179.267 2.021 0 20 AEAD CO[C@H](C)CN[C@@H]1[C@@H](C)CC[C@H]1C 308286239 BBTOVYZAHJNLMF-YTWAJWBKSA-N 185.311 2.046 0 20 AEAD C[C@@H]1C[C@@H]1CN(CC(F)F)C1CC1 308318997 XJMPAAMRUOJAKH-HTQZYQBOSA-N 189.249 2.372 0 20 AEAD FC(F)(F)[C@H](NCC1CC1)C1CC1 308400449 HYOQUOITJJMNIU-MRVPVSSYSA-N 193.212 2.327 0 20 AEAD CC[C@H]1CC[C@@H]1NCc1cc(C)on1 308746478 RIUGWXROMVPBCP-ONGXEEELSA-N 194.278 2.261 0 20 AEAD CC[C@@H](CCO)N[C@@H](CC)C1CCC1 322451413 IDUXSBMRMFZPBQ-RYUDHWBXSA-N 199.338 2.316 0 20 AEAD CCN(CC)C(=O)c1[nH]c(C)cc1C 334625266 IQHZVYLMCFVNEP-UHFFFAOYSA-N 194.278 2.114 0 20 AEAD CC(C)CCN1[C@H](C)CC(O)C[C@H]1C 334841039 ZWQCWBCSPYXMHW-GHMZBOCLSA-N 199.338 2.266 0 20 AEAD C1CC(CS[C@H]2CCOC2)C1 334974345 IZDVRULAUMUJOM-VIFPVBQESA-N 172.293 2.309 0 20 AEAD CC1(C)C[C@H]1NC(=O)C1=CCCCC1 336006323 ASSTXUXKTFBWCF-SNVBAGLBSA-N 193.290 2.402 0 20 AEAD FC1=CCCN(CC[C@H]2CCCO2)C1 336050601 KMNPCHIPOXMXPH-LLVKDONJSA-N 199.269 2.115 0 20 AEAD C[C@]1(C(=N)O)CCN(C2CCCC2)C1 336220135 ORMBKKSDURDYJV-NSHDSACASA-N 196.294 2.176 0 20 AEAD CC1=CCCN(C(=O)C[C@@H]2C[C@@H]2C)C1 336531465 JRBWFADZTFMGOH-QWRGUYRKSA-N 193.290 2.211 0 20 AEAD CC1(C)CN(CC2CC2)CCS1 336555796 XUWOXGVJMJQHIP-UHFFFAOYSA-N 185.336 2.224 0 20 AEAD CCCCN1CCOCC2(CCC2)C1 336579145 RECKLCRPQLAUSX-UHFFFAOYSA-N 197.322 2.289 0 20 AEAD CC[C@H](N[C@@H]1CCC1(C)C)C(C)(C)O 378850312 DQQQWTSCKKTVAL-VHSXEESVSA-N 199.338 2.314 0 20 AEAD CC[C@H](NC[C@H](C)CC)C(C)(C)O 378872389 RAHUJXWJNHUTHK-ZJUUUORDSA-N 187.327 2.172 0 20 AEAD CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]1C 379408757 BNUGVTLJMGNJSX-DTWKUNHWSA-N 183.295 2.337 0 20 AEAD CC[C@@H]1CC[C@H]1NCC(O)(CC)CC 379611390 UKVVFYLHPXGFQE-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CCC[C@@H](CC)NCC1(CO)CCC1 379652017 GEKPYWFBVRSVLM-LLVKDONJSA-N 199.338 2.317 0 20 AEAD C[C@@H](CC(C)(C)C)NC[C@H]1CCCN1 384515644 INEBPPXRLAMIDD-WDEREUQCSA-N 198.354 2.153 0 20 AEAD COC(C)(C)CC(=O)OCC(C)C 388720176 SBTHOOYNORGTCM-UHFFFAOYSA-N 188.267 2.001 0 20 AEAD CCC(=O)NC(C)(C)CC(F)(F)F 393540420 XMXZOWBGFYXELG-UHFFFAOYSA-N 197.200 2.244 0 20 AEAD CCC1(NC[C@H](O)C(C)C)CCCC1 394642087 GRHLSIHDKDWFEK-NSHDSACASA-N 199.338 2.316 0 20 AEAD CN(C)C1(CNCCC(C)(C)C)CC1 397852164 KMFIHXFSKSRUNU-UHFFFAOYSA-N 198.354 2.106 0 20 AEAD C/C(Cl)=C\Cn1ccnc1 528404945 SCVDOGDHNJUJQT-FARCUNLSSA-N 156.616 2.026 0 20 AEAD CCN(CCCCO)[C@H](C)C(C)C 590622838 UIANEAJMJHTXJJ-LLVKDONJSA-N 187.327 2.125 0 20 AEAD COCCCN(CC(C)C)C(C)C 613615021 KNQOSRZSKCKNLL-UHFFFAOYSA-N 187.327 2.389 0 20 AEAD CCCC(=O)NC1(CC(C)C)CC1 620281164 MUYMASRXEAHQJZ-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@H]21 639576673 VPCCPTOFCNCYLZ-ZMLRMANQSA-N 195.306 2.086 0 20 AEAD C[C@@H]1CCN1C(=O)C[C@@H]1C=CCCC1 641244229 XJSZZNNPBURQCR-GHMZBOCLSA-N 193.290 2.354 0 20 AEAD C[C@@H]1CC[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C2 643352271 XGENCIFSJQRSNG-MWGHHZFTSA-N 193.290 2.091 0 20 AEAD CCC[C@@H](N[C@H]1CCNC1)C(C)(C)C 643492406 NCTXADHGWOQJPV-WDEREUQCSA-N 198.354 2.153 0 20 AEAD CCCCC(=O)NC1(C(C)C)CC1 647293288 KAGHKIZMICMVDM-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CC[C@@H]1CC[C@H]1N[C@H](C)CCCCO 648702245 FWDWARPILAHDSG-IJLUTSLNSA-N 199.338 2.316 0 20 AEAD C[C@@H](C(=O)NCCC1CC1)C1CCC1 654993930 CMTIKMRBZQFOOE-SECBINFHSA-N 195.306 2.339 0 20 AEAD C[C@H]1C[C@H](NCCCC2CCC2)CO1 657667607 SYBCXJYEFDVJCT-JQWIXIFHSA-N 197.322 2.334 0 20 AEAD CC(C)C(CN[C@H]1C[C@H](O)C1)C(C)C 657809908 UENIZOPCZBZDEA-XYPYZODXSA-N 199.338 2.028 0 20 AEAD CCCN(CCC)C(=O)CCCF 665102756 XXINYCMKQPXEIQ-UHFFFAOYSA-N 189.274 2.385 0 20 AEAD C[C@@H]1CC(C)(C)CN1CC(F)F 665221242 VBQHUVATXXEZGG-SSDOTTSWSA-N 177.238 2.372 0 20 AEAD C[C@H](N[C@H](C)CC1CCCC1)C(=O)O 666578060 IMTAGJHVSLZLQR-BDAKNGLRSA-N 199.294 2.018 0 20 AEAD CCC[C@@H]1CN(CC2CCC2)CCO1 677571104 VJDDXFLEGLFCDI-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD C1CO[C@H](CN2CC[C@H]3CCC[C@H]32)C1 681709946 MZZSTPLMPCPJKT-GRYCIOLGSA-N 195.306 2.040 0 20 AEAD CN(CC[C@H]1CCOC1)CC(C)(C)C 682151528 IWFFBEHQHQCJCO-NSHDSACASA-N 199.338 2.391 0 20 AEAD C[C@@H](CC1CC1)NCC[C@H](C)N(C)C 697856763 AKVCUAZSFFFPON-QWRGUYRKSA-N 198.354 2.105 0 20 AEAD FC[C@H]1CCN(c2cccc(F)n2)C1 711430607 NYNKHVJCLZHCOD-MRVPVSSYSA-N 198.216 2.017 0 20 AEAD CCOC1CC(NC[C@H]2C=CCC2)C1 711787878 OZAHSLUQCMZGRI-UNXYVOJBSA-N 195.306 2.110 0 20 AEAD C=C/C=C/CCN[C@H](C)[C@@H](C)OC 713474845 IPPOHAWIDRKZIM-AFPRHGJPSA-N 183.295 2.132 0 20 AEAD Cc1cc(NC(=O)C2(C)CCC2)no1 749874389 OKKHSMBPOMEELS-UHFFFAOYSA-N 194.234 2.112 0 20 AEAD CC(C)C(=O)CCN1C[C@@H](C)[C@H](C)C1 808732963 QTYICHHXFJPBAD-GHMZBOCLSA-N 197.322 2.189 0 20 AEAD CCC1(N[C@@H](C)C[C@@H]2CCOC2)CC1 834875677 RNEFUXNIBGBGSV-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD CNC[C@H](C)NC1CCCCCCC1 853249358 QBHDVZWGJLRMOR-NSHDSACASA-N 198.354 2.297 0 20 AEAD CC1CC(CN[C@@H](C)c2ncc[nH]2)C1 857082038 KMTBSPUHKVERBC-KYHHOPLUSA-N 193.294 2.106 0 20 AEAD Fc1ccc(N[C@@H]2CC=CCC2)nn1 865546929 KKEXJVVPWDGZLC-MRVPVSSYSA-N 193.225 2.136 0 20 AEAD CCC(=O)OCCCC1CC1 869315776 GGJWAQHQOKTFNO-UHFFFAOYSA-N 156.225 2.130 0 20 AEAD O=C(NC/C=C/Cl)C1CCCC1 891216166 UUUZLXXWSOBZMN-ZZXKWVIFSA-N 187.670 2.045 0 20 AEAD Cc1ccoc1C(=O)N(C)CCCF 895287133 UZCKKMBVBQQWLP-UHFFFAOYSA-N 199.225 2.020 0 20 AEAD CC[C@@H](C)NC(=O)CCC1(C)CC1 929103642 JNVRQOBJMIQQED-SECBINFHSA-N 183.295 2.481 0 20 AEAD CC/C=C\CNC(=O)/C=C(\C)C1CC1 1325391262 WXDOAPMIMHKUEP-HJXNJETESA-N 193.290 2.425 0 20 AEAD CC(C)c1nnc([C@H]2CC2(F)F)o1 1327837093 AREBTIWHUQTMCO-RXMQYKEDSA-N 188.177 2.316 0 20 AEAD CC[C@@H](F)C(=O)N(CC)CC(C)C 1336238441 CSDKYMHXCROENC-SECBINFHSA-N 189.274 2.239 0 20 AEAD CC/C=C/CN(CC(=O)O)[C@H](C)CC 1776744650 IBLQHXUIBUZTAX-VQCYPWCPSA-N 199.294 2.138 0 20 AEAD CCCC[C@H](CC)COC(N)=O 5822112 OZDFMZUKOBBNHM-QMMMGPOBSA-N 173.256 2.298 0 20 AEAD OCCSC/C=C/c1ccccc1 35189252 YUNYRRDUTLUVID-QPJJXVBHSA-N 194.299 2.425 0 20 AEAD C[C@@H](CC(=O)O)Oc1ccc(F)cc1 35740241 RZEIOHDDGGPORL-ZETCQYMHSA-N 198.193 2.068 0 20 AEAD C[C@H]1CCC[C@H](Nc2cnccn2)C1 37253046 INDOGDSMHSHPGL-UWVGGRQHSA-N 191.278 2.467 0 20 AEAD CCCSCC(=O)OC(C)C 42255269 IUJWJSLLHMJCRV-UHFFFAOYSA-N 176.281 2.081 0 20 AEAD CCCNCCNCCC(C)(C)C 53388074 IVOZNRXGPOSMQO-UHFFFAOYSA-N 186.343 2.012 0 20 AEAD CC[C@]1(N)CCOc2ccccc21 62215677 RDGVBNQZPIOJID-NSHDSACASA-N 177.247 2.033 0 20 AEAD CCC[C@H](C)N[C@H](CC)COC 70623648 QTFCECRYTNTGBB-VHSXEESVSA-N 173.300 2.190 0 20 AEAD Cc1ccccc1C(=O)N(C)C1CC1 74830414 DXKXSAUDBDMVFP-UHFFFAOYSA-N 189.258 2.229 0 20 AEAD O=C(N[C@H]1CC=CCC1)c1ccco1 80110965 NQTIOXXMEGYMJY-VIFPVBQESA-N 191.230 2.118 0 20 AEAD CC[C@@H](N[C@H]1CCCC[C@@H]1C)C(=O)O 82757751 QECYSUCROFGCEE-AEJSXWLSSA-N 199.294 2.018 0 20 AEAD C[C@@H](O)[C@@H](C)SC1CCCC1 85502367 XQTRHMDRNWVAIM-HTQZYQBOSA-N 174.309 2.432 0 20 AEAD C[C@H](N[C@@H]1CS[C@H](C)C1)C1CC1 86934822 GOGDMCOKJZZMOK-WEDXCCLWSA-N 185.336 2.269 0 20 AEAD CC(C)SCC(=O)OC(C)(C)C 87222842 YFHBMXACNPZGLV-UHFFFAOYSA-N 190.308 2.470 0 20 AEAD Cc1csc(C[C@H](C)[C@H](C)O)n1 87395853 ZPKKBRNKAPLDQC-XPUUQOCRSA-N 185.292 2.011 0 20 AEAD CC[C@H](C)CN[C@@H](COC)C1CC1 87480221 JAARJSFZQNEMPL-ONGXEEELSA-N 185.311 2.047 0 20 AEAD CCC[C@H](CC)NC[C@@H]1CCCNC1 87647068 DMNLRRPMYKJIJB-NEPJUHHUSA-N 198.354 2.154 0 20 AEAD CCOc1ccc([C@](C)(F)CN)cc1 108307989 KNZDSMSWDHGIRE-LLVKDONJSA-N 197.253 2.229 0 20 AEAD CCC(C)(C)C(=O)N(C)C(C)C 114222152 FTOJPEBLNLJNPL-UHFFFAOYSA-N 171.284 2.289 0 20 AEAD C[C@H]1CC[C@H](NC(=O)c2ccoc2)C1 129880028 ZNOZWGIYZZUHCX-WPRPVWTQSA-N 193.246 2.198 0 20 AEAD C[C@H](c1ccccn1)N(C)CCF 143440239 VNHQOPHOZHDJNW-SECBINFHSA-N 182.242 2.044 0 20 AEAD CC(C)[C@H](C)NC[C@@H]1CC[C@@H](C)O1 148462193 MJGFJUNLXZXFOZ-VWYCJHECSA-N 185.311 2.188 0 20 AEAD CCCc1csc(COC)n1 157233212 PDFZYTTWASLGAX-UHFFFAOYSA-N 171.265 2.242 0 20 AEAD CCNc1nc([C@@H]2CCOC2)cs1 164840985 ZXFCDMYXZRLLLQ-SSDOTTSWSA-N 198.291 2.079 0 20 AEAD CC(C)(C)CNCC1(CO)CCCC1 168588820 DZAWZCFVLVCTGB-UHFFFAOYSA-N 199.338 2.175 0 20 AEAD CNC(=O)C(C)(C)c1ccccc1C 204314334 UTRCCJNJLQKDDN-UHFFFAOYSA-N 191.274 2.019 0 20 AEAD CCC[C@@H]1CCCCN1C[C@@H](O)CC 219361326 NVGNLQCMMVXIBP-NEPJUHHUSA-N 199.338 2.412 0 20 AEAD CC(C)C1CCN(CC(C)(C)O)CC1 225067597 IPVXFPIKFSOHRF-UHFFFAOYSA-N 199.338 2.125 0 20 AEAD C[C@H](CO)CN[C@@H]1C[C@@H](C)CC[C@@H]1C 226336970 PRJXUYACEZSOFA-FIQHERPVSA-N 199.338 2.029 0 20 AEAD CCC[C@](C)(O)CN[C@H]1CC[C@@H](C)C1 229303009 CISBIVNEPOLXNF-WOPDTQHZSA-N 199.338 2.316 0 20 AEAD CC(C)=CCNC(=O)NC(C)(C)C 232590183 UJNJPAISOVPWPK-UHFFFAOYSA-N 184.283 2.050 0 20 AEAD CC(C)C[C@@H](C)CN1CCC[C@@H]1CO 300995381 WFSITCQBPGDPJY-VXGBXAGGSA-N 199.338 2.125 0 20 AEAD CC[C@H](Nc1ccnc(C)n1)C1CC1 306281305 WMMURVSEDBCPCH-JTQLQIEISA-N 191.278 2.386 0 20 AEAD CNc1ccccc1-n1nccc1C 306568891 VLRKFEATCCCMJZ-UHFFFAOYSA-N 187.246 2.222 0 20 AEAD CCc1cc(C(C)(C)C(=O)O)ccn1 307034754 UGALEGLDFJKHSW-UHFFFAOYSA-N 193.246 2.006 0 20 AEAD C[C@@H]1C[C@@H]1CN1C[C@H]2[C@H](C1)C2(C)C 307146127 GZFXLYOMYGVGMB-ZNSHCXBVSA-N 179.307 2.230 0 20 AEAD O=C(O)[C@H](F)c1ccsc1Cl 307344036 YHRGNCBOKPMHOM-SCSAIBSYSA-N 194.614 2.497 0 20 AEAD CCCC(=O)N(C)[C@H]1CC[C@@H](C)C1 308231490 OXPMHRHZQCUISO-ZJUUUORDSA-N 183.295 2.434 0 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CC[C@@H](C)CNCc1ccoc1 63047518 ZETDADMOSLYNCP-SECBINFHSA-N 167.252 2.415 0 20 AEAD CC[C@H](C)N1CCC(CCNC)CC1 69730274 IMWZCPGUGQGBKZ-NSHDSACASA-N 198.354 2.106 0 20 AEAD CNC(=O)c1cccc(Cl)c1C 75852468 NDURQZGZDDZPFZ-UHFFFAOYSA-N 183.638 2.008 0 20 AEAD CC(C)CCC[C@@H](C)N[C@@H]1CCNC1 86725387 HZMSWUBKGHFMLY-VXGBXAGGSA-N 198.354 2.153 0 20 AEAD O[C@H]1CCCC[C@H]1Cc1nccs1 86828122 ZPQLXMMWVUUHDF-IUCAKERBSA-N 197.303 2.237 0 20 AEAD CC1(C)CCCC[C@H]1NC(=O)C1CC1 86879331 OHYBSOVWKZLAMY-SNVBAGLBSA-N 195.306 2.481 0 20 AEAD C[C@@H]1CCC[C@@H]1NCCCF 88024930 SVHHCENLSRKSOS-BDAKNGLRSA-N 159.248 2.124 0 20 AEAD CC(C)NCC1(CCO)CCCCC1 132824329 PYCINSRBOVWWHH-UHFFFAOYSA-N 199.338 2.317 0 20 AEAD CC[C@@H]1CCC[C@@H]1NCC1(C)COC1 133647636 JXYYCTOPMVBYPR-MNOVXSKESA-N 197.322 2.191 0 20 AEAD CCCCN[C@@H](C)c1cn[nH]c1C 134540863 PTEOMVMNXPGGSD-QMMMGPOBSA-N 181.283 2.169 0 20 AEAD Cc1cc(NC[C@H]2C[C@@H]2C)nc(C)n1 136090522 KWCAXWGNPMYFMF-OIBJUYFYSA-N 191.278 2.161 0 20 AEAD NC[C@H](F)Cc1ccc(Cl)cc1 156346342 CRSJRSBDBSHGKH-SECBINFHSA-N 187.645 2.179 0 20 AEAD C[C@@H](CNCC(C)(C)O)C(C)(C)C 162865378 QYTLBXSIDXPHHO-VIFPVBQESA-N 187.327 2.029 0 20 AEAD C/C=C\C(=O)Nc1ccc(O)cc1F 211218223 VOTDGNLPTOQOCZ-IHWYPQMZSA-N 195.193 2.046 0 20 AEAD CCC[C@@H](CNCC(C)C)OCC 211343405 SRFHQKJYHOGAPY-NSHDSACASA-N 187.327 2.437 0 20 AEAD NC[C@H](C(F)F)C1CCCCC1 219497185 DIRNOMVFFQVRPW-QMMMGPOBSA-N 177.238 2.407 0 20 AEAD CC1(CNc2nccs2)CC1 225818781 GYXJEOSOXUAZPW-UHFFFAOYSA-N 168.265 2.355 0 20 AEAD COC(=O)[C@H](C)c1ccsc1C 227850746 YNTIJNSJMSIGOW-ZCFIWIBFSA-N 184.260 2.333 0 20 AEAD FC(F)CNC[C@@H]1C[C@H]2CC[C@H]1C2 251586782 ZBILQQBAFYAEPX-CIUDSAMLSA-N 189.249 2.277 0 20 AEAD C[C@@H]1CCCC[C@H]1NCc1cocn1 306402693 RCGOKVGVYUUCON-MWLCHTKSSA-N 194.278 2.343 0 20 AEAD CCSCc1nnc(C)s1 306433284 WKYLNNFGQWDLNR-UHFFFAOYSA-N 174.294 2.100 0 20 AEAD C[C@H]1C[C@H](C)N(C(=O)CC2CC2)C1 306540983 PHJUQACOWNABBA-IUCAKERBSA-N 181.279 2.043 0 20 AEAD C[C@H]1C[C@H]1CNc1cccc(CO)c1 306982745 JSHUWQOPYHIBEA-ONGXEEELSA-N 191.274 2.247 0 20 AEAD CC(C)=CCCN1CC[C@@H](N)C[C@H]1C 306985105 MXWFXHFYMDWHSP-VXGBXAGGSA-N 196.338 2.154 0 20 AEAD CC(C)[C@H](C)N[C@@H]1CC[C@H]1C 307388737 OTQFYJWDKXZZDD-KXUCPTDWSA-N 155.285 2.419 0 20 AEAD Cc1cncc(NC[C@H]2C[C@@H]2C)c1 307610175 FKXQAJTVKDVJHZ-VHSXEESVSA-N 176.263 2.458 0 20 AEAD CCCN(C)OCc1ccccc1 307679725 NCBPMBJFCWGNME-UHFFFAOYSA-N 179.263 2.460 0 20 AEAD C[C@H]1Cc2ccccc2[C@@H]1NCCF 307745188 RACOEWHEDANLFP-JOYOIKCWSA-N 193.265 2.479 0 20 AEAD C/C=C\C(=O)NC(C)(C)CCC 307926180 GXNWFRVEGGUEIJ-ALCCZGGFSA-N 169.268 2.257 0 20 AEAD C/C=C(/C)C(=O)N[C@@H](C)CCC 307958689 UDTVSZYXFZURLQ-XZLDQRQTSA-N 169.268 2.257 0 20 AEAD CCCC[C@@H](C)N[C@@H](C)CCCN 308181323 CWRKWIBQDHPIKT-MNOVXSKESA-N 186.343 2.282 0 20 AEAD C[C@@H](NCC(C)(C)N)c1cccs1 308216429 ZWMVHIRAHUACAX-MRVPVSSYSA-N 198.335 2.136 0 20 AEAD CCCN(C)c1nc(C2CC2)ns1 308248665 ZVFXRWJERKHFAJ-UHFFFAOYSA-N 197.307 2.262 0 20 AEAD CCC1(C(=O)NCCC2CC2)CC1 308452437 DYFCZFPBZBOUBT-UHFFFAOYSA-N 181.279 2.093 0 20 AEAD CC[C@H](COC)NCc1ccoc1C 308595238 MESUPSLPEUBZIC-LLVKDONJSA-N 197.278 2.103 0 20 AEAD C[C@@H]1CC[C@@H](N(C)Cc2cc[nH]n2)C1 334349237 UTSMLEXJIXUEGW-MWLCHTKSSA-N 193.294 2.030 0 20 AEAD Fc1cccc(CN2CC3(CC3)C2)c1 334743019 POLYEGPECKXHOZ-UHFFFAOYSA-N 191.249 2.422 0 20 AEAD Cn1cc(OCC2=CCCCC2)cn1 334957663 HPHGWCGLLYJMME-UHFFFAOYSA-N 192.262 2.299 0 20 AEAD CC[C@H](C)C(=O)Nc1ncccc1C 335707119 UOKNWNPYDKASNV-QMMMGPOBSA-N 192.262 2.375 0 20 AEAD CC(C)N(C)C(=O)N[C@H]1CC=CCC1 335785943 BSXFIKOCYMOHIG-JTQLQIEISA-N 196.294 2.145 0 20 AEAD CC1(C)CC[C@@H]1NC(=O)C1CC=CC1 336143717 JRABATJYPHGALQ-JTQLQIEISA-N 193.290 2.257 0 20 AEAD Cc1cc(C)c(C(=O)N(C)C(C)C)[nH]1 336533127 FPNMDOUBOZHQMF-UHFFFAOYSA-N 194.278 2.112 0 20 AEAD CC1(C)CCN(C[C@@H]2CCOC2)CC1 336555647 NNHBAQVQEMQFGF-NSHDSACASA-N 197.322 2.145 0 20 AEAD COCC1(N[C@H]2CCC(C)(C)C2)CC1 379574278 JFXOOCFFHISYRZ-JTQLQIEISA-N 197.322 2.334 0 20 AEAD CC[C@@H](C)[C@H](CNC1CC(C)C1)OC 381173225 COFWWDIBDKXFLF-RSJDFQLWSA-N 199.338 2.436 0 20 AEAD C[C@H]1CC[C@@H]1NCCC(C)(F)F 382141326 AUCYVTPPYQNXBF-YUMQZZPRSA-N 177.238 2.420 0 20 AEAD C[C@H](CCCO)CNC1CCCCC1 384402210 CUXZDNGEUBMHJB-LLVKDONJSA-N 199.338 2.317 0 20 AEAD O=C(OCC1CC1)C1=CCCCC1 388319914 WRMNROYBLPMXME-UHFFFAOYSA-N 180.247 2.440 0 20 AEAD CC(C)CN(C1CCCC1)[C@@H](C)CO 388990700 UYIIOHJRLQYIRG-NSHDSACASA-N 199.338 2.268 0 20 AEAD CCN(CCN)C[C@@H]1CCCC[C@@H]1C 394791556 BMCZQKKVVGLTAJ-RYUDHWBXSA-N 198.354 2.093 0 20 AEAD CCC[C@H](C)N[C@H]1COC(C)(C)C1 396806383 NTCNRTXRNNARHA-VHSXEESVSA-N 185.311 2.332 0 20 AEAD CC[C@@H](NCC[C@H](C)CCO)C1CC1 397723146 LDQKFDHAYYXHMR-CMPLNLGQSA-N 199.338 2.173 0 20 AEAD CCC[C@H](O)CN1CC[C@@](C)(CC)C1 399314795 FUPWYMGVMWJWKX-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD CC(C)C[C@@H]1C[C@H](C)N(C)[C@@H](O)C1 536951032 ZTLALMUYSGNJSC-AXFHLTTASA-N 185.311 2.081 0 20 AEAD CC(C)CSCc1cc[nH]n1 590709474 RWMMWXUQQOZFGR-UHFFFAOYSA-N 170.281 2.299 0 20 AEAD CC[C@@H](C)CCNC(=O)CCCF 617642762 IDGFITTUEWRWBF-SECBINFHSA-N 189.274 2.289 0 20 AEAD CO[C@@](C)(CN(C)C(C)C)C1CC1 637837946 NHCUHEMPNCOMAM-NSHDSACASA-N 185.311 2.142 0 20 AEAD C[C@@H]1OCC[C@H]1CN1C[C@H](C)C[C@@H]1C 639496974 YBNQMMPLNKUMNB-RHYQMDGZSA-N 197.322 2.142 0 20 AEAD CCC[C@@H]1C[C@H]1c1nc(COC)no1 643137476 NQFKIBYCKMJHBB-HTQZYQBOSA-N 196.250 2.120 0 20 AEAD C[C@@H](O)CN(C)C[C@H]1CCC[C@@H](C)C1 643356118 SWPOVSJBCAZIAB-UTUOFQBUSA-N 199.338 2.125 0 20 AEAD C[C@H]1CN(C[C@H](C)C(C)(C)C)CCO1 646256142 WCUPETOTSXODDA-QWRGUYRKSA-N 199.338 2.389 0 20 AEAD C[C@@H](CO)N[C@@H](C)[C@H]1CCCC[C@H]1C 648477531 XWVNWWMPWFGMJK-RHYQMDGZSA-N 199.338 2.172 0 20 AEAD Cc1nc(CNCC(C)(C)C)[nH]c1C 657328452 WBUGKGGKZNADFD-UHFFFAOYSA-N 195.310 2.162 0 20 AEAD CC[C@H](N)CN[C@@H]1CCC[C@H]1C(C)C 666911708 ZGVMJVAEIIYRKC-SDDRHHMPSA-N 198.354 2.138 0 20 AEAD CNC(=O)N[C@H]1CCC(C)(C)C[C@H]1C 674029390 OTDZRHWNZNMGFT-BDAKNGLRSA-N 198.310 2.130 0 20 AEAD CCOCCCN1C[C@@H]2CCC[C@H]2C1 674912286 UTBVQASHGYXDAE-RYUDHWBXSA-N 197.322 2.145 0 20 AEAD CCN(C)[C@H](C)c1cnc(C)nc1C 681658622 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851724810 IQUKGXPSNIKISK-QQFIATSDSA-N 195.306 2.181 0 20 AEAD c1c(C2CC2)nnn1CCCC1CC1 871760488 MENBCKYJVZNSBV-UHFFFAOYSA-N 191.278 2.346 0 20 AEAD C=C/C=C\CCNC(=O)N(C)C(C)C 882587080 YPRQQPAJLFVKMA-SREVYHEPSA-N 196.294 2.169 0 20 AEAD CCC[C@H](C)C(=O)N(C)CCCF 895281184 APBOQNALRNBHER-VIFPVBQESA-N 189.274 2.241 0 20 AEAD C[C@@H]1C[C@@H]1CN[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 896404449 VOUYVJVPNAWGOX-QSZMHOAKSA-N 179.307 2.277 0 20 AEAD CC/C=C/CCn1cc(CO)c(C)n1 902498741 JNUQZLIXOZFAIO-SNAWJCMRSA-N 194.278 2.040 0 20 AEAD C[C@H](O)CN[C@@H]1[C@@H](C)CC[C@@H](C)[C@@H]1C 903129125 FQVQMGJGGWGHSG-WTPMCQDGSA-N 199.338 2.028 0 20 AEAD CC[C@H]1CCCCN1CCOC1CC1 929211705 JIRNSHGLWLUCCK-NSHDSACASA-N 197.322 2.430 0 20 AEAD CC[C@H]1CCN(C(=O)C2CCC2)[C@@H]1C 1537762832 JBLTYAAJYXAQDC-ZJUUUORDSA-N 195.306 2.434 0 20 AEAD C[S@](=O)c1c[nH]c2cccc(F)c12 1898196522 LBYJBPWBTHLVML-ZDUSSCGKSA-N 197.234 2.044 0 20 AEAD CC(C)CCNC(C)C 19385645 SZWOFZPDSLAXBP-UHFFFAOYSA-N 129.247 2.031 0 20 AEAD CCC[C@H](N)c1cccc(OC)c1 37465998 RYUMQUUDOXZEBD-NSHDSACASA-N 179.263 2.495 0 20 AEAD CCCC[C@@H](C)NC[C@@H]1CCOC1 37738808 YBNYCSWKWZKLQD-MNOVXSKESA-N 185.311 2.191 0 20 AEAD CC[C@H](C)[C@@H](C)NCc1c[nH]nc1C 38011232 XJXZYUYBRCWZER-DTWKUNHWSA-N 195.310 2.242 0 20 AEAD Cn1ccc2c(F)cccc21 39079979 BFYACAMURHMRIM-UHFFFAOYSA-N 149.168 2.317 0 20 AEAD in-vitro CCOC(=O)[C@@H](C)OCCC(C)C 43638059 XSGGURFSNZDQKV-SECBINFHSA-N 188.267 2.001 0 20 AEAD C[C@@H](O)CCN(C)C1CCCCCC1 44160673 ACZZHOCKZWPDGF-LLVKDONJSA-N 199.338 2.412 0 20 AEAD CCCCCN[C@@H](C)CCOC 45017358 RFASNLLDRYZZQO-JTQLQIEISA-N 173.300 2.191 0 20 AEAD CCc1ccc(N[C@@H]2CCOC2)cc1 70964066 ZUQYDGZYDAEWMA-GFCCVEGCSA-N 191.274 2.450 0 20 AEAD CCCCN(C)C(=O)c1ccns1 74704661 XVAAADFJZMHEFK-UHFFFAOYSA-N 198.291 2.015 0 20 AEAD C[C@H]1C[C@H](n2cc(N)cn2)CC[C@H]1C 82841824 UKZWKNKZMZOXTB-WCABBAIRSA-N 193.294 2.463 0 20 AEAD CC(C)CCSC[C@@H](C)C(=O)O 83050810 QCEMPSJJFPSFPK-MRVPVSSYSA-N 190.308 2.486 0 20 AEAD C[C@@H]1CCCN(CC2(O)CCCC2)C1 83587750 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NFYPKTQNVUUMIE-UHFFFAOYSA-N 195.237 2.274 0 20 AEAD Cc1cc(F)ccc1N[C@@H]1CCOC1 70964114 LGAWXHCAJXNOEF-SNVBAGLBSA-N 195.237 2.335 0 20 AEAD C[C@@H](N[C@@H]1CCCOC1)C1CCCC1 71012421 YBXGKHNWHDGQDS-ZYHUDNBSSA-N 197.322 2.334 0 20 AEAD C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)C 82432741 PIQBNIHEAQCKPN-RKDXNWHRSA-N 183.295 2.337 0 20 AEAD C/C=C/C(=O)N1CCCC[C@H]1CC 82551509 MTLSWSHDZSHGPJ-KFEJWOFMSA-N 181.279 2.354 0 20 AEAD C[C@H]1C[C@@H](NCC(C)(C)O)CC[C@H]1C 82846455 JZBPMTVKULHCPI-VWYCJHECSA-N 199.338 2.172 0 20 AEAD CC1(C)C[C@H](CC(=O)O)C(C)(C)O1 83822446 BXTJBUVMNPYDFT-ZETCQYMHSA-N 186.251 2.055 0 20 AEAD COc1cccc(CC2(CO)CC2)c1 85037537 UEGBKMXMFJCXGI-UHFFFAOYSA-N 192.258 2.010 0 20 AEAD Cc1ccc([C@H](F)C(=O)O)c(C)c1 86242952 DJVJYROUKRJLGY-VIFPVBQESA-N 182.194 2.399 0 20 AEAD Fc1ccc([C@@H]2C[C@H](F)CN2)cc1 107261364 PDIVEBAJCJYAHT-UWVGGRQHSA-N 183.201 2.198 0 20 AEAD CC(C)[C@@H](NC[C@@H](C)CCO)C1CC1 121950288 JQWFBKZSNSSKNS-CMPLNLGQSA-N 199.338 2.029 0 20 AEAD CCN(CC)C(=O)N1C[C@@H](C)C[C@H]1C 125715597 GPYDMDKBEOBKIS-VHSXEESVSA-N 198.310 2.179 0 20 AEAD CCCCCCN(C)[C@@H](CN)C1CC1 126599347 ZFZRQUNBCASGIR-LBPRGKRZSA-N 198.354 2.236 0 20 AEAD C[C@H]1CC[C@@H](NC(=O)c2ccco2)C1 128070430 MIHZZWXOUFYWJP-DTWKUNHWSA-N 193.246 2.198 0 20 AEAD CC(C)(C)ONC(=O)c1ccsc1 134515816 SUMUSMHDXGJEIX-UHFFFAOYSA-N 199.275 2.208 0 20 AEAD COCC(C)(C)NCc1ccc(C)o1 135057316 RRSSQZCNYSQNKG-UHFFFAOYSA-N 197.278 2.103 0 20 AEAD CC(C)CCC(=O)OCC1CC1 164268709 JNBYLYQYWQYNGQ-UHFFFAOYSA-N 170.252 2.376 0 20 AEAD CCN(CCCO)[C@@H]1CCCC[C@@H]1C 220173018 RWUAAOIJCKDTGK-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD CCCCNC1(C)CCC1 228836993 ODJABIZWJBKNCN-UHFFFAOYSA-N 141.258 2.319 0 20 AEAD C[C@H]1CC[C@H](CNCC2(C)COC2)C1 230409117 BVHDJNWMNAQKPI-QWRGUYRKSA-N 197.322 2.049 0 20 AEAD CC(C)(NCc1ccncc1)C1CC1 230673997 LBLPCLIJENKUEZ-UHFFFAOYSA-N 190.290 2.360 0 20 AEAD CC[C@@H]1C[C@H]1Nc1nc(C)cnc1C 231037259 XPIFUHHEWZRGAG-NXEZZACHSA-N 191.278 2.304 0 20 AEAD COC(=O)CCS[C@@H](C)C(C)C 231192473 NVKCMDCUTXZLTH-QMMMGPOBSA-N 190.308 2.327 0 20 AEAD CCN[C@@H](CCCO)c1ccccc1 238252446 JSXZKRIESAIQHQ-LBPRGKRZSA-N 193.290 2.110 0 20 AEAD CC(C)CN[C@@H]1C[C@H]2CC[C@H]1C2 250564242 LMJGZLIKIQFXDA-GARJFASQSA-N 167.296 2.421 0 20 AEAD FCCCN1CC[C@H]2CCC[C@H]21 306473361 DFNKUNUKPCQBLB-NXEZZACHSA-N 171.259 2.220 0 20 AEAD C[C@@H]1CC[C@H]1Nc1cccc(CO)c1 306709758 ROWTVYFRQPRRTJ-BXKDBHETSA-N 191.274 2.389 0 20 AEAD FC1=CCCN(CC2CCC2)C1 307066184 RQKLDEZFTYAUHJ-UHFFFAOYSA-N 169.243 2.346 0 20 AEAD C[C@@H]1CN(Cc2cscn2)C[C@H]1C 307211720 UAIUZLRXXWFDDE-RKDXNWHRSA-N 196.319 2.231 0 20 AEAD Cc1cncc(NC[C@@H]2C[C@H]2C)c1 307610176 FKXQAJTVKDVJHZ-ZJUUUORDSA-N 176.263 2.458 0 20 AEAD C[C@@H]1CSC[C@@H]1NCC1(C)CC1 307645221 XRMXNAIFYMYUIT-BDAKNGLRSA-N 185.336 2.128 0 20 AEAD CC/C=C\CCN(C)C1CC1 307904591 QTNMQFKOKVILSH-PLNGDYQASA-N 153.269 2.437 0 20 AEAD CC[C@H](C)NC(=O)CC1(C)CC1 307951143 ODLMKEVMCGZSOD-QMMMGPOBSA-N 169.268 2.091 0 20 AEAD CC(C)(C)CC(=O)NCCC1CC1 308142463 JMAJVTAIHCDWLW-UHFFFAOYSA-N 183.295 2.339 0 20 AEAD CC[C@@H]1CC[C@H]1N[C@H](C)[C@@H](C)OC 308196595 RKAAVXOMRBSPBM-GWOFURMSSA-N 185.311 2.188 0 20 AEAD Cc1cccc(CN(C)CCF)c1 308305591 NQNMDRCFPJCNFT-UHFFFAOYSA-N 181.254 2.396 0 20 AEAD CCO[C@@H](C)c1nc(C2CC2)no1 308383850 VWFWEDWTVKORKI-LURJTMIESA-N 182.223 2.045 0 20 AEAD CCCOC(=O)N(C)c1ccccn1 308485124 OMBCZWCPMFRKEK-UHFFFAOYSA-N 194.234 2.064 0 20 AEAD CCC(C)(C)CN[C@@H](C)c1ncc[nH]1 308593209 LDLJAVQGWUBDHC-VIFPVBQESA-N 195.310 2.497 0 20 AEAD CC[C@H]1CCC[C@H](NCC(C)(C)N)C1 308690659 RJXJRSKHEKOHRP-QWRGUYRKSA-N 198.354 2.282 0 20 AEAD CO[C@H](CNCC(C)C)CC(C)C 316429914 ZOSLRARCOXRTQR-NSHDSACASA-N 187.327 2.293 0 20 AEAD CC(C)[C@H](C)N[C@H](CN)C1CCCC1 319043333 UNUIDIUPJHAXQR-CMPLNLGQSA-N 198.354 2.138 0 20 AEAD CC[C@@H](N[C@@H]1CCC[C@H]1O)C1CCC1 324807381 RGZLZPGSDXIIQI-IJLUTSLNSA-N 197.322 2.068 0 20 AEAD Cc1c[nH]cc1C(=O)N(C)C(C)(C)C 335519924 BUWCDIFZGSWNIZ-UHFFFAOYSA-N 194.278 2.194 0 20 AEAD CCN1CCC(OC2CCCC2)CC1 336621155 DGYSTGHTRJYKSA-UHFFFAOYSA-N 197.322 2.430 0 20 AEAD COC[C@H](C)CN[C@@H]1CCC[C@@H]2C[C@@H]21 378925695 SQUFGRANPLHXCO-WISYIIOYSA-N 197.322 2.047 0 20 AEAD CC1(C(=O)OCC2CCC2)CC1 379314940 QQWOOEPZYIAWLV-UHFFFAOYSA-N 168.236 2.130 0 20 AEAD C[C@@H]1C[C@H]1CN(C)[C@H](C)C1CC1 379322832 LROJABSVFWAEPW-KKZNHRDASA-N 167.296 2.373 0 20 AEAD CCCNC(=O)N[C@@H]1C[C@H]1CC(C)C 385676300 MRUZFKXXIXJUDV-NXEZZACHSA-N 198.310 2.130 0 20 AEAD C[C@H](NCCCC(C)(C)C)[C@@H](C)O 386892095 KKWVYAFWWMVJIB-VHSXEESVSA-N 187.327 2.172 0 20 AEAD C[C@@H](NCC[C@H]1CCOC1)C1CCC1 388762279 VJWZLDDHHTVNQF-MNOVXSKESA-N 197.322 2.191 0 20 AEAD CC[C@@H](C[C@@H](C)CO)NC1CCCC1 389199051 CIADPPKGBQBSIG-MNOVXSKESA-N 199.338 2.316 0 20 AEAD CC/C=C\CN[C@H](C)[C@H]1CCCO1 395357070 KRUKQUKKYNGHMS-WQMVXFAESA-N 183.295 2.110 0 20 AEAD CC(C)N(C)C(=O)[C@H]1[C@@H](C)[C@H]1C1CC1 527834478 GVNVLHQIWSHVRX-LSJOCFKGSA-N 195.306 2.145 0 20 AEAD CC(C)CN1C[C@@H](C)C[C@H]1C 607154308 MLBRQCFCDPDNHG-VHSXEESVSA-N 155.285 2.373 0 20 AEAD CN(CCc1cccnc1)C1CCC1 608565519 KGPJSVZJPPIKLS-UHFFFAOYSA-N 190.290 2.108 0 20 AEAD CC1CC(CN[C@@H]2CSC[C@H]2C)C1 621738632 MKYIJKVKOYDBPI-VGRIYTJTSA-N 199.363 2.374 0 20 AEAD CCCN(C)Cc1cnc(C2CC2)o1 628129761 SWWLPZNLYFOKKM-UHFFFAOYSA-N 194.278 2.394 0 20 AEAD CC/C=C\CNC(=O)C1CCCC1 650828234 UTZODYBVVGGRGO-UTCJRWHESA-N 181.279 2.259 0 20 AEAD Cc1coc(-c2nnc(C)s2)c1 665192309 IYTPQOFFWQFYED-UHFFFAOYSA-N 180.232 2.415 0 20 AEAD CNCCCNC[C@H]1CCCC[C@@H]1C 666807171 JCHOALITZBQETA-NWDGAFQWSA-N 198.354 2.012 0 20 AEAD C[C@H]1[C@H](C)[C@@H](C)CN1C(=O)[C@H]1C[C@H]1C 667910901 RSDFOIGKNZHKLT-XXFSISAASA-N 195.306 2.145 0 20 AEAD CC(F)(F)CN[C@H]1CCC[C@@H]2C[C@H]12 668194372 GOOAOOMEWDELDU-VGMNWLOBSA-N 189.249 2.420 0 20 AEAD CCCCn1cc(-n2cccc2)cn1 674715336 VNSYFLZJAXTNJS-UHFFFAOYSA-N 189.262 2.474 0 20 AEAD C[C@@H](NC(=O)C1CC=CC1)C1CCC1 677342122 POUHPIKXHICMJO-SECBINFHSA-N 193.290 2.257 0 20 AEAD CO[C@@H](C)CN1C[C@@H](C)CC(C)(C)C1 680089362 DIFWWDCVAYLFTH-QWRGUYRKSA-N 199.338 2.389 0 20 AEAD CCC(C)(C)CNC(=O)NCC1CC1 683202556 ZKOHBIMERHUJSG-UHFFFAOYSA-N 198.310 2.132 0 20 AEAD C[C@@H]1COC[C@H]1NC1CCCCCC1 710879068 XDJUUBKPAAKPTE-ZYHUDNBSSA-N 197.322 2.334 0 20 AEAD C[C@@H](C(=O)NC[C@H]1C=CCC1)C1CC1 711763842 NQVLYONJPGCOQQ-ZJUUUORDSA-N 193.290 2.115 0 20 AEAD CCCCCN1CCC12CCNCC2 718666439 XNWCCJBKRFQOGQ-UHFFFAOYSA-N 196.338 2.005 0 20 AEAD C[C@@H](COC(=O)C1CC1)C1CCC1 817749533 AMZQABRZPQITNZ-QMMMGPOBSA-N 182.263 2.376 0 20 AEAD CC/C(C)=C/C(=O)N(C)CC1CC1 822614571 XXHWIUIMXFHKKN-VQHVLOKHSA-N 181.279 2.211 0 20 AEAD CC(C)[C@H](C)SC[C@@H](F)C(=O)O 826682315 YIMDOERHUJZPJT-NKWVEPMBSA-N 194.271 2.187 0 20 AEAD CCCCCOC(=O)[C@H]1CCC(=O)C1 830892178 PJVGOVBGZFRBNX-VIFPVBQESA-N 198.262 2.089 0 20 AEAD C[S@](=O)CCSC1CCCC1 842519640 KDDTXXXQANEREH-NSHDSACASA-N 192.349 2.041 0 20 AEAD C=C/C=C/CCOC(=O)[C@@H]1C[C@H]1C 883940103 JNIDZHLLTSDUPL-NUNSBDKSSA-N 180.247 2.318 0 20 AEAD C=C/C=C/CCOC(=O)CCF 893781717 OECLBHGDANSFGB-ONEGZZNKSA-N 172.199 2.022 0 20 AEAD Cc1cc(C)nc(NC/C=C/Cl)n1 897506103 UQZHLXYFMYTNKE-ONEGZZNKSA-N 197.669 2.258 0 20 AEAD CC[C@H](F)C(=O)N[C@@H]1CCC[C@@H]1C 1120690114 HNWBMOKUDBHEGM-XHNCKOQMSA-N 187.258 2.039 0 20 AEAD COC[C@@H](C)c1nc2c(s1)CCC2 1120772779 NMQADEHFQWBOOC-SSDOTTSWSA-N 197.303 2.382 0 20 AEAD CC(C)SCSCCC(=O)O 1603088212 VQJZUKXFYDKNGX-UHFFFAOYSA-N 194.321 2.293 0 20 AEAD COc1nc2cc(Cl)ccc2o1 2010961 SCYNFLAVUZUFTM-UHFFFAOYSA-N 183.594 2.490 0 20 AEAD CCC(CC)C(=O)O[C@H](C)COC 2046289 ZCFCRAMQXALRNH-MRVPVSSYSA-N 188.267 2.001 0 20 AEAD Fc1ccc2c(Cl)n[nH]c2c1F 14985838 QNOUURXTRUTJRZ-UHFFFAOYSA-N 188.564 2.495 0 20 AEAD in-vitro C=C(C(=O)O)c1cccc(C)c1 34382222 RDBACIKBRIXMHN-UHFFFAOYSA-N 162.188 2.093 0 20 AEAD CC(C)=CCCn1ccnc1[N+](=O)[O-] 34494184 PYXUREDGXBRSMF-UHFFFAOYSA-N 195.222 2.148 0 20 AEAD Nc1ccc2cnn(CC3CC3)c2c1 36867319 ORAOYIOMGMVEMN-UHFFFAOYSA-N 187.246 2.029 0 20 AEAD CC[C@@H](C)N[C@H](C)CN1CCCCC1 37153816 NJXHBJKZKUWOTF-VXGBXAGGSA-N 198.354 2.249 0 20 AEAD CCOC(=O)c1cc(C)cc(C)c1N 37475361 DCXHYRRHPROPCC-UHFFFAOYSA-N 193.246 2.062 0 20 AEAD CSc1cc(N)cc(F)c1 38063458 QHAHSHKRPVZMMG-UHFFFAOYSA-N 157.213 2.130 0 20 AEAD CCC(=O)OC[C@H]1CC1(Cl)Cl 39241708 XVBFFRXLKCMRMQ-RXMQYKEDSA-N 197.061 2.133 0 20 AEAD C[C@H](NC1CCC1)c1ccncc1 44480229 CVLZSBAMJWIBQT-VIFPVBQESA-N 176.263 2.285 0 20 AEAD C[C@H](O)CCN(C)c1ccccc1F 50006860 SNHAGZCCPJUJBK-VIFPVBQESA-N 197.253 2.033 0 20 AEAD CCCC[C@H](C)NC1CCC(N)CC1 51694205 NGLJZJGYTDKRGH-UNXYVOJBSA-N 198.354 2.425 0 20 AEAD O=C(O)c1cccc(F)c1NC1CC1 54188423 GVGJJOXOPUCSPJ-UHFFFAOYSA-N 195.193 2.098 0 20 AEAD CC[C@@H](C)[C@@H](C)NC(=O)c1ccco1 70228234 SZSNJELUKUZGGO-RKDXNWHRSA-N 195.262 2.444 0 20 AEAD Cc1cc(O)ccc1NC(=O)C1CC1 70735511 LJIRRGZGWPIFGY-UHFFFAOYSA-N 191.230 2.049 0 20 AEAD CC[C@H]1CCCC[C@H]1n1cnc(N)n1 82657749 VAQCITIQRQHMGV-DTWKUNHWSA-N 194.282 2.002 0 20 AEAD COCC[C@@H](C)N[C@H]1CC=CCC1 84066456 CKIXRMWRCOGSFF-MNOVXSKESA-N 183.295 2.110 0 20 AEAD COCCNC[C@H]1CCCC(C)(C)C1 84328047 DYXPHAXBCJCCEG-NSHDSACASA-N 199.338 2.439 0 20 AEAD COc1cccc(C(C)=O)c1C 84427697 SLHQAWYLGDYXFE-UHFFFAOYSA-N 164.204 2.206 0 20 AEAD in-vitro COC(=O)/C=C/c1ccc(C)s1 84824889 AGHMAGMLPVKZMA-AATRIKPKSA-N 182.244 2.243 0 20 AEAD Cc1ccncc1[C@@H]1CCC[C@H]1O 85442144 STWHNGHOKLBOMJ-GXSJLCMTSA-N 177.247 2.018 0 20 AEAD C[C@@H]1CCC[C@H]1NCc1ccn(C)c1 85604303 KJJLUDBWCFSDBL-ZYHUDNBSSA-N 192.306 2.303 0 20 AEAD CC(C)(CN)C1(O)CCCCCC1 85898802 DCNLVQDNGOKBRI-UHFFFAOYSA-N 185.311 2.057 0 20 AEAD CCC1(CC)CCN([C@H](C)[C@@H](C)O)C1 87257483 DGKBDFPHCZCZIP-GHMZBOCLSA-N 199.338 2.268 0 20 AEAD CC(C)[C@@H](O)CN1[C@@H](C)CCC[C@H]1C 87537802 RHJGSUOJCOHHCS-TUAOUCFPSA-N 199.338 2.266 0 20 AEAD CC[C@@H](NCc1ccon1)C(C)C 88052582 KQMIZAJYOVPBSU-SNVBAGLBSA-N 182.267 2.199 0 20 AEAD C[C@H](C1CCNCC1)C(F)(F)F 107413006 GJQYQFNHMZRAGM-ZCFIWIBFSA-N 181.201 2.184 0 20 AEAD CCN(C)Cc1ccc(F)cc1 113248512 DIABMCLVHYTCGC-UHFFFAOYSA-N 167.227 2.277 0 20 AEAD C[C@@H](CCO)N[C@@H]1CCCCC1(C)C 122940138 ZVVWYTUJBITDMG-WDEREUQCSA-N 199.338 2.316 0 20 AEAD COCC(C)(C)NCCCC(C)C 125366465 VNRORKCZMRRDPU-UHFFFAOYSA-N 187.327 2.437 0 20 AEAD 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OYPILRFHCKGVHR-ZETCQYMHSA-N 170.281 2.031 0 20 AEAD Oc1ccccc1-c1ccc[nH]1 34133943 GKSPIKYEYHFEIS-UHFFFAOYSA-N 159.188 2.387 0 20 AEAD CC(C)CCNC(=O)CC(F)(F)F 34427853 ZXHULHKALILZII-UHFFFAOYSA-N 197.200 2.101 0 20 AEAD CCCCC[C@@H](C)NCc1cc[nH]n1 36900376 JLSMNHATOBQSIL-SNVBAGLBSA-N 195.310 2.468 0 20 AEAD CC(C)(C)CNC(=O)c1ccccc1 38338865 LOUHMPDGWQWGJW-UHFFFAOYSA-N 191.274 2.463 0 20 AEAD CCC(CC)C(=O)N[C@@](C)(C#N)CC 40357571 BFSJKULNODIIQZ-LLVKDONJSA-N 196.294 2.231 0 20 AEAD CCC1CCC(OC)(C(=O)O)CC1 41922953 FSYMAYCQNZNWCX-UHFFFAOYSA-N 186.251 2.056 0 20 AEAD CC1(C)C[C@H]1NC1CCCC1 44371449 HLBNBBDGSHEZHU-SECBINFHSA-N 153.269 2.317 0 20 AEAD CC[C@@H](C)N[C@H](C)c1cnn(CC)c1 44494255 ZVWHTTMSAGYCMK-NXEZZACHSA-N 195.310 2.352 0 20 AEAD CC[C@@H](C)CN(C)CCC[C@@H](C)O 45619637 MIGPOGRYLPUTRT-GHMZBOCLSA-N 187.327 2.125 0 20 AEAD CC(C)(C)CCN1CCCC[C@@H]1CO 49750917 WHKKGUATLSMJRX-LLVKDONJSA-N 199.338 2.269 0 20 AEAD Oc1cccc(CNC2CCC2)c1 52207339 OMAGUNGITIABOC-UHFFFAOYSA-N 177.247 2.034 0 20 AEAD CCC(=O)N1CCc2cc(F)ccc21 74789816 YIYJPHXFRCVWMI-UHFFFAOYSA-N 193.221 2.125 0 20 AEAD C[C@@H](N)c1c[nH]c2cccc(F)c12 82870363 NXBOTTDQVPNJLA-ZCFIWIBFSA-N 178.210 2.327 0 20 AEAD CCCC[C@@H](C)NC[C@](C)(O)CC 83462548 LSQDMJNXPCJPHH-GHMZBOCLSA-N 187.327 2.316 0 20 AEAD CC(C)NCC1Cc2ccccc2C1 84326470 JDCSVUMSDKWUSE-UHFFFAOYSA-N 189.302 2.399 0 20 AEAD CCC[C@H](C)NCc1cc[nH]c1 85578657 DCPCBITXWDJPMZ-VIFPVBQESA-N 166.268 2.293 0 20 AEAD CCC(CC)N[C@@H]1CCC[C@H](N)C1 86401640 URDOKVLUIZNBNG-GXSJLCMTSA-N 184.327 2.035 0 20 AEAD CC(=O)CN(C)C1CCC(C)(C)CC1 87287532 YBQLZXXPWWMOEI-UHFFFAOYSA-N 197.322 2.476 0 20 AEAD c1cc(CNCC2CCCCC2)no1 88052903 PPNKTNYBFLASJS-UHFFFAOYSA-N 194.278 2.345 0 20 AEAD CCc1cc(OC)c(OC)cc1F 98180133 XKBNBUCXNLQZGY-UHFFFAOYSA-N 184.210 2.405 0 20 AEAD CC1CC(NCc2cccc(O)c2)C1 128886283 CTPWYGPBFYNTSR-UHFFFAOYSA-N 191.274 2.280 0 20 AEAD CCCCCN[C@@H](C)[C@@H]1CCOC1 132028428 JAFSBIPHQRPCLR-WDEREUQCSA-N 185.311 2.191 0 20 AEAD CCN(C)[C@H](C)c1ccccn1 146589185 SQCUCLWIJANYEY-SECBINFHSA-N 164.252 2.094 0 20 AEAD C[C@@H](N[C@H]1CCSC1)C1CCC1 161772893 LKBRWYVLUCNGBQ-SCZZXKLOSA-N 185.336 2.270 0 20 AEAD CC[C@@H](CO)NC[C@@H]1CCC[C@@H](C)C1 163981742 UILMYXLEQRNWGL-UTUOFQBUSA-N 199.338 2.173 0 20 AEAD CC(C)OCCN[C@@H](C)C1CCC1 164643755 GASDCWCJAQGOTE-JTQLQIEISA-N 185.311 2.190 0 20 AEAD CCC(=O)N1C2CCCC1CCC2 205504357 WOKOZYMOQQMTBR-UHFFFAOYSA-N 181.279 2.330 0 20 AEAD CC(C)[C@H](C)NC[C@H](C)C[C@H](C)O 224010275 GDIAJENSNKAJIE-VWYCJHECSA-N 187.327 2.028 0 20 AEAD CC(C)(C)C(=O)NCC1(C2CC2)CC1 228743186 WKVIYESMOVSKLU-UHFFFAOYSA-N 195.306 2.339 0 20 AEAD CC(C)=CCNc1ccc(C)nn1 229222760 RSDWKZMYNCWEGB-UHFFFAOYSA-N 177.251 2.163 0 20 AEAD CC(C)C(=O)NC[C@H]1CCC[C@H]1C 230716607 SFKLYGCMXQIVAY-NXEZZACHSA-N 183.295 2.195 0 20 AEAD CC1(C)CCC[C@@H]1NCc1ccno1 230973121 FQTZZZMEBSQXFL-JTQLQIEISA-N 194.278 2.343 0 20 AEAD CC(C)(C)CCNC[C@H]1CC[C@@H](O)C1 232493075 XCKLBJDSDQKIJQ-WDEREUQCSA-N 199.338 2.173 0 20 AEAD CC[C@H]1CCCN1C[C@H](CN)C(C)C 251925807 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KJQFTXKGUYXFRR-UHFFFAOYSA-N 181.279 2.188 0 20 AEAD C[C@@H](C(=O)OCCF)C(C)(C)C 307949965 NDEPASHEVWHJPE-ZETCQYMHSA-N 176.231 2.181 0 20 AEAD CCCC[C@H](C)N(C)C[C@H](O)CC 308200124 PHQHKOGYDJVWEX-WDEREUQCSA-N 187.327 2.268 0 20 AEAD CC[C@@H](C)CN(C)C[C@@H]1CCCO1 308299288 LATWZKYABXPVFO-MNOVXSKESA-N 185.311 2.143 0 20 AEAD C/C=C/C=C\C(=O)N(CC)CCC 308417050 NKJPBRVRJPHHIO-KNOZVELGSA-N 181.279 2.377 0 20 AEAD CCN(CC1=CCCOC1)C(C)C 308434712 VLITWECFUUFEGX-UHFFFAOYSA-N 183.295 2.063 0 20 AEAD CO[C@@H](C)CN[C@@H](C)CCC1CC1 308437007 XDMCBIFSEWLQAL-UWVGGRQHSA-N 185.311 2.190 0 20 AEAD CC(C)NCCCN[C@@H]1CCC1(C)C 308560595 XCGGZTWGUICIBC-LLVKDONJSA-N 198.354 2.153 0 20 AEAD CC[C@@H](C)CN1CC[C@]2(CCOC2)C1 334142412 AEEAJSPUJQXRCB-NEPJUHHUSA-N 197.322 2.145 0 20 AEAD C[C@H]1CC[C@@H](N(C)Cc2cnc[nH]2)C1 335765979 YKHQRHIVNOCGRS-GXSJLCMTSA-N 193.294 2.030 0 20 AEAD COC(=O)CS[C@H]1CC[C@@H](C)C1 378783935 ITIMWWMEDNWESX-SFYZADRCSA-N 188.292 2.081 0 20 AEAD CC(C)CC[C@@H](C)N[C@@H](CO)C1CC1 379593192 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2.125 0 20 AEAD CCCCCCN[C@@H](C)[C@H]1CCCN1 400549007 WUXAJMFPOFFVQX-NWDGAFQWSA-N 198.354 2.297 0 20 AEAD CC[C@@]1(NCC2=CCCC2)CCOC1 401018115 CLTFXLDABZMMBS-GFCCVEGCSA-N 195.306 2.255 0 20 AEAD CC[C@H](C)[C@H](C)N[C@@H]1CO[C@H](C)C1 401955387 YROZCIPYUTYLIE-VLEAKVRGSA-N 185.311 2.188 0 20 AEAD CCSCCN1CCC[C@@H](F)C1 593697219 RICIOZHNHXRACN-SECBINFHSA-N 191.315 2.173 0 20 AEAD CCOCCCN(C)[C@H](C)CC 607729080 YHKPYCFPOLBPFV-SNVBAGLBSA-N 173.300 2.143 0 20 AEAD COC1([C@H](C)NCC2CC2)CCCC1 643344554 WETVHGIEPOGVHG-JTQLQIEISA-N 197.322 2.334 0 20 AEAD CC[C@@H](C)N(C)C[C@H](OC)C1CC1 644926874 BJXAAHDCYDTOQY-KOLCDFICSA-N 185.311 2.142 0 20 AEAD CC[C@H](CN[C@@H]1CC=C(C)CC1)OC 646205504 CCVFCFCUKXNLDY-VXGBXAGGSA-N 197.322 2.500 0 20 AEAD CC(C)C[C@]1(C)CCCN1CCCO 649827985 XZJWONHPZBHYEA-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD CCC(=O)NC[C@@H]1CCC[C@H]1CC 650719936 RHRNKZBFTOMKQT-ZJUUUORDSA-N 183.295 2.339 0 20 AEAD CCC(C)(C)[C@@H](C)NC[C@@H](C)OC 651334432 FVIXMDBSIIPTAG-NXEZZACHSA-N 187.327 2.436 0 20 AEAD CCOC[C@H](C)NC1CC2(CCC2)C1 656498101 JYNRHRBAROXJRD-JTQLQIEISA-N 197.322 2.334 0 20 AEAD CNC[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C 663513465 KHRQKGXYFIDEIV-FIQHERPVSA-N 198.354 2.009 0 20 AEAD Cc1cncc(NCCC(C)(C)F)n1 664370998 GZBFSXSVOFQPRT-UHFFFAOYSA-N 197.257 2.335 0 20 AEAD CCc1nc(CC)n(CC=C(C)C)n1 673546016 QVMSPUVHCYEDPO-UHFFFAOYSA-N 193.294 2.369 0 20 AEAD CCN1C[C@H](C)Oc2c(F)cccc21 681474218 KPAYOUMQSSADNP-QMMMGPOBSA-N 195.237 2.433 0 20 AEAD CC[C@@H](C)CC(=O)Nc1cc(C)on1 682851727 RWTBBQHMWYIAQG-SSDOTTSWSA-N 196.250 2.358 0 20 AEAD CC(C)C[C@@H](C)CNC[C@H]1C[C@H](O)C1 720947486 PCCNABXHPCBYRR-IJLUTSLNSA-N 199.338 2.029 0 20 AEAD O=C(OCCC1CC1)c1ccccn1 744476069 XCNXIQRAICDFKN-UHFFFAOYSA-N 191.230 2.039 0 20 AEAD C/C=C(\C)C(=O)N1C[C@H](C)C[C@@H](C)C1 751189194 SABSJCUGEPXXAP-PULSAQFYSA-N 195.306 2.457 0 20 AEAD CCC[C@H](C)C(=O)N(CC)OCC 831476687 OPBPTUVPYAKPKG-VIFPVBQESA-N 187.283 2.223 0 20 AEAD C[C@H](N[C@H]1C=CCC1)[C@H]1CCCOC1 850510316 SOXGPJQKPQNTSN-SRVKXCTJSA-N 195.306 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189.249 2.374 0 20 AEAD CC1(N[C@H]2CCC23CCC3)CC1 306260949 KTGQZBRQOGKHIZ-VIFPVBQESA-N 165.280 2.461 0 20 AEAD Cc1nc(Cc2cccs2)no1 306294072 XOJOFTJDDBJVHC-UHFFFAOYSA-N 180.232 2.030 0 20 AEAD CC[C@@H](C)SCCN(C)C 306426121 JZGONHDWXOXMLI-MRVPVSSYSA-N 161.314 2.080 0 20 AEAD C/C=C(/C)c1nc(C2CC2)no1 306441300 OJXSXYHRALRNIY-UTCJRWHESA-N 164.208 2.370 0 20 AEAD Fc1ccc(NCc2ccon2)cc1 306491573 NUPSHLJRWSSXNA-UHFFFAOYSA-N 192.193 2.426 0 20 AEAD CC(C)CN[C@H]1CC[C@H](F)C1 306615848 OEOAFWVAWQXJER-IUCAKERBSA-N 159.248 2.123 0 20 AEAD CC1(CN2C[C@H]3[C@@H](C2)C3(C)C)CC1 306695183 VQFQJGWPFBKXKY-AOOOYVTPSA-N 179.307 2.374 0 20 AEAD CCN(C)C(=O)N[C@@]1(C)CC=CCC1 306699063 HSEAPIKLZQFOQK-NSHDSACASA-N 196.294 2.147 0 20 AEAD CC(C)[C@@H]1CCCN(CCF)C1 307091958 YMASVMGHICRVCH-SNVBAGLBSA-N 173.275 2.324 0 20 AEAD Cc1conc1NCc1occc1C 307235677 NDJOWDRLQNEZQJ-UHFFFAOYSA-N 192.218 2.497 0 20 AEAD C[C@H](N[C@@H]1CCC1(C)C)[C@@H]1CCOC1 307578047 NBEWNDUVAZPZPP-HBNTYKKESA-N 197.322 2.190 0 20 AEAD 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184.264 2.413 0 20 AEAD CCCCCCN(CCO)C1CC1 50103997 WUKJAVPMUTTWBY-UHFFFAOYSA-N 185.311 2.023 0 20 AEAD CCCN1CCCC[C@@H]1CCC(=O)O 50924616 QDXJZVQUYGHDGO-SNVBAGLBSA-N 199.294 2.116 0 20 AEAD CC(C)[C@H](C)NCCOCC1CC1 53585317 PKKJOUIKICULRY-JTQLQIEISA-N 185.311 2.047 0 20 AEAD CC(C)[C@H]1C[C@@H](NC2CCC2)CCO1 69890885 JFVFMHZGPUWBAG-NWDGAFQWSA-N 197.322 2.332 0 20 AEAD CCCC(=O)N[C@H](C)[C@@H](C)CC 70228231 BTYMPRDTPGLIKD-DTWKUNHWSA-N 171.284 2.337 0 20 AEAD Cc1c(O)ccc([C@@H](C)N)c1C 71456763 OBGIFRRNJHYCQJ-MRVPVSSYSA-N 165.236 2.029 0 20 AEAD CCOC[C@H](C)N[C@@H]1CCC[C@@H]1C 83390978 AJHLVDLQEZJUAO-GARJFASQSA-N 185.311 2.190 0 20 AEAD CC1CCC(CNC[C@H](C)CO)CC1 84339490 OUYXXUHYMJOSBG-CXQJBGSLSA-N 199.338 2.031 0 20 AEAD Cc1nc(C2CCCCC2)no1 116411800 AHCNOUGJLCZVJD-UHFFFAOYSA-N 166.224 2.426 0 20 AEAD COC[C@H](N[C@H]1CC[C@H](C)C1)C1CC1 122209755 FDFDKRHIGVKRDT-DLOVCJGASA-N 197.322 2.190 0 20 AEAD CC[C@H](C)CN(CC)C(=O)N(C)C 129115586 NHRXJGLYHKFQLP-VIFPVBQESA-N 186.299 2.036 0 20 AEAD CCCCCN[C@H]1CCN(C)[C@H](C)C1 129571316 WKALEUGEFWFLLA-NEPJUHHUSA-N 198.354 2.249 0 20 AEAD C[C@H]1CCCC[C@@H]1NC(=O)NC1CC1 135847546 BQUWRUMYKLHMNQ-WPRPVWTQSA-N 196.294 2.027 0 20 AEAD CC1=CC[C@H](C(C)(C)N)CC1 138802605 LAVSBOJEEKTASF-VIFPVBQESA-N 153.269 2.470 0 20 AEAD CC[C@H](O)CCN[C@H](C)C1CCCC1 157395511 RZQZOYQUEITZRI-PWSUYJOCSA-N 199.338 2.316 0 20 AEAD CC[C@@H]1CCC[C@H]1NCC(C)(C)CO 161909239 PZDOTMLQPNTRQI-GHMZBOCLSA-N 199.338 2.173 0 20 AEAD CC(C)CCCSCC(=O)O 166835522 FTFHUPTXMHCNMK-UHFFFAOYSA-N 176.281 2.240 0 20 AEAD CCCNC(=O)c1c(C)coc1C 170232216 UQRCLWYRBCCXJW-UHFFFAOYSA-N 181.235 2.036 0 20 AEAD CCC[C@H](C)N[C@@H]1CCCC[C@H]1N 205770940 SABYDEHSJUXNBC-HBNTYKKESA-N 184.327 2.035 0 20 AEAD CCCCN1CCC[C@@]1(CC)C(=O)O 215186944 WREVQSBOFMIJHA-NSHDSACASA-N 199.294 2.116 0 20 AEAD C[C@H](N[C@@H]1CCSC1)c1ccoc1 222141462 QIUALOLIEBPGRF-WCBMZHEXSA-N 197.303 2.436 0 20 AEAD CC[C@@H](C)CC(=O)N1CCC[C@H]1C 225627089 WSYZVXIYCMUNPS-NXEZZACHSA-N 183.295 2.434 0 20 AEAD CC(C)CCCN1CC[C@H](C)[C@@H]1CO 227181526 HBYYKBYFRQICKO-RYUDHWBXSA-N 199.338 2.125 0 20 AEAD CO[C@@H](C)CNC1[C@@H](C)CCC[C@@H]1C 230614736 WRIVRRVFYKLMIT-DCAQKATOSA-N 199.338 2.436 0 20 AEAD CC1CC(Nc2cccc(CO)c2)C1 232854154 IIRKDLUQASUMCE-UHFFFAOYSA-N 191.274 2.389 0 20 AEAD O=C(Nc1ccccc1)OC1CC1 238617811 MLMNZTQEAIOUII-UHFFFAOYSA-N 177.203 2.398 0 20 AEAD COC(C)(C)[C@H](C)N[C@H]1CC=CCC1 301034611 WLBGKUDFKGYTFB-QWRGUYRKSA-N 197.322 2.498 0 20 AEAD c1cc(OCc2nccs2)ccn1 306154896 BOLIWAHWYGFSLU-UHFFFAOYSA-N 192.243 2.117 0 20 AEAD Cc1nnc(N[C@@H]2CCC2(C)C)s1 306454470 LHMNFXADWMXRJE-SSDOTTSWSA-N 197.307 2.447 0 20 AEAD C/C=C(\CC)C(=O)NC1(C)CCC1 307010316 ISUAZXGOZVQPGY-RUDMXATFSA-N 181.279 2.402 0 20 AEAD C[C@H]1C[C@H]1CN1CCC[C@@H](C)C1 307533240 AUBYCBGPTLUGSL-VWYCJHECSA-N 167.296 2.374 0 20 AEAD C[C@@H]1CCC[C@]2(CC[C@H](CO)O2)C1 307542776 ZXFLJLNHGTTYKA-MXWKQRLJSA-N 184.279 2.107 0 20 AEAD CC(C)c1nc([C@H]2C[C@H]2C)no1 307698635 NEHMNGDEIAEQAB-RQJHMYQMSA-N 166.224 2.316 0 20 AEAD CCN(C)c1c(F)cccc1F 307754658 ZZIKUHMEPOFRJB-UHFFFAOYSA-N 171.190 2.421 0 20 AEAD CC(C)C[C@@H]1CCN(C(=O)C2CC2)C1 307808458 MFACRJAMWGXUFD-JTQLQIEISA-N 195.306 2.291 0 20 AEAD CCC[C@@H](C)NC(=O)/C=C/SC 307968258 DSKIWMLVYZSDJI-HYDMIIDASA-N 187.308 2.168 0 20 AEAD CCC1(C(=O)OC/C=C/Cl)CC1 308015310 PKUVKCQGVCPCJG-ZZXKWVIFSA-N 188.654 2.472 0 20 AEAD CCCCC(=O)NCC=C(C)C 308046875 PVCPILGAKCWVCO-UHFFFAOYSA-N 169.268 2.259 0 20 AEAD C[C@@H](N[C@H](C)C(F)(F)F)C1CC1 308047183 PXXLZTYPYXIAEF-PHDIDXHHSA-N 181.201 2.325 0 20 AEAD CC[C@H](C)N[C@@H]1C[C@@H](OC)C12CCC2 308365028 KIPMOYCOEMWAQO-HBNTYKKESA-N 197.322 2.332 0 20 AEAD CC[C@H](C)N(C)CCN[C@@H]1CC[C@H]1C 308543986 OYNFGMOEGHVCFT-GRYCIOLGSA-N 198.354 2.105 0 20 AEAD C[C@H](CN)CN[C@H](C)C1CCCCC1 308563600 GOIDCZFQRRDIRE-GHMZBOCLSA-N 198.354 2.140 0 20 AEAD CC1CCC(CC(=O)N2CCC2)CC1 334407409 IJFROACKWBAINM-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD C[C@H]1CCC[C@H](CC(=O)NC2CC2)C1 334515789 DWUMMVXJULQMSS-UWVGGRQHSA-N 195.306 2.481 0 20 AEAD 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CC(C)S[C@@H]1CCO[C@@H]1C 306316088 QTIJCZHZWRBBGH-HTQZYQBOSA-N 160.282 2.305 0 20 AEAD Cc1cnccc1N1CCC[C@@H]1C 306559200 PMRXKQIJMQKYCX-JTQLQIEISA-N 176.263 2.379 0 20 AEAD C[C@@H]1OCC[C@@H]1NCC1=CCCCC1 306844936 HWQIOZAIRBKMDR-JQWIXIFHSA-N 195.306 2.254 0 20 AEAD O=C(C=C1CCC1)Nc1nccs1 307009304 HVTJPMSGYJSCQV-UHFFFAOYSA-N 194.259 2.192 0 20 AEAD CC1CC(N[C@@H](C)[C@H]2CCCOC2)C1 307073127 JDLZYWWVQSGFPT-YECOWLKZSA-N 197.322 2.190 0 20 AEAD C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 307433776 QNOJCUDDBMUFES-OOCWMUITSA-N 195.306 2.085 0 20 AEAD CC1CC(N[C@@H]2CSC2(C)C)C1 307562320 ZPXBFLIJRAOAGK-AMDVSUOASA-N 185.336 2.269 0 20 AEAD CC[C@@H](C)CCC(=O)N(C)C1CC1 308321838 ZDJGERKHYLMILE-SECBINFHSA-N 183.295 2.434 0 20 AEAD CCCOC(=O)Cc1ccc(C)o1 308378272 TZAMMZZYRVEXGC-UHFFFAOYSA-N 182.219 2.084 0 20 AEAD CC[C@@H]1CC[C@H]1NCCCCOC 308397135 DXPYCLHLWFYOSD-GHMZBOCLSA-N 185.311 2.191 0 20 AEAD CCC[C@@H](CC)NC[C@@](C)(O)C1CC1 308569217 JJGACYNVRMNFLX-VXGBXAGGSA-N 199.338 2.316 0 20 AEAD C[C@H](CCCCO)N[C@H](C)CC1CC1 308638019 DABGDVIVCBWWLF-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CC[C@H](N[C@H](C)CCCCN)C1CC1 323743096 QOFVFHUHVREGLJ-PWSUYJOCSA-N 198.354 2.282 0 20 AEAD CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 334375050 DIHWGYQDAAEJNT-NXEZZACHSA-N 195.306 2.147 0 20 AEAD CC(C)CNC(=O)N[C@H]1CC=CCC1 334408716 JGKHMNYTBQOGLX-JTQLQIEISA-N 196.294 2.050 0 20 AEAD CCCc1nc(-c2ccsn2)no1 334523580 CZZZKMPDHPQXCH-UHFFFAOYSA-N 195.247 2.146 0 20 AEAD C[C@]1(C(=O)NC2CC2)CC=CCC1 334671253 WONWCPUBOVAYOF-NSHDSACASA-N 179.263 2.011 0 20 AEAD CC[C@@H](C)N1CCOC2(CCCC2)C1 334886210 UGSKKFAQTWJGRQ-LLVKDONJSA-N 197.322 2.430 0 20 AEAD CCc1cnccc1-c1noc(C)n1 335003508 BPARXIZHRGDTLF-UHFFFAOYSA-N 189.218 2.002 0 20 AEAD CC[C@@H]1OCC[C@H]1NC1CC(C)(C)C1 335146220 GZQDPJVLDUJINA-MNOVXSKESA-N 197.322 2.332 0 20 AEAD COC[C@H](C)N1CCCC(C)(C)C1 335604183 USIDRMACUBABSP-JTQLQIEISA-N 185.311 2.143 0 20 AEAD C[C@H]1CCN(Cc2ccn(C)c2)[C@@H]1C 335659134 NCBOEQLYLWVMSU-WDEREUQCSA-N 192.306 2.255 0 20 AEAD 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C/C=C/C(=O)N(C)CC1CCCC1 82265233 ZHTJAYKITILXIE-ZZXKWVIFSA-N 181.279 2.211 0 20 AEAD C[C@H]1CC(N[C@@H]2CCOC2)C[C@H](C)C1 82834921 MHPOSQPVVUWSDZ-GMTAPVOTSA-N 197.322 2.190 0 20 AEAD OCc1ccc(OCC2CCC2)cc1 83839467 ZXOQUPGAKRLACX-UHFFFAOYSA-N 192.258 2.358 0 20 AEAD CC(C)CSC[C@@H](C)CO 85139252 JODXMFUMUNLZAT-QMMMGPOBSA-N 162.298 2.004 0 20 AEAD FCCNCc1ccc(F)c(F)c1 87774977 RJKMUIIQWFZLAD-UHFFFAOYSA-N 189.180 2.024 0 20 AEAD C[C@@H](CNCc1cccn1C)C1CC1 125242738 UOHYUVPOHOKYJP-JTQLQIEISA-N 192.306 2.161 0 20 AEAD CCCNC(=O)N1CCC[C@@H](C)[C@@H]1C 127553247 VHECZUOOBSQTKN-ZJUUUORDSA-N 198.310 2.226 0 20 AEAD CC[C@@H]1CCC[C@@H]1NCc1cn[nH]c1 130516125 ZRNIHWKXCFKLBH-MNOVXSKESA-N 193.294 2.078 0 20 AEAD CO[C@H](C)[C@@H](C)NCC1(C2CC2)CC1 131314928 CXMGVIZATDBDGO-NXEZZACHSA-N 197.322 2.190 0 20 AEAD CO[C@@H](C)COc1ccccc1F 164012954 GCNLYFOAWIQIRB-QMMMGPOBSA-N 184.210 2.239 0 20 AEAD Cc1nccnc1NCCC(C)C 214344155 FLMAZUQQNCJGQF-UHFFFAOYSA-N 179.267 2.243 0 20 AEAD Cc1ccccc1[C@H]1C[C@H](F)CN1 219535220 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MUGXPWXCPGKUDE-UWVGGRQHSA-N 195.306 2.434 0 20 AEAD CNC(=O)N1CCC[C@@H](CC(C)C)C1 336044598 CFVNNQLLGOAYPN-JTQLQIEISA-N 198.310 2.084 0 20 AEAD C[C@H]1[C@H](C)CN1CC1CC(F)(F)C1 336265913 GWLWFJMHDCPZBY-SFYZADRCSA-N 189.249 2.372 0 20 AEAD CCC1(NC(=O)c2coc(C)c2)CC1 336306607 HOGBMXMRAXMKJN-UHFFFAOYSA-N 193.246 2.260 0 20 AEAD CC(C)(NC(=O)C1=CCCC1)C1CC1 336365989 IQMFFXQVUGBXGG-UHFFFAOYSA-N 193.290 2.402 0 20 AEAD CCC(CC)CN(C)[C@@H](CC)CO 379172004 PFKIHFPYYBKQOR-NSHDSACASA-N 187.327 2.125 0 20 AEAD COCCCNCc1ccsc1C 379348865 MKVCHVLWHDZPBT-UHFFFAOYSA-N 199.319 2.183 0 20 AEAD C[C@H](N[C@H](C)c1cn[nH]c1)C1CCC1 379511541 SGOOXRJWZWFNAY-DTWKUNHWSA-N 193.294 2.249 0 20 AEAD CCN(C)C1CC(OC(C)(C)C)C1 388615240 CRNQPIJQZKNXEE-UHFFFAOYSA-N 185.311 2.284 0 20 AEAD CCC[C@@H](C)NCc1c(C)cnn1C 389236439 WHYASGADVVMFBG-SNVBAGLBSA-N 195.310 2.007 0 20 AEAD CCC(CC)CNC[C@@H](OC)C1CC1 393426505 MTJDMLAPVFVLOI-GFCCVEGCSA-N 199.338 2.437 0 20 AEAD CC(C)CCC(=O)N[C@@H](C)C1CC1 393718018 PYQFYJVBSNWXII-VIFPVBQESA-N 183.295 2.337 0 20 AEAD CC[C@@H](C)C[C@H](CO)NC1CCCC1 394395840 BQZMLLWQPOYQDU-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD Cc1cc(C)c(CNCC2CC2)cn1 397042967 SKWSBIXZOHUZLA-UHFFFAOYSA-N 190.290 2.198 0 20 AEAD O=C(CC(C1CC1)C1CC1)NC1CC1 400873380 SIJXBIJFKKOENY-UHFFFAOYSA-N 193.290 2.091 0 20 AEAD CCOC[C@H](C)NCC1=CCCC1 401086962 RRQAPZAMSRZIAA-JTQLQIEISA-N 183.295 2.111 0 20 AEAD C[C@H](CCC1CC1)N[C@@H]1CO[C@H](C)C1 401963284 ZMPKGSSIATUGNS-FOGDFJRCSA-N 197.322 2.332 0 20 AEAD CCC(CC)c1cc(O)nc(C)n1 409432594 WJIRJXJJFGMOKC-UHFFFAOYSA-N 180.251 2.394 0 20 AEAD CC[S@](=N)(=O)c1ccccc1OC 521399388 LGTNKCFVHAAIBD-ZDUSSCGKSA-N 199.275 2.121 0 20 AEAD Fc1cccc(Nc2cn[nH]c2)c1F 536950072 KBKGJEQHJZCFNC-UHFFFAOYSA-N 195.172 2.432 0 20 AEAD CCC[C@@H](C)SC[C@H](C)O 591131789 NSWUILJIMBEXRY-JGVFFNPUSA-N 162.298 2.289 0 20 AEAD CC[C@H]1C[C@@H](C)CN1C(=O)C1CCC1 608611823 PYIGKTHAFXPQFQ-KOLCDFICSA-N 195.306 2.434 0 20 AEAD CCC[C@H](CC)NC(=O)N1CC[C@H]1C 621015316 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XRRQTSDZULNRGM-VHSXEESVSA-N 179.267 2.104 0 20 AEAD OC/C=C\CNCC1CCCCCC1 657592418 IXAZGERGDXQARJ-WAYWQWQTSA-N 197.322 2.095 0 20 AEAD CC[C@@H]1COCCN1CCC1CCC1 659933866 JTFJMUVVXABNGF-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD CC[C@@H]1COCCN1CCC=C(C)C 659933911 KJXCVFBQNGRNSD-GFCCVEGCSA-N 197.322 2.454 0 20 AEAD C[C@H]1C[C@@H](NCCC(C)(C)C)CCN1 666874213 DZUIHWWHXJVWLV-QWRGUYRKSA-N 198.354 2.153 0 20 AEAD CC[C@H](C)NC(=O)N[C@H](C)C1CCC1 677297201 DQVWWSQLYMMUDE-DTWKUNHWSA-N 198.310 2.273 0 20 AEAD CCc1cc(N[C@@H]2C=CCC2)ncn1 698189990 JAQSZIVRCYENAL-SNVBAGLBSA-N 189.262 2.170 0 20 AEAD CCC1(C)CCN(C(=O)O)CC1 736929451 LMBNDVDOJOWTCJ-UHFFFAOYSA-N 171.240 2.177 0 20 AEAD CC(C)C[C@H](C)OC(=O)C1=COCC1 744064285 SGDUGJCRNGAXBW-VIFPVBQESA-N 198.262 2.268 0 20 AEAD C[C@@H](C[C@H]1CCOC1)N[C@H](C)C1CC1 824683300 DDZRAYLYUNREMN-HBNTYKKESA-N 197.322 2.190 0 20 AEAD CCCC[C@H](C)C(=O)N1CC2(CC2)C1 833317297 UIXYYAIGGCJZPB-JTQLQIEISA-N 195.306 2.435 0 20 AEAD CC(=O)CCCCCOC(=O)C1CC1 837341660 LQMQWYJLLARECO-UHFFFAOYSA-N 198.262 2.089 0 20 AEAD CCC(CC)c1noc(C(C)(C)O)n1 842491195 HGYYTFYMNMNALZ-UHFFFAOYSA-N 198.266 2.201 0 20 AEAD C=C=CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C 848114327 HPCATTGPHIYXKH-JQWIXIFHSA-N 193.290 2.126 0 20 AEAD Cc1cocc1C(=O)OCCCF 859779477 FRNYSQQDMDHKPG-UHFFFAOYSA-N 186.182 2.104 0 20 AEAD CCCCCN1CC[C@H](CF)C1 880292966 BNAQPGFZPPGRCO-SNVBAGLBSA-N 173.275 2.468 0 20 AEAD FCCNC/C=C\c1cccc(F)c1 894649779 PIRJPKZUSJKGQI-RQOWECAXSA-N 197.228 2.398 0 20 AEAD CC[C@H](NC[C@H]1CC(C)=NO1)C(C)C 895306206 AWZFWRZQGRTOPU-MNOVXSKESA-N 198.310 2.175 0 20 AEAD CC(C)=C1CC[C@@H](C)C[C@@H]1NCCO 924571854 WFPSKSWNLXPVGY-PWSUYJOCSA-N 197.322 2.093 0 20 AEAD C[C@@H]1CCCN(CCOC2CC2)CC1 929363314 FEHKVQXSKDJWOB-LLVKDONJSA-N 197.322 2.287 0 20 AEAD C/C=C(/C)C(=O)N1C[C@H]2CCCC[C@H]21 1121147730 ZFPHFCOOKDMHDK-GIGCTMKZSA-N 193.290 2.354 0 20 AEAD CC(C)ONC(=O)[C@@H]1CC12CCCC2 1324792359 VNDKVYYVOVKXLW-VIFPVBQESA-N 197.278 2.023 0 20 AEAD CC[C@@H](F)C(=O)NC(C)(C)C1CC1 1337116376 YZBPNSVYLIFVNX-MRVPVSSYSA-N 187.258 2.039 0 20 AEAD NC[C@H](c1cccs1)C(F)F 1536059972 KAJFOGNQDCNPLG-RXMQYKEDSA-N 177.219 2.056 0 20 AEAD C[C@H]1[C@@H](O)CCN1CCC1CCCC1 1658665885 GJXFLJLRZXOKGN-JQWIXIFHSA-N 197.322 2.022 0 20 AEAD CCc1cccc(N(C)C(C)=O)c1 2525100 LSHWWTSFNVWZQK-UHFFFAOYSA-N 177.247 2.232 0 20 AEAD COCCNc1c(C)cccc1C 5161200 OTKGPBKVICJCOU-UHFFFAOYSA-N 179.263 2.362 0 20 AEAD in-vitro CC(C)CCN[C@H](C)C1CC1 19911989 LAXGDWPUMQWQIM-SECBINFHSA-N 155.285 2.421 0 20 AEAD CC[C@@H](CO)NC1CCCCCC1 20194481 ZJFAGTPNYPQPQQ-JTQLQIEISA-N 185.311 2.070 0 20 AEAD CCCc1nc(C)cs1 32153920 WUISKNCHCVXERE-UHFFFAOYSA-N 141.239 2.404 0 20 AEAD C=CCOC(=O)c1cccc(OC)c1 32191603 YVYUGGDSHHVJJT-UHFFFAOYSA-N 192.214 2.038 0 20 AEAD CC(C)CC[C@@H](C)N[C@@H]1CCCNC1 32509022 PZSDVMAKUFYWCX-VXGBXAGGSA-N 198.354 2.153 0 20 AEAD CC[C@H](C)SCC(C)=O 35182644 PANTYORROMDCNS-ZETCQYMHSA-N 146.255 2.107 0 20 AEAD C[C@@H](CCc1ccco1)NC1CC1 35450465 LVWKAEUHESKNCO-VIFPVBQESA-N 179.263 2.353 0 20 AEAD 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0 20 AEAD C[C@H](O)CCCN[C@@H]1[C@@H](C)CC[C@H]1C 829667950 OIUCDMZDVKRXPC-WHOHXGKFSA-N 199.338 2.172 0 20 AEAD C[C@@H]1CCC[C@@]1(C)C(=O)OCCF 835174338 IUMSEXUIZVSJCT-PSASIEDQSA-N 188.242 2.325 0 20 AEAD CC(C)[C@@H](C)OC(=O)c1ccsn1 835227561 KUBBEFVBOPPUJM-SSDOTTSWSA-N 199.275 2.344 0 20 AEAD CC/C(C)=C/C(=O)O[C@@H]1CCO[C@@H]1C 835317273 XATBBXKUUUNOEW-WENXHQBNSA-N 198.262 2.063 0 20 AEAD CS[C@H](C)COC(=O)C(C)(C)C 835677956 QLMZUFQECVOYTK-SSDOTTSWSA-N 190.308 2.327 0 20 AEAD C/C=C(\C)C(=O)NCC1=CCCC1 856096077 NSWMIFBONSMBTO-YCRREMRBSA-N 179.263 2.179 0 20 AEAD O=C(OCCCC1CC1)C1=COCC1 869401715 WGQDDROTCLPROD-UHFFFAOYSA-N 196.246 2.024 0 20 AEAD c1ccc(SCCOC2CC2)nc1 915657743 XKOOQEUSFBERQM-UHFFFAOYSA-N 195.287 2.353 0 20 AEAD Cc1ccc(C(=O)NC/C=C/Cl)o1 1289555055 RPMGSRBMYGTIEI-GORDUTHDSA-N 199.637 2.070 0 20 AEAD CCN(Cc1ccno1)C(C)(C)C 1325197351 NOSRUKIWCJRQKX-UHFFFAOYSA-N 182.267 2.295 0 20 AEAD Cc1cncc(N(C)[C@H](C)C2CC2)n1 1336971789 UDBJTDLELJIQLQ-SECBINFHSA-N 191.278 2.020 0 20 AEAD 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CCCCN(C[C@H]1CCCN1)C1CC1 42491300 CXDJKHGQXMPLLH-LLVKDONJSA-N 196.338 2.003 0 20 AEAD Cc1ccnc(-n2nc(C)cc2C)c1 43671679 JESIVANAMNCKMG-UHFFFAOYSA-N 187.246 2.193 0 20 AEAD CSCCN[C@H]1CC[C@H](C)C1 70644243 UTVLGLRVMUCRPB-IUCAKERBSA-N 173.325 2.128 0 20 AEAD CC(C)[C@H](C)C(=O)NC1CCCC1 78586101 FRZBIOGXAXLMNR-VIFPVBQESA-N 183.295 2.337 0 20 AEAD CC(C)(C)CCN1CCNC(C)(C)C1 82925848 SNMIJGKZMBBQAW-UHFFFAOYSA-N 198.354 2.106 0 20 AEAD CCCN(CCC)CC1(O)CCCC1 83587762 UQEGEVGTTPGQOG-UHFFFAOYSA-N 199.338 2.414 0 20 AEAD Clc1nsnc1-c1ccoc1 84025952 HVFYDAGXDHLMPD-UHFFFAOYSA-N 186.623 2.452 0 20 AEAD Cc1nsc(N[C@@H]2CC=CCC2)n1 84080406 YZRVRANJVCXCHH-MRVPVSSYSA-N 195.291 2.367 0 20 AEAD Cc1cccc([C@@]2(N)C[C@H]2C)c1 84329797 LPELEYWSCGGKKH-MWLCHTKSSA-N 161.248 2.189 0 20 AEAD CCOCCC1(CNCC(C)C)CC1 85035616 KZKJVDJSICQNDI-UHFFFAOYSA-N 199.338 2.439 0 20 AEAD N[C@@H]1CC[C@]12CCCc1ccccc12 95831390 VTXPMARAOFGHLQ-OLZOCXBDSA-N 187.286 2.382 0 20 AEAD CC[C@@](F)(CN)c1ccc(F)cc1 108297823 FIZBUPRCHRAKJD-SNVBAGLBSA-N 185.217 2.359 0 20 AEAD COC(=O)C[C@H]1CCc2ccccc21 116271594 LPTKSTODEQFEGI-SNVBAGLBSA-N 190.242 2.280 0 20 AEAD CC1(C)CC[C@H](NC(=O)NC2CC2)C1 122342282 BFYFWUVOFZPHSL-VIFPVBQESA-N 196.294 2.027 0 20 AEAD CCN(C)C(=O)N[C@@H]1CCC(C)(C)C1 122416373 WYZMXXDWZURJHP-SECBINFHSA-N 198.310 2.226 0 20 AEAD COC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 123457653 LUVQNTLDTSXWJK-DJLDLDEBSA-N 185.267 2.167 0 20 AEAD CC1(C)CC[C@H](NCC2(N)CCC2)C1 129577901 AHNPHSANOHYVEL-JTQLQIEISA-N 196.338 2.036 0 20 AEAD Cc1ccc(F)cc1NCC[C@@H](C)O 133544392 HNJUHRAZWNRRNN-SECBINFHSA-N 197.253 2.317 0 20 AEAD CC[C@@H](C)NCCc1c(C)noc1C 167450772 QOEWQKSUPDIQAE-MRVPVSSYSA-N 196.294 2.222 0 20 AEAD N[C@@H]1C[C@H]1c1cc(F)cc(Cl)c1 168316052 VKPWOCLPLDKYLT-DTWKUNHWSA-N 185.629 2.294 0 20 AEAD CCCCN[C@H](C)c1ccc[nH]1 204732440 VRDMOTRWOCECMQ-SECBINFHSA-N 166.268 2.465 0 20 AEAD COC[C@@H](NC[C@H]1CC1(C)C)C(C)C 222047324 VJGJZQNSJGQXJY-GHMZBOCLSA-N 199.338 2.293 0 20 AEAD CCN(C)C(=O)[C@H](C)C(C)(C)C 222723144 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307694812 XYTIYMXEODTIFW-JTQLQIEISA-N 185.311 2.143 0 20 AEAD CCCN(CC)Cc1cncs1 307950612 NTPDQQJARBTSFE-UHFFFAOYSA-N 184.308 2.375 0 20 AEAD FCCCCN1C2CCC1CC2 308093456 VXGYVMZUIAFZBH-UHFFFAOYSA-N 171.259 2.363 0 20 AEAD CCC(C)(C)NC(=O)[C@H](F)C(C)C 308136534 ABSHHHDWMZCAFR-MRVPVSSYSA-N 189.274 2.285 0 20 AEAD C[C@@H]1CCC[C@H](N[C@H](C)CCCN)C1 308467136 AHHDOJXDRSWTDZ-UTUOFQBUSA-N 198.354 2.282 0 20 AEAD CC[C@H](NCC(C)C)C1CCOCC1 308556669 ZQMATTMBCIFPNU-LBPRGKRZSA-N 199.338 2.437 0 20 AEAD C[C@@H]1CC[C@@H]1NCCCOCC1CC1 308563476 YVSADRXADIDDKM-PWSUYJOCSA-N 197.322 2.191 0 20 AEAD CCC[C@@H](NC[C@@H](C)O)C1CCCC1 313411687 OXJIPKIOWOFKGQ-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD CC[C@H](C)N(C)C(=O)c1ccoc1C 334203768 RGRLIUXYSPXIHJ-QMMMGPOBSA-N 195.262 2.459 0 20 AEAD CC(C)N(C(=O)c1cc[nH]c1)C1CC1 334211063 GNNGLCGZQOIJOJ-UHFFFAOYSA-N 192.262 2.028 0 20 AEAD CCCN1CCSC[C@H]1C1CC1 334627812 SYKZXYSSAPSHIU-JTQLQIEISA-N 185.336 2.224 0 20 AEAD CC[C@@H]1CCN(c2cc(C)ncn2)C1 336184741 UDXQXVXEXNHGGS-SNVBAGLBSA-N 191.278 2.021 0 20 AEAD FC(F)(F)CN1C[C@@H]2CCC[C@H]2C1 336616695 VIYLIEWKIXFRPB-YUMQZZPRSA-N 193.212 2.281 0 20 AEAD CO[C@@H](CC(C)C)c1nc(C)no1 351190458 WDVUVRHLYUOGED-QMMMGPOBSA-N 184.239 2.112 0 20 AEAD CC[C@@]1(C)CCN(CCCF)C1 379312327 YUQLAZXUEJDSGA-JTQLQIEISA-N 173.275 2.468 0 20 AEAD CC(C)C(C)(C)C(=O)NCC(F)F 379404871 SAJQQEZUAJAKOB-UHFFFAOYSA-N 193.237 2.050 0 20 AEAD C[C@H]1CCN1C(=O)CCC(C)(F)F 379416425 RSSBECKRWAMAAJ-ZETCQYMHSA-N 191.221 2.043 0 20 AEAD CC(C)SCCS[C@@H](C)CO 388148130 JKXXNETWIPNGDI-QMMMGPOBSA-N 194.365 2.242 0 20 AEAD CC[C@H](SCC1CC1)C(=O)OC 388523224 YGOPSEUYSVYTCF-QMMMGPOBSA-N 188.292 2.081 0 20 AEAD CC/C=C(/C)C(=O)NCC=C(C)C 388607248 WFWRPWNRVMARFD-POHAHGRESA-N 181.279 2.425 0 20 AEAD C=CCNC(=O)/C=C1\CC[C@H](C)C1 393717876 ZXRDXOJMVPWQNU-WKMLFNHBSA-N 179.263 2.035 0 20 AEAD OCC1(CCC(F)(F)F)CCC1 396460347 JCLAUSCMLAVZLJ-UHFFFAOYSA-N 182.185 2.492 0 20 AEAD CC(C)CCNCCC[C@H]1CCOC1 400544540 LMJAVGBCDDPISJ-LBPRGKRZSA-N 199.338 2.439 0 20 AEAD NCC[C@]12CCCC[C@H]1C2(F)F 409433315 RKGGQZWPERDUIY-HTQZYQBOSA-N 175.222 2.161 0 20 AEAD CC(C)[C@@H]1CC[C@@H](N)[C@H](F)C1 536953176 WZTBAZJNFMIUNN-IWSPIJDZSA-N 159.248 2.108 0 20 AEAD COc1cc(N)c(C(C)=O)cc1Cl 575715773 QPBAEGGOPPKSCO-UHFFFAOYSA-N 199.637 2.133 0 20 AEAD CC[C@H](C)CN(C)c1nccc(C)n1 605570581 YDXCTRIAIAECFE-VIFPVBQESA-N 193.294 2.267 0 20 AEAD CCC[C@H](C)C(=O)N1CC[C@H]2C[C@H]2C1 619354394 HSJFGYQNJUIMJH-DCAQKATOSA-N 195.306 2.291 0 20 AEAD CC[C@H](C)NC(=O)NCC1CC(C)C1 621245187 SECRYEJZSBUNFW-KYHHOPLUSA-N 198.310 2.130 0 20 AEAD CC(C)(C)CCNC(=O)N1CC=CC1 636592465 KVXQRWUOCLBRNM-UHFFFAOYSA-N 196.294 2.004 0 20 AEAD CCC(CC)C(=O)N1CC[C@@H]1C 641241112 JIXXLLLIROAIKK-QMMMGPOBSA-N 169.268 2.043 0 20 AEAD CCCCN(C)C[C@@H](CC)OC 642649504 RWKOBMMPVICSCF-SNVBAGLBSA-N 173.300 2.143 0 20 AEAD CO[C@H](CN(C)C1CCCC1)C1CC1 644919081 KGILXSPCJLAELX-GFCCVEGCSA-N 197.322 2.286 0 20 AEAD CC(C)[C@@H](O)CN1CCCC[C@@H](C)C1 645001322 AGIMFZSQKLQCEM-NEPJUHHUSA-N 199.338 2.125 0 20 AEAD 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C/C=C(\C)C(=O)N[C@@H]1CC12CCC2 874782091 HHMFKNOBLOOPRQ-QZGLAHODSA-N 179.263 2.011 0 20 AEAD CCc1csc(N2C[C@H]3C[C@@H]3C2)n1 884588733 LWSMMYNOTHGYRP-HTQZYQBOSA-N 194.303 2.162 0 20 AEAD C[C@@H]1CC[C@@H]1N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 903255000 VBCFCKRPPYXZAB-UFVWWTPHSA-N 179.307 2.419 0 20 AEAD CC(C)CC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 928046125 MEMQSAKHCZHABQ-CHWFTXMASA-N 195.306 2.193 0 20 AEAD C[C@H]1CC[C@H](CC(=O)NC2(C)CC2)C1 1319177085 HSPJGYQVJLNYCA-UWVGGRQHSA-N 195.306 2.481 0 20 AEAD CCOCCc1nnc([C@@H](C)CC)o1 1322256936 RONXKZPGWACBSF-QMMMGPOBSA-N 198.266 2.162 0 20 AEAD FCC(CF)N[C@@H]1C[C@@H]2CCC[C@@H]21 1664811009 NUNXYJFKZZCRCC-UJNFCWOMSA-N 189.249 2.072 0 20 AEAD CCCOC(=O)/C=C\c1cccnc1 34262963 SUHNQOBJXLDTQG-WAYWQWQTSA-N 191.230 2.048 0 20 AEAD C[C@@H]1CCC[C@@H](Nc2ncccn2)C1 37251516 MNCIINSKPXNURA-NXEZZACHSA-N 191.278 2.467 0 20 AEAD C[C@H](NC1CC1)C(C)(C)C 40543406 LTQQLLZCUAPAEC-ZETCQYMHSA-N 141.258 2.173 0 20 AEAD CCC1CCC(N(C)C[C@H](C)O)CC1 42318650 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CCN(CC)Cc1cnn(C(C)C)c1 678120445 UBBOGMVFTOZFRO-UHFFFAOYSA-N 195.310 2.306 0 20 AEAD CC/C=C/CCN1CCC[C@@]1(C)CO 681030800 HHXZMEZWKRAVDK-ITKZLYELSA-N 197.322 2.190 0 20 AEAD CC[C@@H](C)CN(C)c1nccnc1C 685907430 DRVSNNWRRAEFRW-SECBINFHSA-N 193.294 2.267 0 20 AEAD CCC[C@@H](CN[C@@H]1C=CCC1)OC 700523410 FIROBCDWEKVNFH-MNOVXSKESA-N 183.295 2.110 0 20 AEAD NC1CCC(=Cc2cccnc2)CC1 718978013 VIJDFLWDHKZQET-UHFFFAOYSA-N 188.274 2.366 0 20 AEAD CC(C)=C(C)C(=O)NCc1ccco1 751114256 OONBPFSBXNFXDJ-UHFFFAOYSA-N 193.246 2.252 0 20 AEAD Cc1cc(C)cc(N[C@@H](C)CCO)c1 779418109 RTNSRPNETYCJMC-NSHDSACASA-N 193.290 2.486 0 20 AEAD CC[C@@H](C)C(=O)OCc1cc(C)no1 817813407 FPUVRZAOBIIXSE-SSDOTTSWSA-N 197.234 2.072 0 20 AEAD CC/C(C)=C\C(=O)OCC(F)(F)F 835082608 VDSUMNDIYJQLOG-XQRVVYSFSA-N 196.168 2.448 0 20 AEAD CC(C)SCSCCCO 863347611 YUZDOFIVNCRGJV-UHFFFAOYSA-N 180.338 2.201 0 20 AEAD c1nc(SCCCC2CC2)n[nH]1 865343988 VYHIYBDAUDFMPT-UHFFFAOYSA-N 183.280 2.087 0 20 AEAD CC(C)C1=NN(C2CCC2)C(=O)CC1 871942829 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2.175 0 20 AEAD CC(C)[C@H](C(=O)O)c1ccco1 19726448 NWVJCTJHXGGBBV-QMMMGPOBSA-N 168.192 2.104 0 20 AEAD CCCCCN[C@H]1CCSC1 19901259 ARLVALGQPASVJW-VIFPVBQESA-N 173.325 2.272 0 20 AEAD COC(=O)[C@@H]1CCCC(C)(C)C1 33951056 BSBYCHDVFUBBOV-MRVPVSSYSA-N 170.252 2.376 0 20 AEAD Clc1ccnc(-c2ccncc2)n1 37412467 BBRWYVYBIRGEQK-UHFFFAOYSA-N 191.621 2.192 0 20 AEAD Cc1c(CC2CCCC2)nn(C)c1N 38137670 PVAMWGGSBMUJSQ-UHFFFAOYSA-N 193.294 2.043 0 20 AEAD CCOC(=O)C1=CCCCCC1 39402327 IOJAPNDAGNGWFG-UHFFFAOYSA-N 168.236 2.440 0 20 AEAD CCOC[C@@H](C)NC[C@H]1CC=CCC1 44689992 CKNPBYTUYQFWEV-NEPJUHHUSA-N 197.322 2.357 0 20 AEAD CCc1nc(CNCC2CC2)cs1 49591246 NHXPTPNBYJPDMB-UHFFFAOYSA-N 196.319 2.205 0 20 AEAD CCN(CCCCCO)CC(C)C 51019801 LFBVXVQIPKFACM-UHFFFAOYSA-N 187.327 2.127 0 20 AEAD COc1ccc([C@H]2C[C@@H]2CN)cc1C 54587101 LPFHGZRUZYMKNJ-GHMZBOCLSA-N 191.274 2.066 0 20 AEAD COCc1cccc(F)c1F 59873362 ILBPSZFHHSOZTN-UHFFFAOYSA-N 158.147 2.111 0 20 AEAD CC(C)[C@@]1(C)CCCNC1 70063925 DNVOYVUSHUWVBA-VIFPVBQESA-N 141.258 2.032 0 20 AEAD C[C@@]1(c2ccsc2)CCCNC1 70063935 HTYYOUUQTFSSNI-SNVBAGLBSA-N 181.304 2.389 0 20 AEAD Cc1noc(C)c1[C@H](C)NCC1CC1 78679742 ZKBKSBXPKUQRQQ-ZETCQYMHSA-N 194.278 2.352 0 20 AEAD c1nc(C2CC2)c(CNC2CC2)s1 82435026 IEUGWGSJUDRBEQ-UHFFFAOYSA-N 194.303 2.273 0 20 AEAD Cc1nsc(N[C@@H]2CC2(C)C)n1 83648481 XNQLCDGEQPVHEA-ZCFIWIBFSA-N 183.280 2.057 0 20 AEAD CC(C)CCC[C@@H](C)N[C@H]1CCNC1 86725391 HZMSWUBKGHFMLY-NEPJUHHUSA-N 198.354 2.153 0 20 AEAD CCc1cnc(Cl)c(C=O)c1 90415728 QCLSFDXSENHBBB-UHFFFAOYSA-N 169.611 2.110 0 20 AEAD CC(C)=C[C@@H]1CCCCN1 104699955 QJQFNLSMGWWICY-VIFPVBQESA-N 139.242 2.095 0 20 AEAD C[C@@H]1CC[C@@H](NCc2cccn2C)C1 122043706 ROSVPZHQVFSXAM-GHMZBOCLSA-N 192.306 2.303 0 20 AEAD FC(F)Cn1cnc2c1CCCC2 124060343 NFSRPSNZOLXZGL-UHFFFAOYSA-N 186.205 2.027 0 20 AEAD CC(C)[C@H](C)N[C@H]1CCN(C)[C@@H](C)C1 129745265 OZNDRPYUBDSWHU-SRVKXCTJSA-N 198.354 2.103 0 20 AEAD CC(C)C[C@@H](C)Nc1ncc(F)cn1 158709014 CKCVXJLRXJGTTD-MRVPVSSYSA-N 197.257 2.462 0 20 AEAD CNC(=O)NCCCCC(C)(C)C 165316155 JDPSXSGQVKKFOP-UHFFFAOYSA-N 186.299 2.132 0 20 AEAD C[C@H]1C[C@@H](C)CN1c1ccccn1 202216724 KZCIBIHIXMZMQX-ZJUUUORDSA-N 176.263 2.316 0 20 AEAD COC[C@H](NCC1(C)CC1)C(C)C 222189710 LTDMJXRTDYOHBQ-JTQLQIEISA-N 185.311 2.047 0 20 AEAD CO[C@H](C)[C@@H](C)NCc1ccc(C)o1 229380119 DGQRCMAEQNKOGJ-NXEZZACHSA-N 197.278 2.101 0 20 AEAD CC(C)(C)NC(=O)NC[C@@H]1CC1(C)C 229588200 CFVMRXMYDYPLRA-QMMMGPOBSA-N 198.310 2.130 0 20 AEAD COCc1csc([C@@H]2CCCO2)n1 231721506 YBGAYSPLVBGFLJ-QMMMGPOBSA-N 199.275 2.141 0 20 AEAD CC[C@H](C)C[C@H](C)N[C@H](C)COC 251950864 ULEUFHJTMTUTLG-GARJFASQSA-N 187.327 2.436 0 20 AEAD C1CNC[C@@H](CCC2CCOCC2)C1 259221969 UGTZOOOFHBRRNB-GFCCVEGCSA-N 197.322 2.193 0 20 AEAD FCCN1CCC[C@H]1C1CCC1 306453510 NYEOOLZLAHGBNH-JTQLQIEISA-N 171.259 2.220 0 20 AEAD CC1(C)CC[C@H]1NCc1ccncc1 306505850 FXOUBQXWKLKEIT-LLVKDONJSA-N 190.290 2.360 0 20 AEAD CC[C@@]1(C)CCN(C(=O)C2CC2)C1 306569359 KYPSWWYRJVIQKI-NSHDSACASA-N 181.279 2.045 0 20 AEAD Cc1cnc(N[C@H](C)C2CC2)nc1C 306718007 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193.290 2.188 0 20 AEAD CC(C)C(=O)N1CC(C)(C)[C@@H]1C1CC1 335373556 BWPODNWDIYDAQC-JTQLQIEISA-N 195.306 2.289 0 20 AEAD C[C@@H]1CCN(Cc2cnc[nH]2)[C@H](C)C1 335529705 SCBPBNXRPGKXBF-NXEZZACHSA-N 193.294 2.030 0 20 AEAD C1CC1CN1CC[C@H](C2CC2)C1 335569622 QCKKYCDNOOXHGG-NSHDSACASA-N 165.280 2.128 0 20 AEAD C[C@@H]1CCC[C@H]1NC(=O)CC1(C)CC1 336331607 LDFXAZCHFPXRNS-NXEZZACHSA-N 195.306 2.481 0 20 AEAD C[C@@H]1CC=CC[C@H]1C(=O)NCC1CC1 336359583 UXUXTHRAOSUZKR-MWLCHTKSSA-N 193.290 2.115 0 20 AEAD CC[C@H]1CCN(c2cncc(C)n2)C1 336591352 YBYOHTKERXFWTC-JTQLQIEISA-N 191.278 2.021 0 20 AEAD CC1(C(=O)OC/C=C/Cl)CCC1 379311757 QKKFRUDUIOQYQV-ZZXKWVIFSA-N 188.654 2.472 0 20 AEAD CCCN(C)C(=O)CC1(C)CC1 379320219 VISVRCMHHKCLGE-UHFFFAOYSA-N 169.268 2.045 0 20 AEAD CCCCNC(=O)C[C@H](C)CC 379328529 PWWPCTYUAKNYDW-SECBINFHSA-N 171.284 2.339 0 20 AEAD CCc1nnc([C@H](CC)SC)o1 379331489 DIQVFHWXJIALMT-LURJTMIESA-N 186.280 2.446 0 20 AEAD CC[C@H](C)N[C@H](C)c1cc(C)nn1C 379544500 UTMQKLQCYYHVFN-WCBMZHEXSA-N 195.310 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CCCC(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 851413770 RHOGBRSKIDUZAH-OWUUHHOZSA-N 182.263 2.376 0 20 AEAD C/C=C/C=C\C(=O)N[C@@H](CC)C1CC1 855855855 HPGJACVLTDUVQL-BQJBQUMCSA-N 193.290 2.424 0 20 AEAD CCn1ncnc1-c1cccs1 864534606 YDTPSLBRWRRNMK-UHFFFAOYSA-N 179.248 2.027 0 20 AEAD C[C@H]1CCC[C@H]1Nc1ccc(F)nn1 865511469 GDYWIUSTUCCXCF-JGVFFNPUSA-N 195.241 2.216 0 20 AEAD CC(C)=C(C)C(=O)N1C[C@H]2C=C[C@H]1C2 893850971 JEVSBLACWGYDIE-QWRGUYRKSA-N 191.274 2.130 0 20 AEAD Cc1ncoc1CN1C[C@H](C)C[C@H]1C 894044959 NPZWRKCMIREMPW-RKDXNWHRSA-N 194.278 2.213 0 20 AEAD CC(C)OC[C@H](C)NC/C=C\Cl 898430051 TZOJLBBMKONIHT-WBSSQXGSSA-N 191.702 2.142 0 20 AEAD C/C(Cl)=C\C(=O)NCC1=CCCC1 912689982 GIOHGNIBWQLZPO-SOFGYWHQSA-N 199.681 2.356 0 20 AEAD CCN(C[C@H]1CCCCO1)C(C)C 917089819 ZUABPKXGUOHIAX-LLVKDONJSA-N 185.311 2.286 0 20 AEAD CC(C)[C@H]1C[C@H](NC2(C)CC2)CCO1 1116482554 MMINKSACEBHPCV-GHMZBOCLSA-N 197.322 2.332 0 20 AEAD CNC[C@H](C)CN[C@@H]1CCCC1(C)C 1118119624 OKISOOGEHSSHBU-WDEREUQCSA-N 198.354 2.010 0 20 AEAD CC(C)Cc1nnc(C(C)(F)F)o1 1256400233 IQPKNKDOEINGAO-UHFFFAOYSA-N 190.193 2.380 0 20 AEAD CCCCC[C@H](C)NC(=O)C1CC1 6042484 HYJJZZHRFQDBAZ-VIFPVBQESA-N 183.295 2.481 0 20 AEAD COc1cc(C=O)cc2ccoc12 20441907 VZDMYPIDINNYHD-UHFFFAOYSA-N 176.171 2.254 0 20 AEAD COC(=O)Oc1ccc(Cl)cc1 32155314 JRVMCRZYKVRMRU-UHFFFAOYSA-N 186.594 2.485 0 20 AEAD CCCOC(=O)c1cc(C)ccc1N 33509389 VVJBZMPOXGEAFQ-UHFFFAOYSA-N 193.246 2.144 0 20 AEAD CC[C@@H](C)Nc1cc(C)nc(C)n1 37498654 AJHFXFMTNDRQPU-SSDOTTSWSA-N 179.267 2.304 0 20 AEAD C[C@H]1CCCN1CCNC1CCCC1 37911239 LFYXHXNQSAXJGQ-NSHDSACASA-N 196.338 2.003 0 20 AEAD CC(C)(C)CC(C)(C)NCCCN 41620045 KPHYVBAAKKFLDS-UHFFFAOYSA-N 186.343 2.140 0 20 AEAD Cc1ccc(C)c(OC[C@@H](C)O)c1C 44233294 AEHRXFIZFUUELZ-SNVBAGLBSA-N 194.274 2.371 0 20 AEAD C[C@@H](CN)CC1CCCC1 52946771 SKIOPWICPSTWBL-MRVPVSSYSA-N 141.258 2.162 0 20 AEAD Cc1ccc([C@@H]2C[C@@H]2CN)s1 54586986 IKYKSJSKGCRNTP-HTQZYQBOSA-N 167.277 2.119 0 20 AEAD CC(C)(CN)Cc1ccc(F)cc1F 54634511 MVPCVKSNYDPALN-UHFFFAOYSA-N 199.244 2.492 0 20 AEAD C[C@@H](C(=O)NCC1CCCC1)C1CC1 62445006 FSJLNEXAPKOWCL-SECBINFHSA-N 195.306 2.339 0 20 AEAD NC1(c2ccc3ncccc3c2)CC1 62802620 ZFOTUWRNOLDZFA-UHFFFAOYSA-N 184.242 2.183 0 20 AEAD CC[C@@H](C)Oc1cnnc(Cl)c1 91366470 QVLMBFLKBRBWBT-ZCFIWIBFSA-N 186.642 2.307 0 20 AEAD Cc1ccc(OC2CC2)c(N)c1 95720261 KGZBKFIOAWMGBY-UHFFFAOYSA-N 163.220 2.118 0 20 AEAD C=C(F)c1ccccn1 96675579 BAYUCSDZZOWUIA-UHFFFAOYSA-N 123.130 2.022 0 20 AEAD CCC1(CN[C@@H]2CCO[C@H]2C)CCC1 125380438 YYFAOMQYSLDZLV-WDEREUQCSA-N 197.322 2.334 0 20 AEAD Cc1nccc(N[C@@H]2CC[C@@H](C)C2)n1 129621643 GFABLXGTBICJPR-PSASIEDQSA-N 191.278 2.386 0 20 AEAD CCC[C@@H](CC)NC[C@H]1CCCN1C 132712981 CWSMZNDHHPLYFK-VXGBXAGGSA-N 198.354 2.249 0 20 AEAD CC(C)[C@H](O)CN[C@@H](C)CC1CCC1 133727423 YXLSLAANSVMDJP-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD CC/C(C)=C1/CCCNCC1 157412872 FOHMTUKMLJLGGI-KTKRTIGZSA-N 153.269 2.486 0 20 AEAD Fc1cnc(NC2CCCCC2)nc1 158580273 ALKAVQPEZJMLIH-UHFFFAOYSA-N 195.241 2.360 0 20 AEAD CCCCCNC(=O)CC(F)(F)F 201015132 UGJXUCUWLCODPT-UHFFFAOYSA-N 197.200 2.245 0 20 AEAD CCCCC[C@@H](C)N[C@@H]1CCC[C@H]1O 226262998 JUAMETDSXPPIHU-IJLUTSLNSA-N 199.338 2.458 0 20 AEAD CCC(C)(C)CN[C@H](C)[C@@H]1CCOC1 232991381 DXIDTMMOLJKLMI-GHMZBOCLSA-N 199.338 2.437 0 20 AEAD CN[C@H]1CCCCCC1(F)F 258617402 WLYLQSVGXHGTST-ZETCQYMHSA-N 163.211 2.174 0 20 AEAD CC(C)N[C@H]1CC[C@@H]1C1CC1 306264303 DZSCGKCFGCEVPN-ZJUUUORDSA-N 153.269 2.173 0 20 AEAD CC(C)c1noc(C[C@@H]2C[C@H]2C)n1 306523439 NUAAFFROAYCESW-SFYZADRCSA-N 180.251 2.392 0 20 AEAD Cc1ccnc([C@@H](C)NC2CC2)c1 306784396 HYFBZPKTDHVFDL-SECBINFHSA-N 176.263 2.203 0 20 AEAD C[C@H]1CCN(c2ncccc2F)C1 306923723 GMTVJNUYKLBGKW-QMMMGPOBSA-N 180.226 2.067 0 20 AEAD CC(=O)[C@H](C)Sc1ccncc1C 307109756 HFNOSSWNBNZVDG-VIFPVBQESA-N 195.287 2.460 0 20 AEAD CC1=C[C@@H](C)CN(CC2CC2)C1 307176999 HRUXFBRCOIAGIM-SECBINFHSA-N 165.280 2.294 0 20 AEAD Cc1cscc1-c1cn[nH]c1 307258865 FSQQLXOBMQETBV-UHFFFAOYSA-N 164.233 2.447 0 20 AEAD CC(C)(C)CC(=O)OCC1CC1 307963483 OMODLAOWNCVKCK-UHFFFAOYSA-N 170.252 2.376 0 20 AEAD CCCN(CCF)CC(F)(F)F 307998368 XSIVVJLOPKRUJL-UHFFFAOYSA-N 187.180 2.230 0 20 AEAD CCCC1(C(=O)NC2CCC2)CC1 308248283 ZDHDNQMGSWJJPX-UHFFFAOYSA-N 181.279 2.235 0 20 AEAD CCC(CC)NC(=O)CC1CCC1 308285667 BTCUUIBLFWYNBV-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CO[C@H](CNC1CCCC1)C(C)C 308304849 NBKRSIFRQOUOGL-LLVKDONJSA-N 185.311 2.190 0 20 AEAD C/C(=C\C(N)=O)c1cccc(Cl)c1 308339335 PYMDYYXMZIBZBN-FNORWQNLSA-N 195.649 2.229 0 20 AEAD CCC[C@@H](C)OC(=O)[C@H](CC)OC 308384271 VZSQMJGSECIZJL-BDAKNGLRSA-N 188.267 2.143 0 20 AEAD CC(C)[C@](C)(O)CN[C@H]1CCC1(C)C 308564854 ZMLOMBIEZBBLCT-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD Cc1[nH]ncc1[C@H](C)NCC(C)(C)C 308647085 IEQDPEQMHPHFEA-QMMMGPOBSA-N 195.310 2.415 0 20 AEAD C[C@@]1(F)CCN(Cc2ccccn2)C1 334291585 LXAYRUNNFWBBRP-LLVKDONJSA-N 194.253 2.016 0 20 AEAD CCN(C)C(=O)c1ccc(C)c(C)c1 334469621 ZNIFRUDHVSOSFO-UHFFFAOYSA-N 191.274 2.395 0 20 AEAD CCC1CN(Cc2cnc(C)s2)C1 334522130 JFEMZXQOUFPVEW-UHFFFAOYSA-N 196.319 2.293 0 20 AEAD C[C@H](CN)N[C@@H]1CCCC12CCCC2 335468492 REOCYVIEBZJWGJ-GHMZBOCLSA-N 196.338 2.036 0 20 AEAD CC[C@H](C)NC(=O)C[C@@H](C)SC 379316543 ZSNORCYSEXVPLW-JGVFFNPUSA-N 189.324 2.043 0 20 AEAD C/C=C\COC(=O)CCC(F)(F)F 388802398 PCFWVPGPDGKOIQ-IHWYPQMZSA-N 196.168 2.448 0 20 AEAD CC[C@H](C)CCNC[C@H]1CCCOC1 394475278 MQUZLEXCXFHGBA-NWDGAFQWSA-N 199.338 2.439 0 20 AEAD CC(C)[C@H]1CNc2ccc(N)cc21 536953715 OWCJFKCCKRTHKS-SNVBAGLBSA-N 176.263 2.434 0 20 AEAD CC[C@H](C)C[S@](=N)(=O)C(C)C 536959005 VTPPOTNGWGKEDD-KWQFWETISA-N 177.313 2.488 0 20 AEAD CC(C)N(C)C(=O)[C@@H](C)c1ccco1 607455503 MCAMFUIBNSGFCJ-VIFPVBQESA-N 195.262 2.250 0 20 AEAD CC[C@H](NC(=O)C1=CCCC1)C1CC1 618872176 XXXOMWLUNKJJOJ-NSHDSACASA-N 193.290 2.402 0 20 AEAD CCCCN(C[C@H]1CCOC1)C1CC1 642621750 SJLCSDVQTUEUNK-LLVKDONJSA-N 197.322 2.287 0 20 AEAD C[C@@H](NC(=O)[C@]12CCC[C@@H]1C2)C1CC1 643317286 CHNJPRDTPFPVHU-UISBYWKRSA-N 193.290 2.091 0 20 AEAD CC[C@H](C)C[C@@H](CC)N[C@H]1C[C@H](O)C1 658352111 STFNSTGXLOAEKD-USZNOCQGSA-N 199.338 2.314 0 20 AEAD CCCC(=O)c1ncccc1NCC 663315667 LMIXFIHNFMSMEG-UHFFFAOYSA-N 192.262 2.496 0 20 AEAD C[C@H](CC1CCC1)NCC1(N)CCC1 666827577 BFHBJLGKOVTCFC-SNVBAGLBSA-N 196.338 2.036 0 20 AEAD C[C@H](C(=O)NC(C)(C)C1CC1)C1CC1 673899571 JOEUFFWCOIIBDS-QMMMGPOBSA-N 195.306 2.337 0 20 AEAD C[C@H]1COC(C)(C)CN1CC1CCC1 683102185 QKIFCTMMWHCGPC-JTQLQIEISA-N 197.322 2.286 0 20 AEAD C[C@H]1CCC[C@@H]1CNC(=O)CC1CC1 684946929 TUWGKBKIJMGLEW-GXSJLCMTSA-N 195.306 2.339 0 20 AEAD C[C@H]1C[C@H]1CS[C@H](C)CC(=O)O 722532286 SXXZKCBNJUKXHY-RNJXMRFFSA-N 188.292 2.239 0 20 AEAD CC[C@@H](C)N(OC)C(=O)c1ccoc1 768898055 UVIDQDGRWSZLLE-MRVPVSSYSA-N 197.234 2.082 0 20 AEAD CCC(=O)OC[C@@H](OC)[C@@H](C)CC 835624485 SIBHTFDTIPZRRO-DTWKUNHWSA-N 188.267 2.001 0 20 AEAD CC(C)O[C@H]1C[C@@H](N[C@@H]2CC[C@H]2C)C1 839148338 ZFNRTFIIQCEYHN-WISYIIOYSA-N 197.322 2.331 0 20 AEAD CNC(=N)NCC[C@H](C)CC(C)(C)C 849021186 ZPDZAEOJCBHNDV-VIFPVBQESA-N 199.342 2.193 0 20 AEAD CC(C)ONC(=N)CCC(F)(F)F 863490056 CJSITOXDJWLQSH-UHFFFAOYSA-N 198.188 2.236 0 20 AEAD C[C@@H]1CC[C@H](Nc2ccc(F)nn2)C1 865709259 RAXAIYWLDVGOCR-SFYZADRCSA-N 195.241 2.216 0 20 AEAD c1ncc(OCC2CCCC2)cn1 901703712 LZQCRBOIGBEDJF-UHFFFAOYSA-N 178.235 2.046 0 20 AEAD Cc1coc(SCCOC2CC2)n1 917544928 MNXVBXQHRQOLOZ-UHFFFAOYSA-N 199.275 2.254 0 20 AEAD C=CC(=O)NC(C)(C)CC(F)(F)F 1353214371 DTTULIHQFUQXRZ-UHFFFAOYSA-N 195.184 2.020 0 20 AEAD CS[C@@H](CC(C)(C)C)C(=O)O 1599784623 OEQAVIBRSLMRCT-LURJTMIESA-N 176.281 2.239 0 20 AEAD O=C(O)CSC[C@@H]1C[C@H]2C=C[C@@H]1C2 1602097340 NAJTZXFNSOOACQ-YIZRAAEISA-N 198.287 2.016 0 20 AEAD CCN[C@H](C)[C@@H](C)CC 20084583 WKHYDNYWGQRCPY-JGVFFNPUSA-N 129.247 2.031 0 20 AEAD CC[C@H](C)CNCCCOCC1CC1 20191231 LFHZOBZVXSGNAB-NSHDSACASA-N 199.338 2.439 0 20 AEAD CCNc1nc(-c2ccccc2)no1 21922204 JCOWMLQAKJMRSU-UHFFFAOYSA-N 189.218 2.168 0 20 AEAD C[C@H]1C[C@H]1c1ccc(C(N)=S)o1 34961457 MTKVXWCUUMMXKB-NTSWFWBYSA-N 181.260 2.037 0 20 AEAD CO[C@@H]1CCCC[C@H]1NCC(C)C 37186799 BACHKSSMRYLSPC-GHMZBOCLSA-N 185.311 2.190 0 20 AEAD CN(C)c1nccc2ccccc12 38482112 XTHYPMGIQCRPQH-UHFFFAOYSA-N 172.231 2.301 0 20 AEAD COCC[C@H](N)c1ccccc1Cl 42436454 PNOYCWMVJKRRNH-JTQLQIEISA-N 199.681 2.376 0 20 AEAD CCCCN(C[C@@H](O)CC)C1CC1 42490935 PQFXMKQNBQXQNM-NSHDSACASA-N 185.311 2.022 0 20 AEAD CC[C@@H](C)N(CC)CCCCCO 51019799 QGDUNDZJLOYLGX-LLVKDONJSA-N 187.327 2.269 0 20 AEAD CC(C)CC(=O)NOC1CCCC1 74581187 AVCQHDONIUKXMJ-UHFFFAOYSA-N 185.267 2.023 0 20 AEAD CC(=O)N1CCC[C@H](C(C)C)CC1 78770785 LMIYKRLAFNCJBW-NSHDSACASA-N 183.295 2.291 0 20 AEAD CCC(=O)N1CCC(C)(CC)CC1 82353567 AFYOQLRCJALISM-UHFFFAOYSA-N 183.295 2.435 0 20 AEAD CC[C@@H]1CNCCN1C1CCCCC1 83086500 NNCZAXLHAUEEHP-LLVKDONJSA-N 196.338 2.003 0 20 AEAD CON(C)C(=O)C1CCCCCCC1 83187958 WFEFKCZPOMAMIK-UHFFFAOYSA-N 199.294 2.367 0 20 AEAD Cc1nsc(NCC2CCC2)n1 83647968 YHNOCTHQBIKMKS-UHFFFAOYSA-N 183.280 2.059 0 20 AEAD CCOC(=O)c1oc(C(C)C)nc1C 84122853 XCIUGBQZSIDARU-UHFFFAOYSA-N 197.234 2.283 0 20 AEAD CCN(CC)C(=O)CCC(F)(F)F 84123932 KGSBVZHRYSRESZ-UHFFFAOYSA-N 197.200 2.197 0 20 AEAD C[C@@H]1CNCC[C@@H]1c1cccs1 86192084 RAHSECXXAXHLHF-BDAKNGLRSA-N 181.304 2.461 0 20 AEAD CC[C@@H]1C[C@H](NC2CC(C)C2)CCO1 123316261 UVQQHXZKBYBULR-RUJICJSRSA-N 197.322 2.332 0 20 AEAD CCNC(=O)N[C@H]1CCCC(C)(C)C1 127598738 QHDGWDFUXXYJQS-VIFPVBQESA-N 198.310 2.274 0 20 AEAD CCCC[C@H](CC)NCC1(CO)CC1 132379879 LVUJFUDPJOEGGT-NSHDSACASA-N 199.338 2.317 0 20 AEAD CCC[C@@H](CC)NC[C@H](O)C(C)C 132764258 WRCQYFPFAVWROM-MNOVXSKESA-N 187.327 2.172 0 20 AEAD CCCNC(=O)N[C@H](C)CC(C)C 136071291 DELGLHWEFKLTRF-SECBINFHSA-N 186.299 2.130 0 20 AEAD COC[C@H](C)NC[C@@H](C)C(C)(C)C 161991054 FWNQMHGRYULGBQ-ZJUUUORDSA-N 187.327 2.293 0 20 AEAD CSc1nccn1C(C)C 196532814 NVHZSIMOPJXJKB-UHFFFAOYSA-N 156.254 2.186 0 20 AEAD C[C@@H](N)c1cc(Cl)c(O)cc1F 213439581 WTNBYBFCBXPLFZ-SCSAIBSYSA-N 189.617 2.204 0 20 AEAD CCNC(=O)NCC1(C)CCCCC1 229542075 LUHFBHRTLQXGRO-UHFFFAOYSA-N 198.310 2.276 0 20 AEAD CC1(CNCCCCCC(=O)O)CC1 232809288 XMGSLUOKINAIRL-UHFFFAOYSA-N 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C[C@@H]1CC[C@H](NCC2CCOCC2)C1 70644218 WSULUEYXIXEYSM-PWSUYJOCSA-N 197.322 2.191 0 20 AEAD Oc1ccccc1[C@@H]1CCC[C@H]1O 75568447 GRGCQHCYYXXYRP-GXSJLCMTSA-N 178.231 2.021 0 20 AEAD CC(C)C[C@@H](CN)NC1CCCCC1 83760154 FCCLZHBSYPBLNY-LBPRGKRZSA-N 198.354 2.282 0 20 AEAD C1=CO[C@H](CN[C@H]2CC=CCC2)CC1 84066535 WQNDELFHMDOUKT-RYUDHWBXSA-N 193.290 2.377 0 20 AEAD CCc1ccc([C@@H]2NC(=O)[C@@H]2C)cc1 85526867 NWVNYOXRXAPLDJ-LDYMZIIASA-N 189.258 2.056 0 20 AEAD COc1cccc(Cl)c1[C@@H](C)O 118864586 BXEJSDIRLCRHNO-ZCFIWIBFSA-N 186.638 2.402 0 20 AEAD C[C@H]1CC[C@H](NCc2ccn(C)c2)C1 122056638 GJOAXAFHTWKVGU-JQWIXIFHSA-N 192.306 2.303 0 20 AEAD CC[C@@H](N[C@@H](C)c1ncc[nH]1)C1CC1 124702857 CUEJFGHEUPRFQC-WCBMZHEXSA-N 193.294 2.249 0 20 AEAD CC[C@@H](CCO)NC1CCCCCC1 125785977 UZWFPSOJMUSPDC-NSHDSACASA-N 199.338 2.460 0 20 AEAD C[C@H](O)CN[C@H]1C[C@H](C)CC(C)(C)C1 128201668 DCFQQLDFIVRPPI-DCAQKATOSA-N 199.338 2.172 0 20 AEAD CCCNC(=O)N[C@H]1CCCC1(C)C 129564277 LSTDZWATUIYLAM-VIFPVBQESA-N 198.310 2.274 0 20 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2.334 0 20 AEAD CCC[C@@H](C)OC(=O)C1=COCC1 393714797 LEAZDBOTILTRCG-MRVPVSSYSA-N 184.235 2.022 0 20 AEAD C[C@H]1CCCC[C@H]1CNCCCCN 394830049 NDRZVFGSULBOGK-RYUDHWBXSA-N 198.354 2.141 0 20 AEAD CCC(=O)Nc1cc(C)cc(O)c1 536952995 GLMMBYYGQZVJLW-UHFFFAOYSA-N 179.219 2.049 0 20 AEAD CCCOC(=O)CC1CC(F)(F)C1 584600401 KUAKSUDOZPASRK-UHFFFAOYSA-N 192.205 2.375 0 20 AEAD CC[C@@H](C)CN(C)Cc1cc(C)no1 600685290 YFWGZZBODKEHCP-SECBINFHSA-N 196.294 2.461 0 20 AEAD CSCc1cn(C2CCCC2)nn1 600970047 RREHHWCJRJHWPQ-UHFFFAOYSA-N 197.307 2.256 0 20 AEAD CCCN1CCCC[C@H]1[C@@H](O)CC 603821758 IDWHMWNEGNWFDN-QWRGUYRKSA-N 185.311 2.022 0 20 AEAD C[C@H]1CCCN(C(=O)C2CCC2)[C@@H]1C 607527773 YKKNZOGZYKJXOD-VHSXEESVSA-N 195.306 2.434 0 20 AEAD Cc1ncccc1NC(=O)CCCF 611747365 JIZSQEQVHKANNY-UHFFFAOYSA-N 196.225 2.078 0 20 AEAD C[C@H](N)CCNC1CCC2(CC1)CC2 622044700 PUHDKHQIHKMNQP-JTQLQIEISA-N 196.338 2.036 0 20 AEAD CCOC(C)(C)c1nc(C2CC2)no1 632024758 UBWOYSSNYJEZBZ-UHFFFAOYSA-N 196.250 2.219 0 20 AEAD 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2.091 0 20 AEAD CCCNC(=O)c1cccc(F)c1C 307013984 OQOJGQNJTDMOAU-UHFFFAOYSA-N 195.237 2.274 0 20 AEAD O=C(NCC1CCC1)c1ccsc1 307027307 ZVKFGRWHBHDNFI-UHFFFAOYSA-N 195.287 2.278 0 20 AEAD CCC1=NN([C@H](C)C(C)(C)C)C(=O)C1 307090761 QBXSVBPPXZEWGV-MRVPVSSYSA-N 196.294 2.419 0 20 AEAD Cc1cnccc1SCCF 307365444 JQAPYRBNYOCNQL-UHFFFAOYSA-N 171.240 2.452 0 20 AEAD C[C@H](c1nnc(C2CC2)o1)C1CC1 307511292 LEPGYDAVVJFDHQ-LURJTMIESA-N 178.235 2.461 0 20 AEAD Cc1nnc(N[C@H]2CC[C@H]2C)s1 307596404 MDXJGZKYQHKUHS-VDTYLAMSSA-N 183.280 2.057 0 20 AEAD C[C@@H](C(=O)NC1CCC1)C(C)(C)C 307675979 FASWOPPNIKNVNW-QMMMGPOBSA-N 183.295 2.337 0 20 AEAD Cc1oncc1NC[C@@H]1C[C@@H]1C 307696628 KUIWLIMRTQABII-XPUUQOCRSA-N 166.224 2.051 0 20 AEAD C[C@@H]1C[C@@H]1CNC1(C2CC2)CC1 307945234 IBZIHAOFEITXEI-RKDXNWHRSA-N 165.280 2.175 0 20 AEAD CC(C)(C)CCC(=O)NCCCF 308135428 DXMNTHAKSZPJOA-UHFFFAOYSA-N 189.274 2.289 0 20 AEAD CC(C)N(C(=O)[C@@H]1C[C@H]1C)C(C)C 308163790 WNNYZNATAWTSNU-NXEZZACHSA-N 183.295 2.288 0 20 AEAD C[C@@H](N(C)CCCCCO)C1(C)CC1 308425855 RYTGTYUOAKEBNI-LLVKDONJSA-N 199.338 2.269 0 20 AEAD CC[C@@](C)(CNC[C@@H]1CC1(C)C)OC 319474943 RHZFUIRWLWBYJJ-JQWIXIFHSA-N 199.338 2.437 0 20 AEAD CCC(=O)N[C@@H](C1CCC1)C1CC1 324885285 AJVMWCCDFRUCDQ-NSHDSACASA-N 181.279 2.091 0 20 AEAD CN[C@H](CC(C)C)CN1CCCCC1 328207822 VLWGPJPBIAEUJU-GFCCVEGCSA-N 198.354 2.106 0 20 AEAD CCC1(C(=O)N[C@@H]2CCC2(C)C)CC1 334168513 AYFUOYTWWCGUIN-SECBINFHSA-N 195.306 2.481 0 20 AEAD Cc1nc(C)n(CCC2CCCC2)n1 336112309 QBHOCMCNRGDXIN-UHFFFAOYSA-N 193.294 2.475 0 20 AEAD Cc1ccc(C(=O)NCCF)cc1C 336165674 OFGGYUXYCDPIQG-UHFFFAOYSA-N 195.237 2.003 0 20 AEAD CC[C@]1(C)CCCN(C(=O)N(C)C)C1 336359453 WARSUQYIHFLQEF-LLVKDONJSA-N 198.310 2.180 0 20 AEAD Cc1ccc(CCn2cccn2)cc1 336369144 DUXAWBRPUIYXFO-UHFFFAOYSA-N 186.258 2.434 0 20 AEAD COCCC1(CN[C@@H]2CC[C@H]2C)CC1 379529212 HYQJCLFPAVHXHL-GHMZBOCLSA-N 197.322 2.191 0 20 AEAD CC(C)OC(=O)CSCC1CC1 388465862 JBPJMKXKNCJTLU-UHFFFAOYSA-N 188.292 2.081 0 20 AEAD 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CC[C@@H](C)C(=O)N[C@H](C)c1ccc[nH]1 760732116 REISTLXKSLOEIO-RKDXNWHRSA-N 194.278 2.238 0 20 AEAD CCC(=O)CCN1CCC(C)=C(C)C1 796592799 IJYIXXVFUQLFOF-UHFFFAOYSA-N 195.306 2.398 0 20 AEAD CCC(CC)NC(=O)OC1CCC1 829635392 XJYAXMYHDJMWRQ-UHFFFAOYSA-N 185.267 2.454 0 20 AEAD Cl/C=C\CN1CC[C@@H]2C[C@@H]2C1 852636244 QUWLJPWXBFUEGQ-FYBVNBSYSA-N 171.671 2.081 0 20 AEAD C/C=C/C=C/C(=O)N[C@H](CC)C1CC1 855855856 HPGJACVLTDUVQL-MQLBMUFWSA-N 193.290 2.424 0 20 AEAD FC[C@H]1CCCN(CC2CCC2)C1 880232851 ROMPFCLLLZMKCU-LLVKDONJSA-N 185.286 2.468 0 20 AEAD CCC(C)(C)CC(=O)N1CC=CC1 910010897 YPEIJJYLVFCSNQ-UHFFFAOYSA-N 181.279 2.211 0 20 AEAD C1CCC2(C1)CC(N[C@H]1CCOC1)C2 925618160 UBRRPEUKMWLNFR-JTQLQIEISA-N 195.306 2.088 0 20 AEAD COCC[C@@H](C)N1C[C@H]2CCCC[C@H]21 1195835098 ZKGYBFXMWNDTBQ-IJLUTSLNSA-N 197.322 2.286 0 20 AEAD CCSCCOC(=O)[C@@H](F)CC 1263339766 SSTFIPMVIYAYAX-ZETCQYMHSA-N 194.271 2.031 0 20 AEAD Cc1nnc(-c2c(C)nsc2C)o1 1346623713 AGWPTXURYCAIDE-UHFFFAOYSA-N 195.247 2.118 0 20 AEAD 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187.327 2.389 0 20 AEAD C/C=C/C[C@H](CO)N[C@@H]1CC[C@@H]1CC 379577998 SHWNYODJBNCHAB-YJPKOGHISA-N 197.322 2.092 0 20 AEAD CC/C=C\CN[C@@H](C)c1ccnn1C 384880374 IHDCUKYQLDXYHS-OMMCCPJFSA-N 193.294 2.037 0 20 AEAD CC[C@H](CN[C@H](C(C)C)C1CC1)OC 393680280 XQOVDFZCAOEAIE-VXGBXAGGSA-N 199.338 2.436 0 20 AEAD CCC[C@@H](C)NCc1ccc(C)nn1 396614014 LBVVSRNLJAUQPV-SECBINFHSA-N 193.294 2.063 0 20 AEAD CC(C)=CCCNC(=O)NC(C)(C)C 397612406 CMZLHHQSIZPMSG-UHFFFAOYSA-N 198.310 2.440 0 20 AEAD CC(C)C1(NCC[C@H]2CCOC2)CC1 400677771 VHVHHTCJYKQGMT-NSHDSACASA-N 197.322 2.191 0 20 AEAD C[C@]1(CO)[C@@H](c2ccccc2)C1(F)F 409434224 VLHJPUMZGJRHGC-ZJUUUORDSA-N 198.212 2.418 0 20 AEAD C[C@@H]1CC[C@@]2(c3cccn3C)O[C@@H]2C1 536961377 ZXNPLAOMKMTFTO-JLLWLGSASA-N 191.274 2.439 0 20 AEAD CCCSCc1cc2n(n1)CCC2 593187674 QIXJUTNHHWZOAU-UHFFFAOYSA-N 196.319 2.473 0 20 AEAD CC[C@H](C)N(C)C[C@@H]1CCO[C@@H]1C 639528612 XXFMXDQULGHXDE-AXFHLTTASA-N 185.311 2.142 0 20 AEAD CCN(C(=O)[C@H]1C[C@@H]1C)C1CCCC1 642061369 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N[C@@H](CF)c1ccccc1Cl 107124683 LQXGKCUDBZAYNQ-QMMMGPOBSA-N 173.618 2.309 0 20 AEAD CCOCCOc1ccc(OC)cc1 115858204 YJUQPAROLABVNO-UHFFFAOYSA-N 196.246 2.111 0 20 AEAD CN1CCN(CCCC(C)(C)C)CC1 147866398 HZBWTNTVCQOKEN-UHFFFAOYSA-N 198.354 2.060 0 20 AEAD CCCc1nnc(C(C)(C)C)o1 149730386 VNAIMZKNKOYQFK-UHFFFAOYSA-N 168.240 2.320 0 20 AEAD CC(C)CN[C@@H](C)C1CCOCC1 166212149 RZYJLRSIVPXMDU-JTQLQIEISA-N 185.311 2.047 0 20 AEAD CC[C@H]1CC[C@@H](C)N1CC 204015968 KZLOAORCXSCJQR-BDAKNGLRSA-N 141.258 2.269 0 20 AEAD CC(C)c1cc(N2CCCC2)ncn1 205462207 ZRTXJXFXUZHUJW-UHFFFAOYSA-N 191.278 2.200 0 20 AEAD CC1(CNC[C@H]2CCC=CO2)CC1 219434205 ZOHYKOSBVQTFPC-SNVBAGLBSA-N 181.279 2.069 0 20 AEAD CCCCCCNC(=O)C(C)(F)F 222191935 YNVBHBGHWNWOJS-UHFFFAOYSA-N 193.237 2.338 0 20 AEAD CCCCCN1CCC[C@@](C)(O)CC1 230375703 LVXKZEIEVYQQHX-GFCCVEGCSA-N 199.338 2.414 0 20 AEAD CCSCCS[C@@H](C)[C@@H](C)O 231176264 COQMDKGIHRFOGE-SFYZADRCSA-N 194.365 2.242 0 20 AEAD CCC[C@H](CC)NC[C@H]1CCCCN1 233345532 OPCZNSGCBJYCDD-NWDGAFQWSA-N 198.354 2.297 0 20 AEAD C[C@@H]1CNc2nc(C(C)(C)C)cn2C1 235331716 LIMJFEXWCZRKJW-MRVPVSSYSA-N 193.294 2.242 0 20 AEAD CCCc1ccc2c(c1)CNC2 238246585 AAWXIKFUIAUMBJ-UHFFFAOYSA-N 161.248 2.242 0 20 AEAD C[C@@H]1CC[C@H](NCC(C)(C)O)C[C@H]1C 238853549 JZBPMTVKULHCPI-MXWKQRLJSA-N 199.338 2.172 0 20 AEAD CCN[C@@H]1[C@@H](C)CCC[C@H]1C 250651221 OZBGRLCYCDBCFL-MYJAWHEDSA-N 155.285 2.421 0 20 AEAD CC[C@@H]1C[C@H](C)CC[C@H]1NCCCO 252740641 ODXCANMOCCWPNV-IJLUTSLNSA-N 199.338 2.173 0 20 AEAD CC[C@H]1C[C@H](C)N[C@H](C)C1 306165102 HFQYTXYLIPSJDF-AYMMMOKOSA-N 141.258 2.173 0 20 AEAD CC[S@](=O)Cc1cccc(C)c1 306247942 XYXONIWYNLAOKK-LBPRGKRZSA-N 182.288 2.264 0 20 AEAD CC1=CC[C@H](NC[C@H]2CCCO2)CC1 306470699 QVWMBPVWXKCGSE-NWDGAFQWSA-N 195.306 2.254 0 20 AEAD c1nnc(SCC2CC2)s1 306544046 XMZNKUCLUGLVSH-UHFFFAOYSA-N 172.278 2.040 0 20 AEAD CC(C)=CCN1CCSCC1 306783466 GUSAEVIFPNGPMG-UHFFFAOYSA-N 171.309 2.001 0 20 AEAD C/C=C(/C)c1nnc(CC2CC2)o1 307144037 FROGEOZZIARLPV-CLTKARDFSA-N 178.235 2.445 0 20 AEAD 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186.638 2.402 0 20 AEAD in-vitro C[C@H](CC1CC1)N[C@H]1CCC[C@@H](N)C1 223016608 IBWGGOCDMUJKPY-JLLWLGSASA-N 196.338 2.035 0 20 AEAD C[C@@H]1C[C@H](NC[C@@H]2CC2(C)C)CCO1 223166265 ANOOTVUOBLLBDL-OUAUKWLOSA-N 197.322 2.190 0 20 AEAD C(CC1CC1)NC[C@H]1CCSC1 224437216 RBYFGHYWWMNNTC-SNVBAGLBSA-N 185.336 2.129 0 20 AEAD COCCN[C@@H]1CC[C@H](C)C[C@@H]1C 226177330 NYDKXSKELZUPBA-GARJFASQSA-N 185.311 2.047 0 20 AEAD C[C@H](O)C[C@H](C)N[C@H]1CCCC[C@@H]1C 252764811 PDWYWBRVOATVDW-BJDJZHNGSA-N 199.338 2.314 0 20 AEAD CO[C@@H](C)CNC[C@@H](C)CC(C)C 300992000 VSUMFNJIXFIVFP-QWRGUYRKSA-N 187.327 2.293 0 20 AEAD C[C@@H]1CC[C@@H](C)N1C[C@H]1CCCO1 306292860 WFIMCSZFXKJZTH-GMTAPVOTSA-N 183.295 2.038 0 20 AEAD CC(C)c1nnc(NCC2(C)CC2)o1 306304638 IDPDWEQZIAXDRJ-UHFFFAOYSA-N 195.266 2.405 0 20 AEAD CC(C)NC(=O)C(F)=C1CCCC1 306354323 IYCVRSGUWUBNTJ-UHFFFAOYSA-N 185.242 2.309 0 20 AEAD C[C@H]1OCC[C@@H]1SCC1CC1 306428886 NOPODERVEINFLA-APPZFPTMSA-N 172.293 2.307 0 20 AEAD C[C@H]1CCCN1CC1(C)CC1 306443469 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CC[C@@H](C)CN1CC[C@@H](C)C1 14593185 SHWYDOLCEPXLHO-NXEZZACHSA-N 155.285 2.374 0 20 AEAD CCCCNc1ccc(OC)nc1 19877947 MNJUOAWVLJOBRM-UHFFFAOYSA-N 180.251 2.302 0 20 AEAD COC(=O)NCc1cccc(Cl)c1 21310598 YUNHYRKCNDZWJQ-UHFFFAOYSA-N 199.637 2.196 0 20 AEAD C[C@H]1CCCC[C@H]1NCc1cc[nH]n1 36900067 XOPWCUZMAICGGB-GXSJLCMTSA-N 193.294 2.078 0 20 AEAD Cc1cccc([C@H](C)NC[C@@H](C)O)c1 37257798 FSFGSQQEDMFPKY-MNOVXSKESA-N 193.290 2.026 0 20 AEAD CCC(=O)OC[C@@H]1CC1(Cl)Cl 39241707 XVBFFRXLKCMRMQ-YFKPBYRVSA-N 197.061 2.133 0 20 AEAD CC(C)OCCNC[C@H]1CC=CCC1 45629541 CNHKVMOAZJSTID-LBPRGKRZSA-N 197.322 2.357 0 20 AEAD CCCCCN1CCCC[C@H]1CO 49750834 QFBYCYQYSRRUMB-NSHDSACASA-N 185.311 2.023 0 20 AEAD C[C@@H](CNC1CCCC1)N(C)C1CC1 53489429 CEQXIZHLUHZKQK-JTQLQIEISA-N 196.338 2.001 0 20 AEAD CC[C@@H](C)CN[C@H](C)c1cnn(C)c1 54469619 UBTYJFABSGAJKM-NXEZZACHSA-N 195.310 2.117 0 20 AEAD CCCCCNc1ccnc(C)n1 54935676 WSCZYJQZIKGZIP-UHFFFAOYSA-N 179.267 2.387 0 20 AEAD CC(C)c1cscn1 59033549 IYERPWBBOZARFV-UHFFFAOYSA-N 127.212 2.267 0 20 AEAD in-vitro CC[C@@H](C)[C@H](C)NCCSC 68995695 YDHGPYXHHGUISJ-BDAKNGLRSA-N 175.341 2.374 0 20 AEAD O=C(O)c1ccc(C2CCCC2)nc1 74272954 YZSICNRDDIFTGE-UHFFFAOYSA-N 191.230 2.437 0 20 AEAD Cc1ccc([C@H]2C[C@@H]2C(=O)O)cc1F 82503774 NBXOFJMFLAAEMZ-BDAKNGLRSA-N 194.205 2.322 0 20 AEAD CCc1nc(C)c(F)c(Cl)n1 85005801 OGYIPDXAQQKMJG-UHFFFAOYSA-N 174.606 2.140 0 20 AEAD CCCCCC(C)(C)CNC(=N)NC 87260108 MIMSBSNAQOKXII-UHFFFAOYSA-N 199.342 2.337 0 20 AEAD Cc1ccc([C@@H](N)CCO)cc1Cl 95638733 ZZZAVFSNDMGSOF-JTQLQIEISA-N 199.681 2.031 0 20 AEAD Clc1ccncc1OC1CC1 95720627 HQKYRAUJWPXHKO-UHFFFAOYSA-N 169.611 2.276 0 20 AEAD in-vitro CC[C@@H](C)N1N=C2CCCC[C@H]2C1=O 104709126 ZOKHABONMAFRGF-RKDXNWHRSA-N 194.278 2.173 0 20 AEAD C[C@H](O)CCN1CCC[C@@H]1C(C)(C)C 108311611 DVBWNOVUMWZZMA-WDEREUQCSA-N 199.338 2.268 0 20 AEAD CC(C)[C@@H]1CCCC[C@@H]1NC[C@@H](C)O 122025996 BYGTWJQVJQKMLO-WOPDTQHZSA-N 199.338 2.172 0 20 AEAD CCCC[C@H](CC)N[C@@H](C)CCO 122913091 BEXZFGGBSLJEFO-QWRGUYRKSA-N 187.327 2.316 0 20 AEAD CC(C)NC(=O)Nc1ccsc1 130724859 NEKYGYZDTJOCCU-UHFFFAOYSA-N 184.264 2.278 0 20 AEAD CC(C)CCN(CC(C)(C)O)C1CC1 131389270 LDTJMQBEMCBSNT-UHFFFAOYSA-N 199.338 2.268 0 20 AEAD CCCNC(=O)N(CCC)CCC 135787694 WBLPJEVFRKRWJI-UHFFFAOYSA-N 186.299 2.228 0 20 AEAD CC/C(C)=C\C(=O)OC(C)C 147991954 VMKAKMJYOVZPSI-VURMDHGXSA-N 156.225 2.294 0 20 AEAD CCC(=O)O[C@@H](C)CC(C)C 149897853 OHOHAFRZJYESCB-QMMMGPOBSA-N 158.241 2.374 0 20 AEAD C[C@H]1CCCC[C@H]1NCc1ccno1 219204512 AAUPRTYZUUQZBG-GXSJLCMTSA-N 194.278 2.343 0 20 AEAD CCCCOCCN1CC[C@@H](C)C1 219858420 LDRQRTFUWUIRHL-LLVKDONJSA-N 185.311 2.145 0 20 AEAD CC(C)(C)Cc1cc(=O)[nH]c(=S)[nH]1 231517764 HPZLLCFHBFROPX-UHFFFAOYSA-N 198.291 2.021 0 20 AEAD CCCCCN[C@@]1(C)CCO[C@@H]1C 232967293 IJKOAGJKIRRAQR-MNOVXSKESA-N 185.311 2.334 0 20 AEAD CCOC1CC(NCC=C(C)C)C1 233724305 HCWUZPJLGJZEEV-UHFFFAOYSA-N 183.295 2.110 0 20 AEAD CC[C@H](C)C[C@@H](C)NC(=O)C(F)F 234049322 HMYGWKQACDIHDP-NKWVEPMBSA-N 193.237 2.192 0 20 AEAD C[C@H](NCC(C)(C)C)c1ccnn1C 235508193 CUQUREZNQMVSNP-VIFPVBQESA-N 195.310 2.117 0 20 AEAD Oc1cc(C(F)F)cnc1Cl 238674087 ABTBMKLIWKMOKR-UHFFFAOYSA-N 179.553 2.378 0 20 AEAD COCc1nnc(C(C)=C(C)C)o1 306264740 ATNDTNXILJABPN-UHFFFAOYSA-N 182.223 2.029 0 20 AEAD CS/C=C/C(=O)N[C@H]1C=CCCC1 306425001 ISCKOFSHILGAFM-FLOXNTQESA-N 197.303 2.088 0 20 AEAD CCN1CCCC[C@H](C)C1 306440479 NSFAJBXQLNMGLF-VIFPVBQESA-N 141.258 2.128 0 20 AEAD CCN(C)[C@H]1C[C@](C)(OC)C1(C)C 306986464 OUVDXZYLVBIBRA-ONGXEEELSA-N 185.311 2.142 0 20 AEAD CCC(=O)N1CC(C)(C)C1(C)C 307139240 CKTWIQKLMOAVFK-UHFFFAOYSA-N 169.268 2.043 0 20 AEAD CSCS[C@@H]1CCCOC1 307255765 ZUQAMMHAGQJGJI-SSDOTTSWSA-N 178.322 2.219 0 20 AEAD CC(C)[C@@]1(C)C[C@@H]1Nc1nncs1 307467972 LRHOBYDHRJSXGY-IONNQARKSA-N 197.307 2.385 0 20 AEAD CC[C@@H](C)C(=O)N1CC[C@@H]1C(C)C 308296865 KKILIOGZLPMBJZ-NXEZZACHSA-N 183.295 2.289 0 20 AEAD CN(CCCF)CCOC(C)(C)C 308377619 SZXQWNBRNTXKLJ-UHFFFAOYSA-N 191.290 2.093 0 20 AEAD CCN(C)C(=O)/C=C\c1cccs1 308385292 WOLRMFBVQJXXLO-SREVYHEPSA-N 195.287 2.240 0 20 AEAD C/C=C\C[C@H](CO)N[C@H](C)CCC 308388637 YMTMQXBRVSHRRR-DPIUTZRQSA-N 185.311 2.092 0 20 AEAD CC[C@H](NCC1CC1)[C@@H]1C[C@@H]1C 322067529 RYFNRTVULODBMK-GDPRMGEGSA-N 167.296 2.421 0 20 AEAD CCC[C@H](N[C@@H](C)[C@@H](C)O)C1CCC1 322587096 VPSPYGCSYMFIQW-UMNHJUIQSA-N 199.338 2.314 0 20 AEAD CC(C)(O)CSC1CCC1 335231391 KXFLWFQXOGHIBG-UHFFFAOYSA-N 160.282 2.043 0 20 AEAD CCc1ccc(CN2CC[C@H](F)C2)o1 335409573 MBEGKOFWTDQCPZ-VIFPVBQESA-N 197.253 2.386 0 20 AEAD Cc1oncc1CN1C[C@H](C)C[C@@H]1C 335739912 NCLDEIOXXIWMKK-BDAKNGLRSA-N 194.278 2.213 0 20 AEAD C[C@H]1CN(C[C@H]2CC=CCC2)CCO1 335814745 BXPHUNOFQHPYTA-RYUDHWBXSA-N 195.306 2.063 0 20 AEAD CC[C@@H]1CCCN(C(=O)CC2CC2)C1 335936487 FCXTYOCIOMSMIP-SNVBAGLBSA-N 195.306 2.435 0 20 AEAD N=C(O)CCN1CC2(CCCCC2)C1 336003991 IIKBOKBGBOCBRV-UHFFFAOYSA-N 196.294 2.178 0 20 AEAD CC[C@]1(C)CCN(Cc2ccno2)C1 336048754 BPINWBLFDGYWGK-LLVKDONJSA-N 194.278 2.297 0 20 AEAD CCCCNC(=O)N1CC[C@@H](C)[C@H]1C 336351237 JYHKYKJCPKNYPK-NXEZZACHSA-N 198.310 2.226 0 20 AEAD CC[C@H](C)CCc1nc(C)no1 349603401 KWGFJMBPJZWYGL-ZETCQYMHSA-N 168.240 2.357 0 20 AEAD CCC[C@H](OC)c1noc(C2CC2)n1 351201780 OWXBQBLTGAWGOL-QMMMGPOBSA-N 196.250 2.435 0 20 AEAD CCC(CC)N(CC)C(=O)OC 379338109 CWOQKJDXLOLPEE-UHFFFAOYSA-N 173.256 2.263 0 20 AEAD C[C@@H]1C[C@H]1CNCC1CCSCC1 379387405 HGVCIGATONVSSP-KOLCDFICSA-N 199.363 2.375 0 20 AEAD C[C@H](CF)N[C@H](C)c1ccccn1 379419238 XRDRQBKUZDFWHS-RKDXNWHRSA-N 182.242 2.090 0 20 AEAD CC[C@H](CO)N[C@@H]1CCC12CCCC2 379541192 PQKBKBIPQUEWHP-GHMZBOCLSA-N 197.322 2.070 0 20 AEAD C[C@@H]1CC[C@H]1NCCc1ccncc1 379541418 QCAMUNGYNCSMAQ-ZYHUDNBSSA-N 190.290 2.012 0 20 AEAD CCCCN[C@@H]1[C@@H](C)[C@H](OC)C1(C)C 379541728 QIPCGQWUHJYNGD-MXWKQRLJSA-N 199.338 2.436 0 20 AEAD Cc1cc(CNCCCC(C)C)n[nH]1 379664745 VFQCDKUGRVQRGX-UHFFFAOYSA-N 195.310 2.244 0 20 AEAD CC[C@H](N[C@@H](C)CC(C)C)[C@@H](C)O 386657180 CUIJHXVAYGXZIR-AXFHLTTASA-N 187.327 2.170 0 20 AEAD C[C@H]1C[C@H]1C(=O)OC[Si](C)(C)C 388435907 PXIZGUICLIKAMS-JGVFFNPUSA-N 186.327 2.063 0 20 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CCC[C@@H](CC)N[C@@H](C)[C@H]1CCCN1 643468668 HFHPFOOQSRMMCU-QJPTWQEYSA-N 198.354 2.295 0 20 AEAD CCCCCN1CCN(C)C[C@@H]1CC 647954057 RTRXJAXZTQGPGW-LBPRGKRZSA-N 198.354 2.203 0 20 AEAD CN(CCCCF)Cc1ccccn1 649893096 ZAWMPKQRFCVHSS-UHFFFAOYSA-N 196.269 2.263 0 20 AEAD CCC(CC)CN[C@H](C)C1(CO)CC1 657603991 SVSJPJIODYSSHJ-SNVBAGLBSA-N 199.338 2.173 0 20 AEAD C[C@@H]1O[C@H](C)C[C@@H]1N[C@@]1(C)CC1(C)C 657760852 AJLQYKMYMFDSGI-WDCWCFNPSA-N 197.322 2.331 0 20 AEAD CC(C)CC1(N[C@@H]2CO[C@@H](C)C2)CC1 657773997 AFVISPUHCMVFDC-QWRGUYRKSA-N 197.322 2.332 0 20 AEAD CCN1CCCN(CC(C)C)[C@H](C)C1 660793841 YIJJPVTULBYDNU-GFCCVEGCSA-N 198.354 2.059 0 20 AEAD CO[C@@]1(C)C[C@H]1Nc1ncc(C)s1 664604163 VAMJJXATSCVVLD-APPZFPTMSA-N 198.291 2.041 0 20 AEAD C[C@@H]1C[C@@H](CNC2CCCC2)[C@@H](C)O1 666218771 INZNTNLQHRASOJ-MXWKQRLJSA-N 197.322 2.332 0 20 AEAD CCNCCN[C@@H](C)C1CCCCC1 666782365 ZVYYWOOYAINLFS-NSHDSACASA-N 198.354 2.154 0 20 AEAD CCOC[C@@H]1CCN(CC(C)C)C1 673914964 JRRHOXWRRDWLPA-LLVKDONJSA-N 185.311 2.001 0 20 AEAD CO[C@H](C)CN1CCC[C@@H](C(C)C)C1 682042697 VGZYBUHCTWVSMO-VXGBXAGGSA-N 199.338 2.389 0 20 AEAD CC[C@H]1COC[C@@H]1NC1CCCCC1 699464543 ACSSGCYTLRITIL-JQWIXIFHSA-N 197.322 2.334 0 20 AEAD C=C/C=C\CCN(C)[C@@H](C)C(C)(C)O 713639754 LARVIMPEZIFNBO-TVRMLOFPSA-N 197.322 2.210 0 20 AEAD C=C/C=C/CCN[C@@H](C)CCCCO 713679731 ATOOQGJRFSIEOK-ITKZLYELSA-N 197.322 2.259 0 20 AEAD O=C(O)C1CC(C[C@@H]2CCCCO2)C1 716246158 GDHBINWPEKEFKH-RTBKNWGFSA-N 198.262 2.056 0 20 AEAD O=C(Oc1cccc(F)c1F)C1CC1 727795113 QLDVFYPIVNHZCA-UHFFFAOYSA-N 198.168 2.280 0 20 AEAD CC1(CNC(=O)C2(F)CCCC2)CC1 772132392 MKRASQMVDZKJLQ-UHFFFAOYSA-N 199.269 2.185 0 20 AEAD CCOCCN(C)CCCC1CC1 813337089 MKLJQHDNLNGJMI-UHFFFAOYSA-N 185.311 2.145 0 20 AEAD C[C@H](N)CCNC1CCCCCCC1 841035668 LQBMSTNUTJHZJG-NSHDSACASA-N 198.354 2.426 0 20 AEAD CCCONC(=O)[C@H]1CCCC[C@@H]1C 844090083 FTPUQJFHPJZTNY-UWVGGRQHSA-N 199.294 2.271 0 20 AEAD C[C@@H]1CC[C@@H](C(=O)N[C@@H]2C=CCC2)C1 855429791 OYTHWRGDOVXEEY-GMTAPVOTSA-N 193.290 2.257 0 20 AEAD N=C(NOCCCCF)C1CCC1 871765682 HSPQSPAETNWJHN-UHFFFAOYSA-N 188.246 2.035 0 20 AEAD CCC1CN(C[C@@H](OC)[C@@H](C)CC)C1 877579405 RHCUUEZYKLPDQB-CMPLNLGQSA-N 199.338 2.389 0 20 AEAD C=C/C=C/CCOCc1ncc[nH]1 877884030 QDAQXTNDRGDJRE-ONEGZZNKSA-N 178.235 2.059 0 20 AEAD C/C(Cl)=C\C(=O)N1CCCCC1 899905325 VPNWCEOGZSGRIP-BQYQJAHWSA-N 187.670 2.142 0 20 AEAD C[C@@H]1C[C@@H]1CNC(=O)CCC1(C)CC1 930243331 JTZZBRVFNINEGS-NXEZZACHSA-N 195.306 2.339 0 20 AEAD CCc1nnc([C@H](C)CCCOC)o1 1261567659 UHCRJCILHSRYTH-MRVPVSSYSA-N 198.266 2.162 0 20 AEAD CO[C@@H](c1nnc(C2CC2)o1)C(C)C 1349957156 VVSHUKRRTGBPIB-MRVPVSSYSA-N 196.250 2.291 0 20 AEAD CC[C@@H](C)[C@H](C)N1[C@H]2CC[C@H]1COC2 1653838952 PYOYVKCJXZIUJE-RHYQMDGZSA-N 197.322 2.284 0 20 AEAD COCCN[C@H](C)c1cc(C)oc1C 20437360 MOMXHUPQVRZZLX-SECBINFHSA-N 197.278 2.193 0 20 AEAD CCc1nc(-c2ccc(O)cc2)no1 34956125 BXBJIGTWHSHWEE-UHFFFAOYSA-N 190.202 2.005 0 20 AEAD CC(C)[C@@H](C)NCCc1ccco1 35661675 CAFOTANHNYVXSY-SNVBAGLBSA-N 181.279 2.456 0 20 AEAD 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DCNRPSUXMOEPSJ-GHMZBOCLSA-N 185.311 2.143 0 20 AEAD CC1=CCN(c2ccncc2F)CC1 641462176 PZKZPAQMYONWGV-UHFFFAOYSA-N 192.237 2.377 0 20 AEAD CC[C@H](N)CN[C@H](C)c1cccs1 643540305 STORUALIGQFJAM-BDAKNGLRSA-N 198.335 2.136 0 20 AEAD CC[C@H](N)CN[C@H](CC)C1CCCC1 643540712 DPMCCFZTJNIZLB-NWDGAFQWSA-N 198.354 2.282 0 20 AEAD CCC[C@@H](O)CN1CCC2(CC1)CC2 649399946 BQUXGMSMYDLNRY-LLVKDONJSA-N 197.322 2.023 0 20 AEAD CC[C@@H](C)C(=O)NC[C@@H]1C[C@H]1CC 650961952 HQULJZWJDNPNMG-BBBLOLIVSA-N 183.295 2.195 0 20 AEAD CC[C@H](C)[C@H](C)N[C@@H]1C[C@]1(C)OC 658334054 BTZGMVIOINGODG-MMWGEVLESA-N 185.311 2.188 0 20 AEAD C[C@@H]1CCN([C@H]2COC(C)(C)C2)[C@@H]1C 659984109 CFJUQDHVPYAQRX-GMTAPVOTSA-N 197.322 2.284 0 20 AEAD CC[C@H](C)NCC[C@@H]1C[C@H]2CC[C@H]1O2 666156094 KKNDVXGIRTTXBM-IRCOFANPSA-N 197.322 2.332 0 20 AEAD CCCN(CC)Cc1ccnn1CC 678118680 VJJBVSCXFAHBDW-UHFFFAOYSA-N 195.310 2.135 0 20 AEAD CCC(CC)CN1CC[C@@H](COC)C1 678260843 OULWWXMCJPWOTL-GFCCVEGCSA-N 199.338 2.391 0 20 AEAD C[C@H]1CC[C@@H](C(=O)NC2CC=CC2)C1 678951549 QQCPTTZXUTXYFO-VHSXEESVSA-N 193.290 2.257 0 20 AEAD C[C@H]1CC[C@@H](C)N1C[C@H]1CC[C@@H](C)O1 682760863 RZCRVCBCSKORID-WRWGMCAJSA-N 197.322 2.427 0 20 AEAD CCCCN1C[C@@H](C)O[C@H](C2CC2)C1 684206661 MBSJQVBVRQEYPN-PWSUYJOCSA-N 197.322 2.286 0 20 AEAD C[C@H]1CC[C@@H](C)N1CCCCCCO 692999829 LQGBZIMMGKSBLQ-TXEJJXNPSA-N 199.338 2.412 0 20 AEAD COC(=O)NCc1cc(C)cc(C)c1 693191589 LYMAQZWUKKKJTP-UHFFFAOYSA-N 193.246 2.159 0 20 AEAD CCNCC1(F)CCCCC1 716319023 KKCCHXIYTKYLEC-UHFFFAOYSA-N 159.248 2.268 0 20 AEAD Cc1coc(C(=O)NOC(C)(C)C)c1 718423680 WHCARUHPRPRSBI-UHFFFAOYSA-N 197.234 2.048 0 20 AEAD C/C(=C\C(=O)NC1CC=CC1)C1CC1 760033584 RHLLPBYBEHCJAV-CMDGGOBGSA-N 191.274 2.178 0 20 AEAD Cc1c[nH]cc1C(=O)O[C@@H]1C=CCC1 780553138 KBAZZNXSQVLDPY-SECBINFHSA-N 191.230 2.199 0 20 AEAD C/C=C/C(=O)N1CCC[C@@H](C2CC2)C1 813846606 MFVHJKZJFRKWJB-JRBALWBOSA-N 193.290 2.211 0 20 AEAD CC/C=C(/C)C(=O)NOC[C@H](C)CC 816979743 WFAKNLDXTIVWOP-SBMLRHLQSA-N 199.294 2.437 0 20 AEAD CCC1(C)CCC(N[C@@H](C)CN)CC1 841065847 IASDKXJYXUBBHB-UNXYVOJBSA-N 198.354 2.282 0 20 AEAD CN(CC(C)(C)C)C(=O)OCCF 858935061 JTBDMOJWYNMHMG-UHFFFAOYSA-N 191.246 2.070 0 20 AEAD C=C/C=C\CCNC(=O)[C@H](F)C(C)C 881568395 PLUMPBYATHVSBF-WWQCOOJYSA-N 199.269 2.229 0 20 AEAD CC1CC(CN[C@]2(C)CCO[C@H]2C)C1 885880225 RVEFACREXKAGRH-POSLAHMBSA-N 197.322 2.190 0 20 AEAD O=C(C=C1CCCC1)NC/C=C/Cl 891217051 VHZURKDVASQGEP-ZZXKWVIFSA-N 199.681 2.356 0 20 AEAD Cc1ccc(COC(=O)CCF)cc1 892573027 GPDAUSDNLAMWBV-UHFFFAOYSA-N 196.221 2.398 0 20 AEAD Cc1ncoc1CN1CC(C(C)C)C1 894597946 TXBXJAJILKJLAV-UHFFFAOYSA-N 194.278 2.071 0 20 AEAD CC1CC(CN2CCOC(C)(C)C2)C1 929118332 KLOIOTQDCDBGOC-UHFFFAOYSA-N 197.322 2.143 0 20 AEAD CC[C@@H](CO)N1CCC[C@@H](CC)CC1 929666665 DBDPAWVQYSWINL-NEPJUHHUSA-N 199.338 2.269 0 20 AEAD C[C@H]1CCCN(CCOC2CC2)[C@@H]1C 929705864 ZTWZYTVEPAJWBQ-WDEREUQCSA-N 197.322 2.286 0 20 AEAD C/C=C/C=C\C(=O)NC/C=C/C1CC1 1324369597 FAEWENKWGGTKAH-GDKXAQPSSA-N 191.274 2.201 0 20 AEAD CC1(CC(=O)N[C@H]2CC23CCC3)CC1 1329916823 REYQNQXUMOWQEJ-VIFPVBQESA-N 193.290 2.235 0 20 AEAD COCc1nnc(C(C)=C2CCC2)o1 1330101203 TWVSCAADOOFJCJ-UHFFFAOYSA-N 194.234 2.173 0 20 AEAD CC(C)Cc1ncnc(Cl)c1F 1881002809 UTNHIEHIBHGXAC-UHFFFAOYSA-N 188.633 2.468 0 20 AEAD Clc1cccc2c1CCNCC2 6093763 KGJFKHNSLOSGMN-UHFFFAOYSA-N 181.666 2.028 0 20 AEAD Cc1noc(C)c1CNCC(C)C 20252810 JYZDERMLGOVMJF-UHFFFAOYSA-N 182.267 2.037 0 20 AEAD CCOC(=O)[C@@H]1CCCCCC(=O)C1 34619055 UTIKDLPBZGUFSE-SECBINFHSA-N 198.262 2.089 0 20 AEAD CC[C@@H](C)S[C@H](C)C(C)=O 35182639 UTHOIDZTKUBNPC-HTRCEHHLSA-N 160.282 2.496 0 20 AEAD C[C@@](CO)(NC1CCCCC1)C1CC1 38111191 PTZNELSVZFEFRR-LBPRGKRZSA-N 197.322 2.070 0 20 AEAD O=C(O)CCCSc1ccncc1 39117100 MIJQGQHJUNSPII-UHFFFAOYSA-N 197.259 2.039 0 20 AEAD CC(C)(N)CCc1ccc(O)cc1 39370233 MEFFMMAWFPKWRE-UHFFFAOYSA-N 179.263 2.062 0 20 AEAD CCCC[C@H](CC)N[C@H]1CCN(C)C1 68987018 NYGYXTUJFTXPPO-RYUDHWBXSA-N 198.354 2.249 0 20 AEAD CCC(=O)N(C)[C@H]1CCCC[C@@H]1C 70225774 YMAHAAXWGGVAKF-UWVGGRQHSA-N 183.295 2.434 0 20 AEAD CC[C@@H](COC)N[C@@H](CC)C(C)C 70624253 WZAADIUVQIINDI-QWRGUYRKSA-N 187.327 2.436 0 20 AEAD CC[C@@H](C)c1nc([C@H]2CCCN2)no1 70947051 ABQYXJIUWVOXBA-HTQZYQBOSA-N 195.266 2.008 0 20 AEAD O=C[C@@H]1CCc2ccccc2S1 80209505 FCXZJNSPPNTCBZ-VIFPVBQESA-N 178.256 2.292 0 20 AEAD Cc1ccc2snc(CN)c2c1 82870708 UEGXKRIETWZUPX-UHFFFAOYSA-N 178.260 2.063 0 20 AEAD CC(C)C[C@H](N)c1cscn1 83271553 FYDPOQMNBPHNGS-ZETCQYMHSA-N 170.281 2.189 0 20 AEAD CC(C)SCC1(O)CCCC1 83588381 XUBKUUHWPGHWSD-UHFFFAOYSA-N 174.309 2.433 0 20 AEAD CC[C@H](C)C[C@@H](C)NC[C@H](O)CC 83864717 QFHALBBSVDJBIQ-HBNTYKKESA-N 187.327 2.172 0 20 AEAD CC1(C)C[C@@H](NCCC2CC2)CCO1 83893402 MAEJKEVDDYEJBF-NSHDSACASA-N 197.322 2.334 0 20 AEAD CC[C@H](CO)NCC1CCCCCC1 84328381 NOKWXIDCFNBBTK-GFCCVEGCSA-N 199.338 2.317 0 20 AEAD CC(C)N(C)C(=O)OC(C)(C)C 84725842 KIBNOUXOGRLBQB-UHFFFAOYSA-N 173.256 2.262 0 20 AEAD C[C@@H]1C(=O)N[C@H]1c1cccc(Cl)c1 85526999 RTDNQSJKKJYHRQ-IMTBSYHQSA-N 195.649 2.147 0 20 AEAD CC[C@](C)(O)CN[C@H](C)c1ccoc1 87290403 HJCNYTLMYAWQMD-KOLCDFICSA-N 197.278 2.091 0 20 AEAD Cc1c(Cl)cccc1[S@](=O)O 95483764 LAGLZZCNZUDCNK-UHFFFAOYSA-N 190.651 2.229 0 20 AEAD CCCCN1N=C(C)[C@@H](CC)C1=O 105775978 UQIVGBYMWSPPEL-SECBINFHSA-N 182.267 2.031 0 20 AEAD Cc1ccc2c(c1)C[C@@H](C=O)CC2 108368701 QHKBHNIONMQOLV-JTQLQIEISA-N 174.243 2.299 0 20 AEAD C[C@@H]1C[C@@H]1CNC[C@@H]1C[C@H]2C=C[C@H]1C2 129916592 IQABHECHBIIEJL-SJHCENCUSA-N 191.318 2.444 0 20 AEAD CCCCCN[C@@H](C)[C@H]1CCOC1 132028853 JAFSBIPHQRPCLR-QWRGUYRKSA-N 185.311 2.191 0 20 AEAD CC[C@H](NC[C@@H](O)C(C)C)C(C)C 133744567 FVYDIEROMQUZGH-WDEREUQCSA-N 187.327 2.028 0 20 AEAD CCNC(=O)N[C@H](C)c1ccccc1 135726776 MHLCAEJNLFIMGX-SECBINFHSA-N 192.262 2.067 0 20 AEAD C[C@H]1CCn2cc(C3CC3)nc2C1 135888940 HLGFCDVKHSJQTK-QMMMGPOBSA-N 176.263 2.343 0 20 AEAD CCCc1nnc(C2CCC2)o1 147117000 OHGFVFHJPKMJDP-UHFFFAOYSA-N 166.224 2.290 0 20 AEAD CCOC[C@@H](C)NCCC1CCC1 161875058 SUKHZOFUNHLEHH-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD O=C(C1CCCCC1)N1CCCCO1 164375060 KLKHZBNLAHEJCN-UHFFFAOYSA-N 197.278 2.121 0 20 AEAD COCCCCCN[C@@H](C)C1CC1 165279542 DOMNJJQWWJSOKK-JTQLQIEISA-N 185.311 2.191 0 20 AEAD CC[C@H](C)[C@@](C)(O)CN[C@@H](C)C1CC1 165319208 WNEWMFQRGPOHCJ-NHCYSSNCSA-N 199.338 2.172 0 20 AEAD CCCCC(=O)N(C)[C@@H](C)CC 200655354 GNJHYSDXKONMBW-VIFPVBQESA-N 171.284 2.434 0 20 AEAD CC(C)Cc1csc(N(C)C)n1 200662389 VGADVNXGDXISGB-UHFFFAOYSA-N 184.308 2.408 0 20 AEAD CC(C)(C)C(=O)[C@@H]1CCCC[C@@H]1N 202315043 QDHVPCFGDGPHKN-BDAKNGLRSA-N 183.295 2.119 0 20 AEAD CC(C)CCCN[C@H]1CCOC[C@@H]1C 205260051 VYIQDVGFIIVABT-RYUDHWBXSA-N 199.338 2.437 0 20 AEAD Cc1ccc(COC(=O)C2CC2)cc1 221910082 SOJPLRJZPIMOKT-UHFFFAOYSA-N 190.242 2.448 0 20 AEAD CO[C@@H]1C[C@@H](N[C@@H](C)C2CC2)C1(C)C 224533212 JUJATYCCIXWNKR-JMJZKYOTSA-N 197.322 2.188 0 20 AEAD CCOCCCNc1ccnc(F)c1 227640077 LGZSYPRMIGFMAF-UHFFFAOYSA-N 198.241 2.059 0 20 AEAD Cc1sccc1[C@@H](F)C(=O)O 227850653 GEKWNHXLKYKNCQ-ZCFIWIBFSA-N 174.196 2.152 0 20 AEAD CCC(=O)CCCN1CCC[C@H]1C 232857038 UZOSYHUMCGTEAX-SNVBAGLBSA-N 183.295 2.230 0 20 AEAD CCc1cnn2c1NC[C@@H](C)[C@H]2CC 233930536 FFJQJYLKLXBUGN-PSASIEDQSA-N 193.294 2.458 0 20 AEAD O=C(OC1CCCC1)N1CCCCO1 306488117 KJRZZOXMMSPWSP-UHFFFAOYSA-N 199.250 2.093 0 20 AEAD CC[C@@H](F)CN1CCC12CCC2 306533657 NQKWARNSVWDFEV-SECBINFHSA-N 171.259 2.363 0 20 AEAD CC[C@@H]1CO[C@H](C)CN1CC(C)C 306706618 JBYRBWDRGBJRSQ-GHMZBOCLSA-N 185.311 2.142 0 20 AEAD C[C@]1(F)CCN(C2CCCC2)C1 306950080 XVWZJJFLFIQCSG-JTQLQIEISA-N 171.259 2.363 0 20 AEAD Cc1csc(NC(=O)[C@H]2C[C@H]2C)n1 306997573 WRUOWWNCVUYARR-VDTYLAMSSA-N 196.275 2.046 0 20 AEAD C[C@H]1C[C@@H]1c1nc(CC2CC2)no1 307325191 LDIDMHIRUMSHIF-XPUUQOCRSA-N 178.235 2.146 0 20 AEAD C[C@@H]1CN(C[C@@H]2CCSC2)C[C@@H]1C 307370248 RTBRKTAMBZYVFM-AXFHLTTASA-N 199.363 2.327 0 20 AEAD C[C@@H]1CCCCN(C(=O)C2CC2)C1 307545187 XFMBHJPBIGBOEM-SECBINFHSA-N 181.279 2.045 0 20 AEAD CC1CC(N[C@@H]2CSC[C@H]2C)C1 307649149 HXXYYAKKZJZYRP-QLVNRRSVSA-N 185.336 2.126 0 20 AEAD CC[C@@H]1CCC[C@H]1NCCF 307760967 XQDQYCNMXDFJPN-RKDXNWHRSA-N 159.248 2.124 0 20 AEAD CCCCC(=O)OCCSC 307856930 DAORSVUSTUIJLK-UHFFFAOYSA-N 176.281 2.083 0 20 AEAD CC[C@@H]1CC[C@@H]1N[C@H](C)[C@@H](C)OC 308196594 RKAAVXOMRBSPBM-DBIOUOCHSA-N 185.311 2.188 0 20 AEAD CC[C@H](C)[C@H](C)N(C)CC[C@H](C)O 308288452 FOMXIOYGDSDVCN-DCAQKATOSA-N 187.327 2.124 0 20 AEAD CCC(CC)NCCC1(O)CCC1 308322633 ZPELWPYNDQFYRO-UHFFFAOYSA-N 185.311 2.070 0 20 AEAD O=C(CCC1CCCC1)OCCF 308403739 KDNSBISOKWTFFE-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD Cc1c[nH]nc1CNCCCC(C)C 308554419 YRUYDORNDHBRCB-UHFFFAOYSA-N 195.310 2.244 0 20 AEAD COCCC(C)(C)CNC[C@H]1C[C@@H]1C 308577137 DWLHOUSAHYGPNM-WDEREUQCSA-N 199.338 2.295 0 20 AEAD CC1=CCN(C[C@H]2CCCCO2)CC1 334273695 ZQHYONNDIQQSRT-GFCCVEGCSA-N 195.306 2.208 0 20 AEAD C[C@@H](C(=O)N(C)C)c1ccccc1F 334673636 SHVNCVNGSFOWNQ-MRVPVSSYSA-N 195.237 2.017 0 20 AEAD CC1(CN[C@H]2CCCCC[C@@H]2N)CC1 335032498 LOWXCNWNWGKPEG-QWRGUYRKSA-N 196.338 2.036 0 20 AEAD C[C@@H](C(=O)N(C)C(C)(C)C)C1CC1 335431956 YEFNCLYRIDMGML-MRVPVSSYSA-N 183.295 2.289 0 20 AEAD CC[C@@H]1[C@@H](C)CCN1Cc1cc[nH]n1 335680493 TVNFYICWKRTRHM-GXSJLCMTSA-N 193.294 2.030 0 20 AEAD CC1(C)CCC[C@H]1C(=O)NC1CCC1 336487093 PICBOYNDUHESEX-JTQLQIEISA-N 195.306 2.481 0 20 AEAD CCc1nc(C)c(C(C)=NOC)s1 379388465 JKKSBYKWMKBPKX-UHFFFAOYSA-N 198.291 2.384 0 20 AEAD CCN(CC)C[C@@H](C)NCC1(C)CC1 379540416 OSISTXARKUTXCO-LLVKDONJSA-N 198.354 2.106 0 20 AEAD C1=CCC(NCCC2CCOCC2)C1 379618873 BYHYNYZAYXFQRG-UHFFFAOYSA-N 195.306 2.111 0 20 AEAD CCCNC(=O)NCC1=CCCCC1 379901118 HPXFOACCCDFWBN-UHFFFAOYSA-N 196.294 2.196 0 20 AEAD C=CC(=O)NCC1(CCC)CCC1 391830895 RZAXZPIKZSZCFE-UHFFFAOYSA-N 181.279 2.259 0 20 AEAD CCCC1(CNC(=O)NCC)CCC1 392087888 HUCZTRFUAIHARP-UHFFFAOYSA-N 198.310 2.276 0 20 AEAD CC[C@@H]1CC[C@H]1NC[C@H](OC)C1CC1 393473882 LGRRPZIJGBVNSP-JLLWLGSASA-N 197.322 2.190 0 20 AEAD CC[C@H](C[C@H](C)CO)N[C@H]1CC[C@@H]1C 393686823 DRJYTIYUTRUSKN-YFKTTZPYSA-N 199.338 2.172 0 20 AEAD C[C@H](CC1CCC1)N[C@@H]1CO[C@H](C)C1 402062550 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C[C@H](NC/C=C/Cl)c1cccnc1 228571320 GUIPWRNCUDIEST-SGRBOOSSSA-N 196.681 2.485 0 20 AEAD CCC(CC)CNCC[C@H]1CCOC1 230164000 LCAICNFPVYWOIB-LBPRGKRZSA-N 199.338 2.439 0 20 AEAD CCc1nccn1C[C@H]1CC[C@H](C)O1 232048261 RVTNYHNTBYFBIV-VHSXEESVSA-N 194.278 2.013 0 20 AEAD CCN(C)C(=O)N[C@H]1CC[C@H](C)CC1 252969289 VZNMSVOULQBKPP-MGCOHNPYSA-N 198.310 2.226 0 20 AEAD CO[C@@H]1C[C@@H](N[C@H](C)C(C)C)C1(C)C 300358012 ALOVNGKLRYPWRY-GMTAPVOTSA-N 199.338 2.434 0 20 AEAD CC(C)CC(=O)N1CCC[C@@H]2C[C@@H]21 306307305 KATHUFLDOAUFAJ-ZJUUUORDSA-N 181.279 2.043 0 20 AEAD C[C@@H]1C[C@H](NC2CC(C)(C)C2)CCO1 306360503 MRDDNPMYSADIPF-NXEZZACHSA-N 197.322 2.332 0 20 AEAD C[C@H]1CCN(CCCF)[C@@H]1C 306382282 ASDCRYGBTFEGQF-DTWKUNHWSA-N 159.248 2.076 0 20 AEAD C[C@H]1CC/C(=C\C(=O)NC2CC2)C1 306562043 UCOHKGLPSQXODT-INTFFVIUSA-N 179.263 2.011 0 20 AEAD CC(C)c1noc(NCC2(C)CC2)n1 306750881 JOJVTWHLTFAWSW-UHFFFAOYSA-N 195.266 2.405 0 20 AEAD C[C@@H]1C[C@H]1CN[C@@H]1CCC1(C)C 306768784 ZNPYCCCCHIDSSZ-KXUCPTDWSA-N 167.296 2.421 0 20 AEAD COC(=O)N1C[C@@H](C)CCC[C@@H]1C 307159668 JMBDYIXIJKHYOH-IUCAKERBSA-N 185.267 2.263 0 20 AEAD C[C@@H]1CC[C@@H]1NCC(C)(C)C 307167453 RQRNAWRFIDUWHJ-BDAKNGLRSA-N 155.285 2.421 0 20 AEAD Cc1nnc(S[C@@H]2C=CCCC2)[nH]1 307503383 WEGCPYJOPHSZNV-MRVPVSSYSA-N 195.291 2.314 0 20 AEAD Cc1ccnc(N[C@H]2CCC2(C)C)n1 307731889 KUTYYUVSWWLPQR-VIFPVBQESA-N 191.278 2.386 0 20 AEAD CC(C)[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1C 308134830 DNNVYXAEJQJPJA-LPEHRKFASA-N 183.295 2.145 0 20 AEAD CC(C)(C(=O)OCC1CC1)C(F)F 308162291 VVAYMVGYUBKKCY-UHFFFAOYSA-N 192.205 2.231 0 20 AEAD CO[C@@H](C)CCC(=O)OCC(C)C 308301821 LBYQGUFZMRKTOI-VIFPVBQESA-N 188.267 2.001 0 20 AEAD CCCCN(CC)c1nc(C)ns1 308424499 QHYMJKXGHSHVMV-UHFFFAOYSA-N 199.323 2.473 0 20 AEAD Cc1nnc(N(C)[C@@H](C)C2(C)CC2)o1 335085466 WXYKLQJFOIJNLM-ZETCQYMHSA-N 195.266 2.003 0 20 AEAD CC1(C(=O)NC[C@H]2CC=CCC2)CC1 335266738 MDWWRPPVBCCCTG-JTQLQIEISA-N 193.290 2.259 0 20 AEAD CC[C@@H]1C[C@H]1NC(=O)C1=C(C)CCC1 336529332 OOZAIWMFISOTII-MWLCHTKSSA-N 193.290 2.402 0 20 AEAD CC[C@H](C)[C@H](C)N[C@H](C)CCCN 381944378 XWPRQYDPPSIFSO-AXFHLTTASA-N 186.343 2.138 0 20 AEAD CC[C@@H](NCCC1(O)CCC1)C1CC1 388908280 ZJHMDRABSUKWBW-LLVKDONJSA-N 197.322 2.070 0 20 AEAD COCC(C)(C)CN[C@@H](C)C1CCC1 389212795 JEEBOPMKNGYETI-JTQLQIEISA-N 199.338 2.437 0 20 AEAD CCC(=O)O[C@H](C)c1cccnc1 393544920 CWIVPJCNYJJCRM-MRVPVSSYSA-N 179.219 2.096 0 20 AEAD OCCCCN[C@@H]1CCCC12CCC2 394715029 BGNSZYBNMVQTFU-LLVKDONJSA-N 197.322 2.071 0 20 AEAD C[C@@H](CCCO)CN[C@@H](C)CC1CC1 395040679 DGOQZBNYIRQUKS-QWRGUYRKSA-N 199.338 2.173 0 20 AEAD C[C@H]1CC[C@@H](NC(=O)CCC2CC2)C1 400820547 FOSXBHFMHWPHSI-GXSJLCMTSA-N 195.306 2.481 0 20 AEAD CCCN(C)C(=O)[C@@H]1[C@@H](C)[C@H]1C1CC1 528304628 VCFRWKCAWIZYFA-INTQDDNPSA-N 195.306 2.147 0 20 AEAD Cc1ccccc1Nc1cn[nH]c1 536951043 ZYSFRMWBUBBJSJ-UHFFFAOYSA-N 173.219 2.462 0 20 AEAD CC(C)[S@@](=N)(=O)C(C)(C)C 536959227 YDDWIXSWRMMFED-SNVBAGLBSA-N 163.286 2.240 0 20 AEAD CC[C@@H](C)CN(C)c1cc(C)ncn1 599936267 OTMYMRIXXWEMFF-SECBINFHSA-N 193.294 2.267 0 20 AEAD CSCCN(C)[C@H](C)C1CC1 602320358 OBASYJJQNDEJQV-MRVPVSSYSA-N 173.325 2.080 0 20 AEAD CCCCCNC(=O)N[C@@H]1CC1(C)C 618562599 DXANBWKYIRFLIS-SECBINFHSA-N 198.310 2.274 0 20 AEAD Cc1nnc([C@H](C)N(C)CC(C)C)o1 620937697 UWWDBAQZRKTBNT-QMMMGPOBSA-N 197.282 2.027 0 20 AEAD CC[C@H](C)N1N=C(C(C)C)CCC1=O 634623662 LTZDACYWCGVNLK-VIFPVBQESA-N 196.294 2.419 0 20 AEAD C[C@@H](C[C@@H](C)N)NCC1CC(C)(C)C1 643483108 CRMNAZNHRXWZPC-ZJUUUORDSA-N 198.354 2.138 0 20 AEAD C[C@@H](CCC1CCCCC1)NCCN 643495748 XXCYXYLTPXTUOE-NSHDSACASA-N 198.354 2.284 0 20 AEAD CCCNCCN[C@@H]1CCC[C@H]1CC 643515260 VTYKFGHOEGMGOU-VXGBXAGGSA-N 198.354 2.154 0 20 AEAD CC[C@H](N[C@H](C)C1CC1)C(F)F 648620107 IHVFRKYRFQZQKZ-SVRRBLITSA-N 177.238 2.418 0 20 AEAD C[C@H]1CCC(C)(C)N1CCC[C@@H](C)O 650288336 IXBFCZSDPWTCPU-WDEREUQCSA-N 199.338 2.410 0 20 AEAD CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](O)C1 651476718 VRBKLAKIJMWVMN-WYUUTHIRSA-N 197.322 2.068 0 20 AEAD CCN(CC(C)C)c1cnn(CC)c1 653754504 GGCIGIJQLKPGCB-UHFFFAOYSA-N 195.310 2.385 0 20 AEAD CO[C@@H](C)CN[C@@H]1C[C@H](C)CC[C@H]1C 658169376 DIZUZXQHSKXTOF-WISYIIOYSA-N 199.338 2.436 0 20 AEAD C1=C[C@H](N2CC[C@@H]3C[C@@H]3C2)CCC1 661973680 OCEICSMENRFRKH-UTUOFQBUSA-N 177.291 2.437 0 20 AEAD CC[C@@H](N[C@@H](C)CNC)C1CCCC1 665298108 RWJIXQJRGWAMLU-CMPLNLGQSA-N 198.354 2.153 0 20 AEAD CCCNCCN[C@@H](C)CC1CCC1 666820782 ACPAERPMTKIUHW-NSHDSACASA-N 198.354 2.154 0 20 AEAD CC[C@@H](C)N(C)CC1(N(C)C)CCC1 669693518 KWOGNSXQMSGJQK-LLVKDONJSA-N 198.354 2.201 0 20 AEAD CCC[C@@H]1CN(CCC2CC2)CCO1 677571988 NJOCJRBAQBVKKR-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD CC[C@H](C)CN1C[C@@H](C)N(C)C[C@@H]1C 678172570 FBIJETJENNFZJH-TUAOUCFPSA-N 198.354 2.057 0 20 AEAD CC(C)CCCN(C)Cc1ncc[nH]1 681712263 SIAPDWGJYBHION-UHFFFAOYSA-N 195.310 2.278 0 20 AEAD CO[C@@H]1CCCN(CC2(C)CC2)CC1 683837362 DDRWIOZGXJXQMU-LLVKDONJSA-N 197.322 2.287 0 20 AEAD C1CC[C@@H](C[C@H]2CCCNCC2)OC1 718975778 LBTMCTJKWBWYER-RYUDHWBXSA-N 197.322 2.335 0 20 AEAD CCC[C@@H](CC)C(=O)Nc1ccon1 821498099 WNRYDLLVAOUBTA-MRVPVSSYSA-N 196.250 2.439 0 20 AEAD C[C@H]1CCCC[C@H]1NC(CF)CF 824554609 ILGAGBBCCQFDDC-WCBMZHEXSA-N 191.265 2.462 0 20 AEAD CC(C)(C)C1=CCN(C(=O)O)CC1 833426208 IGGGHUICWZVKCJ-UHFFFAOYSA-N 183.251 2.343 0 20 AEAD CCc1noc(CSC(F)F)n1 834404921 NSYOEGVDPFRVDY-UHFFFAOYSA-N 194.206 2.088 0 20 AEAD CCCCCOC(=O)[C@@H]1CC1(F)F 835084293 LFNYFXGKFVYLEN-ZETCQYMHSA-N 192.205 2.375 0 20 AEAD C[C@@H](NCCC(C)(C)F)c1ncc[nH]1 850532212 QOCXVUMWVJJXQL-MRVPVSSYSA-N 199.273 2.199 0 20 AEAD Cc1cocc1C(=O)N[C@H]1C=CCC1 862172732 HGNUTWFENBMIAH-VIFPVBQESA-N 191.230 2.036 0 20 AEAD C/C=C/C=C\C(=O)N(C1CC1)C1CC1 862853966 WEWYHTGJRRQYFF-IAROGAJJSA-N 191.274 2.272 0 20 AEAD CCCN(CC)Cc1ncccc1F 1207026466 KGCNSFRJFXEOTN-UHFFFAOYSA-N 196.269 2.453 0 20 AEAD CC[C@@H](C)C(=O)N1CC2CCC1CC2 1254083417 XKOVGIHXGHPRFX-KPPDAEKUSA-N 195.306 2.434 0 20 AEAD CC[C@H](F)C(=O)NCCCC(C)C 1515279511 IEYUNDKQIRHCEL-VIFPVBQESA-N 189.274 2.287 0 20 AEAD CC[C@H]1CCCC[C@@H]1N(C)C[C@H](C)O 1653309706 AQTSOWVWEGOTKM-SRVKXCTJSA-N 199.338 2.268 0 20 AEAD CCCCC1CCC(C(N)=O)CC1 33432767 UNSGWAYBZYUUQY-UHFFFAOYSA-N 183.295 2.468 0 20 AEAD CCCCCC(=O)N1CC=CCC1 34141683 QDGNCDULFPNJLS-UHFFFAOYSA-N 181.279 2.355 0 20 AEAD COc1cccc(SC[C@H](C)O)c1 37697175 HBHDBPXWPWDPCA-QMMMGPOBSA-N 198.287 2.168 0 20 AEAD O=C(O)C[C@@H]1CCc2c(F)cccc21 41206603 XTWFTRIBHMJCMM-ZETCQYMHSA-N 194.205 2.330 0 20 AEAD C1CCC(NCCC2CC2)C1 49730504 KBKFIZUAQLLENL-UHFFFAOYSA-N 153.269 2.319 0 20 AEAD CCN(CCN[C@H](C)C(C)C)C1CC1 53377326 NRXABNRXPOZCEF-LLVKDONJSA-N 198.354 2.105 0 20 AEAD CCCCCN[C@H]1CCO[C@H](C)C1 69856838 BQYOETLCAYKIQA-MNOVXSKESA-N 185.311 2.334 0 20 AEAD CC[C@H](COC)Nc1cccc(F)n1 70659622 DYCRFQIVPUKXAF-MRVPVSSYSA-N 198.241 2.058 0 20 AEAD C[C@@H]1CCCC[C@H]1CN[C@@H]1CCOC1 70968661 KVJHQYRCNXKVMW-GRYCIOLGSA-N 197.322 2.191 0 20 AEAD CCOc1cccc([C@@H]2CCN2)c1 78678150 YVIFOLZWFJPRBJ-NSHDSACASA-N 177.247 2.120 0 20 AEAD O=[S@](CC1CC1)c1ccc(F)cc1 82818295 KJHRHEUKTNCGSO-ZDUSSCGKSA-N 198.262 2.343 0 20 AEAD C[C@H](O)[C@@H]1CCc2ccccc21 83800135 MEKDUGFLAOZSOQ-WPRPVWTQSA-N 162.232 2.097 0 20 AEAD CC1(C)CCC[C@@H]([C@@H]2CCCN2)C1=O 86844435 IIRXTBPDFKQTHL-UWVGGRQHSA-N 195.306 2.134 0 20 AEAD Cc1csc(C[C@H]2CCC[C@H]2O)n1 87395783 OAJDDQJLEXFHMI-RKDXNWHRSA-N 197.303 2.155 0 20 AEAD C[C@@H]1CCCC[C@@H]1CNCCF 87774980 UWAUNZSNJKSBPI-NXEZZACHSA-N 173.275 2.372 0 20 AEAD Cc1cc[nH]c1C(=O)OC(C)(C)C 95930385 PMYMRRMSVHGYEE-UHFFFAOYSA-N 181.235 2.278 0 20 AEAD CC[C@H]1CCCC[C@H]1NCC[C@H](C)O 101635608 ZSPNBGVJQNYXES-SDDRHHMPSA-N 199.338 2.316 0 20 AEAD C[C@H](CNC[C@@H]1CCC=CO1)C1CC1 132523906 SUCAMVZPKFPQAM-PWSUYJOCSA-N 195.306 2.315 0 20 AEAD Cc1cnc(C(F)F)c(C(=O)O)c1 219947258 GKHHTMUXLPHEKC-UHFFFAOYSA-N 187.145 2.026 0 20 AEAD CCC(CC)N[C@@H](C)c1cn[nH]c1 222512064 AQVYCPGFPJOTQC-QMMMGPOBSA-N 181.283 2.249 0 20 AEAD CCC[C@@H](CCO)CNC1CC(C)C1 231788690 MDQNPMYTKAZDFE-CXQJBGSLSA-N 199.338 2.173 0 20 AEAD CC[C@@H]1C[C@H](C)CC[C@H]1NC[C@H](C)O 252728634 CCNASGBMWVOTRL-WRWGMCAJSA-N 199.338 2.172 0 20 AEAD CCC(=O)NC1(C)CCC(C)CC1 306161156 PUAZJNWSMCOIEG-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD C[C@@H]1CCN([C@@H]2CCCC[C@H]2O)[C@@H]1C 306257013 YKXUOCYVKVNKJX-DDHJBXDOSA-N 197.322 2.020 0 20 AEAD CO[C@@H](C)[C@@H](C)Nc1ncccc1F 306485602 NXHBHRPWCBWLEO-SFYZADRCSA-N 198.241 2.056 0 20 AEAD CCN(C)C(=O)N1[C@H]2CCC[C@H]1CC2 306558537 PMBCUFZXZPLMHO-UWVGGRQHSA-N 196.294 2.075 0 20 AEAD C/C=C(\C)C(=O)N1CCC[C@H]1CC 307413743 SFMDBADBNITCFC-WXLQGSQKSA-N 181.279 2.354 0 20 AEAD CC[C@@H]1CC[C@@H]1NCC1CC1 307706534 XMWCXGSQPUVIBC-ZJUUUORDSA-N 153.269 2.175 0 20 AEAD CN(C/C=C/Cl)CC(F)(F)F 307732207 OUDHOEWLAQBJDK-NSCUHMNNSA-N 187.592 2.233 0 20 AEAD C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc[nH]1 307754612 ZUXZLWILJLEQHN-LPEHRKFASA-N 178.279 2.464 0 20 AEAD C/C=C/COC(=O)C1CCCC1 308048001 QKIUUXGJCAKJTH-NSCUHMNNSA-N 168.236 2.296 0 20 AEAD CO[C@@H](C)CNCc1ccsc1C 308192503 KJPXEQZQXAPQLT-QMMMGPOBSA-N 199.319 2.181 0 20 AEAD CC(C)COC(=O)[C@@H]1[C@H]2CCC[C@H]21 308276098 VCGNWKBVRUVVIT-MYJAWHEDSA-N 182.263 2.232 0 20 AEAD CC1(C(=O)OCCCCF)CCC1 308296277 KABTTZWBSKZGAP-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD CCC[C@@H](C)OC(=O)c1ccc[nH]1 308311555 RUQNXGMOFNOKTH-MRVPVSSYSA-N 181.235 2.360 0 20 AEAD C[C@@H](N)C[C@@H](C)NC1CCCCCC1 320496820 IZOSXLWVNOULAA-GHMZBOCLSA-N 198.354 2.425 0 20 AEAD C[C@H](O)CN1CC=C(C(C)(C)C)CC1 334512364 SOJJXLHUOAMSIU-JTQLQIEISA-N 197.322 2.045 0 20 AEAD CC1CCN(C(=O)CCC2CC2)CC1 334570539 PTODRQZMCBVLCP-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CC(C)=CCN[C@@H]1CCCCC[C@@H]1N 335595298 ATFREWDPCSCPAJ-NWDGAFQWSA-N 196.338 2.202 0 20 AEAD CC(C)(N)CN[C@H]1CCC12CCCC2 335597042 HKYAWUTYMKYWQF-JTQLQIEISA-N 196.338 2.036 0 20 AEAD O=C(N[C@H]1C=CCCC1)C1=CCCC1 336051881 FKLDYAPYHSTTQJ-NSHDSACASA-N 191.274 2.322 0 20 AEAD CN(C(=O)CC1CCC1)[C@@H]1CC1(C)C 336090335 CRRBOMUBIKNLJV-SNVBAGLBSA-N 195.306 2.434 0 20 AEAD CCCOC(=O)N(CC)CC1CC1 379357202 QTTXGJVHEFXING-UHFFFAOYSA-N 185.267 2.265 0 20 AEAD CC[C@H](C)[C@](C)(O)CN[C@@H]1CC[C@H]1C 379581735 LAAUKSYJMCZMFW-WRWGMCAJSA-N 199.338 2.172 0 20 AEAD CCCN(c1nc(C)ns1)C1CC1 388696800 MHZDYORHLXEJEZ-UHFFFAOYSA-N 197.307 2.225 0 20 AEAD C[C@@H](NC(=O)CC1CCC1)C1CC1 388896505 MITZMRFEWBDRQS-MRVPVSSYSA-N 181.279 2.091 0 20 AEAD CCOC1CCN(CC2CCC2)CC1 608493097 JVECVDDKTITDNZ-UHFFFAOYSA-N 197.322 2.287 0 20 AEAD CC(C)CCNC(=O)N[C@@H]1CC1(C)C 618513307 XMEYJRXKIZGEHB-SECBINFHSA-N 198.310 2.130 0 20 AEAD CC[C@@H]1CCC[C@H]1N[C@H]1C[C@H](OC)C1 624298658 WPSPHLVYPWRGNC-DDHJBXDOSA-N 197.322 2.332 0 20 AEAD CC[C@H](C)CN1CCC[C@](O)(CC)C1 639385512 SWIAKXQSFODAPA-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD CCOc1ccn(C[C@@H](C)CC)n1 641729517 FIWCQOCOEKIYJL-VIFPVBQESA-N 182.267 2.328 0 20 AEAD CCC[C@H](C)[C@H](CC)NCCNC 643504424 IAHRDBZYUQGLOX-QWRGUYRKSA-N 186.343 2.010 0 20 AEAD CC[C@@H]1CC[C@H]1NCCCNC(C)C 643508516 WNXQGZAODGSADE-VXGBXAGGSA-N 198.354 2.153 0 20 AEAD CC1(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 648597486 GNKATXFCVOEXRE-KXUCPTDWSA-N 193.290 2.091 0 20 AEAD CCC1(N[C@@H](C)c2nccn2C)CC1 651396540 HTEPPBRAZRGDNO-VIFPVBQESA-N 193.294 2.013 0 20 AEAD FC(F)CN[C@H]1CC[C@H]1C1CCC1 656610035 CGZNXTXPNHMKEZ-IUCAKERBSA-N 189.249 2.420 0 20 AEAD CC1(C)C[C@@]1(C)NC1CCC(O)CC1 658301259 HHIBPMDRILQGLK-RTYFJBAXSA-N 197.322 2.068 0 20 AEAD CC(C)=CCCN1CCO[C@@H](C)[C@@H]1C 660012831 UXYGGEDNFKROQD-RYUDHWBXSA-N 197.322 2.452 0 20 AEAD CC/C=C/CCN1CCC(CO)CC1 681019425 MXNVCVZAFLLLGU-ONEGZZNKSA-N 197.322 2.047 0 20 AEAD CC[C@H]1[C@@H](C)CCN1CCCOC 681470417 RNPVMGJDBWGZST-QWRGUYRKSA-N 185.311 2.143 0 20 AEAD CC(C)CC[C@@H](C)NC[C@H]1C[C@H](O)C1 720938298 APRMYDSUQTUMBA-IJLUTSLNSA-N 199.338 2.172 0 20 AEAD CC[C@H](C)C(=O)N[C@H](C)c1ccc[nH]1 760732111 REISTLXKSLOEIO-DTWKUNHWSA-N 194.278 2.238 0 20 AEAD F[C@@H]1CCCN(C[C@H]2CCC=CO2)C1 846120367 PJLKIIUUOKUURH-GHMZBOCLSA-N 199.269 2.113 0 20 AEAD Cc1ncoc1CN1CCC[C@H](C)C1 893871366 LZTZDFXLHDZSSJ-VIFPVBQESA-N 194.278 2.215 0 20 AEAD CC1=C(C(=O)N(C)CCCF)CCC1 895293489 MJUFIAFFSQXMGN-UHFFFAOYSA-N 199.269 2.305 0 20 AEAD CCCCCC[C@@H](C)NCC1(N)CC1 902415473 PALFNUOFONFCOC-LLVKDONJSA-N 198.354 2.426 0 20 AEAD C[C@H](O)CN[C@@H]1[C@@H](C)CC[C@@H](C)[C@H]1C 903129126 FQVQMGJGGWGHSG-YBXAARCKSA-N 199.338 2.028 0 20 AEAD CC[C@@H](CO)Sc1ccccc1O 916831888 GAELGLBVJPAASZ-QMMMGPOBSA-N 198.287 2.255 0 20 AEAD CC[C@H](CO)N1CC[C@@H](C)C[C@@H](C)C1 932125687 CRNJYBBDAKGBSF-IJLUTSLNSA-N 199.338 2.125 0 20 AEAD CC1(C(=O)NC/C=C/C2CC2)CCC1 1327964911 CZTHJBTXZRCULG-DUXPYHPUSA-N 193.290 2.259 0 20 AEAD C1CCC(C2=NC3(CCCC3)ON2)C1 1350117471 MSSFARHHLFZTJJ-UHFFFAOYSA-N 194.278 2.380 0 20 AEAD CCCCCNC(=O)[C@@H](C)CC 5502777 JHIHGBYUASZSOO-VIFPVBQESA-N 171.284 2.339 0 20 AEAD Cc1coc2ncccc12 25947970 GSEKQZVLTYPPMI-UHFFFAOYSA-N 133.150 2.136 0 20 AEAD CCNCc1ccc(C)c(OC)c1 36947821 KKNOHIVSGQTCIW-UHFFFAOYSA-N 179.263 2.113 0 20 AEAD Cc1ccsc1[C@H]1C[C@@H]1C(=O)O 37380767 INEMTYIXBMMJIJ-BQBZGAKWSA-N 182.244 2.245 0 20 AEAD Cc1cccc(C)c1OC[C@@H](C)O 38760874 QFOWJPBDGSGFEJ-SNVBAGLBSA-N 180.247 2.063 0 20 AEAD in-vitro CC(C)c1cc(=S)[nH]cn1 40765893 VEHPAQSFZJUJKQ-UHFFFAOYSA-N 154.238 2.263 0 20 AEAD Cc1nc(C(=O)C2CC2)sc1C 45205774 FGUMYRKCHVIQBI-UHFFFAOYSA-N 181.260 2.353 0 20 AEAD Cc1ccc(C)c([C@@H]2C[C@H]2N)c1 49670066 OVZWDTMDTJLUHH-WDEREUQCSA-N 161.248 2.118 0 20 AEAD CC[C@@H](NCCCO)C1CCCCC1 52338816 GVRDYNBKOWYZQB-GFCCVEGCSA-N 199.338 2.317 0 20 AEAD C[C@H](NC1CCOCC1)C1CCCC1 54078407 FZBYJFISXFITQP-JTQLQIEISA-N 197.322 2.334 0 20 AEAD N[C@H]1CCCC[C@H]1OC1CCCC1 54320124 FYDJSOTYDBOKPP-WDEREUQCSA-N 183.295 2.216 0 20 AEAD CCCN(CC)C[C@]1(C)CCCNC1 62861921 MKNWCTCMMVYTPB-GFCCVEGCSA-N 198.354 2.108 0 20 AEAD CC(C)CCN1CCCC[C@H]1[C@@H](C)N 63191675 HMCSHXQCHKGSKK-NEPJUHHUSA-N 198.354 2.234 0 20 AEAD CCc1c([C@@H](C)C(C)C)nn(C)c1N 69687365 XFQFKIFLIZAFQY-QMMMGPOBSA-N 195.310 2.324 0 20 AEAD C[C@H](NCc1ncc[nH]1)C1CCCC1 70621718 VKUGTUFHMJFKID-VIFPVBQESA-N 193.294 2.078 0 20 AEAD CCCC[C@@H](C)NC[C@@](C)(O)CC 83462553 LSQDMJNXPCJPHH-MNOVXSKESA-N 187.327 2.316 0 20 AEAD Cc1cccc([C@]2(N)C[C@@H]2C)c1 84329792 LPELEYWSCGGKKH-ONGXEEELSA-N 161.248 2.189 0 20 AEAD CCCOc1nc(Cl)ncc1C 85786446 RPGHXFJHDUFIDA-UHFFFAOYSA-N 186.642 2.227 0 20 AEAD C[C@H](CCO)CN[C@H]1CCC(C)(C)C1 87772267 HHIOCQWHKODBDZ-MNOVXSKESA-N 199.338 2.173 0 20 AEAD CN(CC1CCCCC1)C(C)(C)CO 124812393 UVTMHGSIHXNTCA-UHFFFAOYSA-N 199.338 2.269 0 20 AEAD CCCNC(=O)N1C[C@@H](C)CC[C@H]1C 127975566 VNFKOXLVNHDWQF-VHSXEESVSA-N 198.310 2.226 0 20 AEAD CC(C)NC(=O)N(C)C1CCCCC1 135966831 OYRBVLGJTYRYAQ-UHFFFAOYSA-N 198.310 2.369 0 20 AEAD CC[C@H](C)CNC[C@@H]1CC[C@H](C)O1 148687238 JAKIBNDMNHPQHL-DCAQKATOSA-N 185.311 2.190 0 20 AEAD CC(C)CCNc1cc(F)ncn1 149961633 NJDJRHWKGHRXJP-UHFFFAOYSA-N 183.230 2.074 0 20 AEAD CNC[C@@H](C)NCCC1CCCCC1 162128503 SSKZUMOHEVFWKZ-LLVKDONJSA-N 198.354 2.154 0 20 AEAD Cc1cccc([C@@H]2C[C@H](F)CN2)c1 219535788 SYPGUZIWFUVTCU-QWRGUYRKSA-N 179.238 2.368 0 20 AEAD CC(C)=CCNC(=O)c1cccs1 232595293 MISPUKZBFANWAI-UHFFFAOYSA-N 195.287 2.444 0 20 AEAD CC[C@H](NC[C@H]1CCO[C@@H]1C)C1CC1 234057421 KBSPKZBVUHQEPJ-JLLWLGSASA-N 197.322 2.190 0 20 AEAD C[C@H](O)CN(C)[C@H](C)c1cccs1 235549586 FMORTZIVSAPGAM-DTWKUNHWSA-N 199.319 2.122 0 20 AEAD CC(C)[C@@H]1CCCN1CCC[C@H](C)O 251347448 ARNKDFYDPBCZDP-RYUDHWBXSA-N 199.338 2.268 0 20 AEAD COc1ccccc1[C@H](F)C(C)(C)N 257863780 ROJQSKBGSQBKNL-JTQLQIEISA-N 197.253 2.443 0 20 AEAD CC(=O)N(C)CCc1ccccc1C 258869169 ZPKCFKKDAIAESC-UHFFFAOYSA-N 191.274 2.016 0 20 AEAD CCC1(CN[C@H]2CCOC[C@@H]2C)CC1 300836269 IRQBTKYWMRSHCX-QWRGUYRKSA-N 197.322 2.191 0 20 AEAD CCCCN1C[C@H]2CCC[C@H]21 306766885 XHPPZMHCKPWAJD-NXEZZACHSA-N 153.269 2.271 0 20 AEAD CCC(=O)N[C@]1(C)CCCC[C@H]1C 307186088 LFVYWONTDYUMIO-MWLCHTKSSA-N 183.295 2.481 0 20 AEAD Cc1nsc(N2CCCC[C@H]2C)n1 307542375 TZJDYEYKPGIVRT-SSDOTTSWSA-N 197.307 2.225 0 20 AEAD CS/C=C\C(=O)NC[C@@H]1CC1(C)C 308288232 BVGOMUGHOMOZKA-LGYSABEFSA-N 199.319 2.025 0 20 AEAD COCCNC(C)(C)c1cccs1 308464273 IPXKNODIDNKVOK-UHFFFAOYSA-N 199.319 2.219 0 20 AEAD C[C@@H]1CC[C@@H](CN(C)C2CCC2)O1 334150680 NDTWNBIRDFHSTB-KOLCDFICSA-N 183.295 2.038 0 20 AEAD CC1CC(NC(=O)[C@H]2CC[C@@H](C)C2)C1 334372669 RVHYVHNOTNLELU-VKAADOFISA-N 195.306 2.337 0 20 AEAD CCC1CN(Cc2csc(C)n2)C1 334522134 JOKKHBWWYDWJCM-UHFFFAOYSA-N 196.319 2.293 0 20 AEAD C[C@H]1CCCN1CCc1cncs1 334567115 XORQHIKPSBBJNF-VIFPVBQESA-N 196.319 2.170 0 20 AEAD NCCCN1CCCC12CCCCC2 334836354 GIIXJRWADCVWMC-UHFFFAOYSA-N 196.338 2.134 0 20 AEAD C[C@H](CC1CCCC1)C(=O)N1CCC1 335436359 HEMLHHXJYUJGDB-SNVBAGLBSA-N 195.306 2.435 0 20 AEAD CN(Cc1cncc(F)c1)C(C)(C)C 335457107 XHYWLCMREFNTMM-UHFFFAOYSA-N 196.269 2.451 0 20 AEAD C[C@]1(NC2CCCC2)CCCOC1 335526709 HRKYWTUBBUPYQW-NSHDSACASA-N 183.295 2.088 0 20 AEAD CCOC1(C)CCN(C(C)C)CC1 335571507 JZPBDMUBKFAXEV-UHFFFAOYSA-N 185.311 2.286 0 20 AEAD Cc1ccc(CN2CC[C@H](F)C2)o1 336222865 PTZYAVJJSAIPKH-VIFPVBQESA-N 183.226 2.132 0 20 AEAD CCC[C@H](C)OC(=O)[C@@H](C)OCC 379381631 DDPYNMBAKHXLKN-DTWKUNHWSA-N 188.267 2.143 0 20 AEAD CC[C@H]1CC[C@H]1NCC1CCOCC1 379601800 MFLVVSVZQVZTSY-NWDGAFQWSA-N 197.322 2.191 0 20 AEAD C[C@@H]1C[C@H](N)CN1CCCC(C)(C)C 385210781 WYPPDWFBPDZBHT-MNOVXSKESA-N 198.354 2.234 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@H]1CCSC1 388277627 WYPCKHADEKQXTA-UTLUCORTSA-N 185.336 2.128 0 20 AEAD C/C=C\C[C@H](CO)N[C@H](C)CC1CC1 389305298 NKCKVHNMAWCGIT-YZKQYGISSA-N 197.322 2.092 0 20 AEAD C[C@@H](CC(C)(C)C)NCCCCN 395014491 KZSGYVDGOYKJQU-JTQLQIEISA-N 186.343 2.140 0 20 AEAD OCCSCC=C(Cl)Cl 403473756 POPJVGBDNAGUKX-UHFFFAOYSA-N 187.091 2.031 0 20 AEAD CC[C@H](CN[C@H](C)[C@@H]1CC12CC2)OC 527898359 HEPSFHQIJDCWPG-MXWKQRLJSA-N 197.322 2.190 0 20 AEAD CSCCN1CCCC(F)(F)C1 593050901 YPTFIVDOPCOBDE-UHFFFAOYSA-N 195.278 2.081 0 20 AEAD CCOCCN1[C@@H](C)CCC[C@H]1C 595716109 MHGNPPPQQMNTFX-PHIMTYICSA-N 185.311 2.286 0 20 AEAD Cc1ccc2oc(-n3ccnc3)nc2c1 604034393 JPBQMUJPVYQOGN-UHFFFAOYSA-N 199.213 2.322 0 20 AEAD Cc1cncc(NC(=O)CCCF)c1 612046489 AWYVCGLSIQFPOA-UHFFFAOYSA-N 196.225 2.078 0 20 AEAD CC[C@@H]1C[C@H]1NC(=O)CCCC1CC1 643242886 MKLGDZRJJDUVGR-GHMZBOCLSA-N 195.306 2.481 0 20 AEAD CC[C@@H](C)N1CC[C@@](C)(COC)C1 649765662 OLKOTVVNIGSBLU-GHMZBOCLSA-N 185.311 2.143 0 20 AEAD CC[C@H](CO)N[C@@H]1CCCCC[C@H]1C 651669944 OYKOGJJCPFMIMQ-IJLUTSLNSA-N 199.338 2.316 0 20 AEAD CN(CC(F)F)CC1CC=CC1 659878571 MVTYHUJNDJFILD-UHFFFAOYSA-N 175.222 2.150 0 20 AEAD C[C@@H]1CCC[C@H](CCN(C)CCO)C1 674904429 PWQDMQAHVQMSEL-VXGBXAGGSA-N 199.338 2.127 0 20 AEAD CCN(CCF)c1cccc(OC)c1 675246676 QEVVHXTXQMBBPC-UHFFFAOYSA-N 197.253 2.491 0 20 AEAD CCC[C@H](C)NC(=O)[C@H]1CC12CCC2 675289045 YOUITBSQDVFSRL-VHSXEESVSA-N 195.306 2.481 0 20 AEAD CCCCN(C)c1nnc(C2CC2)o1 682236983 VEZUHJPNFLJLND-UHFFFAOYSA-N 195.266 2.183 0 20 AEAD COc1cccnc1N[C@@H]1C=CCC1 698188746 FGZYGOJYWQAJAZ-SECBINFHSA-N 190.246 2.221 0 20 AEAD CCC[C@H](C)N[C@H](C)c1cn(C)cn1 709951306 XTOZKRRTLGTEHZ-VHSXEESVSA-N 195.310 2.259 0 20 AEAD CC1(C)CCCN(C(=O)O)CC1 736732357 HDJKIOZEXLZKJL-UHFFFAOYSA-N 171.240 2.177 0 20 AEAD C[C@@H]1CCN(C[C@@H]2CCC=CO2)[C@@H]1C 774913782 QORGZGKDPSOGDR-UTUOFQBUSA-N 195.306 2.409 0 20 AEAD CC[C@H](C)CSCC[S@](C)=O 842566756 LAQRMGMRJDNPLR-KWQFWETISA-N 194.365 2.144 0 20 AEAD C=C=CCNC(=O)[C@@]1(C)CC=CCC1 848114033 PCDUTCBBXKUPCY-LBPRGKRZSA-N 191.274 2.190 0 20 AEAD CC1(C)CC[C@H]1Nc1ccc(F)nn1 865807268 YJGRZEXFSYLIGN-SSDOTTSWSA-N 195.241 2.216 0 20 AEAD Cc1sccc1NC(=O)C(F)F 870685732 VBMKJWGUVVVZQC-UHFFFAOYSA-N 191.202 2.260 0 20 AEAD CC(C)CC(=O)N[C@@H]1CC12CCC2 874792168 RKPKUROCLNMSEC-SECBINFHSA-N 181.279 2.091 0 20 AEAD CC[C@@H]1C[C@H]1CNCc1ocnc1C 894897474 FRUOPZJDCANTMZ-ZJUUUORDSA-N 194.278 2.119 0 20 AEAD CC(C)(N)CCN[C@@H]1CCC12CCC2 925739558 YTCTWDPRCLBYOH-SNVBAGLBSA-N 196.338 2.036 0 20 AEAD CC1CC(CN2C[C@H](C)OC[C@@H]2C)C1 929182061 JFRIQSRSRYIADX-YECOWLKZSA-N 197.322 2.142 0 20 AEAD CC[C@@H]1CCN(Cc2cnc[nH]2)[C@H]1C 1473403043 OVYKHXWOOOCMOC-VHSXEESVSA-N 193.294 2.030 0 20 AEAD Cc1ccc(NN[C@@H]2CC[C@@H]2F)cc1 1898235410 LYAGYERVDSXTIZ-WDEREUQCSA-N 194.253 2.412 0 20 AEAD CC[C@H](C)NC(=O)C(C)(C)CC 5665687 YGCFFPUKUTYYQL-QMMMGPOBSA-N 171.284 2.337 0 20 AEAD CC[C@@H](C)[C@H](C)N[C@@H](C)COC 20087631 JUBDFGSFGIBTHR-UTLUCORTSA-N 173.300 2.046 0 20 AEAD Fc1cncc([C@@H]2CCCCN2)c1 34773447 OOAWOFFXGYIRGI-JTQLQIEISA-N 180.226 2.035 0 20 AEAD CCOC(=O)CCS[C@H](C)CC 36671199 YIDQLDPRITYCFU-MRVPVSSYSA-N 190.308 2.471 0 20 AEAD C[C@@H](N)c1nc(-c2cccs2)c[nH]1 36872315 RFQVVAYHGAEIQM-ZCFIWIBFSA-N 193.275 2.158 0 20 AEAD CCOc1cc(O)cc(OCC)c1 39259372 YLMYXAAUQOWAOK-UHFFFAOYSA-N 182.219 2.190 0 20 AEAD CC[C@H](C)NC[C@@H](N)c1ccccc1 40407961 OVPVWORHACJRDT-CMPLNLGQSA-N 192.306 2.075 0 20 AEAD CCCCC[C@@H](C)NCCNC1CC1 42574176 BUMKQNZJVSVNFQ-LLVKDONJSA-N 198.354 2.297 0 20 AEAD CCN(CC[C@H](C)O)C1CCCCC1 44113553 AYHNZGLQYYGUBD-NSHDSACASA-N 199.338 2.412 0 20 AEAD CCNC(=N)NCCC1CCCCC1 52042338 JNMTVVKTWDLRMA-UHFFFAOYSA-N 197.326 2.091 0 20 AEAD CCC(CC)NCC1CCOCC1 52171690 IIIAJGHGNWAYEE-UHFFFAOYSA-N 185.311 2.191 0 20 AEAD CCC(C)(C)CNC(C)C 54403070 TUHOTGBIVSMASC-UHFFFAOYSA-N 143.274 2.421 0 20 AEAD CCCN[C@@H](C)c1ccoc1 69630857 VZDWYPYPWQXNTJ-QMMMGPOBSA-N 153.225 2.340 0 20 AEAD Cc1ccnc(N[C@H]2CCC[C@H]2C)n1 70832504 RHYTWAADFVERBF-SCZZXKLOSA-N 191.278 2.386 0 20 AEAD CCC(C)(C)N(C)C(=O)C1CC1 78717723 SEXPXEDXKKZPAR-UHFFFAOYSA-N 169.268 2.043 0 20 AEAD CCCCCN1CCCC[C@H]1CCN 82594369 GZGUCVIZDFLQJZ-LBPRGKRZSA-N 198.354 2.380 0 20 AEAD CCN1CCCNc2ccccc21 82923275 GYQZHYBZRITNRC-UHFFFAOYSA-N 176.263 2.329 0 20 AEAD C[C@@H](O)CCNC1CCCCCCC1 82993559 BJAQMJZWPZHCAS-LLVKDONJSA-N 199.338 2.460 0 20 AEAD CCc1nccn1CC1CCC1 83842136 IFNBTHFARWZMGU-UHFFFAOYSA-N 164.252 2.246 0 20 AEAD CC(=O)N(CC(C)C)C1CCCC1 83860745 MHFIQXMMAQDHKZ-UHFFFAOYSA-N 183.295 2.434 0 20 AEAD O=C(O)[C@@H](F)c1cccc(F)c1F 86243052 DLXMYDTYJYYKLZ-ZETCQYMHSA-N 190.120 2.060 0 20 AEAD Cc1ncc(C[C@H](C)[C@H](C)O)s1 86360316 IDTZPRODOPUTBB-BQBZGAKWSA-N 185.292 2.011 0 20 AEAD CC[C@@H](C)CN(CC)CC(C)(C)N 86440279 WBCBHAJNRRYFKV-SNVBAGLBSA-N 186.343 2.092 0 20 AEAD CCCCN[C@H]1CCOC2(CCC2)C1 86901472 QZNWAEZTASOXMB-NSHDSACASA-N 197.322 2.478 0 20 AEAD COC[C@@H](N[C@H]1CC=CCC1)C1CC1 87481383 BBENWGVJKLFYOX-NWDGAFQWSA-N 195.306 2.110 0 20 AEAD C=C(F)c1ccncc1 96675578 WRWKKVYVZRQKFL-UHFFFAOYSA-N 123.130 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ALSUDZXIPUHTES-UHFFFAOYSA-N 197.303 2.408 0 20 AEAD CCCN1CCC=C(Cl)C1 878793535 FZOKHZIZCDWJRN-UHFFFAOYSA-N 159.660 2.225 0 20 AEAD Cc1cc(C2(O)CCCCC2)on1 901393660 QBECEAPQUXSHLV-UHFFFAOYSA-N 181.235 2.135 0 20 AEAD CCCCNCCc1c(C)noc1C 906530148 ZSEOPZDGZNHYHM-UHFFFAOYSA-N 196.294 2.224 0 20 AEAD CCC[C@@H](C)NC(=O)[C@@]12CCC[C@@H]1C2 929719690 ZNVARASLSXQOEU-CKYFFXLPSA-N 195.306 2.481 0 20 AEAD CC1(NC(=O)C(F)=C2CCCC2)CC1 1342690538 CXPICOXPJGUVPD-UHFFFAOYSA-N 197.253 2.453 0 20 AEAD C[C@H](O)[C@@H](C)N1CC[C@@H](C)C(C)(C)C1 1645227771 HIQXZANDHLFOFE-MXWKQRLJSA-N 199.338 2.124 0 20 AEAD F[C@@H]1CC[C@@H]1NCCc1cccs1 1848790511 ZABRNHVVOVTZEJ-ZJUUUORDSA-N 199.294 2.381 0 20 AEAD COc1c(C=O)cc(C)c(F)c1F 1975563805 ZOMSWUFMCGWIBN-UHFFFAOYSA-N 186.157 2.094 0 20 AEAD O=C(OC1CCCC1)c1ccncc1 363918 QPUNDERDSYMSEX-UHFFFAOYSA-N 191.230 2.181 0 20 AEAD CC[C@H]1NCCc2ccc(OC)cc21 11598333 PHQLMKABTKLFLL-GFCCVEGCSA-N 191.274 2.292 0 20 AEAD C[C@H]1CCC[C@@H](C)N1CCCC(=O)O 11864640 KSDSUUGUVYGRHZ-AOOOYVTPSA-N 199.294 2.114 0 20 AEAD C#CCOC(=O)c1ccccc1Cl 32165735 KPSJNVKFAPXVOC-UHFFFAOYSA-N 194.617 2.130 0 20 AEAD Cc1ccc(N)c(C(=O)OC(C)C)c1 33509391 GOKFXWRVTSKQGN-UHFFFAOYSA-N 193.246 2.142 0 20 AEAD CSc1ccc(/C=C/CO)cc1 34449490 CYEZGNXSQXNLBW-NSCUHMNNSA-N 180.272 2.414 0 20 AEAD CCc1c([C@@H](C)CC)nn(C)c1N 36916348 UVRHNYLYQNVNDX-ZETCQYMHSA-N 181.283 2.078 0 20 AEAD CC[C@H](N)[C@H](C)OCc1ccccc1 37981069 CEJSJCSWGGOCFQ-JQWIXIFHSA-N 193.290 2.329 0 20 AEAD CCC[C@@H](C#N)NC(=O)C(CC)CC 40352406 QBTCATZEZDTFDA-JTQLQIEISA-N 196.294 2.231 0 20 AEAD CCCC[C@H](N)c1ccco1 43606941 YCNWYDMJAQDTRK-QMMMGPOBSA-N 153.225 2.470 0 20 AEAD CCCCN(C)C[C@]1(C)CCCNC1 62861703 YCTQZRXYVNHGLO-GFCCVEGCSA-N 198.354 2.108 0 20 AEAD CCN1CCc2c(cccc2OC)C1 74448389 HTULSWHEWAUXCA-UHFFFAOYSA-N 191.274 2.073 0 20 AEAD CCCCNCCc1cscn1 82626155 COEVBJLYLHVQRS-UHFFFAOYSA-N 184.308 2.075 0 20 AEAD C[C@H](OC(=O)C1CC1)c1cccnc1 83293778 VWPHMYOYNNNGKI-QMMMGPOBSA-N 191.230 2.096 0 20 AEAD O=C(O)c1cccc(OCCCF)c1 83823376 XHUWPJNZLQVIGX-UHFFFAOYSA-N 198.193 2.123 0 20 AEAD C1CC(CC2CCNCC2)C1 84249683 WYLJDFLAFDILOA-UHFFFAOYSA-N 153.269 2.176 0 20 AEAD in-vitro Cc1ccccc1[C@H](C)[C@H](C)O 85658319 ZGNLCRHWTNJLNU-ZJUUUORDSA-N 164.248 2.479 0 20 AEAD C[C@H]1CCC[C@@H](NCc2ccon2)C1 86452625 PAJRXEDUOWTUDI-VHSXEESVSA-N 194.278 2.343 0 20 AEAD C/C=C/C(=O)N(C)[C@@H](C)CCC 86740720 ULGUGQJGYUAFMX-ORZBULNSSA-N 169.268 2.210 0 20 AEAD C1CCC2(C1)CCNCCS2 90397169 OCKYTFPIPCVBQG-UHFFFAOYSA-N 171.309 2.026 0 20 AEAD Cc1cc([C@@H](N)C2CC2)cc(C)c1O 95673196 BQQUHINKUFRMAS-NSHDSACASA-N 191.274 2.419 0 20 AEAD Cc1nc2c(cc1Cl)CCC2=O 95803676 LTXOAXXCYFQASB-UHFFFAOYSA-N 181.622 2.172 0 20 AEAD Cc1ccc2c(c1)C[C@@H](CO)CC2 108369018 CGJROVGJUDKLLE-JTQLQIEISA-N 176.259 2.092 0 20 AEAD CC(C)(C)CCCCC(N)=O 112932851 XASSBUWVBQOROQ-UHFFFAOYSA-N 157.257 2.078 0 20 AEAD C[C@H](O)c1cc2cnccc2s1 118229160 SBDLITQZSPBITO-LURJTMIESA-N 179.244 2.350 0 20 AEAD CN(C(=O)c1cccs1)C1CCC1 126343755 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PNITXKOGGBGRDG-UHFFFAOYSA-N 194.230 2.266 0 20 AEAD Cc1nnc(NC[C@H]2CCC[C@@H]2C)o1 306694361 SUKUJEYIKOVWAZ-IONNQARKSA-N 195.266 2.226 0 20 AEAD Cc1cn([C@@H](C)CC(C)C)nc1N 306964875 DUJMNWALQBGDLT-VIFPVBQESA-N 181.283 2.381 0 20 AEAD FCCN[C@H]1CCc2cc(F)ccc21 307106033 JFPAEELBOPKPJB-NSHDSACASA-N 197.228 2.372 0 20 AEAD C[C@H]1CC[C@@H](C(=O)NC2CCC2)C1 307295949 NYXWEIWFEMQTCT-DTWKUNHWSA-N 181.279 2.091 0 20 AEAD CSCCCSc1ncc[nH]1 307856823 CSTPXPPZLLCGST-UHFFFAOYSA-N 188.321 2.255 0 20 AEAD CC[C@@H](C)OC(=O)CC(C)(F)F 308067441 ZIESYSQHJUSIRS-ZCFIWIBFSA-N 180.194 2.373 0 20 AEAD C/C=C\C(=O)N(CC)CCC1CC1 308222894 MADDYSRSZAZFPW-HYXAFXHYSA-N 181.279 2.211 0 20 AEAD CC(C)CCNC(=O)C=C1CCC1 308255512 KIRASLKRKCZAFM-UHFFFAOYSA-N 181.279 2.259 0 20 AEAD CCC(CC)[C@H](O)CN[C@H]1CC[C@H]1C 308571098 BYZBCFIOENRXGM-ADEWGFFLSA-N 199.338 2.172 0 20 AEAD Oc1ccc(/C=C/c2ccncn2)cc1 308713582 RZOAVSZRWNSEFU-DAFODLJHSA-N 198.225 2.353 0 20 AEAD CCCc1noc([C@]2(C)C[C@H]2F)n1 335282232 VNHVMMQISHKIEM-HZGVNTEJSA-N 184.214 2.022 0 20 AEAD F[C@H]1CCC[C@@H](NCC2CC2)C1 335374733 ZOIIATIVBWXGDY-VHSXEESVSA-N 171.259 2.267 0 20 AEAD C[C@@H]1CCCN(CC2(O)CCC2)CC1 335679354 GLDHHZHPIOUQPL-LLVKDONJSA-N 197.322 2.023 0 20 AEAD CC[C@H]1CCCC[C@H]1C(=O)NC1CC1 336063915 OSSZTDOEUFLTKL-GXSJLCMTSA-N 195.306 2.481 0 20 AEAD CC[C@@H](NC1CCCC1)C(C)(C)O 378851437 FWSOMYZELRGQKQ-SNVBAGLBSA-N 185.311 2.068 0 20 AEAD CCOCCCS[C@H](C)C(C)=O 379337363 WUWIRQTXAPFQEM-SECBINFHSA-N 190.308 2.124 0 20 AEAD CC(C)(CC(=O)NC1CC1)C1CC1 382385672 KRXNNGNLTQOFEI-UHFFFAOYSA-N 181.279 2.091 0 20 AEAD CCC[C@H](C)N[C@@H](C)CC(C)(C)O 384951083 GDQVBIGRTXLXIP-UWVGGRQHSA-N 187.327 2.314 0 20 AEAD COCC[C@H](C)N(C)CC(C)(C)C 388585878 ICWBKLHPMNUYHF-JTQLQIEISA-N 187.327 2.389 0 20 AEAD CC[C@@H](C)NCC1(COC)CCC1 393726473 UEMNDEXDUCFBLN-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD CC(C)[C@H](CCO)NCCCC1CC1 394483961 AQNBWYIMLSVBLR-LBPRGKRZSA-N 199.338 2.173 0 20 AEAD CC[C@@H]1CN([C@H](C)CC(C)C)C[C@H]1O 400037113 KJXROIDJPURYES-IJLUTSLNSA-N 199.338 2.124 0 20 AEAD CC(C)[C@H](C)[S@](=N)(=O)C(C)C 536958602 QZYYEQHKWWFUPO-GZMMTYOYSA-N 177.313 2.486 0 20 AEAD CC(C)CC1(NC(=O)[C@H]2C[C@H]2C)CC1 620281238 PFBJLQSPHLBBFB-ZJUUUORDSA-N 195.306 2.337 0 20 AEAD COCCCCN(C1CC1)C1CC1 625839193 VLKDCMZVMGVJBL-UHFFFAOYSA-N 183.295 2.040 0 20 AEAD C/C=C/c1cn(C2CCCC2)nn1 656463970 RBBJLQQVAYLGLB-GORDUTHDSA-N 177.251 2.426 0 20 AEAD Cc1nc(-c2cnc[nH]2)sc1C 663219215 LCBSYBIGDGDJPZ-UHFFFAOYSA-N 179.248 2.150 0 20 AEAD CC(C)C[C@H](C)CNC1([C@@H](C)O)CC1 668700160 AVFLNMVXHKVSSF-WDEREUQCSA-N 199.338 2.172 0 20 AEAD CC[C@]1(C)CCN([C@@H](C)COC)C1 675186608 PEUWGVYDJWNNQM-WDEREUQCSA-N 185.311 2.143 0 20 AEAD CC[C@@H]1COC[C@H]1NCC1CCCC1 699472829 RJZOEWNSJRHASN-VXGBXAGGSA-N 197.322 2.191 0 20 AEAD CC/C=C/CNC1CC(SC)C1 706797595 XTZPUSUTMSNNEO-SNAWJCMRSA-N 185.336 2.436 0 20 AEAD C[C@@H](CC(=O)O)N[C@@H](C)CC1CCC1 710191169 OZFGVNVRDKURNO-IUCAKERBSA-N 199.294 2.018 0 20 AEAD C=C/C=C/CCn1ccnc1C 713721180 SWCKXXNAAQMZRA-SNAWJCMRSA-N 162.236 2.324 0 20 AEAD CC[C@@H]1C[C@H]1CNC(C)(C)COC 723051963 LPUQNJRZZASTCA-ZJUUUORDSA-N 185.311 2.047 0 20 AEAD CCONC(=O)CCCC1CCCC1 742512022 ULNXNMQIWLPJQA-UHFFFAOYSA-N 199.294 2.415 0 20 AEAD CCC(=O)CCN1CCC[C@H](CC)C1 753697039 KKTAOWBOAGHNBI-NSHDSACASA-N 197.322 2.478 0 20 AEAD CCN(C(=O)C1(F)CCCC1)C1CC1 771894183 PEWPBQRRGWJPEM-UHFFFAOYSA-N 199.269 2.280 0 20 AEAD CC(C)CONC(=O)[C@@H]1CC[C@@H](C)C1 776347528 OWZARBQKFIUCJF-NXEZZACHSA-N 199.294 2.126 0 20 AEAD C[C@H]1CC[C@@H]1N[C@H](C)C1CC1 824683530 NTJYAXIPKSLEHQ-XKSSXDPKSA-N 153.269 2.173 0 20 AEAD CCCCC[C@@H](C)NC1([C@H](C)O)CC1 827585767 PSFAGBWFGSNFKO-MNOVXSKESA-N 199.338 2.458 0 20 AEAD Cc1cn(CCSC(C)(C)C)nn1 853719483 XGISIIUYVMDLDH-UHFFFAOYSA-N 199.323 2.118 0 20 AEAD C/C=C(/CC)C(=O)N(C1CC1)C1CC1 862852926 YDTLSMLDVCAXBO-OQFOIZHKSA-N 193.290 2.496 0 20 AEAD CCON(CC)[C@@H](C)c1ccncc1 879796240 QIEKEZONGXPPSC-JTQLQIEISA-N 194.278 2.416 0 20 AEAD CC1CC(CSC2COC2)C1 901631811 PRPRFFWYDDWHPT-UHFFFAOYSA-N 172.293 2.165 0 20 AEAD CCCCNC[C@@](C)(O)[C@H](C)CC 906529643 QCXFLCKFFIPPOL-GHMZBOCLSA-N 187.327 2.173 0 20 AEAD C[C@H](CO)N[C@@H]1CCC[C@@H]1C(C)(C)C 924752427 OZVPXIWHKHHOIQ-OUAUKWLOSA-N 199.338 2.172 0 20 AEAD CC(C)OCCN1C[C@H]2CCC[C@H]1C2 934378897 ZTVUKHZBAKIYOW-RYUDHWBXSA-N 197.322 2.286 0 20 AEAD C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[C@@H]1F 1143430496 QHIBHYGLOUVAAR-JXUBOQSCSA-N 199.269 2.134 0 20 AEAD CC(C)CC[C@@H](O)CN[C@@H](C)C1CC1 1335969506 VWCXUABUCVXQDG-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD CC[C@@H](F)C(=O)NCC1(CC)CC1 1336388899 HZIPUZAUCWKNFW-MRVPVSSYSA-N 187.258 2.041 0 20 AEAD CC/C=C(/C)C(=O)NC/C=C/CC 1347897472 MDYVCMTVRWCCBF-QDJLDCPTSA-N 181.279 2.425 0 20 AEAD C[C@@H](NC(=O)C(F)F)c1ccccc1 3161317 YFJLWEFAFWRQMB-SSDOTTSWSA-N 199.200 2.129 0 20 AEAD CCC[C@H](C)NC(C)C 19881031 VYLJNLAHBYSUIO-QMMMGPOBSA-N 129.247 2.173 0 20 AEAD CC(=O)c1ccc(C(=O)OC(C)C)o1 31893704 JETGQVOAYCCKOI-UHFFFAOYSA-N 196.202 2.047 0 20 AEAD C[C@H]1CCCC[C@H]1Nc1cnn(C)c1 35737875 AXHIZQACSRCLPD-GXSJLCMTSA-N 193.294 2.411 0 20 AEAD Oc1cccc(CNCC2CCC2)c1 37179722 CJCKKRFOYPCGGK-UHFFFAOYSA-N 191.274 2.282 0 20 AEAD CCNC[C@@H]1CCCC[C@@H]1C 42857441 ZBELBTUFIGOKGM-UWVGGRQHSA-N 155.285 2.422 0 20 AEAD CC[C@@H](CO)N[C@H](C)c1ccsc1 50339522 XARUFENLZLSIKJ-SCZZXKLOSA-N 199.319 2.170 0 20 AEAD CC(C)CCCNCCOCC1CC1 53585259 XMHJNFICNPNTNA-UHFFFAOYSA-N 199.338 2.439 0 20 AEAD CC(C)CNc1nc(C(C)C)no1 53750943 UPQXIFMVWYWDRF-UHFFFAOYSA-N 183.255 2.261 0 20 AEAD Cc1ccc(F)cc1C1(O)CC1 62667290 IBCMBOSYRGPJBH-UHFFFAOYSA-N 166.195 2.116 0 20 AEAD CCNC(=O)c1coc2ccccc12 69906696 LJQZZCXCODDYMR-UHFFFAOYSA-N 189.214 2.183 0 20 AEAD CCC(=O)N[C@@H]1CCCC[C@@H]1CC 70226512 FPEPIELKKBXGCX-VHSXEESVSA-N 183.295 2.481 0 20 AEAD CC[C@](C)(CO)NCC1CCCCC1 70710466 HINVYQKLSJXDQE-GFCCVEGCSA-N 199.338 2.317 0 20 AEAD CC[C@@H]1Oc2cc(C)cc(C)c2[C@@H]1N 82759746 FGXLFHKWKPLNMR-JOYOIKCWSA-N 191.274 2.474 0 20 AEAD CC(C)(N)CN1CCCC(C)(C)CC1 83680820 JESYQRFXEYAJBU-UHFFFAOYSA-N 198.354 2.236 0 20 AEAD CCCC(=O)NCc1sccc1C 83860729 ZWCVHQHKWIWYJA-UHFFFAOYSA-N 197.303 2.473 0 20 AEAD Cc1cccc(NCC(C)(C)N)c1C 84453561 VSHIMJFREAOCKU-UHFFFAOYSA-N 192.306 2.453 0 20 AEAD Cc1ccc(C)c(N(C)C[C@H](C)N)c1 84453571 QXXASWCSYDCJBI-NSHDSACASA-N 192.306 2.087 0 20 AEAD CCCN[C@H](C)c1c(C)noc1C 86109618 PUPADGFXGFLMHA-SSDOTTSWSA-N 182.267 2.352 0 20 AEAD CCC[C@H](CC)NCCC(C)(C)O 86235806 MYMAQHQIAYCCPR-JTQLQIEISA-N 187.327 2.316 0 20 AEAD CCc1nc2cc(Cl)cc(N)c2[nH]1 106872688 XGZNEPGBMAVKQQ-UHFFFAOYSA-N 195.653 2.361 0 20 AEAD COC(C)(C)CN[C@H](C)C(C)(C)C 123122535 LGDVDTPONMJXCN-SECBINFHSA-N 187.327 2.436 0 20 AEAD CC1(NC(=O)c2ccccc2F)CC1 124376467 INMUQLXEMSMYLT-UHFFFAOYSA-N 193.221 2.108 0 20 AEAD C[C@H](N[C@H]1CCC[C@H]1C)c1ncc[nH]1 124782879 AIUIQRZGLSRALS-UTLUCORTSA-N 193.294 2.249 0 20 AEAD CC[C@H]1CCN(C(=O)NC(C)(C)C)C1 131024527 QRXINJISJJJTLY-VIFPVBQESA-N 198.310 2.226 0 20 AEAD CC1(NCc2cncs2)CCC1 159998768 UXWBQQNOCCLJOQ-UHFFFAOYSA-N 182.292 2.175 0 20 AEAD CC(C)Oc1ccc(F)c(C=O)c1 167476697 LIMAMRDQMBPHKT-UHFFFAOYSA-N 182.194 2.425 0 20 AEAD 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197.278 2.091 0 20 AEAD CCNc1ccc2c(c1)COC2 198944558 DUQOYBBUHRXEPJ-UHFFFAOYSA-N 163.220 2.149 0 20 AEAD C1=CC[C@@H](NC[C@H]2CCSC2)CC1 224437919 UWJQPVNVDDZWEZ-GHMZBOCLSA-N 197.347 2.438 0 20 AEAD Cc1cnn2c1NCC[C@H]2C(C)C 232690006 JKDDMVWNNSMUHH-VIFPVBQESA-N 179.267 2.204 0 20 AEAD CC[C@H](CCO)CN[C@H]1CCC[C@H]1C 251090672 OLQPCFWLJQDDBP-UTUOFQBUSA-N 199.338 2.173 0 20 AEAD C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)C2)CCO1 252739116 GLDUAAOMSKANBD-RHYQMDGZSA-N 197.322 2.332 0 20 AEAD Clc1ncc(-c2ccncc2)o1 258546285 NYRVRHYWGPDFDI-UHFFFAOYSA-N 180.594 2.390 0 20 AEAD CSc1ccc(-c2nnc(C)o2)o1 306273244 YUORHDLNZAVEID-UHFFFAOYSA-N 196.231 2.360 0 20 AEAD CO[C@@H](C)CN1CCC[C@H](C)CC1 306489729 MGRLOBVPFILOMQ-QWRGUYRKSA-N 185.311 2.143 0 20 AEAD Cc1cc(N[C@@H]2CC[C@@H](F)C2)ncn1 306674976 RQHJPXFEMXMBHL-RKDXNWHRSA-N 195.241 2.088 0 20 AEAD C[C@H]1CSCCN1CC[C@@H](C)F 307213130 WYFJZFKYORHBSQ-BDAKNGLRSA-N 191.315 2.172 0 20 AEAD FC1(F)CC(Nc2ccccn2)C1 307317053 KBOWRZFLPWAVEH-UHFFFAOYSA-N 184.189 2.291 0 20 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198.354 2.153 0 20 AEAD Cc1cocc1C(=O)N(C)CC(C)C 527878955 HTQGATHTBRDMDW-UHFFFAOYSA-N 195.262 2.316 0 20 AEAD CC1(C)C[C@@]2(CCC=CCO2)CO1 536952242 BQCHTPRLZQHCIF-NSHDSACASA-N 182.263 2.291 0 20 AEAD CSCc1cn(CC=C(C)C)nn1 603178922 KXKBQUCJUSAQRB-UHFFFAOYSA-N 197.307 2.107 0 20 AEAD CC(C)CN1CC(C)(C)CC[C@H]1CO 621378406 WGWNJJKVHRALKX-NSHDSACASA-N 199.338 2.125 0 20 AEAD C[C@H]1CCCC[C@H]1Sc1cnn[nH]1 629160297 OZEUMMOUCGDQRT-JGVFFNPUSA-N 197.307 2.476 0 20 AEAD CC1(C)C[C@@H]1NC[C@H]1C[C@@H]2C[C@@H]2C1 638407817 XJULONIQVSFDTP-VLEAKVRGSA-N 179.307 2.421 0 20 AEAD CCCCCn1ccc(OCC)n1 641729598 IREZTPWCOOBDTN-UHFFFAOYSA-N 182.267 2.472 0 20 AEAD CC(C)N(CC1CC1)C(=O)C1CCC1 642250315 MCVOQEGYVOMFCN-UHFFFAOYSA-N 195.306 2.434 0 20 AEAD CO[C@@H](CC(C)C)CN1CC[C@H](C)C1 642683231 HLLFTZPMBXCIKH-RYUDHWBXSA-N 199.338 2.389 0 20 AEAD CC[C@H](C)CN(C)C[C@H](CC)OC 642687132 OMDWZLQTKDNRKK-QWRGUYRKSA-N 187.327 2.389 0 20 AEAD C1=CCN(CCC2CCOCC2)CC1 645000120 RIOIKUPDCIIBSL-UHFFFAOYSA-N 195.306 2.065 0 20 AEAD C[C@@H]1C[C@H](N[C@@H]2CCC23CCC3)CO1 647350625 DLKHUDZJKVGVCD-OUAUKWLOSA-N 195.306 2.086 0 20 AEAD CCC[C@@H](C)NC(=O)c1ccsn1 648117039 WUOXHAFSFFCARM-SSDOTTSWSA-N 198.291 2.062 0 20 AEAD CC(C)=CCCN1CC[C@H](F)C1 660693293 XAKCHOJUEUPMIF-JTQLQIEISA-N 171.259 2.387 0 20 AEAD C[C@@H](C(=O)N[C@H]1CCC[C@H]1C)C1CC1 673899341 GTKNWHLJYIUQRL-KKZNHRDASA-N 195.306 2.337 0 20 AEAD CC[C@H](O)CN1CC[C@@H](C)C[C@H](C)C1 676905505 VHKWJZVXMSZDIE-WOPDTQHZSA-N 199.338 2.125 0 20 AEAD CN(CCc1nccs1)CC1CC1 677062623 QORCJAWPSOLPEX-UHFFFAOYSA-N 196.319 2.027 0 20 AEAD CCN(CCN1CCCC1)CC(C)C 687715861 YHOJVZVCLJEPHN-UHFFFAOYSA-N 198.354 2.060 0 20 AEAD C/C=C/C=C/C(=O)N[C@@H]1CC[C@@H](C)C1 700629756 KEWQHEYNJZQKDK-MOGOGANBSA-N 193.290 2.424 0 20 AEAD CCCCN(C)[C@@H]1CCN(C)C[C@@H]1C 777400702 BUJPCWVZZSDSOG-NWDGAFQWSA-N 198.354 2.059 0 20 AEAD CC(C)CCN1Cc2ccncc2C1 809565154 VNDRBNWUPJMYQM-UHFFFAOYSA-N 190.290 2.443 0 20 AEAD C[C@@H](CC(C)(C)C)NCCNC1CC1 817953531 NDCZVTXIFCVYRP-JTQLQIEISA-N 198.354 2.153 0 20 AEAD CCCCN[C@](C)(CC)CC(=O)O 829401364 GAENWTRVAUGYII-SNVBAGLBSA-N 187.283 2.020 0 20 AEAD CC1(C)C[C@H]1CNC(=O)OC1CCC1 830480116 MJYZRXWJUNOHCQ-QMMMGPOBSA-N 197.278 2.311 0 20 AEAD COC(=O)CSCCCC1CC1 865347265 WDIYCWLLZAXVQV-UHFFFAOYSA-N 188.292 2.083 0 20 AEAD CC(C)[C@@H](F)C(=O)NC[C@@H]1C=CCC1 881497067 RZPLCASPZYTDNL-NXEZZACHSA-N 199.269 2.063 0 20 AEAD C[C@H](c1ccccn1)N1C[C@@H]2C[C@H]2C1 886344762 KZHBBLTXJKKYTK-VWYCJHECSA-N 188.274 2.094 0 20 AEAD CCCOC(=O)c1cccc(F)c1O 910189878 TVHNDXGZQVEIGU-UHFFFAOYSA-N 198.193 2.098 0 20 AEAD CC[C@H](C)CN1CCn2cccc2C1 932528814 QKWILSAIJUGROQ-NSHDSACASA-N 192.306 2.350 0 20 AEAD CC[C@@H](C)[C@H](C)NCCCOC 20142963 DTQCXQLGVDWRMV-ZJUUUORDSA-N 173.300 2.047 0 20 AEAD CCc1ccc(OC)cc1OC 32162443 XRJYMHASJFSHRH-UHFFFAOYSA-N 166.220 2.266 0 20 AEAD in-vitro CCCCCC[C@H](C)NC(N)=O 34593208 SMUYODILOYMDLK-QMMMGPOBSA-N 172.272 2.014 0 20 AEAD c1ccc(SCC2OCCO2)cc1 38950913 WKLHBMAQBPQOKU-UHFFFAOYSA-N 196.271 2.152 0 20 AEAD C[C@@H](NC1CCC1)c1ccco1 44480659 FQQVOPLLYOQMDP-MRVPVSSYSA-N 165.236 2.483 0 20 AEAD CC(C)(C)c1ccccc1NCCO 49807177 ZKWLQJOCUZYSIL-UHFFFAOYSA-N 193.290 2.388 0 20 AEAD CC(C)NC[C@H](C)N1CCC[C@@H](C)C1 52381125 IIVOHGNLDYMRFV-NEPJUHHUSA-N 198.354 2.105 0 20 AEAD C[C@@H](NC[C@@H]1CCOC1)C1CCCC1 54080504 UUEBDUIQBDLEFS-MNOVXSKESA-N 197.322 2.191 0 20 AEAD Cc1cccc(CCC2(O)CC2)c1 54346464 OSZSLZBHQISNRJ-UHFFFAOYSA-N 176.259 2.453 0 20 AEAD Cc1nccc(NCCC(C)C)n1 54935685 ZKWYPIQIPDRJLB-UHFFFAOYSA-N 179.267 2.243 0 20 AEAD Cc1ccc([C@H]2CCCCN2)cn1 62950640 VYGTYEJVJKDUGQ-LLVKDONJSA-N 176.263 2.205 0 20 AEAD CC(=O)N[C@H]1CCCC(C)(C)C1 80775473 NGEWFMFERNDEDU-VIFPVBQESA-N 169.268 2.091 0 20 AEAD OCCCCCSc1ccncc1 81161238 HSVFZENGXXVATC-UHFFFAOYSA-N 197.303 2.336 0 20 AEAD NC[C@H]1CCCC[C@H]1NC1CCCC1 84215414 RTUFAYPAELAHGF-ZYHUDNBSSA-N 196.338 2.036 0 20 AEAD Cc1ccncc1[C@H]1CCC[C@H]1O 85442145 STWHNGHOKLBOMJ-MWLCHTKSSA-N 177.247 2.018 0 20 AEAD CC(C)N1CCc2cc(O)ccc21 98210101 ZJOYDCWQIUEJKS-UHFFFAOYSA-N 177.247 2.163 0 20 AEAD CCC(=O)[C@@H]1CC(C)(C)CCC1=O 113797939 ZXJGOLMRNGHJCU-QMMMGPOBSA-N 182.263 2.361 0 20 AEAD C1=C[C@H](N[C@H]2CCSC2)CCC1 130695192 GXVYFWRGTGAGMV-UWVGGRQHSA-N 183.320 2.190 0 20 AEAD CCC(=O)Nc1ccc(OC)cc1F 144478426 KOHKMXDJRAQUOI-UHFFFAOYSA-N 197.209 2.183 0 20 AEAD CNc1nc(-c2cscn2)cs1 147040910 ZJOHAKAELJHNEY-UHFFFAOYSA-N 197.288 2.308 0 20 AEAD CCc1cccc([C@H]2C[C@H]2C(=O)O)c1 204290575 KSYQQQMCWSFKFL-GHMZBOCLSA-N 190.242 2.437 0 20 AEAD C[C@H]1CCN(CCC2CCOCC2)C1 205778755 OTIITIDBLMZWIF-NSHDSACASA-N 197.322 2.145 0 20 AEAD C[C@H]1NC(=O)c2ccc(Cl)cc21 221308591 FWMUGNLCTKEPNH-RXMQYKEDSA-N 181.622 2.144 0 20 AEAD C[C@H](CO)CN[C@H]1CCCCC[C@@H]1C 225555093 YTGDXQMTXNHFRA-SRVKXCTJSA-N 199.338 2.173 0 20 AEAD CC1(N[C@H]2CCOC3(CCC3)C2)CC1 228845706 YJILHQSSALNKAS-JTQLQIEISA-N 195.306 2.230 0 20 AEAD Cc1cc(NC2CCC2)ccn1 229566328 ZWSYJJXQKBGYSU-UHFFFAOYSA-N 162.236 2.354 0 20 AEAD C[C@H](N[C@H](CCO)C(C)(C)C)C1CC1 229575166 XGRTXYVDLTUZPB-GXSJLCMTSA-N 199.338 2.172 0 20 AEAD CC(C)=CCN[C@H]1CCOC(C)(C)C1 232631350 MKCUBWIIBNNNCN-NSHDSACASA-N 197.322 2.500 0 20 AEAD COC(C)(C)[C@@H](C)NCC1(C)CC1 301030690 UQZISWQAFXMWCQ-SECBINFHSA-N 185.311 2.190 0 20 AEAD CC(C)Nc1cnn(CC2CC2)c1 306173135 ZXEUDDRVLXVCGU-UHFFFAOYSA-N 179.267 2.113 0 20 AEAD CC[C@@H](C)N(C)c1ncc(C)cn1 306435525 FQBXPYIXHNUQOY-SECBINFHSA-N 179.267 2.020 0 20 AEAD CC(C)CCN1CCCOC[C@@H]1C 306482293 MFKPXEWFLQMITB-NSHDSACASA-N 185.311 2.143 0 20 AEAD CCCNC(=O)[C@H]1CCC(C)(C)C1 306503142 HQRBYHHEFZGNHH-VIFPVBQESA-N 183.295 2.339 0 20 AEAD C[C@H]1CSC[C@@H]1NCC(C)(C)C 306552368 GFGIJRCFXFBPHR-IUCAKERBSA-N 187.352 2.374 0 20 AEAD CC(C)Sc1nccn2ccnc12 306647375 CCMUCYMUVMKNEW-UHFFFAOYSA-N 193.275 2.230 0 20 AEAD Cc1cnccc1NCC(C)(F)F 307255759 ZTPOZJFCHNSCCF-UHFFFAOYSA-N 186.205 2.457 0 20 AEAD C/C=C(/C)C(=O)N1CC[C@H](C)[C@@H]1C 307300173 SEQHIQNMJOVTRQ-VAJAEUGUSA-N 181.279 2.210 0 20 AEAD C[C@H]1C[C@H]1CC(=O)Nc1nccs1 307697734 MGUCHOHKGWUMAU-BQBZGAKWSA-N 196.275 2.128 0 20 AEAD CC(C)c1noc(N[C@H](C)C2CC2)n1 307732355 LKAQWRAARFDLEC-SSDOTTSWSA-N 195.266 2.403 0 20 AEAD CN(CC(F)F)CC1CCCC1 307990386 STULNPCRUDZTOJ-UHFFFAOYSA-N 177.238 2.374 0 20 AEAD Cn1nccc1CSCC1CC1 308095966 YNYRXJHPTHONFG-UHFFFAOYSA-N 182.292 2.063 0 20 AEAD CC/C=C\CCN1CCOC[C@H]1C 308189739 MTWCEOPZYFUQPY-DOGVGXBMSA-N 183.295 2.063 0 20 AEAD CCCC[C@@H](C)N(C)C[C@@H](O)CC 308200122 PHQHKOGYDJVWEX-MNOVXSKESA-N 187.327 2.268 0 20 AEAD CO[C@H](C)[C@@H](C)NCCC=C(C)C 308424015 QBZCCHQJSWSRMJ-GHMZBOCLSA-N 185.311 2.356 0 20 AEAD CO[C@H](C)CCNC1CC2(CCC2)C1 308521480 OXOSNWPHZDLWIP-SNVBAGLBSA-N 197.322 2.334 0 20 AEAD CCOCCCNC1[C@@H](C)CC[C@@H]1C 308539382 UEVNGTIAHHKSSS-QWRGUYRKSA-N 199.338 2.437 0 20 AEAD CCC[C@H](NCCOC)C1CCC1 322403442 SUFKUQOHYGYJEA-NSHDSACASA-N 185.311 2.191 0 20 AEAD CCC[C@@H](NC(=O)CC)C1CCC1 324977951 RMMSZDFAQYNFNM-SNVBAGLBSA-N 183.295 2.481 0 20 AEAD O=C(NCC1CC1)C1CC2(CCC2)C1 335344037 SIFRKAYBZUTDFC-UHFFFAOYSA-N 193.290 2.093 0 20 AEAD Cc1n[nH]cc1CN1[C@@H](C)CC[C@@H]1C 335945907 MPHPEIUSLDVCGW-IUCAKERBSA-N 193.294 2.091 0 20 AEAD Cc1ccnc(N(C)[C@H](C)C(C)C)n1 335996462 PVXSXTCTRZVULB-SNVBAGLBSA-N 193.294 2.266 0 20 AEAD C[C@H](NC/C=C/C1CC1)c1ncc[nH]1 378850483 DWDZMLVTEYZUCS-HPOULIHZSA-N 191.278 2.027 0 20 AEAD CCCCC[C@@H](C)NCCN1CCC1 379584610 OMHPTTKLJPBSRN-GFCCVEGCSA-N 198.354 2.251 0 20 AEAD CC(C)[C@@H](C)N[C@@H](CO)C1CCCC1 379599392 JIURLTJBSLMXEE-PWSUYJOCSA-N 199.338 2.172 0 20 AEAD CCOC(=O)CC[C@H](C)SC 388085167 KIOTTXBTBGIUIW-ZETCQYMHSA-N 176.281 2.081 0 20 AEAD CO[C@@](C)(CN[C@@H](C)C1CC1)C1CC1 389231559 UBFFMENRQKUFHA-CABZTGNLSA-N 197.322 2.190 0 20 AEAD CN(CCC1CC1)C(=O)NC(C)(C)C 389286948 WFPIAHNTEIHNEX-UHFFFAOYSA-N 198.310 2.226 0 20 AEAD CCC(CC)CN[C@@H](C)[C@@H]1CCCN1 400535475 TUMUDNKKTWADQR-JQWIXIFHSA-N 198.354 2.153 0 20 AEAD Cc1cncc(NCC2CC(C)C2)n1 621354433 JXMHZCVBOTYXIS-UHFFFAOYSA-N 191.278 2.243 0 20 AEAD COCCN1CCC[C@H]1CC(C)C 623436648 AEYLCXZEHQIZNK-NSHDSACASA-N 185.311 2.143 0 20 AEAD C[C@@H]1CCC[C@H]1N=c1cc[nH]cc1F 641348206 VXBFCCAKAMEIOD-PSASIEDQSA-N 194.253 2.243 0 20 AEAD C[C@H](NC(=O)[C@@]12CCC[C@@H]1C2)C1CC1 643299266 CHNJPRDTPFPVHU-MKPLZMMCSA-N 193.290 2.091 0 20 AEAD C[C@H](O)CCN1CC[C@H](C)C[C@H](C)C1 649394441 DUFYMFQBHWWQRY-SRVKXCTJSA-N 199.338 2.125 0 20 AEAD CC(C)N(CC[C@@H](C)O)CC1CCC1 649504639 ZRLQGOAFNXOCLQ-LLVKDONJSA-N 199.338 2.268 0 20 AEAD CC(C)=CCNC(=O)NC1(C)CCC1 682886724 DLQDCIGUKMCQEO-UHFFFAOYSA-N 196.294 2.194 0 20 AEAD CCCCN(CCCO)C[C@@H]1C[C@H]1C 685460586 RQLUQLQFRWWGEQ-NEPJUHHUSA-N 199.338 2.127 0 20 AEAD CC(C)=CC(=O)NCC1CC(C)C1 691026042 JPAGNUXVIUBBFE-UHFFFAOYSA-N 181.279 2.115 0 20 AEAD CCCCCN[C@@H]1COC[C@H]1CC 699431473 RMDKQOYKYBTABU-GHMZBOCLSA-N 185.311 2.191 0 20 AEAD CC(C)C[C@H](C)CNC1CSC1 706508267 ZKYROGQGZLDDJE-VIFPVBQESA-N 187.352 2.374 0 20 AEAD CONC(=O)C[C@H]1CCCCC1(C)C 751587194 SJADKNMWXGKYCD-SECBINFHSA-N 199.294 2.271 0 20 AEAD CC[C@H]1CCN(C(=O)OCC2CC2)C1 785128563 HFOQJDREOXGXHV-VIFPVBQESA-N 197.278 2.265 0 20 AEAD CCCCC(=O)OC[C@]1(C)C[C@H]1F 822088064 HYGOSTRHWYROMU-SCZZXKLOSA-N 188.242 2.468 0 20 AEAD CC(C)(NC(=O)OC1CCC1)C1CC1 830681057 VWYIFAPGISAZIR-UHFFFAOYSA-N 197.278 2.454 0 20 AEAD C[C@H]1CN(C(=O)OC2CCC2)C[C@@H]1C 830751379 VODUJTYEGPJXRQ-IUCAKERBSA-N 197.278 2.263 0 20 AEAD O=C(NCCC1CCC1)OC1CCC1 830834624 ZUXQROJWPGQZKS-UHFFFAOYSA-N 197.278 2.455 0 20 AEAD Cc1ccncc1-c1cn2c(n1)CCC2 906186182 UWUZVVDTVBUXHD-UHFFFAOYSA-N 199.257 2.200 0 20 AEAD CCCCN[C@H](C)c1cc(OC)no1 924530613 DGKIIVZXYDBBSV-MRVPVSSYSA-N 198.266 2.134 0 20 AEAD CC[C@H](C)N(CCO)CC1CC(C)C1 930488955 NLGURNTXVPURLP-CXQJBGSLSA-N 199.338 2.125 0 20 AEAD c1c[nH]c(S[C@H]2CCSC2)n1 1333283250 HGFOKPCBAPVLON-LURJTMIESA-N 186.305 2.007 0 20 AEAD CCCCCOc1ccc(N)cn1 33648079 ZHHNNJUALXMOPP-UHFFFAOYSA-N 180.251 2.233 0 20 AEAD CC[C@@H](C)S[C@@H](C)CC(=O)OC 35741057 GCSLDBMMYHMMQW-SFYZADRCSA-N 190.308 2.470 0 20 AEAD CC[C@@H](Cc1ccccc1)C(=O)OC 39258792 HMZORGBBZUEAFG-NSHDSACASA-N 192.258 2.428 0 20 AEAD CCOc1ccc(NC(C)=O)cc1F 74983862 IJDGXRWAKGSRLF-UHFFFAOYSA-N 197.209 2.183 0 20 AEAD CC[C@H](NCc1ccncc1)C1CC1 83054586 KMRHFPMKRFWESK-LBPRGKRZSA-N 190.290 2.360 0 20 AEAD CNCC1CC(c2ccccc2)C1 83181964 JIMYDSRHAQXCMN-UHFFFAOYSA-N 175.275 2.400 0 20 AEAD Fc1ccc(CNc2ccon2)cc1 83341729 REVBGUDFDIBKGT-UHFFFAOYSA-N 192.193 2.426 0 20 AEAD CCCC[C@H](C)N[C@@H](C)C(C)(C)O 83727825 RDJNQFSAUOWCFE-UWVGGRQHSA-N 187.327 2.314 0 20 AEAD CC1(C)C(c2cc(N)no2)C1(C)C 85711203 ZDVNGOIXFVKXBS-UHFFFAOYSA-N 180.251 2.406 0 20 AEAD CC(C)[C@@H](CO)N[C@@H](C)C1CCCC1 86121222 NCUKAILTOYWSQO-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD CC1(C)CC[C@@H]([C@@H]2CCCCN2)C1=O 86865402 FHCFXBXGLZZNAL-UWVGGRQHSA-N 195.306 2.134 0 20 AEAD C1CCC(=C2CCCNC2)C1 86881343 BSKOABHMNMGSMF-UHFFFAOYSA-N 151.253 2.240 0 20 AEAD CCC[C@H](CC)NC(=O)N(C)CC 122076308 IWAPOSKGIVXJRJ-VIFPVBQESA-N 186.299 2.226 0 20 AEAD CC[C@H](C)C[C@@H](N)C(F)(F)F 126180492 WOYOLWDMXCMTMW-NTSWFWBYSA-N 169.190 2.312 0 20 AEAD COCC[C@@H](C)NC[C@@H](C)C1CC1 130178161 MTSIMSNWNJAXOR-NXEZZACHSA-N 185.311 2.047 0 20 AEAD 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CC[C@H](O)CN(C)C1CCC(C)CC1 42488023 YBMZNKVGTRYINZ-MCIGGMRASA-N 199.338 2.268 0 20 AEAD C[C@H](NCCCCO)c1ccccc1 43445266 UHPVSMUBONPSMF-NSHDSACASA-N 193.290 2.110 0 20 AEAD C=CC(=O)N[C@@H](C)C1CCCCC1 52340625 QYZRGBXUPPZFKT-VIFPVBQESA-N 181.279 2.257 0 20 AEAD CC[C@H](C)NCc1cncs1 54769798 JRZLBCDTYVMAMZ-ZETCQYMHSA-N 170.281 2.031 0 20 AEAD CCC[C@@H](C)Nc1ccnc(C)n1 54935649 WETWNJRQYMUNEM-MRVPVSSYSA-N 179.267 2.386 0 20 AEAD N[C@@H]1C[C@H]1c1ccc2ncccc2c1 69050951 JVYGEEJNKUZZBI-WDEREUQCSA-N 184.242 2.049 0 20 AEAD CCCC(=O)NCc1ccc(C)s1 70226977 NDMKFNTUUFXXKD-UHFFFAOYSA-N 197.303 2.473 0 20 AEAD CC(C)CC[C@H](N)C(F)(F)F 74332060 PSJLZCWTXCPPPU-LURJTMIESA-N 169.190 2.312 0 20 AEAD CC(C)[C@@H](N)c1ccc(O)c(F)c1 75854439 MTHQSBMKGPIHCX-SNVBAGLBSA-N 183.226 2.187 0 20 AEAD CCC(O)(CC)CN[C@H]1CC[C@H](C)C1 83463864 WNTRGCWWFJHKOR-QWRGUYRKSA-N 199.338 2.316 0 20 AEAD CC[C@@H]1CCC[C@@](O)(CCN)CC1 85923125 GNOIWSGIRHEEDP-MNOVXSKESA-N 185.311 2.057 0 20 AEAD CC[C@@H](C)[C@@H](C)NCCC(C)(C)O 86235499 CDEMFSVMKWWPPL-NXEZZACHSA-N 187.327 2.172 0 20 AEAD CC[C@@H](O)CN1CCC(CC)(CC)C1 87257478 VEASJBBIAGILHI-LLVKDONJSA-N 199.338 2.269 0 20 AEAD CC1CCC(N[C@@H](C)CCCO)CC1 87358861 HHLPEWLXPDKVHJ-CXQJBGSLSA-N 199.338 2.316 0 20 AEAD COc1ccc2[nH]c(C)c(C)c2n1 95803754 MCLOJIWEBNABEE-UHFFFAOYSA-N 176.219 2.188 0 20 AEAD O=C1CCc2c(Cl)cc(O)cc21 104466021 VLFBVKKLFXITMO-UHFFFAOYSA-N 182.606 2.175 0 20 AEAD C[C@@H]1CCN(CCC2CCOCC2)C1 112938839 OTIITIDBLMZWIF-LLVKDONJSA-N 197.322 2.145 0 20 AEAD CC[C@@H]1CCC[C@@H]1NCC1(O)CCC1 133442896 CPONFYOYQQEWQY-MNOVXSKESA-N 197.322 2.070 0 20 AEAD CC[C@@H](COC)Nc1cncc(C)c1 134343327 SOUSPOLJNVILKY-JTQLQIEISA-N 194.278 2.227 0 20 AEAD CCCN1CCOc2cc(F)ccc21 141175977 MASFDQXRGPWIDB-UHFFFAOYSA-N 195.237 2.435 0 20 AEAD CO[C@H](C)CN[C@H](C)CCC(C)C 167078855 AMTWWAPBLPCSQO-GHMZBOCLSA-N 187.327 2.436 0 20 AEAD CC(C)=C[C@H]1CCCCN1 212084026 QJQFNLSMGWWICY-SECBINFHSA-N 139.242 2.095 0 20 AEAD C/C=C\C(=O)Nc1ccc(F)cc1F 215795752 RFZASMFNVWSAEY-IHWYPQMZSA-N 197.184 2.479 0 20 AEAD CCC/C=C/C(=O)OC(C)C 219640087 XWRDXCKLPULYCO-VOTSOKGWSA-N 156.225 2.294 0 20 AEAD CC[C@H](C)[C@@H]1CCC[C@H]1O 222307782 SQITZQXJIFQULD-XHNCKOQMSA-N 142.242 2.194 0 20 AEAD C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)C1CC1 226515559 DYSLFILQOCYUFT-YWVKMMECSA-N 195.306 2.337 0 20 AEAD Cc1occc1SCCCO 229513780 RUTQVHXAYKYEJR-UHFFFAOYSA-N 172.249 2.063 0 20 AEAD N[C@@H](CF)c1ccc(Cl)cc1F 238573911 KIAKMEORVKJJQL-QMMMGPOBSA-N 191.608 2.448 0 20 AEAD CCN(CCN)CCCC(C)(C)C 300801344 DYZOKDPFQRAIJG-UHFFFAOYSA-N 186.343 2.093 0 20 AEAD CCc1nnc(-c2scnc2C)o1 306292367 VAXMZXMUKAPQRS-UHFFFAOYSA-N 195.247 2.064 0 20 AEAD C[C@H](NC1CC1)[C@H]1CC1(C)C 306501392 AQFUSTDWVNAAOX-IONNQARKSA-N 153.269 2.173 0 20 AEAD C[C@H]1CC[C@@H](NC(=O)CC2(C)CC2)C1 306658776 ABPZNFMHNYKZHJ-VHSXEESVSA-N 195.306 2.481 0 20 AEAD COC[C@H](C)N1CCC[C@@H](C)CC1 306953322 HYWJCUKSVCWCJO-MNOVXSKESA-N 185.311 2.143 0 20 AEAD CC(C)=CCSc1nnc(C)o1 307329712 XGYXGFVNCOUZFY-UHFFFAOYSA-N 184.264 2.436 0 20 AEAD CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C 307582277 UQEGMJOMQLCWJL-OPRDCNLKSA-N 181.279 2.043 0 20 AEAD CC(C)[C@@H]1CCN1CC1CC1 307751347 NRHPFMXZWGOWHP-JTQLQIEISA-N 153.269 2.127 0 20 AEAD Cc1cnc(N[C@@H]2C=CCCC2)nc1 307761281 YSJKNTNNCAKQQJ-SNVBAGLBSA-N 189.262 2.306 0 20 AEAD C[C@@H](OC(=O)CC1CC1)C1CC1 307964689 ZYWNXVBZWPQODR-SSDOTTSWSA-N 168.236 2.128 0 20 AEAD CC[C@@H](C)NC(=O)NCC=C(C)C 308285372 DDXHAPRAOVHTDJ-SECBINFHSA-N 184.283 2.050 0 20 AEAD CCC/C=C\C(=O)N[C@@H](C)C1CC1 308309219 QDZQDAQMKGVHEU-UDIARPCQSA-N 181.279 2.257 0 20 AEAD CC[C@H](C)[C@@H](C)N[C@H](CO)CC1CC1 308631262 ZBGFLLMZSTVKLQ-UMNHJUIQSA-N 199.338 2.172 0 20 AEAD Cc1cc([C@H](C)NCC(C)C)nn1C 308643775 GHZXRMNANNGGCP-JTQLQIEISA-N 195.310 2.035 0 20 AEAD C[C@H](CN(C)CCO)C1CCCCC1 310466959 HEUMLJDGSCXZBO-LLVKDONJSA-N 199.338 2.127 0 20 AEAD O[C@H]1C[C@@H](CSC2CCCC2)C1 334974735 MJZUAVWXPVSCJO-DTORHVGOSA-N 186.320 2.433 0 20 AEAD CCCN(C)C(=O)C1CC2(CCC2)C1 335361238 RKVVUPVTSYLLOX-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD C[C@@H]1CCCCN(CCC(C)(C)O)C1 335794207 XJZSZXKYOYOEQD-LLVKDONJSA-N 199.338 2.269 0 20 AEAD CC[C@@H]1[C@@H](C)CCN1C(=O)N(C)CC 335955845 SAHGDJOOLNNYSE-VHSXEESVSA-N 198.310 2.179 0 20 AEAD CC(C)[C@H]1CCCN([C@@H](C)C(=N)O)C1 336183999 PKMYZOJASNMUMV-UWVGGRQHSA-N 198.310 2.278 0 20 AEAD Cc1cc(CN2C[C@H](C)[C@@H](C)C2)no1 336265204 RXHIFKYBBQHYDE-IUCAKERBSA-N 194.278 2.071 0 20 AEAD CCCN1C[C@H](C)S[C@H](C)C1 336553335 LORYYTRNKCXFLF-DTORHVGOSA-N 173.325 2.222 0 20 AEAD Cc1ncc(CN(C)C2CCC2)s1 336631457 TTZOMORYCMETSC-UHFFFAOYSA-N 196.319 2.436 0 20 AEAD CC[C@H](C)CCC(=O)N(C)CC 379315960 VWSZQVFJRWOYJK-VIFPVBQESA-N 171.284 2.291 0 20 AEAD CCC[C@@H]1C[C@H]1C(=O)OCCCF 379376236 SJTVTZFAVAPDMW-RKDXNWHRSA-N 188.242 2.325 0 20 AEAD CCCN(CCCO)CC(C)(C)C 379403431 PIALOBHYFUJJKY-UHFFFAOYSA-N 187.327 2.127 0 20 AEAD C[C@H]1C[C@H]1C(=O)OCc1ccsc1 379415929 QNRFILCCFJNTHY-IONNQARKSA-N 196.271 2.447 0 20 AEAD CC(C)C[C@H](C)C(=O)N[C@@H](C)CF 379419146 XKKFAFSZRMQGRD-IUCAKERBSA-N 189.274 2.143 0 20 AEAD Cc1n[nH]c(=N[C@H](C)CCC(C)C)o1 379578130 SRTXSCCXWOPVTQ-MRVPVSSYSA-N 197.282 2.037 0 20 AEAD CC[C@H]1CC[C@H]1NCC(O)(CC)CC 379611397 UKVVFYLHPXGFQE-WDEREUQCSA-N 199.338 2.316 0 20 AEAD CCC1(NCCC[C@H](C)O)CCCC1 382582434 WHDKMEFRNRXSNZ-NSHDSACASA-N 199.338 2.460 0 20 AEAD CCCCC[C@H]1CCCN1C(N)=O 388345927 MCWZWEYEKUQIGQ-VIFPVBQESA-N 184.283 2.110 0 20 AEAD CCN(C(=O)/C=C/SC)C(C)C 388398029 KMIQLLDOXAWFQI-VOTSOKGWSA-N 187.308 2.120 0 20 AEAD CCS[C@@H](C)c1nnc(CC)o1 388405837 SKFYHRARWFAJKB-LURJTMIESA-N 186.280 2.446 0 20 AEAD CC[C@@H](C)COC(=O)/C=C/SC 388502301 MPRSOSTZIAXKJQ-HQZHTGGTSA-N 188.292 2.452 0 20 AEAD CCC(CC)CNCCC1(CO)CC1 395926912 KDMSDMMEVQRYHI-UHFFFAOYSA-N 199.338 2.175 0 20 AEAD C[C@@H]1C[C@@H](NCCC(C)(C)C)CO1 401854811 MZAHAUFUPGFLMG-NXEZZACHSA-N 185.311 2.190 0 20 AEAD Cc1cccnc1CSC[C@H](C)O 591132525 KYMKVNIEPADPRC-VIFPVBQESA-N 197.303 2.004 0 20 AEAD CC[C@@H](C)[C@H]1CCCCN1CCCO 606433855 YHEXYUYNMKSINF-VXGBXAGGSA-N 199.338 2.269 0 20 AEAD CC(C)N(CC1(C)COC1)C1CCC1 608564437 ZVGYEEMMYHCEFI-UHFFFAOYSA-N 197.322 2.286 0 20 AEAD C[C@@H](N(C)C[C@H]1CCOC1)C(C)(C)C 613599185 GMRYDHWLEPVHKC-GHMZBOCLSA-N 199.338 2.389 0 20 AEAD C[C@@H](C1CC1)N(C)C(=O)C1(C)CC1 630641578 XFRIDSLEOLFILE-QMMMGPOBSA-N 181.279 2.043 0 20 AEAD CCC(CC)CN1N=C(C)[C@@H](C)C1=O 634622239 ZIAKZNGVLUHJIX-MRVPVSSYSA-N 196.294 2.277 0 20 AEAD Cc1cc(CN(C)C(C)C)sn1 637838601 ZAJXBRFUXUMMRO-UHFFFAOYSA-N 184.308 2.292 0 20 AEAD C[C@@H]1CCN(Cc2cn[nH]c2)[C@H](C)C1 644906131 YEWSURAWXVUFNM-NXEZZACHSA-N 193.294 2.030 0 20 AEAD CC[C@@H]1CN(CC2CCC2)[C@H](C)CO1 649733865 PEXNDNRKDYJLPY-ZYHUDNBSSA-N 197.322 2.286 0 20 AEAD CC[C@@H](C)CN1CCC[C@@H](F)C1 652076723 WERDYQKCONGRNW-NXEZZACHSA-N 173.275 2.466 0 20 AEAD CC(C)(C)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 655427134 KATLQHKAFMUREE-UTLUCORTSA-N 195.306 2.337 0 20 AEAD CCCC[C@H](CC)NC/C=C\CO 658137226 ZKSPAVWEMPQZFI-ZADCQDASSA-N 185.311 2.093 0 20 AEAD CNC[C@H](C)N[C@H]1CCC[C@H]1C(C)C 663514780 SZFIOWMYSKUYCH-SRVKXCTJSA-N 198.354 2.009 0 20 AEAD C[C@H]1CN(CCC2CC2)C[C@@H]1C 674460059 VUSJLMCDXHXECU-UWVGGRQHSA-N 167.296 2.374 0 20 AEAD CC1(C)C[C@@H]1C(=O)N1C2CCC1CC2 677051772 PUDMGTNNBXJTQC-UDNWOFFPSA-N 193.290 2.186 0 20 AEAD CCC(CC)N[C@@]1(C)CCCOC1 678549743 XGAGFMCSGLOYMM-NSHDSACASA-N 185.311 2.334 0 20 AEAD C1=CCN(CCC2=CCCCC2)NC1 705225507 RZTQJRDKELFGQB-UHFFFAOYSA-N 192.306 2.253 0 20 AEAD CCN(Cc1nc(C)c(C)[nH]1)C(C)C 709062389 XCNDOMYUUPXDAW-UHFFFAOYSA-N 195.310 2.257 0 20 AEAD CCO[C@H]1CCC[C@@H](NCC2CC2)C1 721264733 YGLQQLZYSFQCGH-NEPJUHHUSA-N 197.322 2.334 0 20 AEAD C1=C(c2nc(C3CCC3)no2)CCO1 761640631 AVIYPUPJZYRAMK-UHFFFAOYSA-N 192.218 2.098 0 20 AEAD C/C=C/C=C/C(=O)NCCC1(C)CC1 791806338 HHBRZCKUEVPVCZ-VNKDHWASSA-N 193.290 2.425 0 20 AEAD O=C(OCc1ccccc1F)C1CC1 798178915 QLSZXXNAGGOYQZ-UHFFFAOYSA-N 194.205 2.279 0 20 AEAD CC[C@H](C)CONc1nccc(C)n1 813623208 WGVHUJBKGPOROS-QMMMGPOBSA-N 195.266 2.175 0 20 AEAD CCCOC(=O)C1CC2(CC2)C1 850212592 ITEDTXCRVVUQBX-UHFFFAOYSA-N 168.236 2.130 0 20 AEAD C[C@H](CC(C)(C)C)NC[C@H]1C[C@H](N)C1 873256464 OCKZYBLIATUIDF-GMTAPVOTSA-N 198.354 2.138 0 20 AEAD CC1(C(=O)N[C@@H]2CC23CCC3)CCC1 874782709 QMUNILYGFRYJOL-SECBINFHSA-N 193.290 2.235 0 20 AEAD CCCOC(=O)c1cc(C)n(C)c1C 923850113 OJLOWUAQFOIFCO-UHFFFAOYSA-N 195.262 2.209 0 20 AEAD CCC[C@H](C)N(C)Cc1nncs1 929251385 BBTUDQPXPGUFAA-QMMMGPOBSA-N 199.323 2.159 0 20 AEAD CCN1CCC(CSC)CC1 932592121 NSYFUWZITHFMCD-UHFFFAOYSA-N 173.325 2.081 0 20 AEAD CC[C@H](F)C(=O)OC1CC(C)C1 1343667339 FOFYMJMFUWNHIU-RRQHEKLDSA-N 174.215 2.076 0 20 AEAD CC[C@H](F)C(=O)OCCC(C)C 1515883054 LDWLQRBKARHSRT-QMMMGPOBSA-N 176.231 2.324 0 20 AEAD OCC[C@H](C(F)F)C1CCCC1 1898225702 PQMYLVRNRGLPPK-QMMMGPOBSA-N 178.222 2.440 0 20 AEAD CN(C[C@@H]1CCOC1)c1ccccc1 5328790 PONRJMQUDSZCOD-NSHDSACASA-N 191.274 2.159 0 20 AEAD CCCC[C@@H](CC)C(=O)N(C)C 5591019 YVAKVTNKLMUNBR-SECBINFHSA-N 171.284 2.291 0 20 AEAD CCCCCC(=O)N[C@H](C)CC 6040035 QNAZDRVGIXIMPZ-SECBINFHSA-N 171.284 2.481 0 20 AEAD COc1cccc2c1C[C@@H](C)C2=O 27654944 MWXYUIGGCLHWEP-SSDOTTSWSA-N 176.215 2.070 0 20 AEAD C[C@H](O)[C@@H](C)Cc1ccc(F)cc1 41202066 KTDAUWFSIWNVKA-IUCAKERBSA-N 182.238 2.385 0 20 AEAD CCN(C[C@H](C)O)c1cccc(C)c1 42268062 ULNQZWALTWFUIU-NSHDSACASA-N 193.290 2.202 0 20 AEAD CC[C@@H](O)CNC[C@H]1CCCC[C@@H]1C 42861860 DWCYJXATZHVYQK-QJPTWQEYSA-N 199.338 2.173 0 20 AEAD Clc1nc(-c2ccncc2)ns1 43220556 RFBQTVUUQQKKQP-UHFFFAOYSA-N 197.650 2.254 0 20 AEAD Cc1cc(N)nc(-c2cccs2)n1 44119439 XYSXPOKPPFTVJA-UHFFFAOYSA-N 191.259 2.096 0 20 AEAD CCN(C[C@H](O)C(C)(C)C)C(C)C 44128196 FPINAOWDCCOSFC-JTQLQIEISA-N 187.327 2.124 0 20 AEAD c1cncc(NC2CCC2)c1 44479856 CIOWUBZSOMDPAX-UHFFFAOYSA-N 148.209 2.046 0 20 AEAD COC[C@H](C)CNc1cccc(C)n1 45709776 OPXCNVXPHGCDOH-SECBINFHSA-N 194.278 2.084 0 20 AEAD C[C@H](NCC(C)(C)O)C1CCCCC1 52336822 FFEXWCFYDXXLNW-JTQLQIEISA-N 199.338 2.316 0 20 AEAD COCC[C@@H](C)NCc1ccc(C)o1 53036979 NIFLJUYCHQRQRA-SECBINFHSA-N 197.278 2.103 0 20 AEAD C[C@@H]1CCCC[C@H]1NCc1c[nH]cn1 54763294 WEQUWPGMDFVYJA-MWLCHTKSSA-N 193.294 2.078 0 20 AEAD C[C@@H]1CCN(C2CCCC2)C1 59567066 NXXYFQLAVRVGQO-SECBINFHSA-N 153.269 2.271 0 20 AEAD CCCC(=O)NCCCC(C)C 70225908 WKIPPNFZHXOYBN-UHFFFAOYSA-N 171.284 2.339 0 20 AEAD CCNc1ncnc2ccc(F)cc12 70286927 WBCFASQJQXSTJH-UHFFFAOYSA-N 191.209 2.201 0 20 AEAD CCCNCc1ccncc1Cl 83340987 OWCNIQGGBJCZFE-UHFFFAOYSA-N 184.670 2.235 0 20 AEAD NCc1ccc(-c2ccsc2)o1 96034676 XPGQVVGZOGANPL-UHFFFAOYSA-N 179.244 2.467 0 20 AEAD OCCCc1ccc(Cl)c(F)c1 104397093 PGPUVUXYKHZXBP-UHFFFAOYSA-N 188.629 2.404 0 20 AEAD CCc1ccccc1-c1nc(C)n[nH]1 161992161 XQJSAQUPRQUJJG-UHFFFAOYSA-N 187.246 2.343 0 20 AEAD C[C@@H](O)C[C@@H](C)NCCC(C)(C)C 164626876 IDOBZTJPKMBRST-NXEZZACHSA-N 187.327 2.172 0 20 AEAD CCC[C@H](C)NC[C@@H](O)CC(C)C 167116481 HDCMSAKPHMJMHR-QWRGUYRKSA-N 187.327 2.172 0 20 AEAD CC[C@@H]1CCN(Cc2ccncc2)C1 205996800 VJWVVFVEXCOBFX-LLVKDONJSA-N 190.290 2.314 0 20 AEAD CCC[C@H](O)CN1CCC[C@@H](C)[C@@H]1C 224721112 DIJHMCVAOYMSNA-WOPDTQHZSA-N 199.338 2.268 0 20 AEAD Cc1nccnc1NC[C@@H]1CC1(C)C 235817871 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IPDFTJZOFFQFIT-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CCC[C@H](C)C(=O)NC/C=C\Cl 891208945 OZWPTNNHPMDSLQ-HORMHSFOSA-N 189.686 2.291 0 20 AEAD CCCN[C@H]1CCCC[C@H]1CCCO 924526666 VSQWTQXQCCIVFV-RYUDHWBXSA-N 199.338 2.317 0 20 AEAD C[C@H]1CCN1c1cc(C(F)F)ncn1 1333746327 ATYOGXSYXKHMST-LURJTMIESA-N 199.204 2.013 0 20 AEAD CC[C@@H](C)[C@@H](C)N1CCO[C@@H](C)C1 1643258249 XYEYSAVTDBZXKP-OUAUKWLOSA-N 185.311 2.142 0 20 AEAD COCCN[C@H]1C[C@H](C)CC(C)(C)C1 19881708 OIIPVTCAJPNBOD-QWRGUYRKSA-N 199.338 2.437 0 20 AEAD C[C@@H](NC1CCCCC1)[C@H]1CCCO1 20207903 HZTNXYQIQHLIFU-ZYHUDNBSSA-N 197.322 2.476 0 20 AEAD Cc1occc1CNC(C)C 36947918 QEMZCUVPHADOHM-UHFFFAOYSA-N 153.225 2.086 0 20 AEAD CCCN[C@@H](CC)C(C)C 37184365 RPUPNSQYSAAWNJ-VIFPVBQESA-N 143.274 2.421 0 20 AEAD CC(C)C[C@@H](C)Nc1ncccn1 37265096 HGDQLKPLLOWMNC-SECBINFHSA-N 179.267 2.323 0 20 AEAD CCCCC[C@H](C)NC[C@@H](O)CC 42570283 DTBPAZHHLZGKQL-QWRGUYRKSA-N 187.327 2.316 0 20 AEAD Nc1ccnc(-c2ccsc2)c1 44118364 CKOCPZFEVHWVHN-UHFFFAOYSA-N 176.244 2.392 0 20 AEAD Cc1cc(NC2CCC2)nc(C)n1 52211574 SMXNYHLKAWGFLT-UHFFFAOYSA-N 177.251 2.058 0 20 AEAD CN(C)C(=O)NCCCC(C)(C)C 62125340 AUFNXOOKAMYYDD-UHFFFAOYSA-N 186.299 2.084 0 20 AEAD CCCCN(C)C[C@@]1(C)CCCNC1 62861704 YCTQZRXYVNHGLO-LBPRGKRZSA-N 198.354 2.108 0 20 AEAD CC(C)[C@@H](C)N(C)C(=O)c1ccco1 70236074 UGLBFAVSJFYSFU-SECBINFHSA-N 195.262 2.396 0 20 AEAD CCCC(=O)N1CCC[C@H]1C(C)C 74836379 LMROWIBDWPAULK-JTQLQIEISA-N 183.295 2.434 0 20 AEAD CCC(=O)N(CC1CC1)CC1CC1 78830740 BQNJFYIUUJWSLJ-UHFFFAOYSA-N 181.279 2.045 0 20 AEAD C[C@@H](N)CNc1ccccc1Cl 84449261 LLUJENNMFUHFHO-SSDOTTSWSA-N 184.670 2.099 0 20 AEAD CC(C)(OCC(=O)O)c1ccccc1 98180761 RFAZTSBSTSBGBQ-UHFFFAOYSA-N 194.230 2.023 0 20 AEAD CC(C)(C)C(F)(F)CCN 107273591 WNSXWKGTSKOBMQ-UHFFFAOYSA-N 151.200 2.017 0 20 AEAD CCC1=NN([C@@H](C)C2CC2)C(=O)[C@H]1C 110454853 JEOFKJSTVKNPMD-YUMQZZPRSA-N 194.278 2.029 0 20 AEAD COC(C)(C)CN[C@@H](C)C(C)(C)C 123122314 LGDVDTPONMJXCN-VIFPVBQESA-N 187.327 2.436 0 20 AEAD CCC(N)(CC)CN[C@H]1CC[C@@H](C)C1 129425632 BRJUBCQMUDLCAN-MNOVXSKESA-N 198.354 2.282 0 20 AEAD C[C@H]1C[C@@H](C)CN1C(=O)NC(C)(C)C 131013236 LNSHDSCLJGEDPZ-BDAKNGLRSA-N 198.310 2.225 0 20 AEAD CC[C@@H]1CCC[C@H](CN(C)CCO)C1 134871281 TZWPCLCKHHWXMJ-NEPJUHHUSA-N 199.338 2.127 0 20 AEAD Cc1cncc(CN2CCCCC2)c1 143318477 WCHANAMAEBCPNF-UHFFFAOYSA-N 190.290 2.376 0 20 AEAD CC[C@H](C)CC(=O)NOC(C)(C)C 164444823 DHDBCKSGRJRVMF-QMMMGPOBSA-N 187.283 2.269 0 20 AEAD CCc1cnn(CCC(C)C)c1 168149282 IXHAFPKXMZPCPP-UHFFFAOYSA-N 166.268 2.492 0 20 AEAD CCCCN1CCC(F)CC1 202081117 WWRZHGSOWHOZQR-UHFFFAOYSA-N 159.248 2.220 0 20 AEAD CN(Cc1ccncc1)C(C)(C)C 202620019 WXQOOMNOROLMRQ-UHFFFAOYSA-N 178.279 2.312 0 20 AEAD CCCNC(=N)NCC1(CC)CCC1 227756806 DUIISVHEQZTISD-UHFFFAOYSA-N 197.326 2.091 0 20 AEAD CC[C@@H]1CCCC[C@H]1N[C@H]1CCOC1 251757901 LTDVEBWXVPXSRP-GRYCIOLGSA-N 197.322 2.334 0 20 AEAD CC[C@@H]1CCCN1C[C@H]1CCCO1 306242614 SYJCZGXEXUATML-GHMZBOCLSA-N 183.295 2.040 0 20 AEAD C1CC(SC[C@H]2CCCO2)C1 306507258 XLXALKDGPVYBDM-MRVPVSSYSA-N 172.293 2.451 0 20 AEAD CC[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C 306508564 AUIMTSBONQBDHE-IVZWLZJFSA-N 183.295 2.337 0 20 AEAD CCN(CC)[C@@H](C)C(F)(F)F 307645858 ADWUMGIRTMDDLO-LURJTMIESA-N 169.190 2.279 0 20 AEAD COCCSCc1ccco1 307898773 LAELIXDCEMARMQ-UHFFFAOYSA-N 172.249 2.159 0 20 AEAD C[C@H](C(=O)OCC1CC1)C(F)(F)F 308144458 KUCJDHKFPNGMBH-RXMQYKEDSA-N 196.168 2.138 0 20 AEAD C[C@@H]1CC[C@@H]1NCCCOC(F)F 308285517 YUXQYYDFBXQTCS-SFYZADRCSA-N 193.237 2.004 0 20 AEAD C(CC1CC1)Nc1nnc(C2CC2)o1 308516045 MVNFNYOABBJZOO-UHFFFAOYSA-N 193.250 2.159 0 20 AEAD CC[C@@H]1CC[C@H]1NC[C@@H](O)CC(C)C 308600528 OENBEXCHLKHSBV-GRYCIOLGSA-N 199.338 2.172 0 20 AEAD CC[C@H](COC)N[C@@H]1CC[C@@H]1C1CC1 308738769 NHCFSXYCRSUCMZ-IJLUTSLNSA-N 197.322 2.190 0 20 AEAD CC[C@@H]1CCCN(CC2(O)CCC2)C1 334341798 OXFRWGIKABMMLN-LLVKDONJSA-N 197.322 2.023 0 20 AEAD CC[C@@H](C)N1CCCN(C(C)C)CC1 334441202 ZFTJDEZDUQUVEE-GFCCVEGCSA-N 198.354 2.201 0 20 AEAD CC1(C)CC=C(C(=O)NC2CC2)CC1 334956502 OOZYTDBCACMOMH-UHFFFAOYSA-N 193.290 2.402 0 20 AEAD CC1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 334987994 SMCJHASKXIVBKR-QWRGUYRKSA-N 195.306 2.291 0 20 AEAD CC(C)(C)NC(=O)[C@]12CCC[C@@H]1C2 335450837 CHAIYVCQDOEFGU-KCJUWKMLSA-N 181.279 2.091 0 20 AEAD CCCN1CCC([C@H]2CCCO2)CC1 335825189 ZCQLZFVTYBVUSY-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD CN(CC1CCC1)C(=O)c1ccoc1 336147509 GPNNXMSRXNLDBM-UHFFFAOYSA-N 193.246 2.152 0 20 AEAD Cc1ccc(C(=O)N(C)C2CCC2)o1 336355745 NVOJWJYSBCTTPV-UHFFFAOYSA-N 193.246 2.213 0 20 AEAD CC[C@@H]1CCN(C(=O)C2(CC)CC2)C1 336358248 YWQNGBQNOYWZLT-SNVBAGLBSA-N 195.306 2.435 0 20 AEAD CC(C)(NC(=O)c1ccoc1)C1CC1 336628023 LUYUVBOMJMRSTC-UHFFFAOYSA-N 193.246 2.198 0 20 AEAD CC(C)C(N[C@H]1CCO[C@@H]1C)C(C)C 379486489 JBMLNZBLSGVUCX-MNOVXSKESA-N 199.338 2.434 0 20 AEAD Cc1cc([C@H](C)NC[C@H](C)O)cs1 381753156 NSIXKEUTXGYOAX-CBAPKCEASA-N 199.319 2.088 0 20 AEAD C[C@H]1CN(CCCC(C)(C)C)C[C@@H]1O 387843787 GXLZKCUZJDHLAP-QWRGUYRKSA-N 199.338 2.125 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@@H](C)[C@@H](C)OC 388292803 ZZIJWWSXORNPAC-ZDCRXTMVSA-N 185.311 2.046 0 20 AEAD CCCC[C@H](C)N(C)C(=O)OC 388392620 DHJMSXKIWQTXNY-QMMMGPOBSA-N 173.256 2.263 0 20 AEAD CC[C@@H](C)CCC(=O)NC(C)C 393331873 MBNGAZBASRHOEM-SECBINFHSA-N 171.284 2.337 0 20 AEAD CC[C@H](C)[C@H](C)N[C@H](C)[C@H]1CCCN1 400522509 OUFRRNYXAKNYLP-NNYUYHANSA-N 198.354 2.151 0 20 AEAD CCC(CC)CN[C@H]1C[C@H](N)C1(C)C 405394356 NPFYDRIVRNENER-QWRGUYRKSA-N 198.354 2.138 0 20 AEAD C/C(Cl)=C\COCc1ncc[nH]1 530108904 SRDQEDMJPPWILI-FARCUNLSSA-N 186.642 2.069 0 20 AEAD CSCc1cc2n(n1)CCCC2 593187564 NZOZPJGAQQNSEJ-UHFFFAOYSA-N 182.292 2.082 0 20 AEAD C[C@@H](CNC(=O)CCC1CC1)C1CC1 604225097 BDOKAQDOUCKCBG-VIFPVBQESA-N 195.306 2.339 0 20 AEAD C1C[C@H]2C[C@H]1C[C@@H]2CN1C[C@H]2C[C@H]2C1 628410313 JGIIEXFFRVNOPP-IEECTRCBSA-N 191.318 2.374 0 20 AEAD COc1cnn(CCCC(C)C)c1 641728860 IXEIRGGTZYXOGZ-UHFFFAOYSA-N 182.267 2.328 0 20 AEAD O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)N1CCCC1 648071899 WNLAGDNNAGZNAM-OUAUKWLOSA-N 193.290 2.045 0 20 AEAD CC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 654487003 MTTIDUKWEMLQPG-YWVKMMECSA-N 183.295 2.337 0 20 AEAD CCC1(C)CN(C[C@@H]2C[C@@H]2C)C1 656807572 PYSYVWVVNFPDQK-UWVGGRQHSA-N 167.296 2.374 0 20 AEAD CC(C)[C@@H](N)CNCC1CCCCC1 666741140 VZAMNGLSNNOYRD-LBPRGKRZSA-N 198.354 2.140 0 20 AEAD CC(C)CN(C)C1CCC(CO)CC1 675277231 VCBLRYXMJMPURI-UHFFFAOYSA-N 199.338 2.125 0 20 AEAD CC1(C(=O)NC2CC=CC2)CCCC1 675369605 DJFJFUGHLFZTIX-UHFFFAOYSA-N 193.290 2.402 0 20 AEAD C[C@@H]1C[C@H](NC2(C)CCC2)CCN1C 679152362 ZYSQFORSNMSQMH-GHMZBOCLSA-N 196.338 2.001 0 20 AEAD CCCCN(C)Cc1cncc(F)c1 681083287 ZWYGTUHIPVQMFO-UHFFFAOYSA-N 196.269 2.453 0 20 AEAD C[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1C 682155179 NYNIROOYERIUKP-IJLUTSLNSA-N 197.322 2.001 0 20 AEAD CCCN1CCC[C@@]1(CO)CC(C)C 682778491 HDELUZXFFNFSQE-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD CN(C[C@@H]1CCCCO1)CC1(C)CC1 683827023 DXTXIYXLYHYEAL-NSHDSACASA-N 197.322 2.287 0 20 AEAD CCN(C[C@H]1CCCOC1)C(C)C 768534946 MVCKOMIKAMNCSO-LLVKDONJSA-N 185.311 2.143 0 20 AEAD CCOC(=O)NO[C@H](C)CC(C)C 818107269 NNWGEDJWOZATIW-MRVPVSSYSA-N 189.255 2.099 0 20 AEAD C[C@@H]1CCC[C@@H]1NC(=O)OC1CCC1 830402201 PJCOUPIJSZLLTH-SCZZXKLOSA-N 197.278 2.454 0 20 AEAD CS[C@@H]1CCN(C/C=C\Cl)C1 830876788 AAYMCCNWVOTZOE-DLRBJTRDSA-N 191.727 2.176 0 20 AEAD CCC/C=C/C(=O)N(CC)OCC 831451565 VHARZGCVOPPGLR-CMDGGOBGSA-N 185.267 2.143 0 20 AEAD CC[C@H](C)CN1C[C@H]2[C@H](C1)C2(F)F 844452852 IILDRTWQZPABTD-CIUDSAMLSA-N 189.249 2.229 0 20 AEAD C[C@H]1CCN(c2nccs2)[C@H]1C 846756358 XKLCQGPFBBDUBB-YUMQZZPRSA-N 182.292 2.378 0 20 AEAD CCCC[C@@](C)(F)C(=O)NCCC 854176620 QYILXEDZZOUOQN-SNVBAGLBSA-N 189.274 2.431 0 20 AEAD C/C=C(/C)C(=O)N1CCC(C)(F)CC1 871074405 HJRWNUOXTWHMMW-WTKPLQERSA-N 199.269 2.303 0 20 AEAD C[C@@H](NC1CC1)c1cccc(O)c1F 872017041 RSQJCGPEHATMDL-SSDOTTSWSA-N 195.237 2.344 0 20 AEAD CCON(CC)CCCCCOC 879796537 YKNJEYUOAXQTEN-UHFFFAOYSA-N 189.299 2.077 0 20 AEAD FC[C@H]1CCCN(C/C=C/Cl)C1 880234368 JFAYEERNBRCIAF-HDMKULJXSA-N 191.677 2.420 0 20 AEAD CCc1ncc(NCC(C)(C)C)cn1 902205362 OFXHKOLPZQHWSZ-UHFFFAOYSA-N 193.294 2.497 0 20 AEAD CC[C@@H]1C[C@H]1COC(=O)C1CCC1 922300810 SLLGGEFPRZJWGQ-SCZZXKLOSA-N 182.263 2.376 0 20 AEAD CC[C@H](F)C(=O)N1CCCC2(CC2)C1 1120721416 KWAGTQOOOFOALV-VIFPVBQESA-N 199.269 2.137 0 20 AEAD C[C@H](N[C@H]1CC[C@@H]1C)C1CC1 1261256609 NTJYAXIPKSLEHQ-NRPADANISA-N 153.269 2.173 0 20 AEAD C=C/C=C/CCOC(=O)[C@@H]1C[C@H]1F 1263610452 QSIGZYQTPZKLEI-HUGTUPKYSA-N 184.210 2.020 0 20 AEAD CC(C)n1cc(C(=O)C(C)(C)C)nn1 1329315727 LBDGGJJEETYCJL-UHFFFAOYSA-N 195.266 2.088 0 20 AEAD O=C(NC1CCCCCC1)[C@H]1C[C@H]1F 1336459291 XURPXIKDVGNYJM-VHSXEESVSA-N 199.269 2.183 0 20 AEAD CC[C@H]1CCN(C(=O)C2(C)CC2)[C@@H]1C 1435966952 MQIKTHSQDKIBLM-ZJUUUORDSA-N 195.306 2.434 0 20 AEAD CC1CC(CSCCC(=O)O)C1 1603376043 XZRDWGAGIMJWQU-UHFFFAOYSA-N 188.292 2.240 0 20 AEAD CCCCCNC1CCN(CC)CC1 19901256 QQYXKJQMIFGZMK-UHFFFAOYSA-N 198.354 2.251 0 20 AEAD CCCCNC(=O)/C=C\c1ccco1 33684811 IWBKPQVFHAYRMA-SREVYHEPSA-N 193.246 2.209 0 20 AEAD CC[C@@H](C)NC(=O)OC(C)(C)C 34338785 JOLOYYRHPUVBJM-SSDOTTSWSA-N 173.256 2.310 0 20 AEAD CCN(CCCO)C1CCCCC1 35116621 ZIWZXIHBPPPEPU-UHFFFAOYSA-N 185.311 2.023 0 20 AEAD CC(C)(C)CNCC1CC1 38000586 VJOBRZZBKGGIMF-UHFFFAOYSA-N 141.258 2.032 0 20 AEAD CCCCCNC(=O)N[C@H](C)CC 39971584 IIYYNBVXLSWUCD-SECBINFHSA-N 186.299 2.274 0 20 AEAD COC[C@@H](C)CNCc1ccsc1 44478359 LRCVYJUGANCERW-VIFPVBQESA-N 199.319 2.120 0 20 AEAD CC[C@@H](NC[C@H](C)COC)C(C)C 45657630 RSJJHCZFCIANMI-WDEREUQCSA-N 187.327 2.293 0 20 AEAD CCC[C@H](C)NC1CCC(N)CC1 51693491 XSJOUCADDPHTLD-WHXUTIOJSA-N 184.327 2.035 0 20 AEAD C[C@H]([C@@H](C)O)C(C)(C)C 60046764 MXDGSCZQIMQLII-RNFRBKRXSA-N 130.231 2.049 0 20 AEAD CCCC(CCC)NCc1ncc[nH]1 70646284 IPXOZAKBNYZIGP-UHFFFAOYSA-N 195.310 2.468 0 20 AEAD C/C=C/C(=O)Nc1cccc(F)c1F 82254401 YNBDHBFVFCAULI-DUXPYHPUSA-N 197.184 2.479 0 20 AEAD CC(C)CCN(C(N)=O)C1CCCC1 82265226 VVFODMDSMXSCBO-UHFFFAOYSA-N 198.310 2.356 0 20 AEAD CCc1ccc2c(c1)[C@@H](N)[C@H](CC)O2 82765367 RFWZJTXSBYXJPS-CMPLNLGQSA-N 191.274 2.420 0 20 AEAD CCOCCCN[C@@H]1CCC[C@@H]1C 83389814 ZADGBEAQLWUTSQ-WDEREUQCSA-N 185.311 2.191 0 20 AEAD COCC[C@@H](C)N[C@@H]1CC=CCC1 84066458 CKIXRMWRCOGSFF-GHMZBOCLSA-N 183.295 2.110 0 20 AEAD CC[C@@H](C)N(CC)CC[C@@H]1CCNC1 84384709 GGFHDXWLVUXJOG-NEPJUHHUSA-N 198.354 2.106 0 20 AEAD C[C@H](O)[C@H](C)c1cccc(F)c1 85658334 AGRSUYLMLDYPQX-YUMQZZPRSA-N 168.211 2.310 0 20 AEAD Cc1cc(F)ccc1N[C@@H](C)[C@@H](C)O 87127035 FANSLZGMACGVPH-DTWKUNHWSA-N 197.253 2.315 0 20 AEAD CCCC[C@H](C)[C@H](C)NCCOC 87147508 DHOSCNZUQAARNM-QWRGUYRKSA-N 187.327 2.437 0 20 AEAD CC1(C(=O)C[C@@H]2CCCCCN2)CC1 87364725 IJHAACLUPRFTAR-JTQLQIEISA-N 195.306 2.278 0 20 AEAD CCCC[C@H](C)NCC1(N)CCC1 88052091 YERXPAGLUBTNKS-JTQLQIEISA-N 184.327 2.036 0 20 AEAD COc1cccc2cc(F)cnc12 97758351 KMYSVMYZJKQSGP-UHFFFAOYSA-N 177.178 2.383 0 20 AEAD CC(=O)[C@H](N)c1cc(Cl)ccc1C 104504004 OCVBCJPQCMQMBR-JTQLQIEISA-N 197.665 2.237 0 20 AEAD CC(C)N1[C@H]2CCC[C@H]1CC2 114530828 VDDSTRHLWQUFON-UWVGGRQHSA-N 153.269 2.412 0 20 AEAD CCC[C@@H](C)NCC(C)(C)OC 133382805 NSULFGVGXNTUNP-SECBINFHSA-N 173.300 2.190 0 20 AEAD CC[C@@H]1CCC[C@@H]1N[C@@H](C)COC 157317527 BPVGNVKDIYAFKS-AXFHLTTASA-N 185.311 2.190 0 20 AEAD CCCN(CCC)Cc1cnc[nH]1 165034723 OLYKMBSFQNKZAY-UHFFFAOYSA-N 181.283 2.032 0 20 AEAD Cc1cncnc1N1CCC(C)CC1 203750187 LFTQUAHXDSJQND-UHFFFAOYSA-N 191.278 2.021 0 20 AEAD CC1CC(N[C@H](CCO)C(C)(C)C)C1 229577401 QMMKACFMWAUWBW-VQXHTEKXSA-N 199.338 2.172 0 20 AEAD CC(C)(NCC1CC1)C1CC1 230674436 HSRUGGYSWBBEHX-UHFFFAOYSA-N 153.269 2.175 0 20 AEAD C[C@@H]1CCC[C@@H]1CNc1ncccn1 230690443 KVSMGAWLGVZWAL-NXEZZACHSA-N 191.278 2.325 0 20 AEAD Cc1ncn(C[C@@H]2CC[C@@H](C)O2)c1C 232048769 GBYFDBPJZVGUSX-KCJUWKMLSA-N 194.278 2.067 0 20 AEAD CC(C)C[C@H](C)n1cc(N)cn1 238180371 KHHLFOKIQCJPMS-QMMMGPOBSA-N 167.256 2.072 0 20 AEAD N[C@@H](CF)c1ccc(F)c(Cl)c1 238574041 CIHWEXFYVBURFH-QMMMGPOBSA-N 191.608 2.448 0 20 AEAD CC[C@H](C)N(CC)C[C@H]1CCCNC1 252437775 XNLLFNXKGHKHKU-RYUDHWBXSA-N 198.354 2.106 0 20 AEAD CONCc1ccc(Cl)c(C)c1 258008560 HDIOJCXXOAKUGN-UHFFFAOYSA-N 185.654 2.299 0 20 AEAD CCOC(=O)c1nc(C)c(CC)s1 260879340 NCUPAKGRVXINAH-UHFFFAOYSA-N 199.275 2.191 0 20 AEAD CC[C@H](COC)NC[C@H]1CC[C@H](C)C1 300241416 JELLHJZWJUJHBL-SDDRHHMPSA-N 199.338 2.437 0 20 AEAD C[C@H](CO)CCCN[C@H]1CC[C@H](C)C1 300395921 OQZDIAUJUAUMSU-SRVKXCTJSA-N 199.338 2.173 0 20 AEAD c1c[nH]c(SCc2nccs2)n1 306229155 HYPUSMLWYRKKKQ-UHFFFAOYSA-N 197.288 2.159 0 20 AEAD c1ccc(SCc2cn[nH]c2)nc1 306380185 AEXSANXTOZQVCX-UHFFFAOYSA-N 191.259 2.097 0 20 AEAD CCN(C)C(=O)C1(F)CCCCC1 306387311 TZYGYSMDUVHSQI-UHFFFAOYSA-N 187.258 2.137 0 20 AEAD C[C@]1(NCC2CC2)CC=CCC1 306895628 NIRKZULKJCHZEJ-NSHDSACASA-N 165.280 2.485 0 20 AEAD CC(C)[C@@H]1C[C@@H](NC2CC2)CS1 306958269 VGZACNTXVZSUFN-ZJUUUORDSA-N 185.336 2.269 0 20 AEAD Cc1ncc(CN[C@@H]2CCC2(C)C)o1 306986651 PGBUTFXJWYMTGK-SNVBAGLBSA-N 194.278 2.261 0 20 AEAD CC(C)CN1CCC[C@@H]1C(F)F 307008686 HJQOZILPKYZKMG-MRVPVSSYSA-N 177.238 2.372 0 20 AEAD CCC1(Nc2nccs2)CC1 307105863 JMYDOITUCMDHJT-UHFFFAOYSA-N 168.265 2.498 0 20 AEAD CC[C@@H](Nc1cc(F)ncn1)C1CC1 307271241 ICVXATCHZQQDKS-MRVPVSSYSA-N 195.241 2.216 0 20 AEAD CC[C@@H](C)N(C)C/C=C/Cl 307508293 AFPUHNFXCLVPAN-HQZHTGGTSA-N 161.676 2.469 0 20 AEAD Cc1cc(CN(C)C2CC2)c(C)o1 307687858 LGFUMCRPGZFWSE-UHFFFAOYSA-N 179.263 2.491 0 20 AEAD CC(C)C(=O)N(CC(F)F)C(C)C 308140429 IALRKPWDZXMOKI-UHFFFAOYSA-N 193.237 2.145 0 20 AEAD CC(C)COC(=O)[C@@H]1C[C@H]1C1CC1 308142917 JSYCYHVFMHHZNO-VHSXEESVSA-N 182.263 2.232 0 20 AEAD CCCC[C@H](C)N(C)C(=O)C1CC1 308213685 XXZYMVAVXDLOKY-VIFPVBQESA-N 183.295 2.434 0 20 AEAD CC[C@H](C)[C@@H](O)CNC1CC(C)(C)C1 308582500 HCTCRCUAVAVNGD-ONGXEEELSA-N 199.338 2.172 0 20 AEAD CCCC[C@@H](C)NC[C@@H](O)C1CCC1 316798981 RVUYFIIXYAENBJ-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD CC[C@H](C)[C@@H](C)NCC[C@H]1CCNC1 319536739 NAUHYVVIZVAIOD-QJPTWQEYSA-N 198.354 2.010 0 20 AEAD CC[C@H](NC[C@H](O)C(C)C)C1CCC1 322692750 MLEMFXOFVMXEIY-RYUDHWBXSA-N 199.338 2.172 0 20 AEAD CCC(=O)N[C@H](C1CCC1)C1CC1 324885284 AJVMWCCDFRUCDQ-LLVKDONJSA-N 181.279 2.091 0 20 AEAD Fc1ccc(OCc2ccon2)cc1 334237520 IXGROVINDRQFKK-UHFFFAOYSA-N 193.177 2.393 0 20 AEAD CC1CN(C(=O)C2C(C)(C)C2(C)C)C1 334398593 MAFNUGKRFOVIPH-UHFFFAOYSA-N 195.306 2.147 0 20 AEAD Cc1oncc1CN1CCCC[C@H]1C 334643381 CMPCCSIOJLYFNZ-SECBINFHSA-N 194.278 2.357 0 20 AEAD CC[C@H]1CCCN1C(=O)CC1CC1 335569479 QNXWZGYYVQRVCN-JTQLQIEISA-N 181.279 2.188 0 20 AEAD CC[C@@H]1CCN(C(=O)[C@H](C)CC)C1 335585056 MZECVWBXQXOUQZ-NXEZZACHSA-N 183.295 2.291 0 20 AEAD CC[C@H]1CCCC[C@H]1C(=O)N1CCC1 335693513 HUUXEIKMZGNMCE-WDEREUQCSA-N 195.306 2.435 0 20 AEAD CCC1(C(=O)N[C@H]2CCC[C@@H]2C)CC1 335916599 TYYOGZFFHMUPMH-UWVGGRQHSA-N 195.306 2.481 0 20 AEAD CCC(=O)N1CC[C@H]1c1ccccc1 336131281 ZGWGBVQRDIESHC-NSHDSACASA-N 189.258 2.370 0 20 AEAD C[C@@H]1CC(C(=O)NC2CC2)C[C@@H](C)C1 336151824 WIKLSMBPBOAUPS-IUCAKERBSA-N 195.306 2.337 0 20 AEAD C1CC(CN2CCO[C@H]3CCC[C@@H]32)C1 336152427 QIMDNHZBYKUOAD-RYUDHWBXSA-N 195.306 2.040 0 20 AEAD CC1(C)CCN(Cc2ncc[nH]2)CC1 336352483 CIMJIPQVBUBFOL-UHFFFAOYSA-N 193.294 2.032 0 20 AEAD C[C@@H]1CCCN(c2ncccn2)CC1 336470596 BARZNFAREUQKDV-SNVBAGLBSA-N 191.278 2.103 0 20 AEAD CCCN1CCC[C@]2(CCCOC2)C1 336553909 BFRKDXIBOHYIJZ-LBPRGKRZSA-N 197.322 2.289 0 20 AEAD CCC(=O)N(C)c1ccc(F)c(F)c1 336616999 PWRWWTHUUQYHLO-UHFFFAOYSA-N 199.200 2.338 0 20 AEAD CCC[C@H](OC)c1noc(CC)n1 351141421 ZTSLAHUVONJMIF-ZETCQYMHSA-N 184.239 2.120 0 20 AEAD C/C=C(/C)C(=O)OCc1nccs1 379402881 OAEJGGCZXWUPRT-CLTKARDFSA-N 197.259 2.153 0 20 AEAD CCCCCN[C@H](C)[C@@H]1CCCCN1 386109229 LEAMCFVYWMZYMZ-NEPJUHHUSA-N 198.354 2.297 0 20 AEAD CC[C@@H]1C[C@H]1CNC1CC(C)C1 388173173 IBOOTOQXPUXIQU-WIFZPCQCSA-N 167.296 2.421 0 20 AEAD CC[C@@H](C)C(=O)NCCC(F)(F)F 388653098 SJWCZAUBJBOZBL-ZCFIWIBFSA-N 197.200 2.101 0 20 AEAD CC[C@@H](C)CC(=O)NCC1(C)CC1 388738663 XGUUBYSOOOQKCI-SECBINFHSA-N 183.295 2.339 0 20 AEAD CO[C@@H](C)CCN[C@H](C)C1CCC1 388759054 DJCDVXJPBWEPDE-VHSXEESVSA-N 185.311 2.190 0 20 AEAD CC(C)Cc1[nH]nc(C(C)C)c1CO 409439580 JASNUVBGURDSHW-UHFFFAOYSA-N 196.294 2.224 0 20 AEAD CSCCN1C[C@@H]2CCCC[C@@H]21 595567567 SYEFIWZUWASMQI-UWVGGRQHSA-N 185.336 2.224 0 20 AEAD CC1CC(CN[C@@H](C)[C@@H]2CCOC2)C1 621738711 PLCCZITXBYCVKJ-POSLAHMBSA-N 197.322 2.047 0 20 AEAD CCCC1(C(=O)N2C[C@H]3C[C@H]3C2)CC1 628512988 RZKWKTMPOGSHCS-AOOOYVTPSA-N 193.290 2.045 0 20 AEAD Cc1nn([C@H]2CCSC2)c(C)c1C 634628274 VAULWPBTGCJVPQ-JTQLQIEISA-N 196.319 2.486 0 20 AEAD CCCCN(C(C)=O)c1ccccn1 637724815 AUGNRXAYDKWHNB-UHFFFAOYSA-N 192.262 2.235 0 20 AEAD CO[C@](C)(CN1CCC[C@H]1C)C1CC1 638069895 TYAQUCWTYZYYKG-ZYHUDNBSSA-N 197.322 2.286 0 20 AEAD Cc1cnc(CN2CC[C@@H]2C(C)C)o1 638277461 ZIUISBRUTRTTFZ-SNVBAGLBSA-N 194.278 2.213 0 20 AEAD C[C@H](CC1CCC1)NC1CSC1 639324106 JKSWWFBAEJJQNY-MRVPVSSYSA-N 185.336 2.270 0 20 AEAD CCC[C@@H](CNCC1CC(C)C1)OC 639342320 ZBPAXRAACKRGFU-MCIGGMRASA-N 199.338 2.437 0 20 AEAD CC(C)C[C@H](C)N(C)C[C@@H]1CCOC1 642621267 GMQQGSUIFLKNSD-RYUDHWBXSA-N 199.338 2.389 0 20 AEAD COCCCN(C1CC1)[C@H](C)C1CC1 642634461 RBWHHRQXMLBRQC-SNVBAGLBSA-N 197.322 2.286 0 20 AEAD CC[C@H](C)C[C@H](C)NCC1(O)CCC1 644577564 VGVGEYKVSDALPM-QWRGUYRKSA-N 199.338 2.316 0 20 AEAD COC[C@@]1(C)CCN(CC=C(C)C)C1 648643371 NIWMQDIFKNVKJN-LBPRGKRZSA-N 197.322 2.311 0 20 AEAD CCC[C@@H]1CCCN(CC[C@@H](C)O)C1 649349906 DKHQPVWABXIHOB-VXGBXAGGSA-N 199.338 2.269 0 20 AEAD CCCC(C)(C)C(=O)N1CCCC1 650983531 ICEXKHKVDZGEQU-UHFFFAOYSA-N 183.295 2.435 0 20 AEAD CC1(NC(=O)C2CCCC2)CC=CC1 654006102 HOFCXPNRRBDXPW-UHFFFAOYSA-N 193.290 2.402 0 20 AEAD CCN(CC)C(=O)[C@@H](C)C1CCC1 654838740 FRJMLCARWLKZRW-VIFPVBQESA-N 183.295 2.291 0 20 AEAD COCC[C@H](C)NCCC(C)(C)F 656684859 HRNCJAZACQDKES-VIFPVBQESA-N 191.290 2.139 0 20 AEAD CC[C@@H](C)N(CC)Cc1ccon1 661105722 YQHDAGDHPIVKHW-SECBINFHSA-N 182.267 2.295 0 20 AEAD CC[C@@H](N)CN[C@@H]1C[C@@H](C)C[C@@H](C)C1 666911289 YWRDTNLRWBSORI-KXNHARMFSA-N 198.354 2.138 0 20 AEAD Cc1nn(C)c(OCCC(C)C)c1C 670854131 CNBRCFGWSOXDHA-UHFFFAOYSA-N 196.294 2.462 0 20 AEAD CC1(CNC(=O)CCC2CCC2)CC1 674450091 GGBFJFBLDNTANX-UHFFFAOYSA-N 195.306 2.483 0 20 AEAD CO[C@@H](C)COc1cc(C)nc(C)c1 681359661 MYNXLDVZLLBFLX-JTQLQIEISA-N 195.262 2.112 0 20 AEAD C[C@@H]1CCC[C@H]1CNC(=O)CC1CC1 684946930 TUWGKBKIJMGLEW-KOLCDFICSA-N 195.306 2.339 0 20 AEAD CCC[C@]1(CO)CCN([C@@H](C)CC)C1 685056636 RMYKQKGAPPCIAJ-RYUDHWBXSA-N 199.338 2.269 0 20 AEAD CC(C)=CCCN(C)C(C)(C)C(=O)O 697593360 HLSDZGFXBPCFOX-UHFFFAOYSA-N 199.294 2.138 0 20 AEAD CCCCCN[C@H]1COC[C@@H]1CC 699431482 RMDKQOYKYBTABU-QWRGUYRKSA-N 185.311 2.191 0 20 AEAD CC[C@H]1COC[C@H]1NC1CCCCC1 699464540 ACSSGCYTLRITIL-CMPLNLGQSA-N 197.322 2.334 0 20 AEAD C[C@@H]1CSC[C@H]1NC[C@@H]1C=CCC1 711769267 UTHNOJZIVKILCR-GMTAPVOTSA-N 197.347 2.294 0 20 AEAD C[C@@H]1CCCC[C@@H]1NCCOC1CC1 711776708 MMQIOEBFJJNLJU-PWSUYJOCSA-N 197.322 2.334 0 20 AEAD Cc1ccnc(NC[C@H]2C=CCC2)n1 711778800 RDEKPZIUUSSBDO-JTQLQIEISA-N 189.262 2.163 0 20 AEAD CCC(=O)CCCN(C)CCCF 716639512 ITLZJZLQJWBWIH-UHFFFAOYSA-N 189.274 2.037 0 20 AEAD CCO/C=C\C(=O)NCCCC(C)C 813396616 LFDJBZAYJWOWOO-CLFYSBASSA-N 199.294 2.089 0 20 AEAD CC(C)[C@@H]1CCC[C@H](N[C@@H](C)CN)C1 817969644 FRZQBDNDEPDBNH-TUAOUCFPSA-N 198.354 2.138 0 20 AEAD C[C@H]1CCCN1Cc1cccc(F)n1 851792825 PHXMQFNDXVGMAD-VIFPVBQESA-N 194.253 2.205 0 20 AEAD C=C/C=C\CCNc1ncncc1C 882795482 NNPDJKAHPGMDOR-PLNGDYQASA-N 189.262 2.329 0 20 AEAD CCC/C=C\C(=O)N1CC[C@H](CF)C1 916103008 CQVJWDVFGHTIAQ-UMCURTJPSA-N 199.269 2.161 0 20 AEAD CC[C@H](CO)Sc1ccoc1C 917425946 OTTQENKUYYNOJQ-MRVPVSSYSA-N 186.276 2.451 0 20 AEAD CC(C)CN(C)[C@H](C)c1ncccn1 929360841 BBKYUBUUGFWQNN-SNVBAGLBSA-N 193.294 2.125 0 20 AEAD CC[C@@H](C)CSCc1nc[nH]n1 1328031575 BBGXWDNCBHWLKF-SSDOTTSWSA-N 185.296 2.084 0 20 AEAD O=C(NC1CCCCCC1)[C@@H]1C[C@@H]1F 1336459293 XURPXIKDVGNYJM-ZJUUUORDSA-N 199.269 2.183 0 20 AEAD C[C@@H](OC(=O)C1CC1)c1ccoc1 1345013708 DEURWISUJQPJKC-SSDOTTSWSA-N 180.203 2.294 0 20 AEAD COC(=O)N(CC(C)C)CC(C)C 5384238 HNQLAKNJQCQSTJ-UHFFFAOYSA-N 187.283 2.367 0 20 AEAD CCOc1ccc2c(C=O)c[nH]c2c1 35635697 AYXNQCASWWYTFS-UHFFFAOYSA-N 189.214 2.379 0 20 AEAD CC(=O)[C@@H](C)SC(C)C 37687589 RWQCXOAESNRHTJ-SSDOTTSWSA-N 146.255 2.106 0 20 AEAD CCCCCNCC1(O)CCCCC1 37874335 CAJQBKZVMMLRFJ-UHFFFAOYSA-N 199.338 2.461 0 20 AEAD COC(=O)c1ccc(C(C)C)cc1N 39083878 CIFBIIKFGFJMBD-UHFFFAOYSA-N 193.246 2.179 0 20 AEAD CCCn1c(C)nnc1SC(C)C 41360993 VGHXKIFEGKPWGT-UHFFFAOYSA-N 199.323 2.497 0 20 AEAD CCNC[C@H]1CCCC[C@H]1C 42857452 ZBELBTUFIGOKGM-NXEZZACHSA-N 155.285 2.422 0 20 AEAD CC(C)CCN(C)CCC[C@@H](C)O 45620554 WDJNHHAOCCPUMJ-LLVKDONJSA-N 187.327 2.125 0 20 AEAD CC[C@@H]1CCCN1CCCCCO 51019876 NTKJOTGJEFPJQF-LLVKDONJSA-N 185.311 2.023 0 20 AEAD CCC(CC)Nc1ccnc(C)n1 54935632 XGWSFUVPTAIBMO-UHFFFAOYSA-N 179.267 2.386 0 20 AEAD CCC[C@H](C)NC(=O)c1cscn1 59894889 MXTORIVAZXMYMT-ZETCQYMHSA-N 198.291 2.062 0 20 AEAD C[C@H](CC(=O)O)N[C@H](C)C1CCCC1 69804570 OELOTXUBSOCVRX-RKDXNWHRSA-N 199.294 2.018 0 20 AEAD CCC[C@@H](CC)N[C@H]1CCCOC1 70014222 LSCBITLLSYZARR-MNOVXSKESA-N 185.311 2.334 0 20 AEAD CC(C)(C)CCN[C@H]1CCCOC1 76630872 IJAOJUBTAJZYFI-JTQLQIEISA-N 185.311 2.191 0 20 AEAD CC1(NC[C@@H]2CCCOC2)CCCC1 82581148 QYYWFHAXMOBDEO-NSHDSACASA-N 197.322 2.335 0 20 AEAD CC[C@@H]1Oc2c(F)ccc(F)c2[C@H]1N 82760166 RLZZBXMGPKASMI-CBAPKCEASA-N 199.200 2.136 0 20 AEAD CC(C)CS[C@H](C(=O)O)C1CC1 84090875 JACDFFTXUWMEGX-QMMMGPOBSA-N 188.292 2.239 0 20 AEAD COc1ccc([C@H](C)[C@H](C)O)cc1 85658390 XAZDONJLDVQBEE-BDAKNGLRSA-N 180.247 2.180 0 20 AEAD C[C@@H](CCCO)N[C@H](C)c1ccco1 87358142 BIBQHBZYCBRGNK-VHSXEESVSA-N 197.278 2.091 0 20 AEAD Cc1ccc2nc(C)ncc2c1 88189392 BCYFJNMFBCOSJG-UHFFFAOYSA-N 158.204 2.247 0 20 AEAD CC[C@@H](C)N1N=C2CCCC[C@@H]2C1=O 104709131 ZOKHABONMAFRGF-BDAKNGLRSA-N 194.278 2.173 0 20 AEAD CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)CO 122091461 RDCFDYQUJSTOLE-SRVKXCTJSA-N 199.338 2.172 0 20 AEAD CCCNC(=O)N[C@@H]1CCC(C)(C)C1 122343229 CMQAZQNYZUVVBA-SECBINFHSA-N 198.310 2.274 0 20 AEAD O=c1sccn1CC1CCCCC1 127370647 FTKZTMNLXQZKFG-UHFFFAOYSA-N 197.303 2.490 0 20 AEAD CCN(C)C(=O)N1CC[C@@H](C)[C@H](C)C1 127863701 DYXJCYLESKNVNA-NXEZZACHSA-N 198.310 2.036 0 20 AEAD CCC(CC)N[C@@H]1CCN(C)[C@H](C)C1 129513145 CKUFVQFMQKQCAA-ZYHUDNBSSA-N 198.354 2.247 0 20 AEAD C[C@H](NCc1ccccn1)C1CCC1 131918837 GMMDUPBYDPNRQJ-JTQLQIEISA-N 190.290 2.360 0 20 AEAD CC(C)CONC(=O)c1cccs1 133765826 WCZFUVYKRLJZRH-UHFFFAOYSA-N 199.275 2.066 0 20 AEAD CC[C@H](C)NC1CCC(OC)CC1 164230305 VZNIATGUVDJTKA-WHXUTIOJSA-N 185.311 2.332 0 20 AEAD O=C(C1CCCCC1)N1C[C@H]2C[C@@H]2C1 169801366 ISQGMUWCFDUJFR-GHMZBOCLSA-N 193.290 2.045 0 20 AEAD Cc1coc2ccc(CO)cc12 212127954 ZOBZRASTYRBQPN-UHFFFAOYSA-N 162.188 2.234 0 20 AEAD CC1(C)C[C@@H]1CNCc1cccnc1 226257397 UAUGOFRSKNQPSU-LLVKDONJSA-N 190.290 2.217 0 20 AEAD C[C@H](NCC(F)F)c1cscn1 229132511 AOFOKVHRUPXCSK-YFKPBYRVSA-N 192.234 2.059 0 20 AEAD CCC[C@@H]1C[C@H]1Nc1cc(C)ncn1 231662441 OUTXVBKTQKXIJO-NXEZZACHSA-N 191.278 2.386 0 20 AEAD Cc1cc(Cl)cc([C@@H](N)[C@H](C)O)c1 238487476 HUVJRGQEWYHDPF-XVKPBYJWSA-N 199.681 2.029 0 20 AEAD N[C@@H](CF)c1ccc(O)c(Cl)c1 238574388 CYTXSNGVNPSOQE-ZETCQYMHSA-N 189.617 2.015 0 20 AEAD CC(C)C[C@@H](C)CN[C@@H]1CCOC1 300832489 CDUJEYYEGHAADB-GHMZBOCLSA-N 185.311 2.047 0 20 AEAD C[C@@H]1CSC[C@H]1N[C@@H]1CC1(C)C 306156944 MMMSZMNQVAJTTI-IWSPIJDZSA-N 185.336 2.126 0 20 AEAD Cc1cnc(CN[C@@H]2CCC2(C)C)o1 306399334 KIDGLNZYNZLLNY-SECBINFHSA-N 194.278 2.261 0 20 AEAD C[C@@H](O)CN[C@@H]1CCCC12CCCC2 306436898 HGNNFGCVZSJVKM-GHMZBOCLSA-N 197.322 2.070 0 20 AEAD CCSCS[C@@H](C)[C@H](C)O 306449559 ARQMZJPEYLFOMG-BQBZGAKWSA-N 180.338 2.200 0 20 AEAD Cc1ccc(CNc2cnoc2C)o1 306479883 KMGRINPFUXMPND-UHFFFAOYSA-N 192.218 2.497 0 20 AEAD COc1ccc(C)c(F)c1C 306718184 IODKMVCMLMZAAR-UHFFFAOYSA-N 154.184 2.451 0 20 AEAD Cc1noc([C@@H]2CC23CCC3)n1 306769230 ACNDUFWONXZBSI-ZETCQYMHSA-N 164.208 2.036 0 20 AEAD C[C@H]1CCSCCN1C[C@@H]1C[C@H]1C 307002928 CTYPOGQEVXLGHG-VWYCJHECSA-N 199.363 2.470 0 20 AEAD CCCCN1C[C@H]2[C@@H](C1)C2(C)C 307129487 JXBUSQSBKOVKSU-AOOOYVTPSA-N 167.296 2.374 0 20 AEAD C[C@H]1CC[C@H](C)C1NCc1ccon1 307300111 RZBBGJBCIGIKGP-IUCAKERBSA-N 194.278 2.199 0 20 AEAD Fc1ccnc(Br)c1F 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CO[C@@H]1CCCN(CCC2CC2)CC1 679953403 JVQVHLSRYYLOMW-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD CC/C=C\CCN(CCO)CCCC 681020838 FRRCTFFCBFPAPD-ALCCZGGFSA-N 199.338 2.437 0 20 AEAD C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCC[C@H]21 682426565 YNNGZARSNXIFJP-GWOFURMSSA-N 193.290 2.043 0 20 AEAD CC[C@@H](C)OC(=O)c1ccc(F)cn1 751827322 LLCVFXHISZOGNN-SSDOTTSWSA-N 197.209 2.176 0 20 AEAD CCCCCC(=O)NOCCC1CC1 783554834 JNCVQDHNBVQINN-UHFFFAOYSA-N 199.294 2.415 0 20 AEAD CC(C)C(=O)CCN1CCCC[C@@H]1C 808708147 IKJTUSHZOHVAFP-NSHDSACASA-N 197.322 2.476 0 20 AEAD CCCONC(=O)/C=C1\CC[C@@H](C)C1 844085055 KLFQQIHCHRVTPO-NCXKZPMSSA-N 197.278 2.191 0 20 AEAD CC(C)OC[C@H](C)N[C@@H]1C=CCC1 850358976 QWFPAVSVRYDDOI-WDEREUQCSA-N 183.295 2.108 0 20 AEAD CCCOCS[C@H]1CCO[C@@H]1C 863313782 UMHOTOFXQZAWKA-BDAKNGLRSA-N 190.308 2.281 0 20 AEAD CCCSC[C@H](C)NC1CC1 892483136 XWPJGAOJMSWECC-QMMMGPOBSA-N 173.325 2.270 0 20 AEAD CCC(C)(C)[C@@H](C)N[C@H]1C[C@H](CO)C1 927146966 HGAQFLSRVCXQNM-GMTAPVOTSA-N 199.338 2.172 0 20 AEAD CCC1(c2nnc(CC3CC3)o2)CC1 1117226930 IIPTUACVONNAFS-UHFFFAOYSA-N 192.262 2.464 0 20 AEAD CC[C@@H](OC)c1nnc(C(C)(C)C)o1 1322963331 REZDQNNVTASZJT-SSDOTTSWSA-N 198.266 2.465 0 20 AEAD CCC1(NC(=O)/C=C(/C)C2CC2)CC1 1324536446 XMTQTHZISOXKEC-HJWRWDBZSA-N 193.290 2.402 0 20 AEAD CCCN[C@@H](C)c1cccnc1 19515016 PLGIGLXQHMVTLN-VIFPVBQESA-N 164.252 2.142 0 20 AEAD CC(C)CCN[C@H](C)[C@H]1CCCO1 20206090 OLIQSIWITORMLC-GHMZBOCLSA-N 185.311 2.190 0 20 AEAD C=C/C=C/C(=O)OC(C)(C)C 36404124 JDVCPIAGLULTHC-VOTSOKGWSA-N 154.209 2.070 0 20 AEAD CCCN[C@H](C(=O)O)C1CCCCC1 37182601 NOEWSHSTNDUIGU-JTQLQIEISA-N 199.294 2.020 0 20 AEAD CCCCN(C)CCN[C@H](C)CC 37479890 XASFHCLHGRLMRL-LLVKDONJSA-N 186.343 2.106 0 20 AEAD CCc1ccc(OC)c(OC)c1F 38523446 RYVYWYSYNWMCCU-UHFFFAOYSA-N 184.210 2.405 0 20 AEAD CCCCC[C@@H](C)N[C@H]1CCCNC1 43325627 SKSRTEYEDAKYNF-NEPJUHHUSA-N 198.354 2.297 0 20 AEAD Cc1cc2cc[nH]c2cc1O 44185496 FQFKFEHJKYITSU-UHFFFAOYSA-N 147.177 2.182 0 20 AEAD CCOC[C@@H](C)Nc1cc(C)ccn1 44725927 MLZLUBIFPXPCSY-SNVBAGLBSA-N 194.278 2.227 0 20 AEAD CCC[C@@H](O)CN1CCCCCCC1 50193246 ZCPQIQXRDLNWIZ-GFCCVEGCSA-N 199.338 2.414 0 20 AEAD CCC1(CC)CCN[C@@H]1C 51955767 WDFNKGVLAKLPMV-MRVPVSSYSA-N 141.258 2.175 0 20 AEAD CN[C@@H]1CCCN(CCC(C)(C)C)C1 53203803 MTFBBJDMWSUAFG-LLVKDONJSA-N 198.354 2.106 0 20 AEAD COc1ccc(Cl)cc1C1(O)CC1 54346256 BNMRNSZIFSXZKA-UHFFFAOYSA-N 198.649 2.330 0 20 AEAD CCCOc1ccc2c(c1)OCC2=O 57524430 XBHXQGAQKQUCKI-UHFFFAOYSA-N 192.214 2.051 0 20 AEAD CCC(=O)N(C)Cc1sccc1C 70224124 MWXXKZRDZWBISM-UHFFFAOYSA-N 197.303 2.425 0 20 AEAD Cc1cccc([C@H]2CNC[C@H]2C)c1 77265910 UQRYIVMYDYQAOU-PWSUYJOCSA-N 175.275 2.318 0 20 AEAD CC(C)C(=O)N(CC1CC1)CC1CC1 78830773 MBQDXCRPXCPYBZ-UHFFFAOYSA-N 195.306 2.291 0 20 AEAD CCC[C@H](CC)SCCO 82057888 HGMJPROBQZHHRL-QMMMGPOBSA-N 162.298 2.291 0 20 AEAD CCCC(=O)N1C[C@H]2CCC[C@H]2C1 82346518 DNMUHKGUNTWSTC-AOOOYVTPSA-N 181.279 2.045 0 20 AEAD Cc1cc(C)n(-c2ncccc2C)n1 82615521 WTNRPLGHWFNOCD-UHFFFAOYSA-N 187.246 2.193 0 20 AEAD CC(C)CCC[C@H](C)N[C@H]1CCNC1 86725396 HZMSWUBKGHFMLY-RYUDHWBXSA-N 198.354 2.153 0 20 AEAD C=CC1=N[C@@H](Cc2ccccc2)CO1 95930949 HCKAXABGCMKJTM-NSHDSACASA-N 187.242 2.212 0 20 AEAD COC(=O)c1cc(F)cc(F)c1C 96035822 ROPQHLXUPDZTOW-UHFFFAOYSA-N 186.157 2.060 0 20 AEAD in-vitro CC(C)C(=O)N[C@@H]1CCC(C)(C)C1 122408253 AVQKBMDRCKKKNU-SECBINFHSA-N 183.295 2.337 0 20 AEAD CC(C)(C)CCNC(=O)NC1CCC1 122877524 ITBODBAXOSHCRO-UHFFFAOYSA-N 198.310 2.274 0 20 AEAD CC1(NC[C@H]2C[C@H]3C=C[C@H]2C3)CC1 129942575 KWHWAZOBHYMMDK-GARJFASQSA-N 177.291 2.341 0 20 AEAD C[C@H](NCc1cscn1)C1CCC1 133036947 QGGFPQZXPQVXGO-QMMMGPOBSA-N 196.319 2.421 0 20 AEAD Cc1occc1S[C@H](C)C(=O)O 142997335 SGFFAYUOWYWLGI-ZCFIWIBFSA-N 186.232 2.153 0 20 AEAD CCC[C@@H]1CCCCN1C[C@H](C)O 158508783 CCKWQHAQZKWCSG-WDEREUQCSA-N 185.311 2.022 0 20 AEAD CCC1(CNC2CCOCC2)CCC1 165580028 KAUCMGCMFBHIRH-UHFFFAOYSA-N 197.322 2.335 0 20 AEAD C/C=C(/C)C(=O)OC/C=C/C 166705185 KQNAEIIOBYBBAI-NDWVUGOJSA-N 154.209 2.072 0 20 AEAD CCOc1ccc2cncnc2c1 168135977 OTEZNLYUSWDGEC-UHFFFAOYSA-N 174.203 2.029 0 20 AEAD COc1cc(O)c2occc2c1 212175628 BADSJTQDBQNQHW-UHFFFAOYSA-N 164.160 2.147 0 20 AEAD CC[C@H](C)CNCCOCC1CC1 221304587 FTYSTORBVYXCLJ-JTQLQIEISA-N 185.311 2.049 0 20 AEAD C[C@@H]1CCC[C@H](N[C@H](C)C(=O)O)CC1 226501031 WTGDGWPDMBGORX-BBBLOLIVSA-N 199.294 2.018 0 20 AEAD CC(C)C[C@H]1CCC[C@H](NCCN)C1 230769373 ZUFYQPLJXXBDFO-NEPJUHHUSA-N 198.354 2.140 0 20 AEAD CC(C)=CC(=O)N[C@H]1CC[C@@H](C)C1 300778553 OPBCLMYBXNOLOK-ZJUUUORDSA-N 181.279 2.257 0 20 AEAD C[C@@H]1C[C@H](NC2(C)CCC2)CCO1 306209562 FXRGTZWZABWHFM-NXEZZACHSA-N 183.295 2.086 0 20 AEAD C[C@H](N[C@@H]1CCC1(C)C)c1ncc[nH]1 306244351 UGZOUBXTFNRWST-DTWKUNHWSA-N 193.294 2.249 0 20 AEAD CC[C@@H]1C[C@H](C)CN1CCF 306294669 YFZIPFOXYSMAJY-DTWKUNHWSA-N 159.248 2.076 0 20 AEAD CNC(=O)C[C@@H]1CCCC(C)(C)C1 306441257 IXXUBASBCZIAQQ-VIFPVBQESA-N 183.295 2.339 0 20 AEAD COCSc1cc(C)cc(C)n1 306478639 LEKINDYVYNKTCH-UHFFFAOYSA-N 183.276 2.394 0 20 AEAD Cc1cccc(CCN2CCCC2)n1 306975390 YHKTWSYXTAMOAP-UHFFFAOYSA-N 190.290 2.028 0 20 AEAD CCSCC[C@H]1CCCO1 307088913 UKLWFSKLSSCWTF-MRVPVSSYSA-N 160.282 2.309 0 20 AEAD C[C@@H]1CC[C@H]1N[C@@H]1CC=CCC1 307211879 UKPRQADMRQDHJK-GMTAPVOTSA-N 165.280 2.483 0 20 AEAD O=C(C(F)=C1CCCC1)N1CCC1 307630124 YESJEMVUZUZBOR-UHFFFAOYSA-N 183.226 2.016 0 20 AEAD CCCN(C)CC1(SC)CC1 307901042 NEMATFAHDBDPJH-UHFFFAOYSA-N 173.325 2.224 0 20 AEAD CCCN(C)c1nnc(C2CC2)s1 308224504 MNBOVMQGDBBTCK-UHFFFAOYSA-N 197.307 2.262 0 20 AEAD CC[C@H](C)N[C@@H]1CCCC[C@H]1N(C)C 308530537 RPBIFYHKZSCKHM-QJPTWQEYSA-N 198.354 2.247 0 20 AEAD CC(C)CN[C@@H]1CCCC[C@@H]1N(C)C 308546471 VXMWSGPZPARGLN-NEPJUHHUSA-N 198.354 2.105 0 20 AEAD COC[C@@H](C)CN[C@H]1CC=C(C)CC1 308596655 MUGULPJVSNHCLK-RYUDHWBXSA-N 197.322 2.357 0 20 AEAD CCNC(=O)[C@@H](C)c1ccccc1F 335935522 KQBSUXSUHQESRJ-QMMMGPOBSA-N 195.237 2.065 0 20 AEAD CCCn1ccc(-c2ccccn2)n1 335967023 JRCWBMYBUNTSDD-UHFFFAOYSA-N 187.246 2.355 0 20 AEAD CC[C@H]1CCN(Cc2ccccn2)C1 336385328 YLDZXAFFTNUJHK-NSHDSACASA-N 190.290 2.314 0 20 AEAD CCC[C@@H](C)N(C)C[C@H](C)OC 379337635 YOHFJKHVPYZJFE-ZJUUUORDSA-N 173.300 2.142 0 20 AEAD CC[C@H](C)CC(=O)NC(C)(C)CF 379356527 OJTBLFFMORAXOM-QMMMGPOBSA-N 189.274 2.287 0 20 AEAD C[C@@H](CCO)NC1CCC2(CC1)CC2 379630940 NJJPPFVXCPTRSG-JTQLQIEISA-N 197.322 2.070 0 20 AEAD CCCC[C@@H](C)C(=O)NC1CCC1 381829139 BPSNYGDDMZQEOF-SECBINFHSA-N 183.295 2.481 0 20 AEAD CC/C=C\CN[C@@H]1CCC[C@H](OC)C1 384743055 MGRIHXWMFYBPJE-JYYSYOFASA-N 197.322 2.500 0 20 AEAD CC/C=C/CN[C@@H]1CCN(C)[C@@H](C)C1 384750160 NZTMHAUZBNCYPY-CYLBZQBVSA-N 196.338 2.025 0 20 AEAD CCC[C@H](C)NC(=O)[C@H](C)C1CC1 388322919 YCFMXRGQUXRPGF-DTWKUNHWSA-N 183.295 2.337 0 20 AEAD C/C=C/COC(=O)/C=C/CCC 388504700 NZFSWFYLUGHEPD-GFGVWQOPSA-N 168.236 2.462 0 20 AEAD Cc1ccc(CN(C)CC(F)F)o1 388611073 YNNSBFNXBXCIIB-UHFFFAOYSA-N 189.205 2.285 0 20 AEAD CC(C)OC[C@@H](C)N[C@@H]1CC=CCC1 393676520 YWJUEQRMOGRGEW-VXGBXAGGSA-N 197.322 2.498 0 20 AEAD CNC[C@@H](C)CCC(F)(F)F 396535812 JBSDZJPJPBETTP-LURJTMIESA-N 169.190 2.184 0 20 AEAD CCCN1N=C(C(C)C)CCC1=O 634592824 WCPAVNNZQXSYDD-UHFFFAOYSA-N 182.267 2.031 0 20 AEAD CCCCCNC(=O)NC[C@H]1C[C@@H]1C 642615657 WFACAVXQCGJUAV-VHSXEESVSA-N 198.310 2.132 0 20 AEAD C[C@@H](N)C[C@@H](C)NCC1CCCCC1 643455661 WASGQMNKZJBACV-GHMZBOCLSA-N 198.354 2.282 0 20 AEAD CCCCN1CC[C@@H](OC(C)C)C1 645945628 UVURVVIXJZVSKM-LLVKDONJSA-N 185.311 2.286 0 20 AEAD CC(C)C[C@@H](C)Sc1cnn[nH]1 649503006 QVWXHITYGOYZOX-SSDOTTSWSA-N 185.296 2.331 0 20 AEAD C[C@@H](N(C)Cc1ccno1)C1(C)CC1 674506333 GSPFMALFDLOVOT-SECBINFHSA-N 194.278 2.295 0 20 AEAD CC[C@H](C)CN1CCO[C@@H](C)[C@H]1C 675897180 KKVOWIRFVYLSJG-AXFHLTTASA-N 185.311 2.142 0 20 AEAD CC[C@@H]1C[C@H]1NC(=O)C1(CC)CCC1 684802325 DNSKDLDGXVLZAF-NXEZZACHSA-N 195.306 2.481 0 20 AEAD CCN(Cc1ccc(F)nc1)C(C)C 779147649 JROKUGFCMVABNI-UHFFFAOYSA-N 196.269 2.451 0 20 AEAD C/C=C(\CC)C(=O)NC1(C2CC2)CC1 789659540 VDDLHHRRNYLZBM-YCRREMRBSA-N 193.290 2.402 0 20 AEAD CC(C)=C(C)C(=O)N1CCC[C@@H]2C[C@@H]21 804301542 RKBLLFSIMDJYFA-MNOVXSKESA-N 193.290 2.354 0 20 AEAD CC(C)CONC(=O)CCCC1CC1 812538024 IXFNPOQYYILNGW-UHFFFAOYSA-N 199.294 2.271 0 20 AEAD CC[C@H](C)NC(=O)C(C)=C1CCC1 823500890 GJIBKWYGGVNTDS-QMMMGPOBSA-N 181.279 2.402 0 20 AEAD CS[C@H]1CCN(C/C=C\Cl)C1 830876791 AAYMCCNWVOTZOE-LTMVXPGCSA-N 191.727 2.176 0 20 AEAD C/C=C(\C)COC(=O)[C@@H](C)SC 842848888 MYVCGDQVJZFUAG-WVXIBAHESA-N 188.292 2.247 0 20 AEAD CC(C)C1CN(c2nccs2)C1 892964517 WIHRLMCHRDHOBQ-UHFFFAOYSA-N 182.292 2.235 0 20 AEAD Cc1ncoc1CNC1(C)CCC1 894410916 FEAVHBYKMCIQFY-UHFFFAOYSA-N 180.251 2.015 0 20 AEAD Cc1ncoc1CNCC1CC=CC1 895391279 XEAPIMPAWMKZPS-UHFFFAOYSA-N 192.262 2.039 0 20 AEAD O=C(NC/C=C/C1CC1)C1CC=CC1 1327905472 ZPNRGDBQIUWQOG-ONEGZZNKSA-N 191.274 2.035 0 20 AEAD CON(C(=O)CCC(C)C)C(C)C 1330718754 KYPLMEJPUOZROF-UHFFFAOYSA-N 187.283 2.221 0 20 AEAD Cc1cncnc1NC/C=C\C1CC1 1336923816 RGPMGLVGLIVSGC-IHWYPQMZSA-N 189.262 2.163 0 20 AEAD CC[C@@H](F)C(=O)N1CC2(CCCC2)C1 1338962138 ZVCNQBZIXXKMSM-SECBINFHSA-N 199.269 2.137 0 20 AEAD CC[C@@H](O)CN[C@@H]1C[C@H]1CC(C)(C)C 1346354719 USXZFCOIBBRYLY-HBNTYKKESA-N 199.338 2.172 0 20 AEAD CC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 37340293 LORWLKQMBRJNMT-NWDGAFQWSA-N 195.306 2.088 0 20 AEAD O=C(O)c1cccc(NCC2CC2)c1 37507334 UFDQVRHQHBWSLR-UHFFFAOYSA-N 191.230 2.207 0 20 AEAD CCC[C@H](N)c1ccc(O)cc1 39952088 RRGAECZKODLMST-JTQLQIEISA-N 165.236 2.192 0 20 AEAD CCCCC[C@@H](C)NCCCNC 43618953 UITUXVBGBAAZAD-LLVKDONJSA-N 186.343 2.154 0 20 AEAD COCC[C@H](C)N[C@@H](C)C(C)C 45018965 YNSUYKGNPABHHV-UWVGGRQHSA-N 173.300 2.046 0 20 AEAD O[C@@H](Cc1cccs1)C(F)(F)F 61893816 JEYVZLNQADAWNP-LURJTMIESA-N 196.193 2.214 0 20 AEAD CC(C)CCCN1CC[C@H](N)[C@H](C)C1 62097943 UPFIQEOEGYXBAZ-NEPJUHHUSA-N 198.354 2.092 0 20 AEAD C[C@H]1CCCN1CCCCCC(=O)O 70595978 ZNGPPJADERIZGJ-JTQLQIEISA-N 199.294 2.116 0 20 AEAD C/C=C/C(=O)NCc1ccc(C)cc1 82237606 HFOBJQYWEUUDJC-ONEGZZNKSA-N 189.258 2.187 0 20 AEAD CC1(C)CC[C@H]2NCC[C@@H]2C1 82407215 OHVJAOHMYCLYOT-RKDXNWHRSA-N 153.269 2.175 0 20 AEAD CC[C@@H](COC)N[C@@H]1CC=CCC1 84066985 QQRQAOAOPJCZRA-WDEREUQCSA-N 183.295 2.110 0 20 AEAD CC[C@H](C)CSC[C@@H](C)CO 85139139 NQYCZECDKGNVEN-IUCAKERBSA-N 176.325 2.394 0 20 AEAD CC[C@](C)(CN)[C@H](O)c1ccsc1 85914407 VUIYGYYOGYMPJB-NXEZZACHSA-N 199.319 2.157 0 20 AEAD Cc1csc(CN2CCCCC2)n1 96761475 LWQZIKGYDJDLTO-UHFFFAOYSA-N 196.319 2.437 0 20 AEAD C[C@@H]1CNc2cc(C(C)(C)C)nn2C1 107463206 QBMQHBFUOGUCTP-MRVPVSSYSA-N 193.294 2.242 0 20 AEAD Cc1ccc2c(c1)C[C@H](C=O)CC2 108368698 QHKBHNIONMQOLV-SNVBAGLBSA-N 174.243 2.299 0 20 AEAD CC(C)NCC1CCSCC1 113137574 PUDFNFVUFVINIH-UHFFFAOYSA-N 173.325 2.128 0 20 AEAD CCCC(=O)[C@@H]1Cc2ccccc2O1 125960148 XJHSWHLLFPZUAS-LBPRGKRZSA-N 190.242 2.359 0 20 AEAD CCCN[C@H](C)C1(OC)CCCC1 128921283 NEXBSVJMEXGKOD-SNVBAGLBSA-N 185.311 2.334 0 20 AEAD CCN1CCC(C(F)(F)F)CC1 140375135 YBJGAGABMXXYPF-UHFFFAOYSA-N 181.201 2.281 0 20 AEAD CCC(=O)Nc1ncc(CC)s1 146675096 FRVSFMLFUSTWPH-UHFFFAOYSA-N 184.264 2.054 0 20 AEAD CC(C)(C)CNC(=O)OCC1CC1 166445967 QTUNUHMYGUUWTJ-UHFFFAOYSA-N 185.267 2.169 0 20 AEAD Cc1c(O)cccc1C(=O)OC(C)C 168605305 XOBVECMYBLLSEL-UHFFFAOYSA-N 194.230 2.266 0 20 AEAD CCC(=O)N1CCC[C@H](C(C)C)C1 201067792 FRDLKDMXDRHTKH-JTQLQIEISA-N 183.295 2.291 0 20 AEAD Cc1cc(C)c(/C=C\C(N)=O)cc1C 208748483 IRLMOFWXZHVQHF-PLNGDYQASA-N 189.258 2.110 0 20 AEAD CCOC[C@H](C)NC[C@H]1CC1(C)C 222057525 XFJDXQMRYFZRHW-VHSXEESVSA-N 185.311 2.047 0 20 AEAD Cc1cncc(F)c1Cl 238541842 AAHGMJZGBAOSKP-UHFFFAOYSA-N 145.564 2.183 0 20 AEAD C[C@@H]1CC[C@H]([C@H](F)C(=O)O)C[C@H]1C 251840989 OEKWGPHKADRTAO-HXFLIBJXSA-N 188.242 2.481 0 20 AEAD Cc1nn(C2CCC2)c(C)c1C=O 257916772 QYLPSXHTMNQONV-UHFFFAOYSA-N 178.235 2.037 0 20 AEAD CCc1ccsc1C(=O)N1CCC1 306189962 PPCDCEZZDYCLOP-UHFFFAOYSA-N 195.287 2.156 0 20 AEAD CC[C@H](F)CN1CCSC[C@@H]1C 306445390 QKYKFJNRCRMYOX-IUCAKERBSA-N 191.315 2.172 0 20 AEAD Cc1cc(C(=O)O)nc2sccc12 307048336 BVAKYLXRDNBBRE-UHFFFAOYSA-N 193.227 2.303 0 20 AEAD CC(C)N[C@H]1CC12CCCC2 307188457 BKBIMFGGNYYHBT-VIFPVBQESA-N 153.269 2.317 0 20 AEAD C[C@H]1NCCN(CCC(C)(C)C)[C@@H]1C 307237982 OQDFESZTSKXNOP-GHMZBOCLSA-N 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AEAD FC(F)CN[C@@H]1CC[C@H]1C1CCC1 656610034 CGZNXTXPNHMKEZ-DTWKUNHWSA-N 189.249 2.420 0 20 AEAD CCCCCN(C)CC1=CCCOC1 661653473 KCMRKFVGQDDSRE-UHFFFAOYSA-N 197.322 2.455 0 20 AEAD CCOc1ccccc1N(C)CCF 677270140 KEGGAEXPIUDFJD-UHFFFAOYSA-N 197.253 2.491 0 20 AEAD CCCCN(CC)Cc1csnn1 678120904 KWTZVMRKQSZJHM-UHFFFAOYSA-N 199.323 2.160 0 20 AEAD CCCN(CC(C)C)C[C@@H](C)OC 679851472 QMBDYQWBUSJAMY-LLVKDONJSA-N 187.327 2.389 0 20 AEAD C[C@@H]1C[C@@H]1CNC/C=C\C1CC1 707853487 KRXKRQRGNVCGDQ-NWRGJWMSSA-N 165.280 2.198 0 20 AEAD CO[C@@H](C)COC(=O)C1=C(C)CCC1 747258962 OQZOEVPCTGSDPX-VIFPVBQESA-N 198.262 2.065 0 20 AEAD CCCCC(=O)OCC(=O)C1CCC1 754054268 LKNBCEYLGZRKEV-UHFFFAOYSA-N 198.262 2.089 0 20 AEAD CCC(CC)OC(=O)c1ocnc1C 754832763 OUKOAYJRCLARPO-UHFFFAOYSA-N 197.234 2.328 0 20 AEAD CC(=O)CCCC(=O)OCC1CCC1 772374002 GHFSPNXKMUXYPM-UHFFFAOYSA-N 198.262 2.089 0 20 AEAD CCN(Cc1ccc(F)nc1)C1CC1 779153728 JWZXORGTXJFRDA-UHFFFAOYSA-N 194.253 2.205 0 20 AEAD CC(F)(F)CNC1CC(C(F)F)C1 816642673 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141.258 2.271 0 20 AEAD CCC(O)(CC)CN[C@H]1CCC[C@@H]1C 83463590 BSHSTGBZQARYBB-QWRGUYRKSA-N 199.338 2.316 0 20 AEAD O=C(C1CC1)N1CCC[C@@H]2CCC[C@H]21 83702710 CFOBKAZGNZRSJN-GXSJLCMTSA-N 193.290 2.188 0 20 AEAD OCC1(NCCC2CC2)CCCCC1 83926521 ZKHUOIFBRNUZDV-UHFFFAOYSA-N 197.322 2.071 0 20 AEAD CC(C)C(=O)Nc1cccc(Cl)n1 96561795 SBMPXEQQNNATLS-UHFFFAOYSA-N 198.653 2.330 0 20 AEAD CC[C@H]1CCCN(C(=O)N(C)C)CC1 124316932 SRERTQOIYLFUST-JTQLQIEISA-N 198.310 2.180 0 20 AEAD CC[C@@H](C)CNC[C@@H](O)CC(C)C 128885687 KPNQNKHLCLRLER-MNOVXSKESA-N 187.327 2.029 0 20 AEAD C[C@H](NC1CCCCC1)[C@H]1CCOC1 132062170 MVVKYGKZRGXBLV-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD CSC[C@@H](C)N[C@@H](C)C(C)C 133952937 RYSRYUBPBIEDEW-BDAKNGLRSA-N 175.341 2.372 0 20 AEAD CC[C@@H](Nc1cnn(C)c1C)C1CC1 134387001 PNKHZLXMTMUWEJ-SNVBAGLBSA-N 193.294 2.329 0 20 AEAD CC1CCC(O)(CN2CCCC2)CC1 134748490 CJUQFZRFNAHYLW-UHFFFAOYSA-N 197.322 2.023 0 20 AEAD CCOC1CC(NC[C@H](C)C2CC2)C1 162473509 VTUGGRNWPFUBLJ-GCVQQVDUSA-N 197.322 2.190 0 20 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SQEDUMMLWBTJNZ-GHMZBOCLSA-N 195.306 2.291 0 20 AEAD CCC[C@@H]1CCCN([C@@H](C)[C@@H](C)O)C1 708386311 UQFRVNMWQQCDRL-QJPTWQEYSA-N 199.338 2.268 0 20 AEAD CC[C@@H]1[C@@H]([C@H]2CCCCN2)C1(F)F 719064150 GJVLIGAXGCWTTR-HLTSFMKQSA-N 189.249 2.420 0 20 AEAD C/C=C(\C)C(=O)OC[C@@H]1CCCCO1 751114435 RNYYJMVHKLSIRV-RZCNENHTSA-N 198.262 2.065 0 20 AEAD CCC[C@@H](C)CC(=O)Nc1ccon1 771485377 QAAZTGQBCVWANW-MRVPVSSYSA-N 196.250 2.439 0 20 AEAD CCN(Cc1cncc(F)c1)C(C)C 779148247 ZVDDSSYILUZFBM-UHFFFAOYSA-N 196.269 2.451 0 20 AEAD Cc1ccc(N[C@@H](C)CCO)c(F)c1 779422783 XZBPBTCIHXNAFN-VIFPVBQESA-N 197.253 2.317 0 20 AEAD CO[C@@H]1CCN(C[C@@H](C)CC(C)C)C1 799126198 VZZKRMDTJJDDME-NWDGAFQWSA-N 199.338 2.389 0 20 AEAD C/C=C(\C)C(=O)O[C@@H]1CC[C@@H](OC)C1 800042033 KUOYGAFCHGUPPQ-PSVJHUJZSA-N 198.262 2.063 0 20 AEAD CC(C(=O)NC[C@@H]1C[C@H]1C)=C1CCC1 825072521 GXMCCBGNOWLHNF-KCJUWKMLSA-N 193.290 2.259 0 20 AEAD C[C@H](NC(=O)O)[C@H](C)c1ccccc1 825191861 AYOBINOAFUCTRL-IUCAKERBSA-N 193.246 2.446 0 20 AEAD CC(=O)c1nccn1CCC=C(C)C 853694407 OMAXVFLSFJNELH-UHFFFAOYSA-N 192.262 2.442 0 20 AEAD Fc1ccc(NCC2=CCCC2)nn1 865950122 CSMHPZBVJQXAQG-UHFFFAOYSA-N 193.225 2.138 0 20 AEAD CC(=O)NC1(C2CCCCC2)CC1 885401146 MEKBBLQLEHTYLF-UHFFFAOYSA-N 181.279 2.235 0 20 AEAD CC/C(C)=C/C(=O)N[C@@]12CCC[C@@H]1C2 887032981 FMIJOHRLXUYVPY-URGSKGIXSA-N 193.290 2.402 0 20 AEAD C/C(Cl)=C\C(=O)NC1CCCC1 899928918 VYEVOQFLRSEMRE-VOTSOKGWSA-N 187.670 2.188 0 20 AEAD CC[C@H](CO)Sc1ccncc1C 917777258 BICFMBHQXCSOSX-SECBINFHSA-N 197.303 2.253 0 20 AEAD C=C/C=C/CCn1cc(C)sc1=O 920339571 KGTKWLMMJAPWLZ-SNAWJCMRSA-N 195.287 2.351 0 20 AEAD CCO[C@H]1CCN(CC2CC(C)C2)C1 932968880 PAQLNEADGAFEIZ-MCIGGMRASA-N 197.322 2.143 0 20 AEAD CC(C)[C@H](C)C(=O)N1CC2(CCC2)C1 1137429245 OSLNPADPIMBCQN-JTQLQIEISA-N 195.306 2.291 0 20 AEAD CC(C)ONC(=O)C[C@@H]1CCC[C@@H]1C 1330658387 BDGWNSPUMRTDDZ-UWVGGRQHSA-N 199.294 2.269 0 20 AEAD CC(C)N(C(=O)[C@@H]1C[C@@H]1F)C1CCC1 1338619127 NKQBPQIJFRBFDF-ZJUUUORDSA-N 199.269 2.134 0 20 AEAD CC[C@H](C)C(=O)NCCCC(F)F 1354258554 SVOGRKFNPUMPST-ZETCQYMHSA-N 193.237 2.194 0 20 AEAD CCN(C(=O)[C@@H]1C[C@@H]1F)C1CCCC1 1518007356 CYAIXMDUHMKUID-ZJUUUORDSA-N 199.269 2.136 0 20 AEAD CC/C=C/COC(=O)[C@H](F)CC 1519489202 ORNIZWOFOKYJGZ-HQZHTGGTSA-N 174.215 2.244 0 20 AEAD CCC(=O)c1oc(C)cc1C 15019557 FKICBCSIEOCHKT-UHFFFAOYSA-N 152.193 2.489 0 20 AEAD CC(C)CC[C@@H](C)NC[C@H]1CCOC1 20122956 ZQGNYZLUHKSGTM-VXGBXAGGSA-N 199.338 2.437 0 20 AEAD COc1cccc2c1CC[C@@H](F)C2=O 34528806 IPVLUYYIXCVACP-SECBINFHSA-N 194.205 2.162 0 20 AEAD Cc1cccc(N[C@@H](C)CC(=O)O)c1 35747478 JZHRLKDYSPLBMM-VIFPVBQESA-N 193.246 2.270 0 20 AEAD CCCCCN1CCC[C@H](CNC)C1 40601079 ZIOXNXWJLSCVHJ-GFCCVEGCSA-N 198.354 2.108 0 20 AEAD CCNC1CCN(C[C@@H](C)CC)CC1 50423188 DQKVUJZKSLJIHI-NSHDSACASA-N 198.354 2.106 0 20 AEAD CCCN(CCCCCO)CC1CC1 51019951 RCNOWWINRSXSCB-UHFFFAOYSA-N 199.338 2.271 0 20 AEAD Cc1ccnc(OCC(C)C)c1N 70063123 IERJRHBETLEJDY-UHFFFAOYSA-N 180.251 2.007 0 20 AEAD COC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C 82857117 RCLIWTFFABLEHZ-FIQHERPVSA-N 199.338 2.436 0 20 AEAD CC(C)CCN[C@H]1CCCOCC1 83424346 ZGDSLLNPPVURGD-NSHDSACASA-N 185.311 2.191 0 20 AEAD N[C@H](CC1CCC1)CC(F)(F)F 83841219 UVKWVOZCFXIERH-SSDOTTSWSA-N 181.201 2.456 0 20 AEAD CC1(C)C(Nc2cnccn2)C1(C)C 86240516 ISAFIEOPULIHPG-UHFFFAOYSA-N 191.278 2.323 0 20 AEAD C[C@@H](O)[C@@H](C)Nc1cccc(F)c1 87126758 OQATYNZCSHRTTF-HTQZYQBOSA-N 183.226 2.007 0 20 AEAD Oc1cc(F)c(F)c2cccnc12 95884005 BALXJPBTJFUYEQ-UHFFFAOYSA-N 181.141 2.219 0 20 AEAD Cc1ccc([C@@](C)(F)CN)cc1C 108294097 ACLKEQSFNWOWFR-NSHDSACASA-N 181.254 2.447 0 20 AEAD CC(C)NC(=O)[C@@H]1CCC[C@@H](C)C1 118089809 MHWCEHCJEVINPN-NXEZZACHSA-N 183.295 2.337 0 20 AEAD CC(C)(O)CCN[C@H]1CCC(C)(C)C1 125019728 NXEMETXDEKZDTN-JTQLQIEISA-N 199.338 2.316 0 20 AEAD C[C@@H]1CCN(CCC(C)(C)O)C[C@@H]1C 160977410 YNUDDPPNWYVEKW-MNOVXSKESA-N 199.338 2.125 0 20 AEAD CCC(O)(CC)CN(C)CC1CCC1 163010844 BNLILWKIWXZHNR-UHFFFAOYSA-N 199.338 2.269 0 20 AEAD CC(C)NC(=O)C1(C)CCCCC1 167183491 ULJBGQYUZAKQTA-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CCCN[C@@H]1C[C@@H](N)c2ccccc21 169229234 SUXBOEQFTHWDGT-VXGBXAGGSA-N 190.290 2.131 0 20 AEAD COc1cnc(C)cc1Cl 211798587 QODFPTGXGYIDCW-UHFFFAOYSA-N 157.600 2.052 0 20 AEAD CC[C@@H](N[C@@H](C)c1cn[nH]c1)C(C)C 222504638 LIHWPSHMPYNKKA-GXSJLCMTSA-N 195.310 2.495 0 20 AEAD C[C@H]1C[C@@H]1CN[C@H](C)CC1CC1 222797294 LHNJUVHNRPFWIM-IQJOONFLSA-N 167.296 2.421 0 20 AEAD CC[C@H](C)N[C@@H]1CCC[C@@H]2OCC[C@H]21 227937704 NYVXUWXOEPBKTF-YFKTTZPYSA-N 197.322 2.332 0 20 AEAD C[C@H](O)[C@H](C)SCC1CCC1 231173060 KENQYTUUTSQNLK-YUMQZZPRSA-N 174.309 2.289 0 20 AEAD CCC[C@H](O)CN1CCCC[C@H]1C 251112220 GMBMULALQLGNAA-MNOVXSKESA-N 185.311 2.022 0 20 AEAD CO[C@H](C)CN[C@@H]1C[C@H](C)CC[C@H]1C 299892796 DIZUZXQHSKXTOF-DDHJBXDOSA-N 199.338 2.436 0 20 AEAD C[C@H]1Cc2ccccc2N1CCF 306355470 JNXAXOYPOGMTHZ-VIFPVBQESA-N 179.238 2.407 0 20 AEAD CC(C)=CCN1CC[C@H](O)C(C)(C)C1 306363236 XANITAHOTSKAHH-NSHDSACASA-N 197.322 2.045 0 20 AEAD CC(C)CN1CC[C@@H](O)CC(C)(C)C1 306523496 SQULRUJENUZKCO-LLVKDONJSA-N 199.338 2.125 0 20 AEAD Cc1ccnc(NCCC2(C)CC2)n1 306524778 NYYWKLPHCBOVSF-UHFFFAOYSA-N 191.278 2.387 0 20 AEAD CC(C)=CCN[C@@H]1CC[C@@H]1C 306613009 JTPRNPNVVLXJRW-VHSXEESVSA-N 153.269 2.341 0 20 AEAD c1coc(CN2CCC23CCC3)c1 307149775 RXFYNHGTUFKXQV-UHFFFAOYSA-N 177.247 2.408 0 20 AEAD CNC[C@]1(OC)CCCC(C)(C)C1 307470524 VULLRCJEXCADFY-NSHDSACASA-N 185.311 2.191 0 20 AEAD C[C@@H]1CSC[C@H]1NCC1(C)CC1 307645224 XRMXNAIFYMYUIT-RKDXNWHRSA-N 185.336 2.128 0 20 AEAD CCC(CC)OC(=O)C(C)(C)F 307957539 SGRPFPKSZYNQJU-UHFFFAOYSA-N 176.231 2.466 0 20 AEAD CCC[C@H](C)C(=O)OCC(F)F 308066948 ZEXDQXUSPBNHSM-LURJTMIESA-N 180.194 2.231 0 20 AEAD CC(C)CCOC(=O)c1cncs1 308166287 XTNBAXMGCZAWTM-UHFFFAOYSA-N 199.275 2.346 0 20 AEAD CC(C)CCOC(=O)c1nccs1 308224819 DMRFGEZIJAGLLR-UHFFFAOYSA-N 199.275 2.346 0 20 AEAD CC[C@@H](CN[C@H](C)CC(C)C)OC 308243176 SYDJMOBCVQKDRP-MNOVXSKESA-N 187.327 2.436 0 20 AEAD CCC(=O)N(C1CC1)[C@H](C)C(C)C 308320736 YMURHHLAGOZGHW-SECBINFHSA-N 183.295 2.432 0 20 AEAD CCN(C)C(=O)/C=C(/C)C(C)(C)C 308368589 PEWHTNOJWCZHGO-HJWRWDBZSA-N 183.295 2.457 0 20 AEAD CCCCC(=O)N1CCC[C@H]2C[C@H]21 308483756 OFZYGJUKWPOLJR-VHSXEESVSA-N 181.279 2.188 0 20 AEAD C[C@@H]1CCCN(Cc2cc[nH]n2)[C@@H]1C 334219003 FIWGQFARZZJUGT-NXEZZACHSA-N 193.294 2.030 0 20 AEAD CNC(=O)N1CCCC[C@H]1CC(C)C 334857689 YZYYJQVBGIPBOE-JTQLQIEISA-N 198.310 2.226 0 20 AEAD CCCC(=O)N1CCC[C@@H]1C(F)F 335574246 REGMWPBJTYCPAH-SSDOTTSWSA-N 191.221 2.043 0 20 AEAD O=C(C1CC1)N1CC[C@@H](CC2CC2)C1 335796752 FOQAHXLQOWDWIW-JTQLQIEISA-N 193.290 2.045 0 20 AEAD CNC(=O)N(C)[C@@H](C)C1CCCCC1 335831655 BXJWHOGRZCKCCR-VIFPVBQESA-N 198.310 2.226 0 20 AEAD CC/C=C/CNC(=O)N1CCC[C@H]1C 336287457 NDGJYQBNXNJKBA-ORAHPGNNSA-N 196.294 2.147 0 20 AEAD C/C=C\C(=O)N[C@H]1CC[C@H](C)CC1 379259227 MBUMPIBJDSXUHZ-BYWPYVJASA-N 181.279 2.257 0 20 AEAD CCCCOC(=O)[C@@H](CC)SC 379319333 PYYLBTMSUKYNJJ-MRVPVSSYSA-N 190.308 2.471 0 20 AEAD CO[C@H](C)CCN[C@H](C)C(C)C 379324962 AGECJYOGIQSQOB-NXEZZACHSA-N 173.300 2.046 0 20 AEAD CCCN(CC)c1ncccc1F 388255443 BEYYVJAKHLNZHS-UHFFFAOYSA-N 182.242 2.457 0 20 AEAD CC(C)OCCCN[C@@H]1CC[C@@H]1C 388618625 GGAVHDDKXRIUAI-WDEREUQCSA-N 185.311 2.190 0 20 AEAD CC[C@H](C)[C@H](C)NC[C@](C)(O)C1CC1 389293276 DOMSCBJQBDEMKW-NHCYSSNCSA-N 199.338 2.172 0 20 AEAD CN(C)C(=O)NCCC(C)(C)C1CC1 392821615 QZSCLFUMHUCZLJ-UHFFFAOYSA-N 198.310 2.084 0 20 AEAD CCC(CC)CNC[C@H](OC)C1CC1 393426507 MTJDMLAPVFVLOI-LBPRGKRZSA-N 199.338 2.437 0 20 AEAD CC/C=C\CN[C@@H](C)c1nccn1C 395252453 UEQYZZOINFOMGW-OMMCCPJFSA-N 193.294 2.037 0 20 AEAD N[C@H]1c2ccc(F)cc2CC[C@@H]1F 536954417 UGXNUAISYZOWCP-UWVGGRQHSA-N 183.201 2.110 0 20 AEAD CCCC(=O)N(CC)c1cccnc1 589974906 NCDFBXJKFGIBFG-UHFFFAOYSA-N 192.262 2.235 0 20 AEAD CC1CC(CNCc2nccs2)C1 621384046 YZMQWKRTGAJHFR-UHFFFAOYSA-N 196.319 2.279 0 20 AEAD C[C@H]1OCC[C@@H]1CN(C1CC1)C1CC1 639893408 ROZIDMHBCGHBLW-NXEZZACHSA-N 195.306 2.038 0 20 AEAD C[C@H](N)C[C@H](C)NC[C@H]1CC[C@@H](C)C1 643487022 WRZVHVVCRDCJFD-RHYQMDGZSA-N 198.354 2.138 0 20 AEAD COC[C@H](C)NC[C@@H]1C[C@H]1C1CCC1 643692246 YSJPOTGMEBEKTF-DLOVCJGASA-N 197.322 2.047 0 20 AEAD Cc1cc(CNC[C@H]2C[C@@H]2C)ccn1 648660302 NZMNPIKMHPJRDK-JOYOIKCWSA-N 190.290 2.136 0 20 AEAD CCCN(C)[C@@H]1C[C@@H](OC)C12CCC2 650184141 CQTWKWOKQPSBIH-GHMZBOCLSA-N 197.322 2.286 0 20 AEAD CCCCC[C@@H]1CCCN1C[C@H](C)N 652343673 DDQKAWREYRXEKU-NWDGAFQWSA-N 198.354 2.378 0 20 AEAD CCC1CCC(NC[C@H](N)CC)CC1 666911168 CLTAZHUHRQXGTJ-MOENNCHZSA-N 198.354 2.282 0 20 AEAD CCCN(CC)C(=O)[C@H]1C[C@H]1C1CC1 674338468 SQEDUMMLWBTJNZ-QWRGUYRKSA-N 195.306 2.291 0 20 AEAD CC[C@]1(O)CCN(CCC(C)(C)C)C1 681709057 AANVEBBTOLKBHA-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD CC[C@]1(C)CN(C[C@@H]2C[C@H]2C)CCO1 683110874 QABQEFAJFHRIAS-GRYCIOLGSA-N 197.322 2.143 0 20 AEAD C[C@@H]1CN(C[C@H]2C[C@H]2C)CC(C)(C)O1 683111896 VXOODHRLVOMVSH-GMTAPVOTSA-N 197.322 2.142 0 20 AEAD C[C@H]1CC[C@@H](CNC(=O)CC2CC2)C1 684513619 KIOOFLWSXCYCCQ-GXSJLCMTSA-N 195.306 2.339 0 20 AEAD CC1(C)C[C@H](N[C@@H]2C=CCC2)CCO1 698326328 IGJWETZGIYPSHU-GHMZBOCLSA-N 195.306 2.252 0 20 AEAD CC(C)C(=O)CCN1CCC[C@@H](C)C1 808708221 JOBOFGCUGWGOQS-LLVKDONJSA-N 197.322 2.334 0 20 AEAD C/C=C(\CC)C(=O)Nc1ncc(C)[nH]1 810536351 QCLMODGCEWCCRA-XBXARRHUSA-N 193.250 2.013 0 20 AEAD CCc1cc(N2C[C@H]3C[C@@H]3C2)ccn1 884591612 VSMXMNZOAQYLOY-NXEZZACHSA-N 188.274 2.100 0 20 AEAD F[C@H]1CCCN(CC2CC=CC2)C1 902992078 GSKGLYMLDVYZDZ-NSHDSACASA-N 183.270 2.387 0 20 AEAD CC[C@@H](C)NCCc1cccnc1C 903415461 IVUZOZIXHGZNNP-SNVBAGLBSA-N 192.306 2.321 0 20 AEAD C[C@H](CO)N[C@H]1CCC[C@H]1C(C)(C)C 924752424 OZVPXIWHKHHOIQ-MXWKQRLJSA-N 199.338 2.172 0 20 AEAD CCCNC(=S)N[C@H](C)CCC 13821539 JMFRWOHEUYSRAE-MRVPVSSYSA-N 188.340 2.049 0 20 AEAD CC[C@H](C)SC[C@@H](C)C(=O)O 35756630 KYMUFIBLFDYWPE-RQJHMYQMSA-N 176.281 2.239 0 20 AEAD CC(C)NC[C@H](C)CN1CCCCC1 38041833 ZCUNBQNENBPWFA-LBPRGKRZSA-N 198.354 2.106 0 20 AEAD CCCC[C@@H](CC)CNC[C@H](C)O 43454755 REXJCBMOZQOZCK-WDEREUQCSA-N 187.327 2.173 0 20 AEAD CC(C)CCOCCN[C@@H](C)C1CC1 44387429 ARYKBQWZGNHKCT-NSHDSACASA-N 199.338 2.437 0 20 AEAD CC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C 48235508 HFXFURKYKLWCAH-GARJFASQSA-N 185.311 2.020 0 20 AEAD C=CC(=O)N[C@H](C)C1CCCCC1 52340627 QYZRGBXUPPZFKT-SECBINFHSA-N 181.279 2.257 0 20 AEAD CCCCCN(C)C[C@@H]1CCC[C@@H]1O 53883042 RYHUSICRNDCRIN-RYUDHWBXSA-N 199.338 2.269 0 20 AEAD C[C@H]1CCC[C@@H](NC(=O)C2CC2)C1 70225831 HZIWCVZUOUQPON-WCBMZHEXSA-N 181.279 2.091 0 20 AEAD CCC[C@H](C)N(C)C(=O)C1CC1 70226544 QCDHGRXGTBEUFL-QMMMGPOBSA-N 169.268 2.043 0 20 AEAD O=C(Nc1cccc(F)c1F)C1CC1 70232538 WIHQYHCFEMSJGR-UHFFFAOYSA-N 197.184 2.313 0 20 AEAD CCC(CC)N[C@H](CC)COC 70623630 RONOVYJECZPIAW-SNVBAGLBSA-N 173.300 2.190 0 20 AEAD COC(=O)N1CCC[C@@H]1C1CCC1 82355551 AFISJEYFFHWZFE-SECBINFHSA-N 183.251 2.017 0 20 AEAD CC[C@H](O)CN1CCC[C@H]2CCC[C@@H]21 83701809 FLNWKCXDLBDXCP-WOPDTQHZSA-N 197.322 2.022 0 20 AEAD CC(C)(C)CNCc1ncccc1F 125769811 RSKOJBAPSNXBHA-UHFFFAOYSA-N 196.269 2.356 0 20 AEAD CC1CC(Nc2ncncc2Cl)C1 163647292 FOPZUTVLUIYBJB-UHFFFAOYSA-N 197.669 2.340 0 20 AEAD CC[C@H](C)CC(=O)NCC(C)C 164442401 HTTAZAUQKZCGFP-VIFPVBQESA-N 171.284 2.195 0 20 AEAD CC[C@@H](NC[C@H](C)OC)C(C)C 167032914 LTAHUIXMJQKQGD-VHSXEESVSA-N 173.300 2.046 0 20 AEAD c1cc(SCc2ccon2)ccn1 196153522 LNTHCFCSIZSNBM-UHFFFAOYSA-N 192.243 2.362 0 20 AEAD CCC[C@H]1CCCN1C(=O)OC 196925778 ODKIHPSJRDBWEG-QMMMGPOBSA-N 171.240 2.017 0 20 AEAD CC[C@H](O)CCN[C@@H]1CCC[C@@H]1CC 224593151 MCGKRSUPTDZSMQ-SDDRHHMPSA-N 199.338 2.316 0 20 AEAD CC(C)=CCNC[C@@H]1C[C@@H]1C 235609665 IUJODXXKUNLBOB-UWVGGRQHSA-N 153.269 2.198 0 20 AEAD CN(CCNC(C)(C)C)C(C)(C)C 238304931 SQHOTZDDHFACKV-UHFFFAOYSA-N 186.343 2.105 0 20 AEAD CC(C)CNC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 300372957 XTBYYCALEUTGIR-NAKRPEOUSA-N 179.307 2.277 0 20 AEAD C[C@H]1CC[C@H](NC(=O)C(C)(C)F)C1 306148154 BKOJJODBUXWAFJ-YUMQZZPRSA-N 187.258 2.039 0 20 AEAD CCc1noc(NCC(C)(C)C)n1 306428679 NFDADSIRNPEXDX-UHFFFAOYSA-N 183.255 2.090 0 20 AEAD CCCC1(c2nnc(C)o2)CC1 306514630 UYIFRGQYGNZSOZ-UHFFFAOYSA-N 166.224 2.210 0 20 AEAD O=C(NC1CC1)[C@H]1CC2CCC1CC2 306526764 VNUWKEZVGVMMSU-AMUVOQDHSA-N 193.290 2.091 0 20 AEAD CCN[C@@H]1[C@@H](C)CC[C@H]1C 306884430 QHYJTCYNFMOITI-BRPSZJMVSA-N 141.258 2.031 0 20 AEAD Cc1ncccc1NC[C@H]1C[C@H]1C 307130056 KLUSZZNVSGGOSP-PSASIEDQSA-N 176.263 2.458 0 20 AEAD COc1ccccc1[C@H](C)[S@](C)=O 307423852 IUBVLZZKNIQXFW-SDBXPKJASA-N 198.287 2.135 0 20 AEAD COc1ccsc1-c1nnc(C)o1 307487880 CVPPRHLSTKFKDB-UHFFFAOYSA-N 196.231 2.115 0 20 AEAD CCC1(CNC(=O)C(C)(C)F)CC1 308132299 FRXVKPOWHWQDCK-UHFFFAOYSA-N 187.258 2.041 0 20 AEAD c1cnc(SCOC2CCC2)nc1 308272824 TUZXYWWJVJYUDT-UHFFFAOYSA-N 196.275 2.095 0 20 AEAD CC[C@@H](C)N(C)C(=O)[C@H](C)C1CC1 308314430 UKRLMZJPJHNCHA-RKDXNWHRSA-N 183.295 2.289 0 20 AEAD COCC[C@@H](C)NC1CC(C)(C)C1 308482386 NSPNJCDEEXORSI-SECBINFHSA-N 185.311 2.190 0 20 AEAD CCCC[C@@H](CC)NCCN1CCC1 308501330 GTKHIPISCQEBLU-GFCCVEGCSA-N 198.354 2.251 0 20 AEAD CC[C@H](O)CN[C@@H]1CCC[C@@H]1C(C)C 308550486 XIKPERPGXQZYMR-QJPTWQEYSA-N 199.338 2.172 0 20 AEAD 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c1cc(CN[C@@]23CCC[C@H]2C3)sn1 630073450 UYIYCDQNQSZYEX-WCBMZHEXSA-N 194.303 2.175 0 20 AEAD CC(C)(C)CN[C@@H](CO)CC1CCC1 630343433 NKEXOHDXUHGHAG-LLVKDONJSA-N 199.338 2.173 0 20 AEAD CC[C@H](C)[C@@H](CN[C@@H]1CC1(C)C)OC 638405796 BGJGVFOVERDSAT-HBNTYKKESA-N 199.338 2.436 0 20 AEAD CC[C@H](NCCNC)c1cccs1 643504504 ZVWFLDGEJHOZGN-VIFPVBQESA-N 198.335 2.008 0 20 AEAD CC[C@@H]1CC[C@@H](C)C[C@H]1NCCNC 643504680 XKQJWRHFGWOESS-IJLUTSLNSA-N 198.354 2.010 0 20 AEAD CC[C@@H]1C[C@H]1NC[C@@H](O)CCC(C)C 644639079 AJPKADPMKSSPTM-GRYCIOLGSA-N 199.338 2.172 0 20 AEAD CC[C@H]1C[C@H](NC2(C)CCC2)CCO1 648502575 PTNUNOCRWYEUQB-MNOVXSKESA-N 197.322 2.476 0 20 AEAD C[C@@H](NC[C@@H](O)C1CCC1)C(C)(C)C 651474409 UAWUJFJMSUFZEU-MWLCHTKSSA-N 199.338 2.172 0 20 AEAD CCCN(C)C(=O)[C@@H](C)C1CCC1 654923503 USYMSHKJHJOETB-VIFPVBQESA-N 183.295 2.291 0 20 AEAD CC(C)[C@@H](C)N[C@H](C)c1ccn(C)n1 657225366 CSULNSMQKIIELU-NXEZZACHSA-N 195.310 2.115 0 20 AEAD CC1(C)C[C@@]1(C)NCc1ccccn1 657760737 QPWSIWJJCFRJMM-GFCCVEGCSA-N 190.290 2.360 0 20 AEAD CC(C)CN1CCCC[C@H]1[C@@H](C)CO 661434508 OQDJDRIJJBZATR-RYUDHWBXSA-N 199.338 2.125 0 20 AEAD CNC[C@H](C)N[C@H](C)c1ccsc1 665294200 KDPJCFAQMGQGFW-DTWKUNHWSA-N 198.335 2.007 0 20 AEAD CC(C)[C@H]1CCN([C@H]2CCCOC2)C1 674867850 KEFQSGNGSUGJPZ-RYUDHWBXSA-N 197.322 2.143 0 20 AEAD CCCCN1C[C@H](C)N(CC)C[C@H]1C 677987514 ACWYAGBPCMIHAI-NWDGAFQWSA-N 198.354 2.201 0 20 AEAD CC(C)[C@H]1CN(CC2CCC2)CCO1 679222576 OIEZHXLBULCGCM-GFCCVEGCSA-N 197.322 2.143 0 20 AEAD CCCCCNC(=O)NCC=C(C)C 682845667 VZFYDEIEUMUISY-UHFFFAOYSA-N 198.310 2.442 0 20 AEAD CCCONC(=O)C1(C)CCCCC1 686769872 OSJRXBMAISBDLH-UHFFFAOYSA-N 199.294 2.415 0 20 AEAD CC[C@@H]1COC[C@@H]1N[C@@H]1CCC1(C)C 699468735 IEWDNYWBFDFSJK-OUAUKWLOSA-N 197.322 2.190 0 20 AEAD C=C=CCNC(=O)/C=C1\CC[C@@H](C)C1 816698110 GPPZXPWHHRZUFU-OYVNLZQHSA-N 191.274 2.190 0 20 AEAD CC[C@H](C)[C@H](NCC=C(C)C)C(=O)O 820465399 FQRWWDYROGXDIK-UWVGGRQHSA-N 199.294 2.042 0 20 AEAD C[C@H]1CN(c2nccs2)C[C@@H]1C 846749684 OLXWPOQBQZGTPP-YUMQZZPRSA-N 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197.234 2.330 0 20 AEAD O=C(O)N1CC[C@@H]1c1cccc(F)c1 831968966 GPPLBSXRYYOHMW-SECBINFHSA-N 195.193 2.251 0 20 AEAD CCc1nnc(-c2cc(C)sn2)o1 1255127374 ZCWOGGQTJNGXHN-UHFFFAOYSA-N 195.247 2.064 0 20 AEAD C[C@H](C(=O)O)c1ccc2c(c1)CCC2 36156570 ITXZGGXWFWJKSF-QMMMGPOBSA-N 190.242 2.363 0 20 AEAD CC[C@H](C)N(C)CCNC1CCCC1 37482446 DHCCDIQYXORHLV-NSHDSACASA-N 198.354 2.249 0 20 AEAD Clc1nccnc1NC1CCCC1 43537553 DBVGJQBQUABNJX-UHFFFAOYSA-N 197.669 2.485 0 20 AEAD C[C@H](NC1CCC1)c1ccco1 44480657 FQQVOPLLYOQMDP-QMMMGPOBSA-N 165.236 2.483 0 20 AEAD CC[C@@H](C)S[C@@H](C)C(=O)OC 48484853 YKURSDCQHCVKLS-RQJHMYQMSA-N 176.281 2.080 0 20 AEAD COCc1ccc(CNC(C)(C)C)o1 52602281 OZVUILVDWGVNMM-UHFFFAOYSA-N 197.278 2.314 0 20 AEAD NC[C@H]1C[C@@]12CCCc1ccccc12 54587387 VMSMCNSSOIREHC-YPMHNXCESA-N 187.286 2.239 0 20 AEAD in-vitro CC1(NC[C@H]2CCCOC2)CCCC1 82581149 QYYWFHAXMOBDEO-LLVKDONJSA-N 197.322 2.335 0 20 AEAD CCC[C@@](C)(NCCC1CC1)C(=O)O 83934801 FQHVXCUTGNLHSL-LLVKDONJSA-N 199.294 2.020 0 20 AEAD CC(C)(C)C(=O)C[C@@H]1CCCCN1 86499687 CNDZKIDLFQJMCH-VIFPVBQESA-N 183.295 2.134 0 20 AEAD COC[C@H](C)N[C@H]1CCCC1(C)C 86855671 NKQAZODFUUSZKN-UWVGGRQHSA-N 185.311 2.190 0 20 AEAD CSCCN[C@H](C)c1ccoc1 87290271 VNUMPHYRESQMPX-MRVPVSSYSA-N 185.292 2.293 0 20 AEAD CCc1ccc(F)c(OC)c1 98177513 WQJKYPARVGMVFG-UHFFFAOYSA-N 154.184 2.397 0 20 AEAD COC[C@H](N[C@@H]1CC[C@@H](C)C1)C1CC1 122210027 FDFDKRHIGVKRDT-JLLWLGSASA-N 197.322 2.190 0 20 AEAD CC(C)CNC[C@@]1(C)CCCC[C@@H]1O 127725742 QLGROZIUQKJWCH-NWDGAFQWSA-N 199.338 2.173 0 20 AEAD CC[C@@H]1Oc2c(C)cc(F)cc2C1=O 129259802 GHJROOYGTXUPHJ-VIFPVBQESA-N 194.205 2.488 0 20 AEAD C[C@@H]1OCC[C@@H]1NC1CCCCCC1 133938855 UNTLCSCGUVZZLB-JQWIXIFHSA-N 197.322 2.476 0 20 AEAD C[C@H](c1cnccn1)N1CCCCC1 145520467 OICYJSDJMSDCGG-SNVBAGLBSA-N 191.278 2.024 0 20 AEAD C[C@@H](NCc1ncccn1)C(C)(C)C 162730570 SCHBGHANEFKZJM-SECBINFHSA-N 193.294 2.001 0 20 AEAD C[C@H](CNCC(C)(C)C)N(C)C1CC1 163903935 BDOGYIHSUOKQFZ-SNVBAGLBSA-N 198.354 2.105 0 20 AEAD CC[C@H](C)NC[C@@H](CC)N1CCCC1 166586309 SWJSKVLAWJNPBJ-NWDGAFQWSA-N 198.354 2.249 0 20 AEAD Cc1ccccc1S(=O)(=O)C(C)C 197635900 XSCXQYCCQCKQEJ-UHFFFAOYSA-N 198.287 2.177 0 20 AEAD CCc1cccc([C@@H]2C[C@H]2C(=O)O)c1 204290561 KSYQQQMCWSFKFL-WDEREUQCSA-N 190.242 2.437 0 20 AEAD C/C=C\C(=O)N1CCC(C)(C)CC1 211423991 OAOIBAGMEDPEPD-PLNGDYQASA-N 181.279 2.211 0 20 AEAD C[C@@H]1C[C@@H](Nc2ccccn2)CCO1 220093583 BOQRKALCEKFWFB-ZJUUUORDSA-N 192.262 2.061 0 20 AEAD CC(C)CN[C@H]1CCS[C@H]1C 220498180 MENASOGSOBVDHY-IUCAKERBSA-N 173.325 2.126 0 20 AEAD CCC(C)(C)NCCNC(C)(C)C 224496719 RCWPTKAEBMDART-UHFFFAOYSA-N 186.343 2.153 0 20 AEAD CC1(C)C[C@@H]1C(=O)N1CCCCC1 228630346 WLCYAVXIVVVDJO-SECBINFHSA-N 181.279 2.045 0 20 AEAD Cc1cncc(CNC[C@@H]2C[C@H]2C)c1 228688965 CYVPKQAOXLPPQV-PWSUYJOCSA-N 190.290 2.136 0 20 AEAD N[C@@H]1CCC[C@H](NCCC2CCC2)C1 229077904 NRGLGQOROAWOAU-NEPJUHHUSA-N 196.338 2.036 0 20 AEAD O=C(Oc1ccccc1F)C1CC1 230461568 KVZLZFPAYKOMPY-UHFFFAOYSA-N 180.178 2.141 0 20 AEAD CCOC[C@H](C)NC[C@H]1CCC[C@@H]1C 230661206 LAFOPAGFVWGXGD-SDDRHHMPSA-N 199.338 2.437 0 20 AEAD CC(C)=CCNCc1ccc(C)cn1 232615228 LPKVZEKMRCEOED-UHFFFAOYSA-N 190.290 2.446 0 20 AEAD CCOC(=O)c1ccc(CC)cc1O 238262968 NWVIEXMVXLHMPO-UHFFFAOYSA-N 194.230 2.131 0 20 AEAD Cc1ccnc2cccc(C=O)c12 299889726 NWHAXLUIDUPQSH-UHFFFAOYSA-N 171.199 2.356 0 20 AEAD C[C@@H]1C[C@H]1C(=O)OC1CCCC1 306218592 FQLLPGSSTCNSIS-VXNVDRBHSA-N 168.236 2.128 0 20 AEAD CCc1ncc(CN2CCCC2)s1 306477634 ALSDHVQWKRPFRE-UHFFFAOYSA-N 196.319 2.301 0 20 AEAD CCN(C)C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 306916195 WXAKBTISMYMEQA-IVZWLZJFSA-N 198.310 2.034 0 20 AEAD C[C@@H](C1CC1)N(C)C[C@H]1CCSC1 308132753 CBHSWYCVFGKAJR-VHSXEESVSA-N 199.363 2.470 0 20 AEAD CCCN(CC)C(=O)C1(CC)CC1 308423295 POXANQGEAMHTIZ-UHFFFAOYSA-N 183.295 2.435 0 20 AEAD CC[C@H](C)N(C)CCN[C@H]1CC[C@H]1C 308543989 OYNFGMOEGHVCFT-WOPDTQHZSA-N 198.354 2.105 0 20 AEAD C[C@H]1CCCCC[C@H]1N[C@H](C)CCO 308599922 AKJYHBVJIFDDNL-QJPTWQEYSA-N 199.338 2.316 0 20 AEAD C[C@H]1CC[C@H](C)N1CC1CCOCC1 334142150 MHXRIZPHGOVLAY-QWRGUYRKSA-N 197.322 2.286 0 20 AEAD CC1(CC(=O)N2CC[C@@](C)(F)C2)CC1 335000076 PAFVGJYUHZPXRF-LLVKDONJSA-N 199.269 2.137 0 20 AEAD C[C@H]1COCCN(CCC(C)(C)C)C1 335038427 ZJWCRRJUTCFQFA-LLVKDONJSA-N 199.338 2.391 0 20 AEAD CCN(C)C(=O)C[C@H]1CCC[C@H]1C 335579710 NMIANIGOYWWTBX-NXEZZACHSA-N 183.295 2.291 0 20 AEAD CCC[C@H](C)[C@H]1CCCN1C(=O)NC 335800711 YJTAWLRSXKWPIM-VHSXEESVSA-N 198.310 2.226 0 20 AEAD CC1(C)CCC[C@H]1C(=O)NCC1CC1 335876500 WCBDRNNJUTWPHX-JTQLQIEISA-N 195.306 2.339 0 20 AEAD O=C(CCC1CCCC1)N1CC(F)C1 336331324 UWJFFHUMJCRETH-UHFFFAOYSA-N 199.269 2.137 0 20 AEAD CC[C@]1(C)C[C@H]1C(=O)NC1CCCC1 336350615 LNJZOSAHNPVESQ-CMPLNLGQSA-N 195.306 2.481 0 20 AEAD C[C@H](O)CCCN1CC[C@H]2CCC[C@@H]21 378719063 DUDIYTJJPJIXBA-TUAOUCFPSA-N 197.322 2.022 0 20 AEAD CC(C)OC(=O)CSCCCF 379313800 JXJPWAJXOOXGKP-UHFFFAOYSA-N 194.271 2.031 0 20 AEAD CCCNC(=O)[C@@H](C)[C@@H](C)CC 379337427 XHOMTLYHVPMPPX-IUCAKERBSA-N 171.284 2.195 0 20 AEAD COCC[C@@H](C)NCCC1(C)CC1 379399524 HDBXSQPDYYBOQW-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD CC[C@H](C)[C@](C)(O)CN[C@@H]1CC[C@@H]1C 379581733 LAAUKSYJMCZMFW-NNYUYHANSA-N 199.338 2.172 0 20 AEAD CCC[C@H](C)c1noc(CNCC)n1 379918624 FQRDRAFELBYKBX-QMMMGPOBSA-N 197.282 2.083 0 20 AEAD CC[C@H](C)CNC1CC(F)(F)C1 381871635 XYLFJPFAODUUKO-ZETCQYMHSA-N 177.238 2.420 0 20 AEAD CC(C)C1(NCc2cccn2C)CC1 382099957 GEOGRCUQDYPWSW-UHFFFAOYSA-N 192.306 2.303 0 20 AEAD CC/C=C\CNC(=O)NCCCC 384792544 VUYMTDBDDIFDJH-ALCCZGGFSA-N 184.283 2.052 0 20 AEAD CN[C@@H](CC(C)(C)C)c1nc(C)no1 386473463 PFMQMBVUUDYCRN-QMMMGPOBSA-N 197.282 2.075 0 20 AEAD CC[C@H]1CC[C@@H]1NCC1(OC)CCC1 389299211 IIAMBDITBIDWRS-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD C(=C\C1CC1)\CNc1ccccn1 393952380 ZNHNOYZQTWDINS-ARJAWSKDSA-N 174.247 2.460 0 20 AEAD CC[C@H](C)CCN[C@H]1CCOC[C@@H]1C 394488254 ZLXXUAZBWGFGGA-SRVKXCTJSA-N 199.338 2.437 0 20 AEAD Cc1ccsc1[C@@H]1CNC[C@@H]1CF 409423379 QICJMENZTBDVEG-DTWKUNHWSA-N 199.294 2.329 0 20 AEAD C[C@@H](NCCCF)[C@@H]1CC12CC2 527869226 DWHHAQTXIDSEIZ-BDAKNGLRSA-N 171.259 2.124 0 20 AEAD CC(C)(F)CCNC(=O)C1CC=CC1 618410110 YXGCTUFIYMKBCN-UHFFFAOYSA-N 199.269 2.207 0 20 AEAD CC[C@@H](C)NC[C@@H]1CCCCN(C)C1 624120327 WFMOLGIXPGLOLQ-NEPJUHHUSA-N 198.354 2.106 0 20 AEAD CO[C@H]1C[C@H](N[C@@H](C)CCC2CC2)C1 624299650 RDZJLGHNMVETML-DLOVCJGASA-N 197.322 2.332 0 20 AEAD CC(=O)CN1CCCC12CCCCC2 639549814 VFVRCWAGWCNCKV-UHFFFAOYSA-N 195.306 2.374 0 20 AEAD C[C@@H]1CCC[C@@H](COn2cccn2)C1 642365277 HPWUEADLSYDFNQ-GHMZBOCLSA-N 194.278 2.138 0 20 AEAD CCCCCNC(=O)[C@]12CCC[C@H]1C2 643298262 FACOXGVHHCLCNB-JQWIXIFHSA-N 195.306 2.483 0 20 AEAD CC1(C)CN(C(=O)[C@]23CCC[C@@H]2C3)C1 643351420 LHHHJQKTXABRPB-SKDRFNHKSA-N 193.290 2.045 0 20 AEAD CC(C)C1(C)CCN(CCCN)CC1 666707382 IDYWMTITFMALQT-UHFFFAOYSA-N 198.354 2.093 0 20 AEAD CC[C@H]1CCC[C@H](CNCCNC)C1 666778336 MELDNMYOHFKQRG-RYUDHWBXSA-N 198.354 2.012 0 20 AEAD CCN(C(=O)[C@@H](C)C1CC1)C1CCC1 673900007 SSBYUUDVYGBCNQ-VIFPVBQESA-N 195.306 2.434 0 20 AEAD CCOC[C@H]1CCN(CCC2CC2)C1 673915422 XAAOWXRUFRFVHL-LBPRGKRZSA-N 197.322 2.145 0 20 AEAD CC[C@@]1(C)CCN(C(=O)C2CCC2)C1 675180712 VJGWUOBIXNROOU-LBPRGKRZSA-N 195.306 2.435 0 20 AEAD CCCCN[C@H](C)Cc1ccccn1 694080871 JNXZLJVZJFLZOF-LLVKDONJSA-N 192.306 2.402 0 20 AEAD COCCC[C@H](C)N[C@H]1C=CCC1 698197856 SJAYJGSQTHQHED-QWRGUYRKSA-N 183.295 2.110 0 20 AEAD C[C@]1(CO)CCCN1CCCC1CC1 723039905 YICNCCDALKSOKB-GFCCVEGCSA-N 197.322 2.023 0 20 AEAD C[C@H]1C[C@@H]1C(=O)NC12CCC(CC1)C2 769456655 UYYCMQVZCMZXKE-ZSWLNHAKSA-N 193.290 2.091 0 20 AEAD CC[C@H](C)C[C@@H](C)N[C@H](C)CCO 779411042 CKOIHPFRDHHGSI-HBNTYKKESA-N 187.327 2.172 0 20 AEAD CC(C)CN(Cc1cnc[nH]1)C1CC1 796457995 STEJKMIRKLMFJX-UHFFFAOYSA-N 193.294 2.030 0 20 AEAD C[C@H]1CN(CCCC2CC2)C[C@@H](C)O1 813334243 AWOGXMYXVPLUEU-PHIMTYICSA-N 197.322 2.286 0 20 AEAD CCCCC(=O)OC[C@H](CC)OC 842055696 OEBKUVMKVVAAND-VIFPVBQESA-N 188.267 2.145 0 20 AEAD CC(C)=CC(=O)OCc1ccns1 847829425 KBRAPVNTKXMQSN-UHFFFAOYSA-N 197.259 2.153 0 20 AEAD O=C(OC1CCC1)N1CC[C@H]2C[C@@H]2C1 851816844 OHWSYNZWTQWLSC-DTWKUNHWSA-N 195.262 2.017 0 20 AEAD CCCOC(=O)N[C@H](C)c1ccc[nH]1 859084018 BOUYTBUIOKDUIM-MRVPVSSYSA-N 196.250 2.212 0 20 AEAD CC/C(C)=C/C(=O)O[C@@H](CC)C(C)=O 873400238 OPQIDTAIYFPGDH-JARNTUPDSA-N 198.262 2.254 0 20 AEAD C1=CCC(CN2C[C@H]3C=C[C@H]2C3)C1 880452291 IPTZGUSAGHNJLA-RYUDHWBXSA-N 175.275 2.213 0 20 AEAD COCCOc1cccc(OC)c1C 902794808 PRGDNKXAZMNRBY-UHFFFAOYSA-N 196.246 2.029 0 20 AEAD CCCCOC(=O)Cc1occc1C 1118410482 QHOKRVIAGQJSNR-UHFFFAOYSA-N 196.246 2.474 0 20 AEAD CC[C@@H]1C[C@@H](NC2(C)CC2)CCO1 1170160485 HXRFRZDGHUUHAS-VHSXEESVSA-N 183.295 2.086 0 20 AEAD CCC(CC)c1nnc(CN(C)C)o1 1322400960 YWBDMKHLABNFGJ-UHFFFAOYSA-N 197.282 2.035 0 20 AEAD CC[C@H](C)c1nnc([C@H]2CCCO2)o1 1322456366 QKAGBFFZRHPGPO-JGVFFNPUSA-N 196.250 2.435 0 20 AEAD C[C@@H]1CCC[C@H]1NC1(C)CC1 1323504192 BHFADKUROVKGTA-RKDXNWHRSA-N 153.269 2.317 0 20 AEAD CCOC(=O)C1CCC=CCC1 35874393 HMFWSXJIAGEOAO-UHFFFAOYSA-N 168.236 2.296 0 20 AEAD CCC[C@@H](C)c1nn(C)c(N)c1C 36937976 YXAGTUQJXKSRPP-SSDOTTSWSA-N 181.283 2.214 0 20 AEAD CC[C@H](C)NCCN(CC)C(C)C 37479934 WGLACTGSEFQIPD-NSHDSACASA-N 186.343 2.105 0 20 AEAD CCCN(CC)CCNC(C)(C)C 42409510 LUAIKOUUIGUURC-UHFFFAOYSA-N 186.343 2.106 0 20 AEAD CCCC[C@@H](C)NCC1(N)CCCC1 50889973 VTJXNEJFQHXILC-LLVKDONJSA-N 198.354 2.426 0 20 AEAD CC[C@@H](O)CN[C@H](C)C1CCCCC1 52336845 VZBFNHCPJKLTAK-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD CC1(C)C[C@@H]1NC(=O)c1cccs1 70227587 QTAAQMYAZSLAIA-QMMMGPOBSA-N 195.287 2.276 0 20 AEAD Cc1cccc([C@@H]2CNC[C@H]2C)c1 77265903 UQRYIVMYDYQAOU-ZYHUDNBSSA-N 175.275 2.318 0 20 AEAD CCc1ccc2c(c1)[C@@H](N)[C@@H](CC)O2 82765369 RFWZJTXSBYXJPS-ZYHUDNBSSA-N 191.274 2.420 0 20 AEAD CC1(C)CCN(c2cccc(F)n2)C1 85486008 NLSIPQMYLSPVTD-UHFFFAOYSA-N 194.253 2.457 0 20 AEAD CC(C)(O)CCNC[C@@H]1CC=CCC1 86235777 OQCXKSRXGCMGSO-LLVKDONJSA-N 197.322 2.093 0 20 AEAD CC1(C)C(CN[C@H]2CCOC2)C1(C)C 86238179 MZOCWPYKWJTWPX-VIFPVBQESA-N 197.322 2.047 0 20 AEAD C[C@H]1C[C@H](NCCF)CC[C@H]1C 87775252 GBKRIBRIWSVPIA-KXUCPTDWSA-N 173.275 2.370 0 20 AEAD CC(C)CNc1cccc(CCO)c1 107803215 IJKBYLVTTAECKU-UHFFFAOYSA-N 193.290 2.289 0 20 AEAD COC1CCN(C2CCCC2)CC1 117226541 VVSZZFSHYVNCSZ-UHFFFAOYSA-N 183.295 2.040 0 20 AEAD COC(=O)c1occc1C(C)C 118589618 DPDUOIXGYZJARN-UHFFFAOYSA-N 168.192 2.190 0 20 AEAD CCC(CC)CNC(=O)C(F)(F)F 122603652 OWLZKCMEHMKFBA-UHFFFAOYSA-N 197.200 2.101 0 20 AEAD C[C@H]1CCC[C@H](C)C1N[C@H](C)CCO 127232731 PCKZGBOUXYFAJV-GARJFASQSA-N 199.338 2.172 0 20 AEAD CCCCC[C@H](C)NCC1(O)CCC1 130774590 RTYGDXYXQPYGII-NSHDSACASA-N 199.338 2.460 0 20 AEAD Fc1ccc(N[C@H]2CCSC2)cn1 134880152 ANFBLQQGAGXNJV-QMMMGPOBSA-N 198.266 2.138 0 20 AEAD COCC(C)(C)NC[C@@H]1CC=CCC1 135079083 ZOFYFMCDWOWAPJ-LLVKDONJSA-N 197.322 2.357 0 20 AEAD CC(C)C(=O)N1CC[C@@H](C)[C@@H](C)C1 135083349 MQESNYCELJPDFG-ZJUUUORDSA-N 183.295 2.147 0 20 AEAD C=CCOC(=O)/C=C(\C)CC 147988518 XGIKYIPTAHGFHL-BQYQJAHWSA-N 154.209 2.072 0 20 AEAD COC(=O)[C@@H](C)SCCC(C)C 221175279 SYRFWMKXKPRRTQ-MRVPVSSYSA-N 190.308 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193.290 2.486 0 20 AEAD CC1CCC(N[C@H]2CCO[C@H]2C)CC1 133949469 NUHUHTCNGSNBQI-ADPBJBESSA-N 197.322 2.332 0 20 AEAD C[C@H]1CCC[C@H]1NC(=O)C1CCCC1 146046746 JQAPICLMMOJAIO-GXSJLCMTSA-N 195.306 2.481 0 20 AEAD O=C(O)c1cccc(C2CC2)c1F 150189819 NXKJTLJIIOUGHN-UHFFFAOYSA-N 180.178 2.401 0 20 AEAD CC[C@@H](C)C(=O)Nc1[nH]nc(C)c1C 157081416 WXNAOYLBSLSBBL-ZCFIWIBFSA-N 195.266 2.011 0 20 AEAD COC(=O)c1ncccc1C(C)(C)C 220572837 PHWLQFDUNVMAAJ-UHFFFAOYSA-N 193.246 2.166 0 20 AEAD C1=C[C@@H](NC[C@@H]2CCSC2)CCC1 226384541 IRRXJADUVQLDMO-WDEREUQCSA-N 197.347 2.438 0 20 AEAD Cc1cncc(CS[C@H](C)CO)c1 227301167 NKAWTLYZOVVHTE-SECBINFHSA-N 197.303 2.004 0 20 AEAD C[C@H](O)CCCNC[C@H]1CC=CCC1 227957844 BSPOQKGWLCCACT-RYUDHWBXSA-N 197.322 2.093 0 20 AEAD CCCCNC[C@H]1CC1(C)C 232984283 MOYLCZIRTIMTFR-SECBINFHSA-N 155.285 2.422 0 20 AEAD CC[C@H](O)CNCC1(CC)CCCC1 234061160 ATBGCAUGFHPMPM-NSHDSACASA-N 199.338 2.317 0 20 AEAD CC(C)CN[C@H]1C[C@H](C)O[C@H](C)C1 238850659 CJNJDWVJWVILAF-JGPRNRPPSA-N 185.311 2.188 0 20 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AEAD CC/C=C/CCN(CCC)CC(=O)O 652465175 JTFSDVKFROGAPM-AATRIKPKSA-N 199.294 2.139 0 20 AEAD CO[C@@H](C)CNC[C@@H]1CCCC[C@H]1C 657620525 LFPXSRGWUREEAB-WOPDTQHZSA-N 199.338 2.437 0 20 AEAD C[C@@H]1CN([C@@H]2CCO[C@H](C)C2)C[C@@H]1C 659969249 FFASELCFMUEITL-WRWGMCAJSA-N 197.322 2.142 0 20 AEAD CCC(CC)NCc1ccn(CC)n1 666195201 OIHORCCMIBQORV-UHFFFAOYSA-N 195.310 2.181 0 20 AEAD Cc1ccoc1CN1CC[C@@H]2C[C@H]2C1 668675755 HSKUQORMDJMULM-MNOVXSKESA-N 191.274 2.430 0 20 AEAD CCCN(C)CCc1c(C)noc1C 677375680 KTGCIGXUMBOKDE-UHFFFAOYSA-N 196.294 2.176 0 20 AEAD C[C@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C)C1 678950067 OQFXJNDHSPXNLY-OUAUKWLOSA-N 195.306 2.434 0 20 AEAD CCN(Cc1cccnc1)C1CC1 679578095 FBYOQOATKYPZOQ-UHFFFAOYSA-N 176.263 2.066 0 20 AEAD CC[C@@H]1CCCN1CC[C@H]1CCCO1 682523193 SKVNFKKLBCYBLM-VXGBXAGGSA-N 197.322 2.430 0 20 AEAD CC(C)(C)OCCOc1ccncc1 682804654 XQFGZLRIGYWUFN-UHFFFAOYSA-N 195.262 2.276 0 20 AEAD CC(C)=CCCNC(=O)c1ccc[nH]1 682951514 YZHZFSAXVDFDOC-UHFFFAOYSA-N 192.262 2.101 0 20 AEAD C[C@H](CSC[C@@H]1C[C@@H]1C)C(=O)O 722530249 BCXWTZLVFMDCLO-RNJXMRFFSA-N 188.292 2.096 0 20 AEAD CCN(c1ccccc1)[C@@H]1CC[C@H]1O 725237031 HKBAKJGXNWRPCK-VXGBXAGGSA-N 191.274 2.036 0 20 AEAD CCc1ccccc1CNC(=O)O 737272964 RYJQZVCDYGPQRH-UHFFFAOYSA-N 179.219 2.017 0 20 AEAD C[C@H]1C[C@H]1C(=O)NOC1CCCCC1 777966401 FERLXALBJYGRRZ-WCBMZHEXSA-N 197.278 2.023 0 20 AEAD C/C=C/COC(=O)CSC1CC1 835094467 KJWSKDVRXRGPDB-NSCUHMNNSA-N 186.276 2.001 0 20 AEAD CC1=NN(C(C)C)C(=O)C2(CCC2)C1 871948173 TXYNLBJHYNBDEU-UHFFFAOYSA-N 194.278 2.173 0 20 AEAD C/C=C(\CC)C(=O)N1CC[C@@H](CF)C1 881672882 GBIWGGVXGRAACK-QKWZMYFISA-N 199.269 2.161 0 20 AEAD FC1(F)CC(CSC2COC2)C1 901633853 MAAZRLAAUNXEFZ-UHFFFAOYSA-N 194.246 2.164 0 20 AEAD CC[C@@H]1C[C@H]1CN1CCO[C@H](C)[C@H]1C 929847686 NGBSXOVAWXLZPT-KKOKHZNYSA-N 197.322 2.142 0 20 AEAD C=CC(=O)N1CCC[C@@](C)(CC)C1 1120461369 ZNVPYKKETWRYQQ-LLVKDONJSA-N 181.279 2.211 0 20 AEAD CN(Cc1ncccc1F)C(C)(C)C 1207031909 FBKYYSNODJOACN-UHFFFAOYSA-N 196.269 2.451 0 20 AEAD CC[C@@H](F)C(=O)Nc1cccc(C)n1 1262602752 KKSBQWGFQDWBHC-MRVPVSSYSA-N 196.225 2.077 0 20 AEAD C/C=C/C=C\C(=O)NC/C=C\C1CC1 1324369599 FAEWENKWGGTKAH-HMUXPNFISA-N 191.274 2.201 0 20 AEAD Cc1nnc(C2(F)CCCC2)o1 1330066496 NBXQRDHJFRJVGP-UHFFFAOYSA-N 170.187 2.117 0 20 AEAD CCC[C@@H](C)NCC(F)(F)F 19437548 HNFHTRMGEIYUKM-ZCFIWIBFSA-N 169.190 2.327 0 20 AEAD N[C@@H](CF)c1cc2ccccc2o1 20285869 TTWWTADWFFSISA-QMMMGPOBSA-N 179.194 2.402 0 20 AEAD C/C=C(/C)COC(=O)/C(C)=C\C 31970638 QJXVZKLQKPUDPW-VVRUXRSYSA-N 168.236 2.462 0 20 AEAD CC(C)=CCOC(=O)C1CCC1 32177346 WAELPPWICIWJKF-UHFFFAOYSA-N 168.236 2.296 0 20 AEAD Cc1cc([C@@H]2CCCN2CCF)on1 32299092 KRVOXPVHIKMBDQ-VIFPVBQESA-N 198.241 2.089 0 20 AEAD Cc1cc(C)nc(N[C@H](C)C2CC2)n1 35207906 YOZJKGSHVFWELL-SECBINFHSA-N 191.278 2.304 0 20 AEAD CC(=O)CN(C)C1CCCCCC1 37340214 MDUFTDDSGKZENW-UHFFFAOYSA-N 183.295 2.230 0 20 AEAD CCCC[C@H](C)NCc1c[nH]nc1C 38011461 QBBODXLMKJMHPR-VIFPVBQESA-N 195.310 2.386 0 20 AEAD CC[C@H](C)CNC[C@@H]1CCCOC1 38044489 GBJXHGXIFVEIBD-QWRGUYRKSA-N 185.311 2.049 0 20 AEAD CCCCC[C@@H](C)NCC(C)(C)N 42574056 SYDBNNUMNQKAGJ-SNVBAGLBSA-N 186.343 2.282 0 20 AEAD CC[C@@H](NC[C@@H](C)COC)C(C)C 45657626 RSJJHCZFCIANMI-GHMZBOCLSA-N 187.327 2.293 0 20 AEAD CC(C)NC[C@H](C)N1CCCC[C@H]1C 52378542 RTDRDSXTXBIVBZ-NEPJUHHUSA-N 198.354 2.247 0 20 AEAD CCCCNCCN(CC)CCC 53376557 AVADNXUNLIJCGG-UHFFFAOYSA-N 186.343 2.108 0 20 AEAD C1CCC(OCCNCC2CC2)CC1 53543481 WCUVWSVGKYCLKS-UHFFFAOYSA-N 197.322 2.335 0 20 AEAD COCCCC1(C(=O)O)CCCC1 54632561 GQVDNGRXOCQMRC-UHFFFAOYSA-N 186.251 2.058 0 20 AEAD CC[C@H](C)[C@H](O)CNC1CCCCC1 55031710 UDJDTVBFBCSBRP-CMPLNLGQSA-N 199.338 2.316 0 20 AEAD Cc1ccc(C)c(C[C@@H]2CCNC2)c1 57936731 MIVJEWYIUMWFKH-LBPRGKRZSA-N 189.302 2.455 0 20 AEAD Cc1ccnc(NCC2CCCC2)n1 61858950 GZSDTHWZNNSXNT-UHFFFAOYSA-N 191.278 2.387 0 20 AEAD COC(=O)N1CC[C@H]2CCCC[C@H]2C1 79237115 CYVZAYMKAMYQFB-ZJUUUORDSA-N 197.278 2.265 0 20 AEAD O=C(O)c1conc1C1CCCCC1 82386799 SKKLYAFOVSKYJQ-UHFFFAOYSA-N 195.218 2.421 0 20 AEAD C[C@H]1C[C@@H](N[C@@H]2CCOC2)CC[C@H]1C 82845908 JUGOUHRGCPLCOK-NOOOWODRSA-N 197.322 2.190 0 20 AEAD CCC[C@H](C)N[C@H]1CCCOCC1 83424286 GCLJGRMHWVFRED-QWRGUYRKSA-N 185.311 2.334 0 20 AEAD c1ccc(NC[C@@H]2CCCS2)nc1 87475454 HBEDAZZUONRSEY-VIFPVBQESA-N 194.303 2.389 0 20 AEAD CCCCC[C@@H](C)NCC1(N)CCC1 88051941 VFSOQWKCKPRNFL-LLVKDONJSA-N 198.354 2.426 0 20 AEAD NCCNC1CCC2(CCCC2)CC1 129321031 ZXTLJVPPMCHYIH-UHFFFAOYSA-N 196.338 2.038 0 20 AEAD CO[C@@H](C)[C@H](C)NCCC(C)(C)C 132724262 ULVSOYOBULEIIE-UWVGGRQHSA-N 187.327 2.436 0 20 AEAD F[C@]1(c2ccccc2Cl)CCNC1 158177352 PWDPUMPNNZTKFK-SNVBAGLBSA-N 199.656 2.498 0 20 AEAD CCC(CC)CN[C@]1(C)CCOC1 162714300 XIMHCKULUYRFHF-LLVKDONJSA-N 185.311 2.191 0 20 AEAD Cc1nc(Cn2ccnc2)c(C)s1 165128236 ZWJYXVUZKGLWGO-UHFFFAOYSA-N 193.275 2.005 0 20 AEAD Cc1coc(C)c1C(=O)NC(C)C 169998850 DMSLHOLTQXPPEA-UHFFFAOYSA-N 181.235 2.035 0 20 AEAD C1CCN(CCC2CC2)CC1 204599924 OTIFUAWJSMAGDW-UHFFFAOYSA-N 153.269 2.272 0 20 AEAD C[C@@H](O)CCCN[C@@H]1CCCC1(C)C 228030656 ATCOGUPWTSFNAH-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CC(C)[C@H](C)S[C@H](C)C(=O)O 232723392 BNXGJEDDQJXHRS-NKWVEPMBSA-N 176.281 2.237 0 20 AEAD C[C@@H]1CC[C@@H](NCCCCC(=O)O)C1 235275237 NVQGEUJVENNZSU-NXEZZACHSA-N 199.294 2.020 0 20 AEAD C1C[C@H](c2nnc(C3CC3)o2)CS1 306272192 WXRYULULZMBBNO-ZETCQYMHSA-N 196.275 2.168 0 20 AEAD CC1(C)CC(N[C@H]2CC[C@H](O)CC2)C1 306308476 KOVSYZRJYDMHHF-HOMQSWHASA-N 197.322 2.068 0 20 AEAD C[C@@H]1CC[C@H](N(C)C(=O)C2CC2)C1 306603104 MFLJUUNJFNZZPA-SCZZXKLOSA-N 181.279 2.043 0 20 AEAD C[C@@H]1CC(N[C@@H]2CC[C@H]2C)C[C@@H](C)O1 306798394 CFXYSGVBHOQRSW-DNRKLUKYSA-N 197.322 2.331 0 20 AEAD CCC(CC)SC[C@@H](C)O 307016618 OYUBIHVPCWKNSW-SSDOTTSWSA-N 162.298 2.289 0 20 AEAD C[C@@H]1C[C@@H](NC2(C3CC3)CC2)CCO1 307408385 MBUJTSCWGJIDQB-KOLCDFICSA-N 195.306 2.086 0 20 AEAD CCC[C@@H](C)C(=O)Nc1ccon1 307578936 OODNCDCVWBUJDK-SSDOTTSWSA-N 182.223 2.049 0 20 AEAD Cc1cncc(CN[C@H]2CC[C@@H]2C)c1 307596979 MZPUIDWNPANALX-JQWIXIFHSA-N 190.290 2.278 0 20 AEAD CSC1(CN(C)C(C)C)CC1 307689138 MYSPIAYCGRWHAY-UHFFFAOYSA-N 173.325 2.222 0 20 AEAD CC[C@H](CSC)N(C)CCF 307885488 UYBKGZKSTMENKJ-MRVPVSSYSA-N 179.304 2.029 0 20 AEAD CCN(C[C@H]1CCSC1)C(C)C 308046881 PVCVLBFEEIGWAK-SNVBAGLBSA-N 187.352 2.470 0 20 AEAD CCCN1CCCC[C@H](COC)C1 308247912 YJZAZDRGGTZUGB-NSHDSACASA-N 185.311 2.145 0 20 AEAD CC(C)OC1CC(NC2CCC2)C1 308270212 RSHMSYBSPSRRPY-UHFFFAOYSA-N 183.295 2.085 0 20 AEAD CC(C)=CCCNCC[C@@H]1CCOC1 308643202 FWYZMRVLRNNTHU-GFCCVEGCSA-N 197.322 2.359 0 20 AEAD C[C@@H]1CC[C@@H](CNC2(C3CC3)CC2)O1 308657072 OPJWENZQPLDEFI-KOLCDFICSA-N 195.306 2.086 0 20 AEAD CC1(C)C[C@@H]1NC(=O)C1CCCCC1 334193808 KXMXDLQVSGNVDI-JTQLQIEISA-N 195.306 2.481 0 20 AEAD C[C@H]1C[C@@H](C)N(c2ccc(F)cn2)C1 334274469 BKUHLUVVQVWKHU-DTWKUNHWSA-N 194.253 2.455 0 20 AEAD C[C@@H](C(=O)N(C)C1CC1)C1CCC1 334736186 JYFVCVOAWSNXMZ-MRVPVSSYSA-N 181.279 2.043 0 20 AEAD CCC1(C)CN(C(=O)c2ccoc2)C1 334753262 VRHYARWACYXDAD-UHFFFAOYSA-N 193.246 2.152 0 20 AEAD CCC1(NC(=O)[C@@]23CCC[C@H]2C3)CC1 335497208 ZFUYMEGXZPFXOS-JOYOIKCWSA-N 193.290 2.235 0 20 AEAD CC[C@H]1CCCCN1C[C@@H]1CCCO1 336282294 QWAHCXWMMFAKMZ-RYUDHWBXSA-N 197.322 2.430 0 20 AEAD FC(F)(F)CNC1(C2CC2)CC1 379335035 NPDJXDRIANGUEC-UHFFFAOYSA-N 179.185 2.081 0 20 AEAD CCCCN(C)c1cncc(C)n1 379411566 ILRYDECIGYYUII-UHFFFAOYSA-N 179.267 2.021 0 20 AEAD CC1(C)CC[C@H]1NCCOCC1CC1 379548676 ZDNKVHSUGIROAA-LLVKDONJSA-N 197.322 2.191 0 20 AEAD CC(C)CCNC1(CN(C)C)CCC1 379575923 MQJXGTMNTABGDT-UHFFFAOYSA-N 198.354 2.106 0 20 AEAD CC(C)=CCCN[C@H](C)[C@@H]1CCOC1 379593478 BTKKFAROOZMETR-VXGBXAGGSA-N 197.322 2.357 0 20 AEAD CC/C=C/CN[C@H](COC)C(C)C 385160375 LEMQDADQTSTIKL-XUIVZRPNSA-N 185.311 2.213 0 20 AEAD CCOC1CC(NCC2=CCCC2)C1 401117995 MDGCXEUSDIVVLU-UHFFFAOYSA-N 195.306 2.254 0 20 AEAD CCCCN1CCC[C@H](C)[C@@H]1CCN 404293272 MHKNHTCCLBZIIN-RYUDHWBXSA-N 198.354 2.236 0 20 AEAD CC[C@@H](C)[C@H](C)N(CCCO)C1CC1 404314180 SKTAOTPNDTWNHB-MNOVXSKESA-N 199.338 2.268 0 20 AEAD C[C@@H](N[C@@H]1C=CCC1)C1CC1 575500325 GCTDMBZAFMTAQW-PSASIEDQSA-N 151.253 2.093 0 20 AEAD CCC(CC)C(=O)N[C@]12CCC[C@@H]1C2 617201813 IBJRHFRGMHKMIP-PWSUYJOCSA-N 195.306 2.481 0 20 AEAD CCN(C[C@H]1CCOC1)[C@H](C)C(C)C 620807855 NZYQUJDRNIKSJK-VXGBXAGGSA-N 199.338 2.389 0 20 AEAD CC[C@@H](C)CN1CCC[C@@H](C)[C@H]1CO 640056916 LKZGGIOHFMRCQO-IJLUTSLNSA-N 199.338 2.125 0 20 AEAD CC[C@H](CN1CC[C@H](C2CC2)C1)OC 642699300 SWHOSLJBLQRTGR-NWDGAFQWSA-N 197.322 2.143 0 20 AEAD C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)[C@H](C)C1 644810243 XJQLOWRLSRQLGJ-GWOFURMSSA-N 195.306 2.289 0 20 AEAD CC[C@H](O)CN1CC(C)(C)[C@@H]1C(C)C 644855222 RXARBFBJVXFANE-QWRGUYRKSA-N 199.338 2.124 0 20 AEAD CCC[C@@H](O)CN1[C@@H](C)CCC1(C)C 650288390 RRLQQZYVUFIRNW-WDEREUQCSA-N 199.338 2.410 0 20 AEAD CCCCN1CCCC[C@H]1COC 650301015 CTLXBVLCDZTLSY-NSHDSACASA-N 185.311 2.287 0 20 AEAD CCCCC(=O)NC1(C)CC=CC1 654006598 XHQWYJMKOUEGIH-UHFFFAOYSA-N 181.279 2.402 0 20 AEAD CC[C@@H]1OCC[C@H]1N[C@@H](C)C1CCC1 657241745 REHLZIHFJFZRCN-WCQGTBRESA-N 197.322 2.332 0 20 AEAD CCN(CCOC)Cc1ccoc1C 666293654 MFHTYKLXWZYNAV-UHFFFAOYSA-N 197.278 2.056 0 20 AEAD C[C@@H]1CN(C(=O)CC2CC2)[C@@H](C)[C@@H]1C 667912689 UEJLBVHPRHNCNY-BBBLOLIVSA-N 195.306 2.289 0 20 AEAD Cc1ccc(CN2CC[C@H]3C[C@@H]3C2)o1 668675482 CVOHHARMYRKBID-WDEREUQCSA-N 191.274 2.430 0 20 AEAD CC(C)OCCN1CCCC[C@@H]1C 680853368 JOVNSKDNQWCGLC-NSHDSACASA-N 185.311 2.286 0 20 AEAD CCCONC(=O)[C@H]1CCC[C@@H](C)C1 686770048 AYOOXROMQQCILY-ZJUUUORDSA-N 199.294 2.271 0 20 AEAD C[C@@H]1C[C@@H]1CNC[C@@H]1C=CCC1 711789991 VJEREGQGNFMHOJ-GMTAPVOTSA-N 165.280 2.198 0 20 AEAD O=C(O)N[C@@H]1C[C@H]1C1CCCCC1 739927658 BBWUVQJFBAVVNN-DTWKUNHWSA-N 183.251 2.223 0 20 AEAD CC(=O)COC(=O)/C=C(\C)C(C)(C)C 745598130 NZEOHAWPAXAKOW-SOFGYWHQSA-N 198.262 2.111 0 20 AEAD C/C=C/C=C/C(=O)N(OC)[C@H](C)CC 770006440 SNQMXMLJFULBOM-FNPOXFONSA-N 197.278 2.307 0 20 AEAD CC[C@H]1COC[C@H]1NCC(C)(C)CC 829421181 SPMFCGFVKYELLC-WDEREUQCSA-N 199.338 2.437 0 20 AEAD O=C(CCC1CCC1)N[C@@H]1C=CCC1 855427793 JPYDLBXAHDUFJW-LLVKDONJSA-N 193.290 2.402 0 20 AEAD O=C(CCCF)OCCCC1CC1 869556733 RYLUUEIRHOGQHP-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD C/C=C(\CC)C(=O)Nc1conc1C 880446745 QASANDZKGWKXMW-XBXARRHUSA-N 194.234 2.278 0 20 AEAD CCN(C)C(=O)/C(F)=C(/C)C1CC1 900143421 HEHKZMWTJAFIHN-VQHVLOKHSA-N 185.242 2.118 0 20 AEAD Cc1ccc(CSC2COC2)cn1 901633412 IUGALYOBASLMCH-UHFFFAOYSA-N 195.287 2.022 0 20 AEAD C[C@@H](CCO)NC1CC2(CCCC2)C1 925103323 ZWUGXCQJGSUNNX-JTQLQIEISA-N 197.322 2.070 0 20 AEAD CCC[C@H](CC)C(=O)NC1(C)CC1 1329793756 WFXWDYUUUZRJLM-VIFPVBQESA-N 183.295 2.481 0 20 AEAD CC[C@@H](F)C(=O)O[C@H](C)C1CCC1 1526449213 GAOSUOPPRZUAAF-VXNVDRBHSA-N 188.242 2.466 0 20 AEAD C[C@@H]1CN([C@@H](C)[C@H](C)O)CC(C)(C)C1 1657913167 VFMSAONVOBWEFZ-DCAQKATOSA-N 199.338 2.124 0 20 AEAD CC/C=C\CN(CC(=O)O)[C@@H](C)CC 1776744647 IBLQHXUIBUZTAX-GFVADAIESA-N 199.294 2.138 0 20 AEAD CCCN(CCC)C1CC1 23803756 UBLWTRIZPHFAKK-UHFFFAOYSA-N 141.258 2.271 0 20 AEAD Cc1ccsc1-c1[nH]nc(N)c1C 34975913 ZSAQJKFVOIFKSJ-UHFFFAOYSA-N 193.275 2.337 0 20 AEAD C[C@H]1CCC[C@@H](Nc2cnn(C)c2)C1 35737867 BLGZNVKECGFMBT-VHSXEESVSA-N 193.294 2.411 0 20 AEAD CC(C)NC1CCN(C(C)(C)C)CC1 37786229 ZUTAVMLSTSDSRN-UHFFFAOYSA-N 198.354 2.247 0 20 AEAD COc1ccc(C=O)c2occc12 39194276 XMUBOIWJKZIQSR-UHFFFAOYSA-N 176.171 2.254 0 20 AEAD CCCCNc1ccc(F)cn1 41045308 WTZWFEANIJWIAV-UHFFFAOYSA-N 168.215 2.433 0 20 AEAD C[C@@H]1CCC[C@H](NCc2ncc[nH]2)C1 49714826 XGURXCPHNDVBIO-ZJUUUORDSA-N 193.294 2.078 0 20 AEAD CC[C@H](NC1CCC(N)CC1)C(C)C 51694207 HUFPBDKOVRPCQL-MCIGGMRASA-N 198.354 2.281 0 20 AEAD Cc1ccc(CN[C@H]2CCSC2)o1 53035744 FQIYMAPGPSOCCX-VIFPVBQESA-N 197.303 2.183 0 20 AEAD CCCN1CCNCc2ccccc21 62567531 QOVYXBRZSISYAR-UHFFFAOYSA-N 190.290 2.006 0 20 AEAD CCNC(=O)CCCc1cccs1 70186738 MXVCRWWVDUQEFM-UHFFFAOYSA-N 197.303 2.207 0 20 AEAD CC[C@@H](COC)N[C@H](C)c1ccco1 70623855 MAPWNPDHRPPXTO-ZJUUUORDSA-N 197.278 2.355 0 20 AEAD CCCCCn1cccc(C)c1=O 71516855 MUMKDHFYZYOVNH-UHFFFAOYSA-N 179.263 2.347 0 20 AEAD CC(=O)c1cnc(C(F)(F)F)s1 77587716 QWWFAVXLIBJNST-UHFFFAOYSA-N 195.165 2.365 0 20 AEAD CC[C@@H](O)CN1CCCC(C)(C)CC1 83680913 ZROSDMZGMPJHEA-LLVKDONJSA-N 199.338 2.269 0 20 AEAD Cc1cscc1-c1cc(N)n(C)n1 86815722 OQSYOYQDBOPLGL-UHFFFAOYSA-N 193.275 2.039 0 20 AEAD C1CC[C@@H](CNCC2CC2)SC1 87679882 MEQWCWIGHZQIPP-JTQLQIEISA-N 185.336 2.272 0 20 AEAD Cc1ccccc1NCC[C@H](C)O 125103722 PVXIEEIHLXTNTK-JTQLQIEISA-N 179.263 2.178 0 20 AEAD Cc1cccc(N)c1OC(F)F 128634473 KGXCPRVVLBYLLX-UHFFFAOYSA-N 173.162 2.179 0 20 AEAD CC(C)c1nc(C2CCOCC2)no1 147387612 YZWVMBKPQZOIGQ-UHFFFAOYSA-N 196.250 2.087 0 20 AEAD CC[C@H](C)CN[C@H](C)[C@@H]1CCOC1 161512494 LAUQIUWXGPMZQU-HBNTYKKESA-N 185.311 2.047 0 20 AEAD C[C@@H](NCCC1CCC1)[C@@H]1CCOC1 161867146 NLUCYIOYZVGMOW-ZYHUDNBSSA-N 197.322 2.191 0 20 AEAD OCCc1ccc(C2CCC2)cc1 164149592 ALWQGXXSXFPGEK-UHFFFAOYSA-N 176.259 2.489 0 20 AEAD C[C@H](O)C[C@@H](C)N[C@@H](C)C1CCCC1 164584138 FODQZRQEDRTDMD-VWYCJHECSA-N 199.338 2.314 0 20 AEAD O[C@@H]1CCCCC[C@@H]1c1ccc[nH]1 165773567 LTVMUILUSSBJFH-MWLCHTKSSA-N 179.263 2.423 0 20 AEAD C[C@H]1CCC[C@@H](CN2CCOCC2)C1 166054157 VDNPWYMXWWWLGG-NWDGAFQWSA-N 197.322 2.145 0 20 AEAD CC[C@@H](C)NC[C@H](O)CC(C)(C)C 167848731 NPYPFHHQMWSLJD-NXEZZACHSA-N 187.327 2.172 0 20 AEAD CSCCOC(C)(C)C 201276605 PZUHXGBJDWKZKP-UHFFFAOYSA-N 148.271 2.165 0 20 AEAD CC[C@@H](C)CN[C@]1(C)CCCOC1 221368827 XHXQQWWGKLSBMK-GHMZBOCLSA-N 185.311 2.191 0 20 AEAD CC[C@H](N[C@@H]1CCC[C@@H](C)C1)C(=O)O 227075662 BPIPXNVZVVSBKX-BBBLOLIVSA-N 199.294 2.018 0 20 AEAD CC(C)CCNCCC[C@H](C)CO 232555493 YHELLTQDCUDXCM-NSHDSACASA-N 187.327 2.031 0 20 AEAD Cc1ccc(CNC/C=C/Cl)cn1 235780004 XSRYAOHZLMTYNN-GORDUTHDSA-N 196.681 2.232 0 20 AEAD Cc1cccnc1CNC/C=C/Cl 235793302 FAMIGEZHBWNTES-HWKANZROSA-N 196.681 2.232 0 20 AEAD CC[C@@H]1CCC[C@@H]1N[C@H](C)COC 252708974 BPVGNVKDIYAFKS-MXWKQRLJSA-N 185.311 2.190 0 20 AEAD C[C@H]1C[C@@H](C)C[C@H](NC(=O)N(C)C)C1 252890850 INUVICATYDGMCN-MYJAWHEDSA-N 198.310 2.082 0 20 AEAD CC[S@@](=O)Cc1ccccc1F 306555083 FTWLAZOYAMOJHM-GFCCVEGCSA-N 186.251 2.094 0 20 AEAD CC1(C)CC(NCC2CCOCC2)C1 306951576 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C[C@@H](c1cccnc1)N1CC[C@H](F)C1 334702373 QUYSNTSTMRJHRC-ONGXEEELSA-N 194.253 2.186 0 20 AEAD CCC(=O)N1CC[C@H](C2CCCC2)C1 335592687 RHBUHMPHBABPQY-NSHDSACASA-N 195.306 2.435 0 20 AEAD CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 336006200 ORQRCJNQPQWAIZ-GHMZBOCLSA-N 195.306 2.040 0 20 AEAD CC1CCN(C[C@@H]2CCCCO2)CC1 336554881 OCRBKBOYKYUJKH-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CCSCCSc1ncc[nH]1 379225216 LVTYUJGCEQCVQI-UHFFFAOYSA-N 188.321 2.255 0 20 AEAD C/C=C/C=C/C(=O)OC/C=C\Cl 379312291 YFZLFNZBFAYVOA-VIHWOABNSA-N 186.638 2.414 0 20 AEAD COC1(CCN[C@@H]2CC[C@@H]2C)CCC1 380123249 NCKLUUKRUDWGBN-WDEREUQCSA-N 197.322 2.334 0 20 AEAD C/C=C/COC(=O)[C@H](C)C1CC1 388496146 JYQJCBFYMBXVFP-MPJRPATESA-N 168.236 2.152 0 20 AEAD CC(C)OC[C@@H](C)NC1CCCC1 388844019 ZAIBHJZWTXKNMZ-SNVBAGLBSA-N 185.311 2.332 0 20 AEAD CCNC(=O)N(C)CCC(C)(C)C 399843322 OPWFIWOKWRMUTR-UHFFFAOYSA-N 186.299 2.084 0 20 AEAD C[C@@H]1C[C@H](NCC2=CCCCC2)CO1 401901415 QTOLXCPSVDYQIK-PWSUYJOCSA-N 195.306 2.254 0 20 AEAD C[C@@H]1CC[C@@]2(c3ccccn3)O[C@@H]2C1 536961014 WRGQEJAHMILDNP-JLLWLGSASA-N 189.258 2.496 0 20 AEAD CCCC[C@H](CC)C(=O)N1CCOC1 615753492 YGUSGADJSOYJBK-JTQLQIEISA-N 199.294 2.019 0 20 AEAD CC[C@@H](C)N1N=C(C)C[C@@H](C)C1=O 634623922 SLMILXUYNFFVPZ-VXNVDRBHSA-N 182.267 2.029 0 20 AEAD C[C@@H]1CCCN1Cc1ccns1 638070190 WLAXCYJTZLHGQO-MRVPVSSYSA-N 182.292 2.127 0 20 AEAD CC(C)CNC(=O)N(C)[C@@H](C)C1CC1 643219311 LGKJNDVBQJADHG-VIFPVBQESA-N 198.310 2.082 0 20 AEAD CC[C@@H](N)CN[C@H]1CCCC(C)(C)C1 643540628 ZAHZQBOBLHRFDW-MNOVXSKESA-N 198.354 2.282 0 20 AEAD O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)C1CCC1 648605643 PTSMYIVETIZURX-OUAUKWLOSA-N 193.290 2.091 0 20 AEAD CCCCC(=O)NC[C@@H]1C[C@H]1CC 650963723 BGAWBNDHSAJSAT-ZJUUUORDSA-N 183.295 2.339 0 20 AEAD CCC[C@@H](C)[C@H]1CCCN1C[C@H](C)O 656458922 FDVCTNDVRBWPLL-GRYCIOLGSA-N 199.338 2.268 0 20 AEAD c1nc(CN[C@]23CCC[C@H]2C3)cs1 657550599 JKYGDWYJYZMEFS-WPRPVWTQSA-N 194.303 2.175 0 20 AEAD CC[C@@]1(C)CCN([C@@H](C)COC)C1 675186605 PEUWGVYDJWNNQM-QWRGUYRKSA-N 185.311 2.143 0 20 AEAD CCC1CCN(Cc2cn[nH]c2)CC1 678195429 HANPTCHIXMDPLB-UHFFFAOYSA-N 193.294 2.032 0 20 AEAD CC(C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1C 682099256 ZOPRTAOVHIQUIH-VHSXEESVSA-N 197.322 2.441 0 20 AEAD CCN(CCC[C@H](C)O)C1CCC1 682760522 YPYLJEBYJQPBLT-JTQLQIEISA-N 185.311 2.022 0 20 AEAD C[C@@H]1CC[C@H](CN2C[C@H](C)[C@@H](C)C2)O1 682760761 NSQPGTMQKYEWPQ-NNYUYHANSA-N 197.322 2.142 0 20 AEAD CC[C@H]1CC[C@@H](C)N1Cc1cn[nH]c1 685471146 PCFSRAWPAGSQGS-KOLCDFICSA-N 193.294 2.173 0 20 AEAD C=CC(=O)N1CC[C@H](C2CCCC2)C1 708762435 JECXKNAJCJKOPO-NSHDSACASA-N 193.290 2.211 0 20 AEAD CC(C)(C)CCCCNC(=O)O 736248642 MUROILMKZIFFOF-UHFFFAOYSA-N 173.256 2.470 0 20 AEAD CCCOC(=O)c1ccc(C(C)=O)o1 773684857 XPTPVSLFZVQTMQ-UHFFFAOYSA-N 196.202 2.049 0 20 AEAD CCC[C@@H](C)CC(=O)NOC1CCC1 812794600 KISVTPLNRSJKOQ-SECBINFHSA-N 199.294 2.413 0 20 AEAD CCCONC(=O)[C@H]1CCC[C@@H]1CC 844090401 PVHXLRWSOHWXJF-UWVGGRQHSA-N 199.294 2.271 0 20 AEAD CC(=O)OC1(C2CCCC2)CC1 848017324 XCBLADPMGNBUOW-UHFFFAOYSA-N 168.236 2.272 0 20 AEAD CC(C)(C)NCc1ccc(Cl)nn1 877145529 JKASYKCJWXMJTM-UHFFFAOYSA-N 199.685 2.018 0 20 AEAD O=C(C1CCC1)N1C[C@H]2CCC[C@H]1C2 890324532 OGUHTGSWRJFLRQ-ONGXEEELSA-N 193.290 2.188 0 20 AEAD CCC[C@@H](C)CC(=O)NOC(C)C 1117770447 SOOZLZJMWBVQFL-SECBINFHSA-N 187.283 2.269 0 20 AEAD Cc1ccoc1C(=O)NC/C=C/Cl 1134822777 BZCGVJHBNCADKT-DUXPYHPUSA-N 199.637 2.070 0 20 AEAD C[C@@H](NC1(C)CC1)[C@H]1C[C@H]2CC[C@H]1O2 1332400588 IIXOKWVJHYMKSB-GWOFURMSSA-N 195.306 2.085 0 20 AEAD CCCCCNC1CC(CC(=O)O)C1 1334794895 VQGJAQZXHVWZFT-UHFFFAOYSA-N 199.294 2.020 0 20 AEAD O=C(C1=CCCC1)N1CCCSC1 1337390258 ZLOLXXAWFYAPHX-UHFFFAOYSA-N 197.303 2.020 0 20 AEAD O=C(O)[C@H](F)CCc1ccccc1 33966154 GXPWLXURDGFCCN-SECBINFHSA-N 182.194 2.042 0 20 AEAD C[C@@H](N[C@H](C)C1CC1)C1CC1 35733289 CPWHXFRVUHJQIT-HTQZYQBOSA-N 153.269 2.173 0 20 AEAD Cn1cc(NC[C@@H]2CC=CCC2)cn1 35737558 AUXQJDHPXKBRLI-SNVBAGLBSA-N 191.278 2.188 0 20 AEAD O[C@@H]1CCC[C@H]1Oc1ccc(F)cc1 37695650 DDLLKRKFHSYJSH-GHMZBOCLSA-N 196.221 2.118 0 20 AEAD CCC(CC)NC[C@H](O)c1ccco1 37862798 NNMZSJAOXAZYHZ-JTQLQIEISA-N 197.278 2.091 0 20 AEAD CC(C)CN(CC[C@H](C)O)C(C)C 44177347 URFIUQZYKDRROC-NSHDSACASA-N 187.327 2.124 0 20 AEAD CCOc1ccccc1C(C)(C)N 55240015 BGGQQOAKLJKGBD-UHFFFAOYSA-N 179.263 2.279 0 20 AEAD CC1(CNc2ccc(F)cc2)COC1 70616796 RWNYAUIMAUUZRR-UHFFFAOYSA-N 195.237 2.274 0 20 AEAD CC[C@H](COC)Nc1cc(C)ccn1 70626039 POSYPEKKBSSODR-SNVBAGLBSA-N 194.278 2.227 0 20 AEAD C[C@H]1C[C@H](NCCCCO)CC[C@H]1C 82846326 NVFZSZRYSSPDQS-GRYCIOLGSA-N 199.338 2.173 0 20 AEAD Cc1ccc(CCNCC(C)C)nc1 88135513 VQZOJEJMMHLCHF-UHFFFAOYSA-N 192.306 2.178 0 20 AEAD CC[C@H](C)[C@@H](C)NCC(C)(C)CO 88170555 KXNZGMHEZZIPKL-VHSXEESVSA-N 187.327 2.029 0 20 AEAD NC1(c2cccc(F)c2Cl)CC1 104458235 QHCSKWYFGAQHBB-UHFFFAOYSA-N 185.629 2.427 0 20 AEAD CC[C@H]1C(=O)N(C2CCCC2)N=C1C 107892634 UEEVEHRIKQEGQJ-SNVBAGLBSA-N 194.278 2.173 0 20 AEAD COC(=O)NCC1C(C)(C)C1(C)C 127558221 REOWDEOANQXSKJ-UHFFFAOYSA-N 185.267 2.025 0 20 AEAD CC[C@H](C)CNC[C@H](O)CC(C)C 128885469 KPNQNKHLCLRLER-WDEREUQCSA-N 187.327 2.029 0 20 AEAD CC(C)N(C)Cc1ccc(O)cc1 132397782 QMRRXHPSNDJFPB-UHFFFAOYSA-N 179.263 2.232 0 20 AEAD CN(C)C(=O)N(C)C1CCCCCC1 135874300 CHUYLGHJRNYQPT-UHFFFAOYSA-N 198.310 2.323 0 20 AEAD CC(C)(C)C(=O)OCc1cncs1 143143705 ATLGADUTYHYJGE-UHFFFAOYSA-N 199.275 2.232 0 20 AEAD CCCN1CCN(CCC)C(C)(C)C1 148158199 PBJTVJXRBUKDTN-UHFFFAOYSA-N 198.354 2.203 0 20 AEAD C[C@@H](CN[C@H]1CCCOC1)C(C)(C)C 161985761 KCJODHCVIVVLTL-QWRGUYRKSA-N 199.338 2.437 0 20 AEAD O=C1CCC(Cc2ccncc2)CC1 168715397 JYDNNWYACUDJCN-UHFFFAOYSA-N 189.258 2.383 0 20 AEAD C[C@@]1(O)CCN(CC2CCCCC2)C1 226210009 IPTPBLPFUXMSRC-GFCCVEGCSA-N 197.322 2.023 0 20 AEAD CCC[C@@H](C)N[C@@H]1CCCC[C@H]1O 229584826 CXBGJKXCXOOKHA-GMTAPVOTSA-N 185.311 2.068 0 20 AEAD CCCCCCN1CC[C@H]([C@H](C)O)C1 252765291 IICUOUPLXQGEEA-RYUDHWBXSA-N 199.338 2.269 0 20 AEAD CC1CC(N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)C1 300371898 WAFWRNXETRPCQW-UARPKCRYSA-N 191.318 2.419 0 20 AEAD COC[C@@H](C)N1CCCC[C@H](C)C1 306212719 WAHQJFHYBBSNAW-WDEREUQCSA-N 185.311 2.143 0 20 AEAD CC/C=C(/C)C(=O)N1CCC1(C)C 306239847 QLVMWPBCBQSRTI-TWGQIWQCSA-N 181.279 2.354 0 20 AEAD CCc1csc(N2CC=CCC2)n1 306315585 QNLGECMCGWMBTM-UHFFFAOYSA-N 194.303 2.472 0 20 AEAD CCc1noc(C2=CCCC2)n1 306339362 KASBNQDYRQEYHF-UHFFFAOYSA-N 164.208 2.199 0 20 AEAD Cc1nnc([C@@H](C)N2CCCC2)s1 306822968 OIKARZSIVOCPCM-SSDOTTSWSA-N 197.307 2.003 0 20 AEAD C[C@@H](F)CCN1CCCSCC1 306928765 ZGRWTEBWQYXCNN-SECBINFHSA-N 191.315 2.173 0 20 AEAD C[C@H]1C[C@@H]1CNc1ccc(F)nc1 307306407 XYEOOIOMBNKZNT-JGVFFNPUSA-N 180.226 2.289 0 20 AEAD Cc1noc([C@@H]2CCCCS2)n1 307350981 AZANGCCDVRIBNQ-ZETCQYMHSA-N 184.264 2.336 0 20 AEAD CC(C)C(=O)N(C)[C@@H]1CC[C@H](C)C1 307675214 FLSLBRVBZAMKQX-VHSXEESVSA-N 183.295 2.289 0 20 AEAD CSC1(CNC/C=C\Cl)CC1 307904771 ZIAGCXVUYXXURY-DJWKRKHSSA-N 191.727 2.224 0 20 AEAD CC(C)OC[C@@H](C)NC1(C)CCC1 308157636 SGWVMFRCGREPCJ-SNVBAGLBSA-N 185.311 2.332 0 20 AEAD CCC1(C(=O)OCCCF)CCC1 308408640 KSMXXMHNIDKXFF-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD CC[C@H](O)CN[C@@H]1CCC[C@H]1C(C)C 308550487 XIKPERPGXQZYMR-SDDRHHMPSA-N 199.338 2.172 0 20 AEAD CCCC(=O)N(C)Cc1occc1C 308623093 XLHKJRTXJNBLFO-UHFFFAOYSA-N 195.262 2.347 0 20 AEAD CC(C)N(C)C(=O)N[C@@H]1C=CCCC1 334310378 KORDXMRQAFIRHU-SNVBAGLBSA-N 196.294 2.145 0 20 AEAD CCc1cncc(-c2nc(C)no2)c1 334418152 PHYDOVMUGINILC-UHFFFAOYSA-N 189.218 2.002 0 20 AEAD CCCc1noc([C@@H]2CC2(F)F)n1 334528461 KAZFVODGHPNOSM-YFKPBYRVSA-N 188.177 2.145 0 20 AEAD C[C@H]1C[C@@H]1Cc1nc(C2(C)CC2)no1 334670522 PEZLUBHGHVALDZ-JGVFFNPUSA-N 192.262 2.320 0 20 AEAD Cc1sccc1C(=O)NC1CCC1 334723719 GEGOWUOTBSXIFA-UHFFFAOYSA-N 195.287 2.339 0 20 AEAD C1CC1c1noc([C@H]2C[C@H]2C2CC2)n1 335400482 VGEDOSFXFBNNCR-IUCAKERBSA-N 190.246 2.461 0 20 AEAD CO[C@@H]1CCN(CC(C)C)CC1(C)C 336206935 KLVUIBFTERUUII-LLVKDONJSA-N 199.338 2.389 0 20 AEAD CC[C@]1(C)CCCN([C@@H]2CCOC2)C1 336438280 RIBYZQZHBQZRLJ-VXGBXAGGSA-N 197.322 2.287 0 20 AEAD CN(Cc1cc(O)cc(F)c1)C1CC1 336583282 DPGYSFVVMMPNDL-UHFFFAOYSA-N 195.237 2.126 0 20 AEAD COC[C@@H]1CCCN(C2CCCC2)C1 336595322 VSJRXAYLNFHYTM-LLVKDONJSA-N 197.322 2.287 0 20 AEAD CC[C@@H](N[C@@H]1CCC1(C)C)C(C)(C)O 378850310 DQQQWTSCKKTVAL-NXEZZACHSA-N 199.338 2.314 0 20 AEAD CC[C@@H](C)CNCC[C@@H](C)OC 379320519 WXGTUPPXNXKXRX-NXEZZACHSA-N 173.300 2.047 0 20 AEAD CCC(C)(C)CC(=O)N[C@H](C)CF 379359743 ZRDBKMIHYVXRSK-MRVPVSSYSA-N 189.274 2.287 0 20 AEAD CCN(C(=O)OC)[C@@H](C)C(F)(F)F 379415063 PFLSVALTSFZTQA-YFKPBYRVSA-N 199.172 2.026 0 20 AEAD CO[C@@H](C)CCN[C@H](C(C)C)C1CC1 379582059 LIDSLNQWKWOSAX-CMPLNLGQSA-N 199.338 2.436 0 20 AEAD CC/C=C\CNC(=N)NC1CCCC1 385069877 VQINFHXMIBSGAV-UTCJRWHESA-N 195.310 2.009 0 20 AEAD CCC[C@H](CNC[C@H]1CC1(C)C)OC 386468382 QEICGQGJJPMAFD-GHMZBOCLSA-N 199.338 2.437 0 20 AEAD CC(C)C(N[C@H](C)[C@H](C)O)C(C)C 386998209 HWXDDPIOOWQZPP-ZJUUUORDSA-N 187.327 2.026 0 20 AEAD CCC(CC)CC(=O)NC1(C)CC1 388738694 XHEWOWAPTUMEEJ-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CC[C@H](C)N[C@@H](CC)C[C@H](C)CO 388746704 ZGRWGBWXJLUPFT-DCAQKATOSA-N 187.327 2.172 0 20 AEAD 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180.251 2.208 0 20 AEAD C[C@H]1CCC(F)(F)C1 114540976 NBSJCAVRXHCOAD-YFKPBYRVSA-N 120.142 2.442 0 20 AEAD CCN(C)c1cccc(C(=O)O)c1C 116559902 VVJDZMGEANDXOE-UHFFFAOYSA-N 193.246 2.149 0 20 AEAD CCNC(=O)c1cccc(C)c1Cl 129124921 JLWURTPBWVUNGA-UHFFFAOYSA-N 197.665 2.398 0 20 AEAD CCc1ccccc1NCC[C@@H](C)O 133545566 STJQKJPXFQPTLW-SNVBAGLBSA-N 193.290 2.432 0 20 AEAD C#CCCOC(=O)c1ccc(F)cc1 145059903 XCUIHDRWGFBKDC-UHFFFAOYSA-N 192.189 2.006 0 20 AEAD C[C@@H]1C[C@@H](C)N(CCCCCCN)C1 157930269 LOXLVJMXNVJHBP-VXGBXAGGSA-N 198.354 2.236 0 20 AEAD CC[C@H](C)N[C@H](C)C1CCOCC1 166338883 JQILMRTVOVMISC-VHSXEESVSA-N 185.311 2.190 0 20 AEAD CO[C@@H](C)CN[C@H](C)CC(C)C 167003962 IERATHCPWNZHQH-ZJUUUORDSA-N 173.300 2.046 0 20 AEAD CC(C)Oc1cccc(F)c1C=O 167592173 YGOUXDFRAGLTTF-UHFFFAOYSA-N 182.194 2.425 0 20 AEAD C=C(C(=O)OC)c1ccc(F)cc1 167718935 BDVRUQFTBIASPT-UHFFFAOYSA-N 180.178 2.012 0 20 AEAD CCc1nccn1C/C=C\Cl 216910435 WMCBBPCRRSEOOT-ARJAWSKDSA-N 170.643 2.198 0 20 AEAD CC(C)[C@@](C)(CN)NCCC1CCC1 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191.274 2.064 0 20 AEAD NCc1cc(C2CC2)cs1 70601118 RQCKTRIMYQQUOJ-UHFFFAOYSA-N 153.250 2.084 0 20 AEAD Oc1ccccc1[C@H]1CCC[C@H]1O 75568449 GRGCQHCYYXXYRP-MWLCHTKSSA-N 178.231 2.021 0 20 AEAD CC(C)N(C(=O)C1CCC1)C1CC1 82356618 GPEAMEYXEZQJKV-UHFFFAOYSA-N 181.279 2.186 0 20 AEAD C[C@H]1CCC[C@H](C)C1NCC(C)(C)O 83461584 QUPPTPRJRYNFDT-UWVGGRQHSA-N 199.338 2.172 0 20 AEAD CC[C@@H](C)NCC1(O)CCC(C)CC1 83468423 QDSZTCZDQVQNGK-MOENNCHZSA-N 199.338 2.316 0 20 AEAD OCCSC/C(Cl)=C/Cl 86000848 XNSFXLBMNZUHDN-HYXAFXHYSA-N 187.091 2.031 0 20 AEAD CC1(C)CC[C@@H](NCC2(C)COC2)C1 87772398 RMKHIPHLTVRRPG-SNVBAGLBSA-N 197.322 2.191 0 20 AEAD CC[C@@H](N)CN[C@@H](C)c1ccccc1 107785247 ALVQMLJXQUWPLB-CMPLNLGQSA-N 192.306 2.075 0 20 AEAD CC1(C)CC[C@H](Nc2ncccn2)C1 122385311 LFPBBDQMYVEDGL-VIFPVBQESA-N 191.278 2.467 0 20 AEAD Cc1ccc(CNc2ccccn2)nc1 124525629 VLSVUUORPADNTJ-UHFFFAOYSA-N 199.257 2.397 0 20 AEAD CC(C)NCCCN[C@H]1CC[C@H](C)C1 129378822 FSGOOUQNSJTELS-RYUDHWBXSA-N 198.354 2.153 0 20 AEAD 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192.262 2.181 0 20 AEAD CC1CC(NCCCC2(O)CCC2)C1 643295489 OKUBBPZIQZJMBX-UHFFFAOYSA-N 197.322 2.070 0 20 AEAD CC[C@@H]1CC[C@H]1NCC[C@@H](C)CCO 648623995 XBDDQRNZIASIIC-IJLUTSLNSA-N 199.338 2.173 0 20 AEAD C[C@H]1C[C@@H]1CN1CCCC(F)(F)C1 651896404 QXKDIUZLKLWYHG-DTWKUNHWSA-N 189.249 2.374 0 20 AEAD CCCCC[C@H]1CCCN1C[C@H](C)N 652343674 DDQKAWREYRXEKU-RYUDHWBXSA-N 198.354 2.378 0 20 AEAD COCC[C@H](C)CN[C@H]1CC[C@@H](C)C1 666193939 FRSYFDLSJLNABX-WOPDTQHZSA-N 199.338 2.437 0 20 AEAD CCC(CC)CN[C@H]1CC[C@@H](CN)C1 666963051 BSMKGFCIUXYPMV-NEPJUHHUSA-N 198.354 2.140 0 20 AEAD CC(C)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 674338109 MFJBECCYEHFILV-WDEREUQCSA-N 195.306 2.147 0 20 AEAD CC1=CCCN(CC(C)C)C1 684774079 QIFHEPUTCNCUPY-UHFFFAOYSA-N 153.269 2.294 0 20 AEAD C[C@H](NCCCF)C1(Cl)CC1 695660128 VZEKSGCSMHOJHC-ZETCQYMHSA-N 179.666 2.096 0 20 AEAD C=C/C=C\CCNC(=O)CC1CCC1 713470578 IHTVYKYARHDXSS-ARJAWSKDSA-N 193.290 2.425 0 20 AEAD NCCc1ccc([C@H]2CC2(F)F)cc1 718976529 ACRFNGSOPDFGEV-SNVBAGLBSA-N 197.228 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CC[C@@H](C)[C@H](C)N1CCCOCC1 1657077301 JVJCMVOQUNBWGH-MNOVXSKESA-N 185.311 2.143 0 20 AEAD Cc1nn(C2CCCC2)c(C)c1N 19869414 RSYRTODUFPREMR-UHFFFAOYSA-N 179.267 2.197 0 20 AEAD C[C@@H](O)CNC(C)(C)CC(C)(C)C 43434750 LQYCSBHSQNZALS-SECBINFHSA-N 187.327 2.172 0 20 AEAD CCC(CC)NCc1cnn(CC)c1 50539339 PQJXNLZVENJDOF-UHFFFAOYSA-N 195.310 2.181 0 20 AEAD CC(C)CNCCOC1CCCC1 52600562 CREBNGADCVDTOZ-UHFFFAOYSA-N 185.311 2.191 0 20 AEAD CCCCNCCN(C)[C@H](C)CC 53377451 XIAYVASYQNKWQG-LLVKDONJSA-N 186.343 2.106 0 20 AEAD Cc1nc(CNCC2CC2)sc1C 70627151 PDRQOFAYAHTZKD-UHFFFAOYSA-N 196.319 2.260 0 20 AEAD COCCN[C@@H]1CC[C@H](C)C[C@H]1C 78465335 NYDKXSKELZUPBA-HBNTYKKESA-N 185.311 2.047 0 20 AEAD CCCN[C@@H](CCO)c1ccccc1 82918010 XPRYGAWIGWRYQF-LBPRGKRZSA-N 193.290 2.110 0 20 AEAD Cc1ccc([C@H](O)CCN)cc1Cl 83557775 RKBCNZBGHHLCOV-SNVBAGLBSA-N 199.681 2.031 0 20 AEAD CCOCSc1ccccc1O 83756458 OJKJZSIGFHHXFI-UHFFFAOYSA-N 184.260 2.478 0 20 AEAD O=C(O)[C@@H](F)c1cc(F)cc(F)c1 83822443 MZVNGSGHYLFNHX-ZETCQYMHSA-N 190.120 2.060 0 20 AEAD CCCCCCN[C@H](C)CCCO 87358503 MECDOPRGJIXLHN-LLVKDONJSA-N 187.327 2.317 0 20 AEAD CN(C)c1ccc(O)cc1Cl 95711915 AHKSBJIXNZVCCR-UHFFFAOYSA-N 171.627 2.112 0 20 AEAD COCC(C)(C)NCc1occc1C 126758230 QONMIUCGVUFPRX-UHFFFAOYSA-N 197.278 2.103 0 20 AEAD C[C@@H]1CC[C@@H](NC(=O)NC2CCC2)C1 128826116 XCWAMMATTHDEQW-PSASIEDQSA-N 196.294 2.027 0 20 AEAD CCCNC(=O)N[C@@H]1CCC[C@H](C)C1 136007472 GSLFNROMYVGWPI-VHSXEESVSA-N 198.310 2.274 0 20 AEAD C[C@@H](CNC(=O)c1ccco1)C1CC1 136183116 RYCAOQNHEDNXHY-QMMMGPOBSA-N 193.246 2.056 0 20 AEAD CCOCCOc1cccc(OC)c1 149852830 QFKKEGCMCHBDTN-UHFFFAOYSA-N 196.246 2.111 0 20 AEAD C[C@H]1C[C@H](C)N(CCCCCCN)C1 157930125 LOXLVJMXNVJHBP-RYUDHWBXSA-N 198.354 2.236 0 20 AEAD CO[C@@H](C)CNCC1CCCCC1 167003587 KTCPYFUCDNXDBD-JTQLQIEISA-N 185.311 2.191 0 20 AEAD O=C(C=C1CCCC1)N1CCCC1 219356735 IWEYVERRWCFTRU-UHFFFAOYSA-N 179.263 2.109 0 20 AEAD CC(C)[C@](C)(CN)NCCC1CCC1 229091085 IXDAHPRUWLGVRX-LBPRGKRZSA-N 198.354 2.140 0 20 AEAD CCCC[C@H](NCC1CCC1)C(=O)O 232448277 QDEJKBRHJBQCFE-JTQLQIEISA-N 199.294 2.020 0 20 AEAD CCCC1(CN[C@H](C)CC(=O)O)CC1 232962652 VVXBDCBEZKLMNH-SECBINFHSA-N 199.294 2.020 0 20 AEAD C[C@@H]1CCn2c(nc3ccccc32)N1 235290723 PCBFMCUXEZQVHR-MRVPVSSYSA-N 187.246 2.240 0 20 AEAD CC[C@H](O)CN[C@@H]1CCC[C@H](CC)C1 251904018 XBVBMVQIMPICSG-TUAOUCFPSA-N 199.338 2.316 0 20 AEAD C[C@H]1C[C@@H](C)C[C@](C)(O)C1 252121289 KVZFVAMCMZOOOW-BRPSZJMVSA-N 142.242 2.194 0 20 AEAD Cc1noc(-c2ccncc2Cl)n1 306153320 APYYZGUEQUUNRW-UHFFFAOYSA-N 195.609 2.093 0 20 AEAD C[C@@H]1CSC[C@H]1NCC1CCC1 306453439 JGJGPHYPUIUHJO-PSASIEDQSA-N 185.336 2.128 0 20 AEAD Cc1cc([C@@H](C)NC2CC=CC2)no1 307323695 RPECJDZZZSPPOS-SECBINFHSA-N 192.262 2.352 0 20 AEAD FCCN[C@H]1CCc2c(F)cccc21 307375289 ZBDBTPAZWRWFAS-NSHDSACASA-N 197.228 2.372 0 20 AEAD CC[C@H](C)N1CC[C@@H](C)C1 307729569 GAQNCKZAJRLSDM-BDAKNGLRSA-N 141.258 2.127 0 20 AEAD CC1(C(=O)OCCC2CC2)CC1 307948760 MEKIFUISWHCZMU-UHFFFAOYSA-N 168.236 2.130 0 20 AEAD CCCN(CC)c1ccc(F)cn1 308171602 BOYWIIJJODXCBH-UHFFFAOYSA-N 182.242 2.457 0 20 AEAD C/C=C(\CC)C(=O)NCCC1CC1 308316267 VQASTDIYOZQYCG-XCVCLJGOSA-N 181.279 2.259 0 20 AEAD c1cn(CCCC2CCCC2)nn1 308320179 ANQORCFSEGWXMF-UHFFFAOYSA-N 179.267 2.249 0 20 AEAD CC[C@@H]1CC[C@@H]1N[C@H](C)CCN(C)C 308614797 ROTZEYDBSYUFFK-UTUOFQBUSA-N 198.354 2.105 0 20 AEAD CC[C@@H](NC1CCOCC1)C1CCC1 322337518 AOYBWJJNLMXQCO-GFCCVEGCSA-N 197.322 2.334 0 20 AEAD CC(C)N(C)C(=O)N1C[C@H](C)C[C@@H]1C 334540922 HBFBOUHDPMKDGP-ZJUUUORDSA-N 198.310 2.177 0 20 AEAD CCCC(=O)Nc1noc(C)c1C 334855127 FLITWKFORGQJGG-UHFFFAOYSA-N 182.223 2.030 0 20 AEAD CCc1ccc(CN2CC(C)C2)cn1 335206604 XXWRWTIYGTXWCL-UHFFFAOYSA-N 190.290 2.096 0 20 AEAD Cc1oncc1CN1[C@@H](C)CC[C@@H]1C 335874034 YYOLKWDIPUTHKT-IUCAKERBSA-N 194.278 2.356 0 20 AEAD Cc1n[nH]cc1CN1[C@@H](C)CC[C@H]1C 335945905 MPHPEIUSLDVCGW-DTORHVGOSA-N 193.294 2.091 0 20 AEAD FC1=CCCN(C[C@H]2CCCCO2)C1 335968543 JRHTXTHXLUHVFB-LLVKDONJSA-N 199.269 2.115 0 20 AEAD C[C@@H]1CCC[C@]1(C)C(=O)N1CCCC1 336232081 IOPUEPSZSFUUTH-PWSUYJOCSA-N 195.306 2.435 0 20 AEAD C[C@@H]1CCCN(C(=O)C2(C)CC2)[C@@H]1C 336414802 NCGZYRGSBSVZQW-NXEZZACHSA-N 195.306 2.434 0 20 AEAD CC(=O)N(C1CC1)[C@H](C)c1ccco1 336511437 PZRZLCATJVNJFP-MRVPVSSYSA-N 193.246 2.352 0 20 AEAD C/C=C\C(=O)NCC1CC(C)(C)C1 379356935 PVCDDSIAXCSTBQ-PLNGDYQASA-N 181.279 2.115 0 20 AEAD CCN(CC)Cc1ccc(F)cn1 379368839 ZDUIBJDVKVMRKL-UHFFFAOYSA-N 182.242 2.063 0 20 AEAD C/C=C(/C=C\C(=O)OCCF)CC 379390072 MXIUPOWBTCGWML-JZDKOIQPSA-N 186.226 2.412 0 20 AEAD CC[C@@H](CC(=O)NC1CC1)C(C)C 379396884 KCTHSEBHEXZYCX-VIFPVBQESA-N 183.295 2.337 0 20 AEAD Cc1ccnc(CS[C@H](C)CO)c1 379403639 PUHAQRWNIVNBGP-SECBINFHSA-N 197.303 2.004 0 20 AEAD CC[C@@]1(C)CCN(CCC[C@@H](C)O)C1 379579364 WNDDCMCORCOTSF-NEPJUHHUSA-N 199.338 2.269 0 20 AEAD CC[C@H](CNCc1ccc(C)o1)OC 379611561 UPKDBOFCGGPTKR-SNVBAGLBSA-N 197.278 2.103 0 20 AEAD CC[C@@H](NC1CCC1)c1ccn(C)n1 379642108 VSVACIOPSPKXIT-SNVBAGLBSA-N 193.294 2.013 0 20 AEAD COC1(CCNC[C@@H]2C[C@@H]2C)CCC1 381897834 UGAPPIIDILYDGH-QWRGUYRKSA-N 197.322 2.191 0 20 AEAD C[C@H](CCCO)CN[C@H]1CCC[C@H]1C 384695377 JFGFTHRZJAYEFQ-UTUOFQBUSA-N 199.338 2.173 0 20 AEAD CCC(CC)N[C@@H](C)CC(C)(C)O 385003600 MJEFAIGCLMLBFN-VIFPVBQESA-N 187.327 2.314 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@@H](COC)C(C)C 387732763 SSTGZFGHTYBXPP-WOPDTQHZSA-N 199.338 2.293 0 20 AEAD CCCCNC(=O)CCC1CC1 388515529 UFSWKMGRQSVGLT-UHFFFAOYSA-N 169.268 2.093 0 20 AEAD C=Cc1cccc([C@H]2COCC2=O)c1 521400168 CWWNUZBRUSVQNZ-LLVKDONJSA-N 188.226 2.013 0 20 AEAD C[C@@H]1C[C@@H]1C(=O)N1CCCC(C)(C)C1 602828282 VGEMFZSKILWWJJ-ZJUUUORDSA-N 195.306 2.291 0 20 AEAD O=C(CCCF)N1CC[C@H]2CCC[C@H]21 613695452 RNZSNWWTYKFCST-NXEZZACHSA-N 199.269 2.137 0 20 AEAD CCCc1nc(C(=O)OC(C)C)co1 618789933 QZNMJBOXOUKVGD-UHFFFAOYSA-N 197.234 2.192 0 20 AEAD CCCCCn1cc(COCC)nn1 640752950 XLZGKDQAMKJWKL-UHFFFAOYSA-N 197.282 2.005 0 20 AEAD CCCCCNC(=O)NC[C@@H]1C[C@H]1C 642615658 WFACAVXQCGJUAV-ZJUUUORDSA-N 198.310 2.132 0 20 AEAD C[C@H]1C[C@@H](C)CN(C[C@@H]2CCOC2)C1 642620664 OEVLKTNIMNNZLX-TUAOUCFPSA-N 197.322 2.001 0 20 AEAD OCCCCN(C1CCC1)C1CCC1 644784879 GMOIEPLBVIHLHQ-UHFFFAOYSA-N 197.322 2.166 0 20 AEAD COCCN[C@@H](C)[C@H]1CCC[C@@H](C)C1 650319927 YDIAEQOAOPOWFB-WOPDTQHZSA-N 199.338 2.437 0 20 AEAD CCC[C@H](CC)N[C@@H](C)C1(CO)CC1 658156525 VKHKMYCNEDKKDZ-QWRGUYRKSA-N 199.338 2.316 0 20 AEAD CC[C@H](C)CNC[C@@H]1C[C@H](C)O[C@H]1C 666430796 TZAADHMMAZIXFD-BJDJZHNGSA-N 199.338 2.436 0 20 AEAD CCC(CC)CNC(=O)CCCF 668305371 LIRJURGRWKOROU-UHFFFAOYSA-N 189.274 2.289 0 20 AEAD C[C@H]1CCCN1CCOC(C)(C)C 674458446 FSXWBTRFXGBXKO-JTQLQIEISA-N 185.311 2.286 0 20 AEAD c1coc([C@@H]2CCN(CC3CC3)C2)c1 675638969 AIJPATUYOTUYQE-LLVKDONJSA-N 191.274 2.479 0 20 AEAD CC/C=C/CCN1CCO[C@H](C)[C@@H]1C 681023244 ZGERKJFNLZKTFB-CYLBZQBVSA-N 197.322 2.452 0 20 AEAD C[C@H](C[C@H]1CCOC1)N[C@@H]1C=CCC1 698229842 HFQPHKKINQPVKU-IJLUTSLNSA-N 195.306 2.110 0 20 AEAD COC(C)(C)[C@@H](C)NC[C@H]1C=CCC1 711787897 OZJHVCZULZRBDD-MNOVXSKESA-N 197.322 2.356 0 20 AEAD CCC[C@H](CCO)NCCC(C)C 716885068 KOPKJFGUYJBLSM-LLVKDONJSA-N 187.327 2.173 0 20 AEAD CCC(=O)O[C@H]1COc2ccccc21 747009505 WFCBZRFQYJEDHK-JTQLQIEISA-N 192.214 2.073 0 20 AEAD CO[C@H](C)C(=O)OCC1=CCCCC1 835821870 NSNRQOKCRMIVGW-SECBINFHSA-N 198.262 2.065 0 20 AEAD CC(C)=CCCOC(=O)[C@@H]1CCCO1 849655947 ZXTPMEOZARCVQX-JTQLQIEISA-N 198.262 2.065 0 20 AEAD CCN(CC1CC1)[C@@H]1CC[C@H](OC)C1 851768986 QBOUNEDIZZCGQU-NEPJUHHUSA-N 197.322 2.286 0 20 AEAD CC1(C(=O)N[C@H]2C=CCC2)CCCC1 855424700 GDUFMTXBTVTURK-JTQLQIEISA-N 193.290 2.402 0 20 AEAD CC[C@H](C)[C@@H](C)NCC[C@@H](O)C1CC1 898203783 JBAYUNFMCVPTLU-HOSYDEDBSA-N 199.338 2.172 0 20 AEAD CC(C(=O)N1CC[C@@H]1C)=C1CCC1 914154716 LRIVJJCVBGRQQX-QMMMGPOBSA-N 179.263 2.108 0 20 AEAD CC[C@H](F)C(=O)N[C@H](C)C1CCC1 1353621196 RXELKDYYMYLJBT-APPZFPTMSA-N 187.258 2.039 0 20 AEAD CC[C@H](C)N1CCCCC1 15442110 ARJRHPLYUDOSCK-VIFPVBQESA-N 141.258 2.271 0 20 AEAD Nc1ccccc1NCc1ccncc1 20384270 RSEKREVGGYZOEC-UHFFFAOYSA-N 199.257 2.276 0 20 AEAD CC[C@@H](NC[C@H](C)O)c1ccccc1 35602050 QANAASCQCWGHON-CMPLNLGQSA-N 193.290 2.108 0 20 AEAD C[C@@H]1C[C@@H]1CNC(C)(C)C 37927157 IKAWPANQROULOU-HTQZYQBOSA-N 141.258 2.031 0 20 AEAD CCc1cccc2c1CC[C@@H]2N 52201467 OLBTXMPYGJXNGP-NSHDSACASA-N 161.248 2.195 0 20 AEAD C[C@@H](NC1CC1)C1CCCC1 54077222 KZSFKTVZUCVZOA-MRVPVSSYSA-N 153.269 2.317 0 20 AEAD C[C@H](NCCCCO)c1ccsc1 61362600 ZSJLGAPPLPXZQK-VIFPVBQESA-N 199.319 2.171 0 20 AEAD CCC(=O)N1CC[C@H]2CCCC[C@H]2C1 70223382 JYTMYKHRNJPMDJ-MNOVXSKESA-N 195.306 2.435 0 20 AEAD CC1CCC([C@H]2C[C@H]2N)CC1 84339733 DZSFRKOLAPJNTK-YDYPAMBWSA-N 153.269 2.160 0 20 AEAD CC(C)S[C@]1(C(=O)O)CC[C@H]1C 85630509 ZKKUEPCYKNZJGX-VXNVDRBHSA-N 188.292 2.381 0 20 AEAD C[C@@H](CO)c1c(F)cccc1F 85657499 PCDSEZVBBHFTJV-LURJTMIESA-N 172.174 2.061 0 20 AEAD C[C@@H](O)[C@@H](C)SCc1ccco1 87139418 AGBAEPASULLQQE-HTQZYQBOSA-N 186.276 2.282 0 20 AEAD O=C(/C=C\c1cccs1)NC1CC1 98053592 WUKRWUFGDTZLJP-WAYWQWQTSA-N 193.271 2.040 0 20 AEAD NC(=S)c1cccc(C(F)F)c1 124808654 QUSSZUGVZDAWCM-UHFFFAOYSA-N 187.214 2.258 0 20 AEAD CCCC[C@@H](CC)NCC1(CO)CC1 132379741 LVUJFUDPJOEGGT-LLVKDONJSA-N 199.338 2.317 0 20 AEAD CC(C)(C)ONC(=O)c1cccs1 134514473 MHSUNOZDYGALDO-UHFFFAOYSA-N 199.275 2.208 0 20 AEAD CCOC(=O)[C@H](C)c1ccc(C)o1 135996480 FITMKEODRWGOEC-MRVPVSSYSA-N 182.219 2.255 0 20 AEAD COC(=O)N[C@H](C)c1ccc(C)s1 136177193 QQRZIMPUOIKSOG-SSDOTTSWSA-N 199.275 2.474 0 20 AEAD CC[C@H](C)CNCC1(CO)CCCC1 168588139 MPMNUKZSDMHMML-NSHDSACASA-N 199.338 2.175 0 20 AEAD CN(C[C@H]1CC[C@@H](N)C1)CC(C)(C)C 227799070 WBROTDPNGFGHBM-WDEREUQCSA-N 198.354 2.092 0 20 AEAD CC[C@@H](C)NC[C@](C)(CC)OC 233860585 VFPMYCZOUVTGNB-ZJUUUORDSA-N 173.300 2.190 0 20 AEAD O=C(C=C1CCCCC1)NC1CC1 244237277 WEYGOEXPWVKATE-UHFFFAOYSA-N 179.263 2.156 0 20 AEAD CC[C@@H]1CCCN([C@@H](C)[C@H](C)O)CC1 251743824 KZOLRWKAIINXKW-SDDRHHMPSA-N 199.338 2.268 0 20 AEAD C[C@@H]1C[C@@H]1CN[C@H]1CCOC(C)(C)C1 252951483 DXWJLPYALKBKEW-MXWKQRLJSA-N 197.322 2.190 0 20 AEAD C[C@H]1CCN1c1nc(C2CC2)ns1 306156931 LOISTZDTJJYHAV-LURJTMIESA-N 195.291 2.014 0 20 AEAD C1CC([C@H]2CC[C@@H]2NC2CC2)C1 306177056 AANUZOREHKFNRO-MNOVXSKESA-N 165.280 2.317 0 20 AEAD C[C@@H]1CCN(C[C@H]2CCSC2)[C@@H]1C 306222671 RBWKKABOVRCFSZ-GMTAPVOTSA-N 199.363 2.470 0 20 AEAD CO[C@@H]1CCC[C@H]1N[C@H]1CC[C@H](C)C1 306261138 WHXRDVKBGBPYSS-NNYUYHANSA-N 197.322 2.332 0 20 AEAD CCC(C)(C)C(=O)NC1CC(C)C1 306796978 XLGKXMUAPYQCHI-UHFFFAOYSA-N 183.295 2.337 0 20 AEAD CC1CC(N[C@@H]2CC[C@H](F)C2)C1 306968484 QYFPXJTXLVCUNL-APTHBXDWSA-N 171.259 2.265 0 20 AEAD CS/C=C/C(=O)N1CCC(C)(C)C1 306968491 QYIUCXXIDBUKEQ-QPJJXVBHSA-N 199.319 2.122 0 20 AEAD CCC[C@@H]1C[C@H]1C(=O)NC(C)(C)C 308225403 MRUTYRFYFLWAGB-RKDXNWHRSA-N 183.295 2.337 0 20 AEAD CC[C@H](C)COC(=O)C[C@@H](C)OC 308252995 CIIHVOBGIYNDIO-DTWKUNHWSA-N 188.267 2.001 0 20 AEAD CO[C@@H](C)CCNc1cccc(F)n1 308533759 SEMZCWQEKWJADY-QMMMGPOBSA-N 198.241 2.058 0 20 AEAD CC[C@@H](CO)N[C@@H]1CCC[C@H]1C(C)C 308608960 QEVHMWGUUISROF-SDDRHHMPSA-N 199.338 2.172 0 20 AEAD CCC[C@H](C)c1noc([C@@H](N)CC)n1 309012109 SFEWNAJPIBRJHS-YUMQZZPRSA-N 197.282 2.383 0 20 AEAD C[C@H]1C[C@@H](C)N(Cc2ccncc2)C1 334455281 NYKDLOLPKLESQW-WDEREUQCSA-N 190.290 2.312 0 20 AEAD Cc1noc([C@H]2Cc3ccccc32)n1 334458712 RQYJXTJOFMNJBE-JTQLQIEISA-N 186.214 2.066 0 20 AEAD C[C@H](N)c1nc(C2(C)CC2)cs1 334599360 RLOOMGVYIQRHMU-LURJTMIESA-N 182.292 2.214 0 20 AEAD C[C@@H]1CCC[C@@]1(C)C(=O)NC1CC1 334666856 LAQPHZNHJMUFPF-LDYMZIIASA-N 181.279 2.091 0 20 AEAD C[C@H]1C[C@@H](C)CN(C(=O)CC2CC2)C1 334898298 CHYRVCOMKCVPBD-AOOOYVTPSA-N 195.306 2.291 0 20 AEAD CC[C@H](C)NC(=O)N(C)C1CCCC1 335065563 JZRTXNJWMJXRDI-VIFPVBQESA-N 198.310 2.369 0 20 AEAD C[C@H]1CCC[C@@H](C)CN1C(=O)N(C)C 335155231 RDQQVRINTQFLKP-ZJUUUORDSA-N 198.310 2.179 0 20 AEAD CCC1(C(=O)N[C@H]2CCC[C@H]2C)CC1 335916601 TYYOGZFFHMUPMH-ZJUUUORDSA-N 195.306 2.481 0 20 AEAD C[C@H](C(=O)N1CCCC[C@@H]1C)C1CC1 336072789 JDOYQNPKRYWXPV-UWVGGRQHSA-N 195.306 2.434 0 20 AEAD CCNC(=O)N1CC(C)(C)[C@@H]1C(C)C 336127267 ZMIDEZXGOHNMFI-VIFPVBQESA-N 198.310 2.082 0 20 AEAD C[C@H]1C[C@@H](C)CN1C(=O)C1=CCCC1 336537406 FZAKFOFXLGNTDO-ZJUUUORDSA-N 193.290 2.354 0 20 AEAD C[C@@H]1CCN(C(=O)C2CCCC2)[C@@H]1C 336620414 SWFHOCVGWSPWRA-NXEZZACHSA-N 195.306 2.434 0 20 AEAD CC[C@H](C)NC(=O)C[C@H](C)SC 379316545 ZSNORCYSEXVPLW-YUMQZZPRSA-N 189.324 2.043 0 20 AEAD CCC[C@H](C)OC(=O)CCC(C)=O 379358512 VOVNXAJZEQLJGP-VIFPVBQESA-N 186.251 2.087 0 20 AEAD CCC(C)(C)NC(=O)NCC1(C)CC1 395993251 JRUYDRHISLLJCZ-UHFFFAOYSA-N 198.310 2.274 0 20 AEAD Cn1ccc(=O)c2c(Cl)cccc21 575624323 ZULVLQKIYDNGAD-UHFFFAOYSA-N 193.633 2.192 0 20 AEAD Cc1cc(CN[C@]23CCC[C@@H]2C3)on1 630072893 LWGRBOHBSXSIQH-KOLCDFICSA-N 192.262 2.015 0 20 AEAD CCC[C@H](CCO)N[C@@H](CC)C1CC1 631668165 VYSVDUUCGPGGBO-NEPJUHHUSA-N 199.338 2.316 0 20 AEAD CC(C)(F)CNCc1ccc(O)cc1 639358275 HDCQPDGHOGGWQV-UHFFFAOYSA-N 197.253 2.230 0 20 AEAD CC[C@@H](C)CN(C)c1ncncc1C 641368616 IRIYRSJYOSLTDS-SECBINFHSA-N 193.294 2.267 0 20 AEAD CCC1(NC(=O)[C@H]2C[C@H]2C)CCCC1 651098653 VLYXKOVXDPLQMB-ZJUUUORDSA-N 195.306 2.481 0 20 AEAD CCN(C)C(=O)N(C)C[C@@H]1CC1(C)C 660172385 PKZFFKSLCNPHPJ-VIFPVBQESA-N 198.310 2.036 0 20 AEAD CC[C@@H](CO)N(C)CCCC1CCC1 660647131 CEZKOKPOYAXUHB-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD CC[C@H](CN1C[C@@H]2CCCC[C@@H]21)OC 660934048 KEDJSDKJXCOPJD-TUAOUCFPSA-N 197.322 2.286 0 20 AEAD CN(CC1CC1)C[C@H]1CC1(C)C 662345115 GVHLILXJCWBDLE-SNVBAGLBSA-N 167.296 2.374 0 20 AEAD CC[C@@H](C)CCN[C@@H](C)[C@@H]1CCCN1 665238482 ZHIILYCUPYRBON-WOPDTQHZSA-N 198.354 2.153 0 20 AEAD CC(C)(CNCC1CC1)OCC1CC1 666424476 XKRNIHRJHSXMEG-UHFFFAOYSA-N 197.322 2.191 0 20 AEAD C[C@H](CN)N[C@H]1CCC(C)(C)C[C@H]1C 666867843 NQAJAUJZOPODTM-MXWKQRLJSA-N 198.354 2.138 0 20 AEAD CCCCN1C[C@@H](C)N(CC)C[C@@H]1C 677987510 ACWYAGBPCMIHAI-NEPJUHHUSA-N 198.354 2.201 0 20 AEAD CC[C@@H](C)[C@H](C)C(=O)Nc1cn[nH]c1 679549649 ICYAFMMGUUJKKP-SFYZADRCSA-N 195.266 2.030 0 20 AEAD CC(C)=CCNC(=O)C[C@H]1C=CCC1 682952290 LPXQXOAEOJSKSI-NSHDSACASA-N 193.290 2.425 0 20 AEAD C[C@H](CNC(=O)N1CCC1)C(C)(C)C 734673993 JRZUWZGVNNCIMD-SECBINFHSA-N 198.310 2.084 0 20 AEAD 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SUJOMXRXNZWNSM-UHFFFAOYSA-N 182.223 2.029 0 20 AEAD C/C=C(/C)C(=O)N(CC)CC(C)C 308424903 QNNHFBDTOJYORU-POHAHGRESA-N 183.295 2.457 0 20 AEAD C[C@@H](CCCN)NCC1CCCCC1 308475890 DQOQADDFCXVLSL-NSHDSACASA-N 198.354 2.284 0 20 AEAD COC[C@H](NC1CC(C)(C)C1)C1CC1 308597456 NBMTWMATOSMJMS-NSHDSACASA-N 197.322 2.190 0 20 AEAD C[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C 334400191 YFQJYQUQPMSBBU-NXEZZACHSA-N 195.306 2.291 0 20 AEAD C[C@@H]1CCCCN(C[C@H]2CCCO2)C1 334423777 FYZAVAGQPDYPSY-VXGBXAGGSA-N 197.322 2.287 0 20 AEAD Cc1noc(-c2cccc(F)c2F)n1 335947145 JISGISNVQPQEDP-UHFFFAOYSA-N 196.156 2.323 0 20 AEAD C[C@@H]1C[C@@H]1CC(=O)N(C)C1CCCC1 336005700 MUGXPWXCPGKUDE-NXEZZACHSA-N 195.306 2.434 0 20 AEAD CC[C@@H]1CCCN1Cc1c[nH]nc1C 336383917 VQKPXHLPCFCSHH-LLVKDONJSA-N 193.294 2.093 0 20 AEAD C[C@H]1CCC[C@H](C)N(C(=O)C2CC2)C1 336399831 UVELBUIGFVQAPS-UWVGGRQHSA-N 195.306 2.434 0 20 AEAD C[C@@H]1CCCN(CC[C@H]2CCCO2)C1 336405044 KMYXSFXNBLUSQC-VXGBXAGGSA-N 197.322 2.287 0 20 AEAD CC(C)[C@H](C)CC(=O)N1CCCCO1 336456228 GKUVOZKXCVMQLB-SNVBAGLBSA-N 199.294 2.223 0 20 AEAD CC1(C)C[C@H]1CNC(=O)C1=CCCC1 336624027 QNGVTZKFTDVCOS-JTQLQIEISA-N 193.290 2.259 0 20 AEAD CCC[C@H](O)CN1CC[C@H]2CCC[C@@H]21 378698907 MJFHLJXGFHXDIM-WOPDTQHZSA-N 197.322 2.022 0 20 AEAD CC(C)OCCN[C@H]1CCC[C@H]2C[C@H]21 382317055 RXEWARMBDVJBKK-TUAOUCFPSA-N 197.322 2.190 0 20 AEAD CC[C@@H]1C[C@H]1CNCc1cccnc1 387663898 IEEILFBXGYXJQF-NEPJUHHUSA-N 190.290 2.217 0 20 AEAD CCC[C@H](C)NC(=O)CC(C)(F)F 388224520 JTFHCTZFMNTCCT-ZETCQYMHSA-N 193.237 2.337 0 20 AEAD CCN(CC1CC1)C(=O)CC(C)C 388756693 CWEVKRHXZHGSOD-UHFFFAOYSA-N 183.295 2.291 0 20 AEAD CO[C@@H](CNCc1ccco1)C(C)C 389347234 MFVYNFXHTAGISY-NSHDSACASA-N 197.278 2.040 0 20 AEAD C1CC2(C1)CC(NC1CSC1)C2 575512378 LYFWDIUNIQFACG-UHFFFAOYSA-N 183.320 2.024 0 20 AEAD CC[C@H]1CCCN1CCCCOC 605150392 TWQFMIBIUBAEQN-NSHDSACASA-N 185.311 2.287 0 20 AEAD CSCCCN(C)[C@H](C)C1CC1 610211584 JULALCGCWRDNEB-SECBINFHSA-N 187.352 2.470 0 20 AEAD CCC(C)(C)CNC(=O)CCCF 613995010 XIXHSGPLEHSIOC-UHFFFAOYSA-N 189.274 2.289 0 20 AEAD CC[C@@H](COC)NCC1CC(C)C1 621738505 IEVYLYQTJIJDDC-ILDUYXDCSA-N 185.311 2.047 0 20 AEAD C[C@H]1CCC[C@@H](COn2cccn2)C1 642365280 HPWUEADLSYDFNQ-WDEREUQCSA-N 194.278 2.138 0 20 AEAD CC[C@H](N[C@H]1CC=C(C)CC1)[C@@H](C)O 648754898 QPKNEQCAFQVLPJ-WOPDTQHZSA-N 197.322 2.234 0 20 AEAD C[C@H]1C[C@H]1C(=O)N(C)C1CC(C)(C)C1 655331721 QBIVDHXRFIYXBD-WCBMZHEXSA-N 195.306 2.289 0 20 AEAD CCc1cnn(C[C@@H](C)CC)c1 655689200 YQDBFSSSOZUUQH-VIFPVBQESA-N 166.268 2.492 0 20 AEAD CCN(CC)C(=O)N[C@@]1(C)CC1(C)C 660048731 PUJUPVQHKBCOLI-NSHDSACASA-N 198.310 2.226 0 20 AEAD Cc1ccc(C(=O)NC2CC=CC2)o1 675350146 PUNIWQDEKWJMEP-UHFFFAOYSA-N 191.230 2.036 0 20 AEAD CCCCCN1CCN(C)[C@@H](C)[C@@H]1C 678469925 SIURTVKVKUNBEX-RYUDHWBXSA-N 198.354 2.201 0 20 AEAD CCC[C@@H]1CCCCN1CCOC 680434956 YOQYUYKWOIJFBL-LLVKDONJSA-N 185.311 2.287 0 20 AEAD CC[C@@H]1[C@@H](C)CCN1C[C@H]1CCOC1 681469512 GQNAXFQPKGVJSF-QJPTWQEYSA-N 197.322 2.143 0 20 AEAD CC1(C)CN(C(=O)[C@H]2CC23CCC3)C1 684081340 FYEPBMWCAGGHCC-SECBINFHSA-N 193.290 2.045 0 20 AEAD Cc1csc(CN[C@@H]2C=CCC2)n1 698282612 DGDNZQQHICNGGT-SECBINFHSA-N 194.303 2.260 0 20 AEAD O=C(C=C1CCC1)NCc1ccco1 755032678 SDDHHNPQBWPACS-UHFFFAOYSA-N 191.230 2.006 0 20 AEAD CC[C@@H](C)CONC(=O)C1(CC)CC1 816979512 QBVDKHPTEWYYPG-SECBINFHSA-N 199.294 2.271 0 20 AEAD C[C@H](C(=O)OCC1CC1)C1CCC1 838390389 WREZPOWNHFZVTL-QMMMGPOBSA-N 182.263 2.376 0 20 AEAD CCC1(NC(=O)OCCCF)CC1 841524114 OPQDRSZDVGDOJT-UHFFFAOYSA-N 189.230 2.015 0 20 AEAD CCCONC(=O)[C@@H]1CCC[C@@H]1CC 844090402 PVHXLRWSOHWXJF-VHSXEESVSA-N 199.294 2.271 0 20 AEAD CCN(CC1CC1)[C@H]1CC[C@@H](OC)C1 851768988 QBOUNEDIZZCGQU-NWDGAFQWSA-N 197.322 2.286 0 20 AEAD C/C=C(\CC)C(=O)N(C1CC1)C1CC1 862852927 YDTLSMLDVCAXBO-YCRREMRBSA-N 193.290 2.496 0 20 AEAD C=C/C=C/CCONC(=N)CCC 882967769 RRKVCGAFXLTNGH-AATRIKPKSA-N 182.267 2.417 0 20 AEAD CC1=NO[C@@H](CNC2CCCCC2)C1 895310245 XRWVQSIJZYEZJY-LLVKDONJSA-N 196.294 2.074 0 20 AEAD C[C@H](CN[C@H]1C[C@H](CO)C1)C(C)(C)C 897357858 OBPFLDILRRYDCA-GMTAPVOTSA-N 199.338 2.029 0 20 AEAD CCCSCc1cc(OC)no1 902296487 KTKQEYUFQKCEPO-UHFFFAOYSA-N 187.264 2.326 0 20 AEAD CC(=O)[C@@H](C)OC(=O)C=C1CCCC1 919597767 NWROWPAQFBNTJT-SECBINFHSA-N 196.246 2.008 0 20 AEAD CC(C)(C)[C@@H]1CCC[C@H]1NCCCO 924536140 LOYCSXUMDZBSBB-GHMZBOCLSA-N 199.338 2.173 0 20 AEAD CNC[C@H](C)CN[C@H]1CCC[C@@H](C)C1 1326038235 PHWSSUILLORQIH-WOPDTQHZSA-N 198.354 2.010 0 20 AEAD CC1(c2nnc(CC3CC3)o2)CCC1 1345928440 OSXACROYFWQEKH-UHFFFAOYSA-N 192.262 2.464 0 20 AEAD CNC(=O)Nc1cscc1Cl 1627339586 JFTGAUIYOOSAFY-UHFFFAOYSA-N 190.655 2.153 0 20 AEAD COC(=O)C(C)(C)CC(C)C 5360235 LCWGYENVYPAVPG-UHFFFAOYSA-N 158.241 2.232 0 20 AEAD Cc1cc(NCC2CC2)ccc1N 35277644 VGYKJPBIRIDBPG-UHFFFAOYSA-N 176.263 2.399 0 20 AEAD C[C@H](O)CSc1ccccc1F 37697165 QEGWMGADKWGTJD-ZETCQYMHSA-N 186.251 2.299 0 20 AEAD CCCCC[C@H](C)NCCNC1CC1 42574179 BUMKQNZJVSVNFQ-NSHDSACASA-N 198.354 2.297 0 20 AEAD CCN[C@@H]1CC[C@H](C)C[C@@H]1C 43653256 BOZBDJRCACQFEI-LPEHRKFASA-N 155.285 2.421 0 20 AEAD CC[C@H](C)CNC[C@@]1(C)CCCNC1 62867957 CVCQVBINPIFCOH-RYUDHWBXSA-N 198.354 2.012 0 20 AEAD CCC(CC)CNCCSC 70184145 QDXAJEIEWYEHQV-UHFFFAOYSA-N 175.341 2.375 0 20 AEAD C[C@@H]1CC[C@@H](NC[C@@H]2CCCOC2)C1 70643489 UUINRVLEWVJCIL-GRYCIOLGSA-N 197.322 2.191 0 20 AEAD CCC[C@H](C)NCc1ccc(CO)o1 81546771 UDZPMKJEGNZPIC-VIFPVBQESA-N 197.278 2.050 0 20 AEAD C/C=C/C(=O)N1CCCC[C@@H]1CC 82551510 MTLSWSHDZSHGPJ-HTZNOQTFSA-N 181.279 2.354 0 20 AEAD CCO[C@@H]1C[C@@H](NC2CCC2)C1(C)C 82922931 QIXMLSUMRRBPFS-GHMZBOCLSA-N 197.322 2.332 0 20 AEAD C[C@H]1CC[C@@H](CNC2CCCC2)O1 88141253 IJQCNSPXXKAGTR-ONGXEEELSA-N 183.295 2.086 0 20 AEAD Cc1ncn(CCOC(C)(C)C)c1C 122801915 DJXXVZBVWGQDTN-UHFFFAOYSA-N 196.294 2.315 0 20 AEAD CC[C@H]1CC[C@@H](C)N1C(=O)C1CC1 124546345 DOGADSWTAQGKKY-SCZZXKLOSA-N 181.279 2.186 0 20 AEAD CCN(C)C(=O)N(C)CC1CCCC1 127383316 YKYPJOFFTHPXHM-UHFFFAOYSA-N 198.310 2.180 0 20 AEAD CC(C)NC(=O)N(C)[C@@H](C)C(C)C 136016958 DKPDULHLIMVTAG-VIFPVBQESA-N 186.299 2.081 0 20 AEAD C[C@@H]1C[C@H]1CNc1nccs1 136089267 RMRRZVQJXVEIHC-RQJHMYQMSA-N 168.265 2.211 0 20 AEAD Cc1nc(-c2cc(F)cc(F)c2)no1 149589938 XWJZGCKZJNUSFS-UHFFFAOYSA-N 196.156 2.323 0 20 AEAD C(=C1/CCCNCC1)\C1CCOCC1 160723009 GBNYBRZGQOWGRP-KHPPLWFESA-N 195.306 2.113 0 20 AEAD Cc1ccc(F)c(C=O)c1C 200364519 KLEKAZVLVANWHL-UHFFFAOYSA-N 152.168 2.255 0 20 AEAD COC(=O)c1cc(N)c(Cl)cc1C 214997730 MXMXDVZAVPNYKP-UHFFFAOYSA-N 199.637 2.017 0 20 AEAD CC[C@@H](C)C(=O)OCCCSC 231142077 MGNZAJRJRDKRMC-MRVPVSSYSA-N 190.308 2.329 0 20 AEAD CCc1cc2n(n1)[C@@H](C)C[C@H](C)N2 234185721 STSUQSVTYLAAQT-YUMQZZPRSA-N 179.267 2.211 0 20 AEAD CC[C@H](C)[C@@H](C)NC[C@H]1CCCNC1 251749037 GTXVCOMNTYQORP-TUAOUCFPSA-N 198.354 2.010 0 20 AEAD C[C@@H]1CC[C@H](N[C@H]2CCOC2)[C@H](C)C1 252218292 ZRZGVPSSSUCCIG-WYUUTHIRSA-N 197.322 2.190 0 20 AEAD CN(CC1CCC1)[C@H]1CCCC[C@H]1O 252386595 OWNOIOMYSQOGBO-NWDGAFQWSA-N 197.322 2.022 0 20 AEAD C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H](N)C2)C1 253262848 IQYRUIOWGBAMLQ-WYUUTHIRSA-N 196.338 2.035 0 20 AEAD C[C@H]1CCC[C@@H](C)[C@@H]1NCCCCO 300213346 RSQJWOCWEDZRBW-GDNZZTSVSA-N 199.338 2.173 0 20 AEAD CC(C)(CN)[C@@H]1C[C@H]2CC[C@H]1C2 300941248 NTQGKLLKESRYEG-LPEHRKFASA-N 167.296 2.408 0 20 AEAD CC(C)c1nc(-c2ccco2)no1 306268697 RSIYAXWCDQXXOK-UHFFFAOYSA-N 178.191 2.453 0 20 AEAD FCCN[C@@H]1CC2CCC1CC2 306437325 HJISIWZUZWTULY-UDNWOFFPSA-N 171.259 2.124 0 20 AEAD CS/C=C/C(=O)N1CCCCCC1 306502667 DARDSSVLGLAYNX-RMKNXTFCSA-N 199.319 2.266 0 20 AEAD CC(C)(NC(=O)C1CCC1)C1CC1 307225227 UBXNTIUCJVEFEL-UHFFFAOYSA-N 181.279 2.091 0 20 AEAD C[C@@H]1CCSCCN1CCCF 307315701 IXGAGQDVLRCVAH-SECBINFHSA-N 191.315 2.173 0 20 AEAD CC[C@H](C)N(C)c1nc(C)ns1 307717361 JLQGVDCSRXJYHF-LURJTMIESA-N 185.296 2.081 0 20 AEAD CC[C@H](F)CN1CC[C@@](C)(F)C1 307719062 MHHOXKQMKYVPKF-DTWKUNHWSA-N 177.238 2.168 0 20 AEAD Cc1noc(C23CCC(CC2)C3)n1 307754774 BGAQOTCGKFMYJB-UHFFFAOYSA-N 178.235 2.210 0 20 AEAD CC(C)CN(C)C(=O)c1ccsc1 308143273 ADIJOYJUJWPUBG-UHFFFAOYSA-N 197.303 2.476 0 20 AEAD C[C@@H](NCC(C)(C)N)c1ccsc1 308183591 DSGSZROVSJEOPS-MRVPVSSYSA-N 198.335 2.136 0 20 AEAD CS/C=C\C(=O)N[C@H](C)C1CCC1 308195170 RTRBMHNYIPGJIU-NFXKFNAJSA-N 199.319 2.168 0 20 AEAD CCC[C@@H](CC)NCCC(C)(C)N 308233747 UWNHHOPIOUYXTG-SNVBAGLBSA-N 186.343 2.282 0 20 AEAD O=C(OCCCCF)c1ccoc1 308402917 JNMMMTLYRJBFHN-UHFFFAOYSA-N 186.182 2.186 0 20 AEAD CCC[C@@H](C)NC[C@H](OC)C(C)C 308434367 VJACPFOEBYKMBR-MNOVXSKESA-N 187.327 2.436 0 20 AEAD CCN(Cc1cccn1C)C(C)C 308488646 QEINWRLCWDNUQJ-UHFFFAOYSA-N 180.295 2.255 0 20 AEAD CC(C)c1nc(-c2ccsn2)no1 334529353 YNDXFBQKFPWDLE-UHFFFAOYSA-N 195.247 2.317 0 20 AEAD CC[C@@H]1CCN(C(=O)c2ccoc2)C1 334917285 SMXYGHYYTLXGEY-SECBINFHSA-N 193.246 2.152 0 20 AEAD F[C@H]1CCC[C@H](NCc2cc[nH]c2)C1 335373052 QNMSLPMARXQXBN-QWRGUYRKSA-N 196.269 2.385 0 20 AEAD CCC1(NC(=O)[C@@H]2CC=CCC2)CC1 336303646 NFZNQFMROBJIMQ-SNVBAGLBSA-N 193.290 2.402 0 20 AEAD CC[C@@]1(C)CCCN(CC(C)(C)O)C1 336438274 OREFAHKMDCBFAV-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD FCCN(CC1CC1)CC1CC1 379327392 KLVCKEHCBFKFFH-UHFFFAOYSA-N 171.259 2.078 0 20 AEAD Cc1ccc(OCCCF)nc1 379329664 VTDDMGFNXCTKCM-UHFFFAOYSA-N 169.199 2.128 0 20 AEAD C/C=C(/C)C(=O)N(C)C[C@H](C)CC 379358664 VZVOZHHBFVOMFN-SBMLRHLQSA-N 183.295 2.457 0 20 AEAD CC[C@@H](C)[C@@H](CNCC1CCC1)OC 381309113 SQGRBIRPQFWHRN-ZYHUDNBSSA-N 199.338 2.437 0 20 AEAD C[C@H](CC(C)(C)C)N[C@H]1CCC[C@@H]1O 384447875 ILYDIXLQKDDZME-VWYCJHECSA-N 199.338 2.314 0 20 AEAD C[C@@H]1C[C@H](NC[C@H](C)C2CC2)[C@@H](C)O1 384869327 FWCLYGKAEKEQOM-XNDJQWLSSA-N 197.322 2.188 0 20 AEAD CC(C)C[C@@H]1C[C@H]1C(=O)NOC(C)C 387639318 AOTFTAGLPBFMIF-NXEZZACHSA-N 199.294 2.125 0 20 AEAD CCN(C(=O)OCC1CC1)C(C)C 388277557 JPOCZWQTPJRNDO-UHFFFAOYSA-N 185.267 2.263 0 20 AEAD CC[C@H](O)CN[C@@H](CC)[C@@H]1CC1(C)C 397782052 OOTJCONWDRMABE-DCAQKATOSA-N 199.338 2.172 0 20 AEAD CSCCN[C@H]1CC=C(C)CC1 590355881 SHWQPSXPIIZIKC-JTQLQIEISA-N 185.336 2.438 0 20 AEAD CC(C)(C)C[S@@](=O)CC1CC1 591248183 DTRQGESFEKWUBS-NSHDSACASA-N 174.309 2.191 0 20 AEAD CC[C@H](O)CN(C)[C@H](C)c1ccco1 592390193 VWPKRVYRVZCNHS-ZJUUUORDSA-N 197.278 2.043 0 20 AEAD CC[C@H](C)CN(C)CCCCOC 605150835 LZSARFWXXWANLE-NSHDSACASA-N 187.327 2.391 0 20 AEAD C[C@H]1C[C@H]1C(=O)NC1(C)CCCCC1 618308963 YJZVYJJUASEYKC-VHSXEESVSA-N 195.306 2.481 0 20 AEAD Cc1ccc(C2=CCNCC2)c(O)c1 629722893 GNSGUQZZSSPISF-UHFFFAOYSA-N 189.258 2.077 0 20 AEAD CC(C)=CCN1O[C@H]2C=C[C@H]1CC2 640231961 MWBVRJGAJYQZGK-QWRGUYRKSA-N 179.263 2.287 0 20 AEAD C[C@H]1CN(CC2CCCC2)[C@@H](C)CO1 642620350 LLOPGJHIKJYUND-QWRGUYRKSA-N 197.322 2.286 0 20 AEAD CC1=CC[C@@H](NCC(C)(C)CO)CC1 646148129 KIKVAHOWGNVCGV-LLVKDONJSA-N 197.322 2.093 0 20 AEAD CCCN(CC)[C@@H](C)c1csnn1 649260111 MYJCWWDIBUFHLZ-QMMMGPOBSA-N 199.323 2.331 0 20 AEAD C[C@H](COCC1CC1)NC[C@@H]1C[C@H]1C 651983955 ORQUVCZOJFJQID-FOGDFJRCSA-N 197.322 2.047 0 20 AEAD CC/C=C/CNC(=O)NCC1CCC1 652091181 QSNOOVOGDKXUFS-ONEGZZNKSA-N 196.294 2.052 0 20 AEAD CC/C=C\CNC(=O)NC/C=C\CC 652127191 XXRPUSGQMHFHAJ-SFECMWDFSA-N 196.294 2.218 0 20 AEAD CCNCCNC1CCC(CC)CC1 666781538 LTYHKVOEIWSQBB-UHFFFAOYSA-N 198.354 2.154 0 20 AEAD CC(C)C[C@H](CN)N[C@@H](C)CC1CC1 666799245 KWZHOEGCJVRFJL-CMPLNLGQSA-N 198.354 2.138 0 20 AEAD Cc1cnc(NC(=O)CCC(C)C)o1 673710668 AXYUJIKNTXREJQ-UHFFFAOYSA-N 196.250 2.358 0 20 AEAD CC1(CCNC(=O)C2CCCC2)CC1 684226778 XBOGAUYEQNPBEP-UHFFFAOYSA-N 195.306 2.483 0 20 AEAD COC(C)(C)[C@@H](C)N[C@@H]1C=CCC1 700601890 GQPFYONICWEWLO-NXEZZACHSA-N 183.295 2.108 0 20 AEAD C[C@H]1COC[C@@H]1NC1CCCCCC1 710879058 XDJUUBKPAAKPTE-JQWIXIFHSA-N 197.322 2.334 0 20 AEAD C1CC[C@H](C[C@@H]2CCCNCC2)OC1 718975780 LBTMCTJKWBWYER-VXGBXAGGSA-N 197.322 2.335 0 20 AEAD O=C(NCCC1CCC1)c1ccoc1 755508154 NYYHEVGZAPFVHB-UHFFFAOYSA-N 193.246 2.200 0 20 AEAD CN(CCC(=O)C1CC1)CC(C)(C)C 767371209 KZIGNUHZZNOFTI-UHFFFAOYSA-N 197.322 2.334 0 20 AEAD CCCC(=O)OC[C@H](C)CSC 835668070 ODSUSUGFKZXIEF-QMMMGPOBSA-N 190.308 2.329 0 20 AEAD O=C(C=C1CCC1)N[C@@H]1C=CCCC1 1116256167 AHBFESWGUAQXMU-LLVKDONJSA-N 191.274 2.322 0 20 AEAD CC1(NC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)CC1 1344094636 FZKCYBQUTMHLFB-LPEHRKFASA-N 193.290 2.091 0 20 AEAD CC[C@H]1CCN(CCOC2CC2)[C@@H]1C 1654219304 VQUFFZAOJYXJMU-MNOVXSKESA-N 197.322 2.286 0 20 AEAD CCN[C@@H]1CCC[C@H]1C1CC1 17977464 OIUODEWQDDKDOE-VHSXEESVSA-N 153.269 2.175 0 20 AEAD CC[C@H](C)n1nc(C)c(N)c1C 20217320 ZVRQCSVNPQQPDJ-LURJTMIESA-N 167.256 2.053 0 20 AEAD CC(=O)Nc1nccc2ccccc12 32188535 ATVDHPMOVKWWQX-UHFFFAOYSA-N 186.214 2.193 0 20 AEAD C=CC(=O)Nc1cccc2cccnc12 36334185 KUDUYVFWJIUILE-UHFFFAOYSA-N 198.225 2.359 0 20 AEAD CCOC(=O)[C@H]1CCC[C@H](C)C1 39253861 SYVFBLOILKRUNO-IUCAKERBSA-N 170.252 2.376 0 20 AEAD C[C@H]1CCCCN1CCNC(C)(C)C 42302448 BAWCNSMHBVIIOL-NSHDSACASA-N 198.354 2.249 0 20 AEAD CCCC[C@H](CC)CNC[C@H](C)O 43454757 REXJCBMOZQOZCK-QWRGUYRKSA-N 187.327 2.173 0 20 AEAD CC(C)CC[C@H](C)[C@@H](C)O 43658584 NTDKHABICKZMPG-DTWKUNHWSA-N 144.258 2.440 0 20 AEAD CCC[C@H](C)N[C@H]1CCN(C2CC2)C1 44685120 LDSHSZYVJCFXGN-QWRGUYRKSA-N 196.338 2.001 0 20 AEAD Cc1ccsc1[C@@H](C)C(=O)O 69636837 KMFYTBJSQZPFLA-ZCFIWIBFSA-N 170.233 2.245 0 20 AEAD C[C@@H]1CCC[C@@H](CNCC(C)(C)O)C1 82419190 MXGPXPFGJADOGQ-GHMZBOCLSA-N 199.338 2.173 0 20 AEAD Cc1cc([C@H]2COC(=O)N2)c(C)s1 83965981 HIZOLDVXLSPUPL-MRVPVSSYSA-N 197.259 2.146 0 20 AEAD CC[C@](C)(CN)[C@H](O)CC(C)(C)C 85919939 LVILJZFTERXBMK-MWLCHTKSSA-N 187.327 2.159 0 20 AEAD CC(C)N1[C@H]2CCC[C@H]1CC(C)(O)C2 100086380 UQSIPZZJOCAWPK-QWRGUYRKSA-N 197.322 2.163 0 20 AEAD CCCCCN[C@@H](C)c1ncc[nH]1 124735470 TZBRXEUSILHTMS-VIFPVBQESA-N 181.283 2.251 0 20 AEAD Nc1csc2cccc(O)c12 126057499 PYUYSRFYULEPDB-UHFFFAOYSA-N 165.217 2.189 0 20 AEAD CC[C@@H](NC1CCCC1)[C@@H]1CCCO1 131514392 MJNFQRCKDUSTRA-NEPJUHHUSA-N 197.322 2.476 0 20 AEAD C=Cc1ccc(C(=O)N(C)C)cc1 147017546 NULTZDKVDSTIEU-UHFFFAOYSA-N 175.231 2.031 0 20 AEAD CC[C@@H](NCC(F)F)C1CC1 147314991 CJTLVJAXJXPFGF-SSDOTTSWSA-N 163.211 2.030 0 20 AEAD CC[C@H](C)CN1CCC(COC)CC1 147806215 PGJYRNNGHJIPOG-NSHDSACASA-N 199.338 2.391 0 20 AEAD COc1cccc([C@@H]2C[C@@H](F)CN2)c1 219852629 FITICTZUDJSPSF-KOLCDFICSA-N 195.237 2.068 0 20 AEAD 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195.306 2.147 0 20 AEAD CCC[C@H](C)N(C)CC1=CCCOC1 678140644 KNVYJFQCHMPUEK-NSHDSACASA-N 197.322 2.454 0 20 AEAD CCCN(C)C[C@@H]1CCC(C)(C)O1 681401740 VATZNNVWLBNDSR-JTQLQIEISA-N 185.311 2.286 0 20 AEAD C[C@H]1CC[C@@H]1NCCCC(F)F 688711758 HQDQQQJLOAZAEO-YUMQZZPRSA-N 177.238 2.420 0 20 AEAD CCC(CC)CN[C@H]1COC[C@H]1CC 711075747 QUVGAGLIPBOUOD-NEPJUHHUSA-N 199.338 2.437 0 20 AEAD CC(C)OCCOC(=O)C=C1CCC1 756234473 KGZDZGCBRWBDFI-UHFFFAOYSA-N 198.262 2.065 0 20 AEAD CC[C@H]1CCN(C[C@H]2CCC=CO2)C1 774912770 NSJFQWQATTWFGG-NWDGAFQWSA-N 195.306 2.411 0 20 AEAD C=C=CCNC(=O)[C@@H]1CCC[C@H](C)C1 816700073 NBTZVVWZRWPKFN-WDEREUQCSA-N 193.290 2.270 0 20 AEAD CC1CC(COC(=O)[C@H]2C[C@@H]2C)C1 851462850 ZAVFRAHXYSGNTI-LRHRNSLUSA-N 182.263 2.232 0 20 AEAD C[C@H]1CC[C@H](Nc2cnc(F)cn2)C1 853509135 QMSGEZNNXJQIGE-YUMQZZPRSA-N 195.241 2.216 0 20 AEAD C/C(=C/C(=O)N[C@@H]1C=CCC1)C1CC1 855425457 SIAPQYOJYLWRFC-TYBABMIJSA-N 191.274 2.178 0 20 AEAD CO[C@H](C)[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]21 897960013 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20 AEAD CCC[C@H](N)c1cccc(N)c1 104577939 BTXXYJHEJAUVDS-JTQLQIEISA-N 164.252 2.069 0 20 AEAD CCCCSc1nc(C)cc(N)n1 106019072 HGFZLBDMVPHLHC-UHFFFAOYSA-N 197.307 2.259 0 20 AEAD CCN(C)C(=O)N[C@H]1CCC(C)(C)C1 122416565 WYZMXXDWZURJHP-VIFPVBQESA-N 198.310 2.226 0 20 AEAD CCCCNC(=O)N(C)CC1CCC1 123207358 ZJQQBCCBRBTAKG-UHFFFAOYSA-N 198.310 2.228 0 20 AEAD Cc1nnc(NCc2ccsc2)o1 126921153 OCSPITOCTZNGKR-UHFFFAOYSA-N 195.247 2.052 0 20 AEAD CC[C@@H](C)CN[C@H]1CC[C@@H](CO)CC1 129068740 LNUATDWVGWSSOS-IJLUTSLNSA-N 199.338 2.173 0 20 AEAD CC[C@@H](SCCC1CC1)C(=O)O 162303595 CLQAIHDINFVPTH-MRVPVSSYSA-N 188.292 2.383 0 20 AEAD CN(CC[C@H]1CCCNC1)C(C)(C)C 219725862 JXUOSSKKUVGCCM-LLVKDONJSA-N 198.354 2.106 0 20 AEAD CC1(C)C[C@@H]1CNCc1ccncc1 226256856 KHNWCRHULKOMBL-LLVKDONJSA-N 190.290 2.217 0 20 AEAD OCCCCCCN1CCCCCC1 226834343 DXMUJQCWCCVKEN-UHFFFAOYSA-N 199.338 2.415 0 20 AEAD Cc1cccc2occ(C(=O)O)c12 238459969 HDXHHAOWBYGNKV-UHFFFAOYSA-N 176.171 2.439 0 20 AEAD CC(C)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 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LYWCDHRQFBFSHN-UHFFFAOYSA-N 190.290 2.232 0 20 AEAD CC[C@@H]1C[C@@H](C)CN1C(=O)C1CCC1 608611824 PYIGKTHAFXPQFQ-MWLCHTKSSA-N 195.306 2.434 0 20 AEAD CC[C@@H](C)CCNC(=O)CC1CC1 617633508 CXELUGDPDCKSSD-SECBINFHSA-N 183.295 2.339 0 20 AEAD CC(C)[C@H](C)NC(=O)N[C@H]1CC1(C)C 618513060 GTSOHQQAIKDNLM-IUCAKERBSA-N 198.310 2.129 0 20 AEAD Cc1cc(CN2CCCC2)sn1 637830628 BMAPCUYNANSWIY-UHFFFAOYSA-N 182.292 2.047 0 20 AEAD CO[C@@H](CNCC1CC(C)C1)C1CC1 639342110 XRYVILOSTZYVHE-CBINBANVSA-N 197.322 2.047 0 20 AEAD CCOc1ccn(CCC2CCC2)n1 641729821 LMEQXHCOMFVPFN-UHFFFAOYSA-N 194.278 2.472 0 20 AEAD C[C@H](NCCCC1(O)CCC1)C1CC1 643295460 AFOSHRZDHDWPIT-JTQLQIEISA-N 197.322 2.070 0 20 AEAD CC1(NC(=O)[C@]23CCC[C@H]2C3)CCC1 643339332 JITDRGLCTYXUAM-CABZTGNLSA-N 193.290 2.235 0 20 AEAD CC[C@H](C)CN1CC[C@](C)(COC)C1 647908001 ZWKQYVKOFOLSQL-RYUDHWBXSA-N 199.338 2.391 0 20 AEAD CCC1CN(C[C@H](C)CC)C1 651609455 PPTWKNAOZUGHLT-SECBINFHSA-N 155.285 2.374 0 20 AEAD CO[C@H](C)CN(C)c1ccccc1C 653466030 WBNAQFMDJYCMEJ-LLVKDONJSA-N 193.290 2.466 0 20 AEAD c1csc(-c2cn(C3CC3)nn2)c1 656456031 WLPVNMPAKGMDIT-UHFFFAOYSA-N 191.259 2.342 0 20 AEAD CC(C)=CCCN[C@@H](CO)C(C)(C)C 660417953 HIMBSIMGHQXSCV-NSHDSACASA-N 199.338 2.339 0 20 AEAD CN(CCCCCO)CC1CC=CC1 660437715 NTDBOAHBLYCYKG-UHFFFAOYSA-N 197.322 2.047 0 20 AEAD CC[C@@H]1CCCC[C@H]1N[C@H](C)CNC 665297979 PTRFZQQEDDDBDP-IJLUTSLNSA-N 198.354 2.153 0 20 AEAD C[C@@H](CN(CCO)C1CC1)C(C)(C)C 670262257 PSAFIVBSMMVYCP-JTQLQIEISA-N 199.338 2.125 0 20 AEAD C[C@H]1CC[C@H](CN2C[C@H](C)C[C@@H]2C)O1 682760078 NURDDABWDZIXMJ-NOOOWODRSA-N 197.322 2.284 0 20 AEAD CC[C@@H]1COC[C@H]1N[C@@H]1CC=CCC1 699474023 UCQVWVDVOIWEEO-IJLUTSLNSA-N 195.306 2.110 0 20 AEAD Cc1nc(CN[C@@H]2C=CCC2)cs1 700602218 HQQKPFHKGJFRPI-SECBINFHSA-N 194.303 2.260 0 20 AEAD CC/C=C/CCn1nnnc1C(C)C 767102232 ZGPGGVGZVCJAGY-AATRIKPKSA-N 194.282 2.153 0 20 AEAD C[C@@H](CN)N[C@H](C)[C@H]1CCCC[C@H]1C 817970397 UPPYJCFYDMNUJP-KXNHARMFSA-N 198.354 2.138 0 20 AEAD O=C(CCCF)OCC1CCC1 850193705 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Cc1cc(C)cc(-c2cc(N)ncn2)c1 84026237 FPPCVRQWJPJYEA-UHFFFAOYSA-N 199.257 2.343 0 20 AEAD Cc1nc(C[C@@H]2CCC[C@H]2O)cs1 84274605 TVUYAANSQAVECQ-WCBMZHEXSA-N 197.303 2.155 0 20 AEAD C[C@H](N[C@@H](C)[C@H](C)O)c1ccccc1 87129990 BBKTUNMTNFVDCA-DCAQKATOSA-N 193.290 2.107 0 20 AEAD O=C(O)CC[C@H]1CCCC1(F)F 108291796 BFXWGCSKHRCFOI-ZCFIWIBFSA-N 178.178 2.287 0 20 AEAD C[C@H](NCC(F)F)C1CCC1 124043136 SGNLUXZXUFOZIU-LURJTMIESA-N 163.211 2.030 0 20 AEAD C[C@@H](CCO)NC[C@@H]1CCC[C@@H](C)C1 124044214 UXFQIGGVDDFWJV-GRYCIOLGSA-N 199.338 2.173 0 20 AEAD CC(C)(C)NC(=O)NC1(C)CCCC1 130815578 CSVMFDVLWKSVJJ-UHFFFAOYSA-N 198.310 2.417 0 20 AEAD CCCCNC(=O)NC(CC)CC 135735033 IFEKIFQBZFVRMV-UHFFFAOYSA-N 186.299 2.274 0 20 AEAD CC(C)Cc1nnc(S)n1C1CC1 135998328 LIZAPNAUFYIOLP-UHFFFAOYSA-N 197.307 2.100 0 20 AEAD Cc1cnccc1NCCOC(C)C 159260354 MBPRBQCMQKKIKC-UHFFFAOYSA-N 194.278 2.227 0 20 AEAD C[C@@]1(NCc2cccs2)CCOC1 160191935 PBGMALWXXVXJMQ-SNVBAGLBSA-N 197.303 2.017 0 20 AEAD C[C@H]1C[C@H]1CNCc1ccc(O)cc1 163430328 UAVLJPWSBAGFCO-ONGXEEELSA-N 191.274 2.138 0 20 AEAD COC1CCC(NC[C@H]2C[C@@H]2C)CC1 164381534 MAOAWEIOFVYXGA-DMOGRIERSA-N 197.322 2.190 0 20 AEAD C[C@H](O)C[C@@H](C)NCCC(C)(C)C 164627097 IDOBZTJPKMBRST-ZJUUUORDSA-N 187.327 2.172 0 20 AEAD CO[C@H]1CCC[C@H](NCC2(C)CC2)C1 226385784 LBNUWQCEZGBEBU-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD CCc1ccc(CNC(=O)OC)s1 226719402 RRCYSUKQECCZOV-UHFFFAOYSA-N 199.275 2.167 0 20 AEAD CCC(=O)NCC(C(C)C)C(C)C 229604956 XQTNPOJBZOYJKM-UHFFFAOYSA-N 185.311 2.441 0 20 AEAD CC[C@@H](O)CNCC1CCCCCC1 229965874 NGODFROXROTHEB-GFCCVEGCSA-N 199.338 2.317 0 20 AEAD CCC[C@H](C)N[C@H]1CC[C@@H](C(=O)O)C1 230931106 SCNAXNINYSVILS-AEJSXWLSSA-N 199.294 2.018 0 20 AEAD CC[C@H](O)COc1cccc(C)c1F 230933511 MFTZVMKQAADYCY-VIFPVBQESA-N 198.237 2.284 0 20 AEAD CC(C)c1nc2n(n1)[C@@H](C)C[C@H](C)N2 232806724 HGNFCGGNZBRBCH-YUMQZZPRSA-N 194.282 2.167 0 20 AEAD CCCC[C@H](NCC1(C)CC1)C(=O)O 232987738 LFCSNMHLEDUUAE-VIFPVBQESA-N 199.294 2.020 0 20 AEAD CC[C@@H](C)CNC/C=C/Cl 233823895 PNLQYHNEXVEUJI-WTSVBCDHSA-N 161.676 2.375 0 20 AEAD CC[C@@H](O)CNCC1(C)CCCCC1 233898054 BPHWKKLHRRPCIP-LLVKDONJSA-N 199.338 2.317 0 20 AEAD CCc1cnn2c1N[C@H](C)C[C@@H]2C 234140762 QXBZEHZGNZJFIW-SFYZADRCSA-N 179.267 2.211 0 20 AEAD CO[C@H](C)[C@H](C)Nc1ccc(F)nc1 234773361 YRPRLYQUQNUSPC-JGVFFNPUSA-N 198.241 2.056 0 20 AEAD NCC[C@@H]1C[C@H]2CCCC[C@H]12 250830776 IZJCMJZLJUOQKE-BBBLOLIVSA-N 153.269 2.162 0 20 AEAD C[C@H]1CC(N[C@H]2CCOC2)C[C@H](C)C1 252133859 MHPOSQPVVUWSDZ-MXWKQRLJSA-N 197.322 2.190 0 20 AEAD NCc1cc2c(O)cccc2s1 257989576 WBGZCGDKQQBZCX-UHFFFAOYSA-N 179.244 2.066 0 20 AEAD CN(CCC1CCCC1)CC(C)(C)N 258867960 OYSXMSRIPPZQRM-UHFFFAOYSA-N 198.354 2.236 0 20 AEAD CC(C)C[C@@H](C)CNCC(C)(C)O 301006875 YAHZUTNHSSFSBR-SNVBAGLBSA-N 187.327 2.029 0 20 AEAD C[C@H](N[C@H]1CCOC1(C)C)C1CCC1 306216620 CFNGTRFUWYZRNT-ONGXEEELSA-N 197.322 2.332 0 20 AEAD CC(C)=CCN1CCO[C@@H](C)[C@H]1C 306395848 GVVDRDFCYHWGQD-MNOVXSKESA-N 183.295 2.062 0 20 AEAD CO[C@@H](C)c1nc(C(C)(C)C)no1 306616664 PAWOSEIZVOHYNO-LURJTMIESA-N 184.239 2.075 0 20 AEAD C/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]1C 306657762 IDKSYUISJPXEOR-YXCTTXFESA-N 181.279 2.257 0 20 AEAD Cc1cc(CN[C@@H]2CC[C@@H]2C)ccn1 306718333 IQZRJNDJOIGRLG-JOYOIKCWSA-N 190.290 2.278 0 20 AEAD CC(C)NC(=O)[C@H]1C[C@]1(C)C(C)C 307751909 PRPUHMLKJPXDIT-MWLCHTKSSA-N 183.295 2.193 0 20 AEAD CC[C@@H](C)CSCc1cnn(C)n1 308310270 QVMOBYAGUFDFHK-MRVPVSSYSA-N 199.323 2.094 0 20 AEAD CO[C@@H](C)[C@@H](C)N[C@H]1C[C@H]2CC[C@H]1C2 308588517 JIINQJGACRRJIG-DGORSVRFSA-N 197.322 2.188 0 20 AEAD CC[C@@H]1CC[C@H]1NC1(CO)CCCC1 308764587 ZSEKGMOLMVFSEE-GHMZBOCLSA-N 197.322 2.070 0 20 AEAD CC[C@@H](C)N1CCC[C@H](N(C)C)CC1 334440909 YMJBZMBAUVAJLE-NEPJUHHUSA-N 198.354 2.201 0 20 AEAD Cc1cc(C(=O)NC2CC(C)C2)co1 334707550 ISIYYCSSRIILDO-UHFFFAOYSA-N 193.246 2.116 0 20 AEAD CC(C)[C@@H](C)C(=O)N1CCCCCO1 334839479 YEOLOUVBOAVLPR-SNVBAGLBSA-N 199.294 2.223 0 20 AEAD CC(C)C1(C)CCN(CC(=N)O)CC1 335683558 WLMXKNDPEOGKRH-UHFFFAOYSA-N 198.310 2.280 0 20 AEAD C[C@H]1CC[C@H](C)N1C(=O)c1cc[nH]c1 335827028 CYHWMDNHWZATGR-IUCAKERBSA-N 192.262 2.028 0 20 AEAD CC[C@H](C)N(C)C(=O)c1coc(C)c1 335877250 JOSNJUHCNYHTAO-QMMMGPOBSA-N 195.262 2.459 0 20 AEAD Cc1cnc(CN2C[C@@H](C)C[C@H]2C)o1 336486098 MQSVKCJFDNMRFY-DTWKUNHWSA-N 194.278 2.213 0 20 AEAD Fc1cccnc1N1CCC[C@@H](F)C1 336580129 CAMIKJGJMDGOFB-MRVPVSSYSA-N 198.216 2.159 0 20 AEAD C[C@@H](CCN)NC[C@@H]1CCC[C@@H](C)C1 383193434 XEFOCCDVGIYYQT-GRYCIOLGSA-N 198.354 2.140 0 20 AEAD CCCCC(=O)O[C@@H]1CCSC1 388479827 TXNBMZGEVVAWPB-MRVPVSSYSA-N 188.292 2.225 0 20 AEAD CC(C)CN(C)CCC(=O)C(C)C 388609597 XJBSRVBYGYZDAF-UHFFFAOYSA-N 185.311 2.189 0 20 AEAD CC/C=C\CN[C@@H]1CCOC1(C)C 395352427 JHSACEVZKHBTIX-WWQCOOJYSA-N 183.295 2.110 0 20 AEAD CC[C@@H](CO)N[C@H](CC)[C@H]1CC1(C)C 397672305 FMQFXVUKEDTCJZ-HBNTYKKESA-N 199.338 2.172 0 20 AEAD CC(C)c1nc([C@H]2CC[C@H](C)O2)no1 528244240 JVNMVWHSLGXGBK-JGVFFNPUSA-N 196.250 2.433 0 20 AEAD C[C@H]1CC(=O)c2c(C(=O)O)cccc21 536960162 NQFFOPKXBJZDIQ-LURJTMIESA-N 190.198 2.075 0 20 AEAD C[C@@H](c1ccncc1)N1CC[C@@H](C)C1 600636468 ZAHQSWOESBMIDO-MNOVXSKESA-N 190.290 2.484 0 20 AEAD CSCCCN1CCC[C@@H](C)C1 610211490 OQXNPFMVHLPKRA-SNVBAGLBSA-N 187.352 2.471 0 20 AEAD O=C(CC1CC1)NC[C@H]1CC=CCC1 620467789 UATFNHXDJDCGAB-NSHDSACASA-N 193.290 2.259 0 20 AEAD CCC[C@@H](C)N(C)Cc1cnn(C)c1 624188720 WPVNOZSAUGSELP-SNVBAGLBSA-N 195.310 2.041 0 20 AEAD CCC[C@H](CCO)NCC(C)(C)C 631195782 CHIWMLGRMDIKCX-SNVBAGLBSA-N 187.327 2.173 0 20 AEAD CCC[C@H](CN1CC[C@@H]2C[C@@H]2C1)OC 639324629 KPZFRFHIUHMUAS-IJLUTSLNSA-N 197.322 2.143 0 20 AEAD CCN(CC(C)=O)[C@H]1CCCC[C@@H]1C 639601971 WCAZNRDTFJNICR-JQWIXIFHSA-N 197.322 2.476 0 20 AEAD Cc1cc([C@H](C)NC[C@@H](C)N)cs1 643529698 NQIBKUBCKPXEMX-APPZFPTMSA-N 198.335 2.054 0 20 AEAD CCC(CC)NC(=O)c1cc(F)c[nH]1 645027493 WVSZWGCMWJJCPI-UHFFFAOYSA-N 198.241 2.072 0 20 AEAD CCC1(N[C@H](C)C2CC2)CC1 649760881 ALLUXKWASYFHCK-MRVPVSSYSA-N 153.269 2.317 0 20 AEAD CCCN(CCn1cccn1)C(C)C 653797584 GCDBPLVPVYKVLN-UHFFFAOYSA-N 195.310 2.004 0 20 AEAD CC(C)=CCN1CCC[C@@H]2COC[C@@H]21 657215725 YOPITOOUDAOXBG-NEPJUHHUSA-N 195.306 2.063 0 20 AEAD CC(C)CN[C@@H]1CCN(C(C)(C)C)C1 657562725 OJEBLLLPZZBWME-LLVKDONJSA-N 198.354 2.105 0 20 AEAD CC(C)CN(C1CC1)C1(CO)CCC1 660774720 RLBMXGQXBSUIRK-UHFFFAOYSA-N 197.322 2.022 0 20 AEAD CO[C@@H](C)c1nc(C)c(C)s1 663218807 IAVLWMSAGYYNMZ-LURJTMIESA-N 171.265 2.467 0 20 AEAD CC(C)[C@@H](N)CN[C@@H]1CCCC1(C)C 666741385 FIEUXVVBOOUOGJ-WDEREUQCSA-N 198.354 2.138 0 20 AEAD C[C@@H]1C[C@@H](NCCC(C)(C)C)CCN1 666874212 DZUIHWWHXJVWLV-MNOVXSKESA-N 198.354 2.153 0 20 AEAD CO[C@@]1(C)CCCN(CC=C(C)C)C1 684208412 WUHHORUCKAMESP-LBPRGKRZSA-N 197.322 2.454 0 20 AEAD C[C@@H]1CC[C@H](C(=O)N[C@@H]2C=CCC2)C1 855429793 OYTHWRGDOVXEEY-OUAUKWLOSA-N 193.290 2.257 0 20 AEAD CC(F)(F)COC(=O)c1ccoc1 861227552 APFSNISHCXTNOR-UHFFFAOYSA-N 190.145 2.092 0 20 AEAD CCCC(=O)c1cn(C(C)(C)C)nn1 864628314 RNDHOJOIPGGYQB-UHFFFAOYSA-N 195.266 2.016 0 20 AEAD C/C(=C(/F)C(=O)N1CC[C@@H]1C)C1CC1 914165899 RAUPRTPQFPSXPN-SGXDDJEGSA-N 197.253 2.261 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AEAD NCCCCc1ccc(F)cc1F 71499652 PTQRWMSMYKDSTP-UHFFFAOYSA-N 185.217 2.246 0 20 AEAD C[C@@H]1CNC[C@H]1c1cccc(F)c1 77267708 TXHDANPBUSSMQY-LDYMZIIASA-N 179.238 2.149 0 20 AEAD Cc1cccc2c1SCCC(=O)N2 78237909 QWTWMGYYZIUSFX-UHFFFAOYSA-N 193.271 2.429 0 20 AEAD CC(=O)c1cc(C(F)(F)F)c[nH]1 82398564 MIEWYJPREULWIO-UHFFFAOYSA-N 177.125 2.236 0 20 AEAD CCN[C@H]1C[C@@H](OCC)C12CCCC2 82945565 KNOPHFNYMLVWQO-WDEREUQCSA-N 197.322 2.334 0 20 AEAD CCCCCNCc1cncn1CC 85182956 QVHJXVXODHXKJU-UHFFFAOYSA-N 195.310 2.183 0 20 AEAD CCN[C@@](C)(CC)C(F)(F)F 85277203 WCSMSOXZKYAWIC-LURJTMIESA-N 169.190 2.327 0 20 AEAD CCC(=O)N[C@@H]1CCCC1(C)C 86831857 IKQISZBHGIDPSY-MRVPVSSYSA-N 169.268 2.091 0 20 AEAD CCCC(=O)Nc1ccc(C)nc1C 87152536 PBHINJXUUABIRQ-UHFFFAOYSA-N 192.262 2.437 0 20 AEAD C[C@H]1OCC[C@H]1Nc1ccccc1 96033605 SRBPKQGIICTEHB-MWLCHTKSSA-N 177.247 2.276 0 20 AEAD Clc1ccn2c(Cl)nnc2c1 104470172 LFLCRHNYRNXOSU-UHFFFAOYSA-N 188.017 2.036 0 20 AEAD CCNC1(c2ccccc2)CC1 113899412 NQAWJWPLZMOTRQ-UHFFFAOYSA-N 161.248 2.285 0 20 AEAD CN(C(=O)C(C)(C)C)C1CCC1 126342802 BAPHTHAMCNTJNA-UHFFFAOYSA-N 169.268 2.043 0 20 AEAD C[C@@H](CC(=O)O)N[C@H]1CCC(C)(C)C1 128977278 PIDCNEBPFMIYAV-IUCAKERBSA-N 199.294 2.018 0 20 AEAD CO[C@H](C)[C@H](C)NC1CCCCC1 132063414 PIQLHRPQYGUDQE-VHSXEESVSA-N 185.311 2.332 0 20 AEAD Cc1cc(NCc2cncs2)no1 134425032 URZMZYPOEMYCRU-UHFFFAOYSA-N 195.247 2.052 0 20 AEAD CCCCNC(=O)N[C@H](C)CCC 135736196 DAMVEDOZHSWNOZ-SECBINFHSA-N 186.299 2.274 0 20 AEAD CC(=O)OCc1cc(C)cc(C)c1 137703061 OWPUBPCQWJIARX-UHFFFAOYSA-N 178.231 2.367 0 20 AEAD COc1cc(COC(C)=O)ccc1C 146778857 YHTJGJAFOHWATC-UHFFFAOYSA-N 194.230 2.067 0 20 AEAD CC[C@@H](CCO)N[C@@H](CC)C(C)C 156793207 CDTPTNFOUDTWHI-QWRGUYRKSA-N 187.327 2.172 0 20 AEAD CC[C@H](CCO)CN[C@@H](C)CC1CC1 157195451 SXGYRRMRRSLIFN-WDEREUQCSA-N 199.338 2.173 0 20 AEAD C[C@]1(O)CCCN(CC2CCCC2)C1 161002996 XZHRLAFRWDILHJ-LBPRGKRZSA-N 197.322 2.023 0 20 AEAD CCCC[C@H](SCC)C(=O)OC 161998247 JWGMKAKHKBOAFA-QMMMGPOBSA-N 190.308 2.471 0 20 AEAD CC[C@@H](C)CNCc1ccnn1CC 164842662 MEYKDMFRVQTIPV-SNVBAGLBSA-N 195.310 2.039 0 20 AEAD CC(C)CCCNC[C@@H](C)CCO 165268466 XQFLGOAYTSQSCT-NSHDSACASA-N 187.327 2.031 0 20 AEAD CNc1ccccc1CNC(C)C 196271624 KIWKKFHHOVAFCL-UHFFFAOYSA-N 178.279 2.226 0 20 AEAD Fc1cc(NC2CCC2)ccn1 227643369 AAOFVLDXAZVSOW-UHFFFAOYSA-N 166.199 2.185 0 20 AEAD CO[C@H]1C[C@H](NC2CCCC2)C1(C)C 227828445 KMYLUGPEBFLISF-QWRGUYRKSA-N 197.322 2.332 0 20 AEAD CC[C@H](C)[C@H](C)NCC[C@@H]1CCOC1 230408501 UTMREFPCWOKWLP-SDDRHHMPSA-N 199.338 2.437 0 20 AEAD CSC1(CNCC2CCC2)CC1 235227215 LYUHHGCKLXJCNG-UHFFFAOYSA-N 185.336 2.272 0 20 AEAD CC[C@H](O)CN(C)[C@H]1CCCC[C@H]1C 251071751 JVYBWAZAFXIVLE-WOPDTQHZSA-N 199.338 2.268 0 20 AEAD CC[C@@H](CO)N[C@@H]1[C@@H](C)CCC[C@H]1C 251115361 VDKRJGOGZFQAIJ-WHOHXGKFSA-N 199.338 2.172 0 20 AEAD CC(C)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 253089749 HDCVAOJAGLCCOF-QJPTWQEYSA-N 197.322 2.020 0 20 AEAD C[C@@H]1C[C@H]1CN1C2CCC1CC2 306540664 WNQBRWILAZHBPO-MFQSTILNSA-N 165.280 2.269 0 20 AEAD Cc1nc(SCC(F)F)[nH]c1C 306588900 NYDGFKBBCAIKCX-UHFFFAOYSA-N 192.234 2.384 0 20 AEAD C[C@H]1CC[C@H]1NCc1ccc(O)cc1 306662503 PSRMMOFAKYGRPH-JOYOIKCWSA-N 191.274 2.280 0 20 AEAD C[C@H]1CC[C@H](CN2CCCCC2)O1 306709850 SGQCJGVJOIMVCL-WDEREUQCSA-N 183.295 2.040 0 20 AEAD C[C@@H]1CN(C[C@H]2C[C@H]2C)CCS1 307332382 ABHBXLKYEUKFAL-OPRDCNLKSA-N 185.336 2.080 0 20 AEAD C[C@@H]1CCC[C@@]2(CC[C@H](CO)O2)C1 307542774 ZXFLJLNHGTTYKA-GMTAPVOTSA-N 184.279 2.107 0 20 AEAD C[C@H]1CSC[C@H]1Nc1ccccn1 307562987 LZICPTHGFBBEFZ-DTWKUNHWSA-N 194.303 2.245 0 20 AEAD CCOCSc1ccccn1 307732649 QDGLKKJEDGHERF-UHFFFAOYSA-N 169.249 2.168 0 20 AEAD C[C@@H](CF)NC[C@H]1C[C@H]2C=C[C@H]1C2 308252320 IHEMLXGMNSKTIA-XWLWVQCSSA-N 183.270 2.146 0 20 AEAD c1coc(CSCc2cc[nH]n2)c1 308280699 XSDREYYEJKXLQR-UHFFFAOYSA-N 194.259 2.436 0 20 AEAD COCCSc1cc(C)cc(C)n1 308360175 LYPCBQKOVQDMIF-UHFFFAOYSA-N 197.303 2.437 0 20 AEAD C/C=C/C[C@H](CO)N[C@@H](C)CCC 308388641 YMTMQXBRVSHRRR-XDFYEUQUSA-N 185.311 2.092 0 20 AEAD COCCN[C@H](C)CCC=C(C)C 308464209 IMBLPJPBNMKXFL-LLVKDONJSA-N 185.311 2.357 0 20 AEAD CC[C@@H](C)CNC[C@](C)(OC)C1CC1 308552738 YDYZQIVCBWBRNP-PWSUYJOCSA-N 199.338 2.437 0 20 AEAD CCC(CC)CN[C@@H](CO)CC1CC1 308612475 QZMQXUGOANGYBO-GFCCVEGCSA-N 199.338 2.173 0 20 AEAD C[C@H](NC[C@H]1C[C@H]1C)[C@H]1CCCOC1 308651307 KQKTYHRCUSIOJG-NOOOWODRSA-N 197.322 2.047 0 20 AEAD COCCN[C@@]1(C)CCCC[C@@H]1C 308727577 YXNBWOLYYCIFDK-QWRGUYRKSA-N 185.311 2.191 0 20 AEAD CC[C@H](NC[C@H](C)COC)[C@H]1C[C@@H]1C 321480888 JAMJMPREDASZOC-BJDJZHNGSA-N 199.338 2.293 0 20 AEAD CC[C@@](C)(CNC/C=C\Cl)OC 322653946 AVYKQJXYGZNTGO-UDIARPCQSA-N 191.702 2.144 0 20 AEAD COC[C@@H](C)N[C@H](C1CCC1)C1CC1 324680709 NRPGREDGMMEYII-BXKDBHETSA-N 197.322 2.190 0 20 AEAD CC(C)=CCn1cnc(C2CC2)n1 334966623 YILACFNXMKQMSB-UHFFFAOYSA-N 177.251 2.122 0 20 AEAD Cc1cc(CN2C[C@H](C)C[C@H]2C)no1 335295103 NUYGGYDOSRGEMC-RKDXNWHRSA-N 194.278 2.213 0 20 AEAD Cc1ccoc1C(=O)NCC1(C)CC1 336069522 UNCSGPFIXWDZSI-UHFFFAOYSA-N 193.246 2.118 0 20 AEAD C[C@@H]1CSC[C@@H]1NC/C=C\C1CC1 379307733 WNFVITIWPPUUGF-WUIHGDLDSA-N 197.347 2.294 0 20 AEAD OC1(CCNC2CCCCC2)CCC1 379656215 KZIHTRGDTXHCFA-UHFFFAOYSA-N 197.322 2.214 0 20 AEAD CCCCC(=O)N(CC)C1CC1 381857641 OJYWFVLWKMGQKT-UHFFFAOYSA-N 169.268 2.188 0 20 AEAD CCC[C@H](C)N[C@H]1CCn2ccnc21 382226057 JSMKIMIBVGGGTR-UWVGGRQHSA-N 193.294 2.106 0 20 AEAD CC[C@H](C)OC(=O)CCCC(C)=O 388311891 SDVGFKIDTWDFHZ-VIFPVBQESA-N 186.251 2.087 0 20 AEAD CCCn1cc(NC[C@H]2C[C@@H]2C)cn1 389225859 QDCQPFOIXRWXCU-VHSXEESVSA-N 193.294 2.361 0 20 AEAD CCCCCCONC(=N)CC 393349020 PQPMJJHZNMJPPB-UHFFFAOYSA-N 172.272 2.475 0 20 AEAD C[C@@H]1CC[C@H]1NC/C=C/C1CC1 393910068 RZJMOLUHLGGBRD-ONKIFHLLSA-N 165.280 2.341 0 20 AEAD CC(C)[C@@H](CCO)NCCCC1CC1 394483960 AQNBWYIMLSVBLR-GFCCVEGCSA-N 199.338 2.173 0 20 AEAD CCCC[C@@H](C)NCCC1(CO)CC1 395960076 WVDTYMSLCMFWPN-LLVKDONJSA-N 199.338 2.317 0 20 AEAD CC(C)c1[nH]nc(C2CCC2)c1CN 409440971 OVDJXXJUVILQAD-UHFFFAOYSA-N 193.294 2.259 0 20 AEAD C[C@@H]1CCN1C(=O)c1ccc(F)cc1 606266261 LIWNRWLCHBIQDR-MRVPVSSYSA-N 193.221 2.060 0 20 AEAD CC[C@H](C)N(C)C(=O)N[C@H](C)C1CC1 616015600 LAXNMRKWAJDNPG-DTWKUNHWSA-N 198.310 2.225 0 20 AEAD CCC(C)(C)NCc1ccc(O)nc1 631059072 PQTLFHAVNIMUKH-UHFFFAOYSA-N 194.278 2.065 0 20 AEAD CC(C)CC[C@@H]1CCC[C@H]1NCCN 643078782 GJVRLJVJOVXEFP-NWDGAFQWSA-N 198.354 2.140 0 20 AEAD C[C@H](O)CCN1C2CCCC1CCC2 649323874 ZGVVFHFGXUXUJM-UNXYVOJBSA-N 197.322 2.164 0 20 AEAD c1cc(OCC2CC2)c2nccn2c1 655684387 QYPYIYMCEOCQFC-UHFFFAOYSA-N 188.230 2.123 0 20 AEAD C/C=C/c1cn(CCCCF)nn1 656458025 XGOXNXJUDHLINS-GORDUTHDSA-N 183.230 2.061 0 20 AEAD CCCC[C@H](C)N[C@@H]1C[C@]1(C)OC 658334570 NEOLHMJHOMBGKQ-AXFHLTTASA-N 185.311 2.332 0 20 AEAD O=C(CCCF)Nc1ccsc1 668858662 LJBYLXQKSIRLAH-UHFFFAOYSA-N 187.239 2.436 0 20 AEAD CCN1CCN(CCC(C)C)[C@@H](C)C1 671716451 BZKCBWABZRETQH-LBPRGKRZSA-N 198.354 2.059 0 20 AEAD CC(C)(C)CCN1CCC[C@]1(C)CO 680582870 NTZNOQMESGOGIT-GFCCVEGCSA-N 199.338 2.269 0 20 AEAD C[C@H]1CC[C@@H](CN2C3CCC2CC3)O1 682756630 UJSGSIXCRJMWKG-XKGSQUFQSA-N 195.306 2.181 0 20 AEAD CCOC[C@@H]1CCN(CC2(C)CC2)C1 683832329 PNVSKQPPGNFMDZ-LLVKDONJSA-N 197.322 2.145 0 20 AEAD CCC[C@@H](C)NC(=O)N1CC(C)(C)C1 683971173 LLAUKHVCCIMRTO-SECBINFHSA-N 198.310 2.226 0 20 AEAD C[C@H](NC[C@@H]1C=CCC1)[C@@H]1CCCO1 711783593 DMONZUZGUMLXEJ-TUAOUCFPSA-N 195.306 2.110 0 20 AEAD C=C/C=C\CCN[C@H](COC)C(C)C 713651721 GDVQGMWLCYXXTM-ZHRWSRJISA-N 197.322 2.379 0 20 AEAD NC1CCC(C[C@H]2CCCCO2)CC1 718975805 LIMQHHSRJLTSSK-HTAVTVPLSA-N 197.322 2.463 0 20 AEAD C[C@@H](CN)CCC(C)(F)F 719006299 VQJGYIOUYMKYMY-ZCFIWIBFSA-N 151.200 2.017 0 20 AEAD CCCN1CC[C@H](C(F)(F)F)C1 761059760 YGIHTEAKXMAPJY-ZETCQYMHSA-N 181.201 2.281 0 20 AEAD O=C(NOC1CCCC1)C1=CCCC1 775274320 VPAVJHNFEXAHLA-UHFFFAOYSA-N 195.262 2.087 0 20 AEAD CCCCN(C)C(=O)C(F)(F)CC 820714181 VFWVNDOHDJIVRB-UHFFFAOYSA-N 193.237 2.290 0 20 AEAD FCC(CF)N[C@@H]1C[C@H]2CC[C@H]1C2 824554890 OYYMIQHJDZMENX-OYNCUSHFSA-N 189.249 2.072 0 20 AEAD O=C(NCc1ccoc1)OC1CCC1 830184985 TWIHZAAVNXURFU-UHFFFAOYSA-N 195.218 2.058 0 20 AEAD COC(=O)N[C@H](C)CCC=C(C)C 836793493 XFJJLHLRDVVRGR-SECBINFHSA-N 185.267 2.477 0 20 AEAD CC(C)O[C@H]1C[C@@H](N[C@@H]2CC[C@@H]2C)C1 839148337 ZFNRTFIIQCEYHN-NNYUYHANSA-N 197.322 2.331 0 20 AEAD O=C(OC[C@@H]1C[C@@H]2C[C@@H]2C1)C1CCC1 851416257 RTZQWYHFAOXCKM-UIKWRGBMSA-N 194.274 2.376 0 20 AEAD CCCC[C@@](C)(F)C(=O)NC(C)C 854116514 LXNYZBPMLKNLBX-SNVBAGLBSA-N 189.274 2.429 0 20 AEAD CCC/C=C\C(=O)O[C@@H](CC)C(C)=O 873345541 LAKHUSZZVUIGOM-DMEOUFDRSA-N 198.262 2.254 0 20 AEAD CC1(C)CC(COC(=O)CCF)C1 892989597 UWQUZOMCSRADFZ-UHFFFAOYSA-N 188.242 2.325 0 20 AEAD C=C/C=C/CCNC(=O)C=C1CCC1 893392344 FAQSSJAGJATSHA-ONEGZZNKSA-N 191.274 2.345 0 20 AEAD Cc1ncoc1CNCCCC1CC1 894282609 ACROPRDXOOSDOD-UHFFFAOYSA-N 194.278 2.263 0 20 AEAD CCNc1ccccc1CNC1CC1 902026369 LVAZYQNQFKTXCG-UHFFFAOYSA-N 190.290 2.370 0 20 AEAD CCc1ccc(N2C[C@H]3C[C@@H]3C2)nc1 1339815817 YMKCCBJNLWGAKG-GHMZBOCLSA-N 188.274 2.100 0 20 AEAD CC(C)(C)CN[C@H]1CC[C@H](CN)CC1 1575134586 FYFHRZFFLUXRPX-XYPYZODXSA-N 198.354 2.140 0 20 AEAD CCOc1ccc2c(c1)CCN2 19948054 WSNGNNNFEIIEOG-UHFFFAOYSA-N 163.220 2.053 0 20 AEAD CC(C)NC[C@H]1CC=CCC1 20085498 QMDKBGPXYOZLFT-JTQLQIEISA-N 153.269 2.341 0 20 AEAD CC(C)(C)[C@H]1CCCC[C@H]1NCCO 20305928 KSYUJMCVQMBNBB-WDEREUQCSA-N 199.338 2.173 0 20 AEAD CC(C)CC[C@H](C)NCc1cc[nH]n1 36900131 JYCQPGKJUVDYTA-JTQLQIEISA-N 195.310 2.324 0 20 AEAD C1CCC(CNC[C@@H]2CCOC2)CC1 37259419 IRFHJOKONFVLEU-LBPRGKRZSA-N 197.322 2.193 0 20 AEAD Cn1cnc(-c2ccc(F)cc2)c1 38949775 ODHDYJCSSQFTEW-UHFFFAOYSA-N 176.194 2.226 0 20 AEAD CCC(CC)NC(=O)N[C@H](C)CC 39971627 UXUFFXWRULVUOG-MRVPVSSYSA-N 186.299 2.273 0 20 AEAD C[C@H](C1CC1)N(C)c1cccc(F)n1 40712157 RPWOZZDXCFJCAI-MRVPVSSYSA-N 194.253 2.455 0 20 AEAD CCN(CC)CCN[C@@H]1CCC[C@@H]1C 70830749 FAMCKHPUAHEUMN-NWDGAFQWSA-N 198.354 2.106 0 20 AEAD O[C@@H](CNC1CCCCCC1)C1CC1 70879928 PUNUCCSZOOVXBK-LBPRGKRZSA-N 197.322 2.070 0 20 AEAD CC[C@](C)(CO)NCCC(C)(C)C 70899208 YADILFRYIZYXLF-LLVKDONJSA-N 187.327 2.173 0 20 AEAD CCc1cc2ccc(N)cn2c1 84329644 GZZWNHQBXHFKDX-UHFFFAOYSA-N 160.220 2.084 0 20 AEAD C[C@@H](O)CCN[C@@H]1CCCCC1(C)C 86845729 ZJBFWOXQOVOLCA-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CCCCN[C@H]1CS[C@H](C)C1 86934134 PJWBMSVVAJXLSL-RKDXNWHRSA-N 173.325 2.270 0 20 AEAD CC(C)(CO)CNC1CCCCCC1 88170199 YHETXMLMKFKNIR-UHFFFAOYSA-N 199.338 2.317 0 20 AEAD Cc1cc(F)cc(Br)n1 95761947 BVBQSTGKZYMQJL-UHFFFAOYSA-N 190.015 2.292 0 20 AEAD FC(F)C1=NO[C@H]2CC(F)(F)C[C@@H]12 95831377 FLJFBIDJORGWMK-DMTCNVIQSA-N 197.131 2.052 0 20 AEAD CCCCc1cccc(CN)c1 98181012 DAFKRRVQIUUBIS-UHFFFAOYSA-N 163.264 2.488 0 20 AEAD CNCCCN1CCCC[C@H]1C(C)C 108310501 HWYCNUDTDZGWKO-LBPRGKRZSA-N 198.354 2.106 0 20 AEAD OC[C@H]1CC[C@@H](NC2CCCC2)CC1 123040316 MYBRZZPTZCVKMV-UMSPYCQHSA-N 197.322 2.070 0 20 AEAD C[C@@H]1CCC[C@@H]1NCC1=CCCOC1 124701163 XZAWGTFMQYMBGK-PWSUYJOCSA-N 195.306 2.111 0 20 AEAD Cc1ccoc1CNCC1CCC1 126727927 PWJGPXDUJCUXCZ-UHFFFAOYSA-N 179.263 2.478 0 20 AEAD C[C@H]1CCCCN1C(=O)N1CCCC1 135920806 FTIDFVAVROAHNZ-JTQLQIEISA-N 196.294 2.077 0 20 AEAD 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197.322 2.478 0 20 AEAD CN(C)c1ccc(Cl)c(C(=O)O)c1 83983976 WWIMLOPLLNXPLC-UHFFFAOYSA-N 199.637 2.104 0 20 AEAD CC[C@@H](C)CNCCOC(F)(F)F 84177985 RSVRLNXWXOWLPM-SSDOTTSWSA-N 199.216 2.159 0 20 AEAD CCCC[C@H](CC)CN1CC[C@@H](O)C1 85418318 GRPUTABUQIVIFE-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD C[C@H](NCc1ccon1)C1CCCC1 88052965 VFIWFVFEYQNKBI-VIFPVBQESA-N 194.278 2.343 0 20 AEAD C[C@@H]1CC[C@H](CNC2CCCCC2)O1 88141254 WRNNJVOAWGKUED-ZYHUDNBSSA-N 197.322 2.476 0 20 AEAD C[C@@H](NCC(=O)O)C1CCCCCC1 88169223 SLJAGVWNFHOYLV-SECBINFHSA-N 199.294 2.020 0 20 AEAD Cc1cccc(N)c1OC1CC1 95727580 JANTVWRRTBXOAR-UHFFFAOYSA-N 163.220 2.118 0 20 AEAD Cc1ccc(N[C@H]2CCSC2)cn1 96033377 HLRLREOFOVSKNG-JTQLQIEISA-N 194.303 2.307 0 20 AEAD C[C@H](O)CN[C@@H]1C[C@H](C)CC(C)(C)C1 128202144 DCFQQLDFIVRPPI-GARJFASQSA-N 199.338 2.172 0 20 AEAD Cc1cc(N[C@H]2CC[C@@H](C)C2)ncn1 129603638 KYQWCMSAJNREMJ-SCZZXKLOSA-N 191.278 2.386 0 20 AEAD C[C@H]1C[C@@H](NC2CC=CC2)CS1 132537904 RBQYAUMMSKREEH-WCBMZHEXSA-N 183.320 2.189 0 20 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181.201 2.183 0 20 AEAD CC[C@H](C)[C@@H](C)N[C@H](C)[C@H](C)OC 308320725 YLWNDVDDKAECOH-ZDCRXTMVSA-N 187.327 2.434 0 20 AEAD CCCCC(=O)N1C[C@@H](C)C[C@H]1C 308490982 RDDPEPOMPLUZPH-VHSXEESVSA-N 183.295 2.434 0 20 AEAD COCC[C@H]1CCC[C@H]1NCC(C)C 308518790 NWGWHPJTVNGJLD-VXGBXAGGSA-N 199.338 2.437 0 20 AEAD CO[C@@H](CNC1CC(C)(C)C1)C(C)C 308575189 DDZKFJJPGGUXOK-NSHDSACASA-N 199.338 2.436 0 20 AEAD CC[C@H](NCCCCOC)[C@H]1C[C@H]1C 321489919 KFKHTHRSCINFBC-WOPDTQHZSA-N 199.338 2.437 0 20 AEAD O=C(N[C@H]1CCC[C@H]1F)C1CCCC1 334200875 NOEUSYAYFZIZPF-ZJUUUORDSA-N 199.269 2.183 0 20 AEAD Cc1cnccc1N1CCC[C@H](F)C1 334298661 FEWAFHQGCYQPJC-JTQLQIEISA-N 194.253 2.328 0 20 AEAD CC(C)CS[C@H]1CCOC1 334587449 NECJSIUWVVXHEZ-QMMMGPOBSA-N 160.282 2.165 0 20 AEAD c1cc(Cc2nc(C3CC3)no2)co1 334774870 SLKXUSCHKYETNO-UHFFFAOYSA-N 190.202 2.131 0 20 AEAD Cc1nccc(NC2CC(C)(F)C2)n1 334781113 WBZCSWVYOYMOSF-UHFFFAOYSA-N 195.241 2.088 0 20 AEAD C[C@H](CC(C)(C)C)NC(=O)N1CCC1 334972352 URVJVUPNOVRQBD-SECBINFHSA-N 198.310 2.226 0 20 AEAD CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C 335117926 UFRNYRZTRRJRSO-VHSXEESVSA-N 183.295 2.291 0 20 AEAD Cc1cccc(C(=O)N[C@H](C)CF)c1 335816821 KJPFERBQAOMLPT-SECBINFHSA-N 195.237 2.083 0 20 AEAD CCN1CC[C@@H]1c1ccccc1 335890489 SFMREDQEUTUZBP-LLVKDONJSA-N 161.248 2.453 0 20 AEAD CC(C)C(=O)N1CCC[C@H](C2CC2)C1 336012134 RDBWRZQYEAYMJN-NSHDSACASA-N 195.306 2.291 0 20 AEAD CSCCCOC(=O)C=C(C)C 379338733 OGITVKYUKSLXHV-UHFFFAOYSA-N 188.292 2.249 0 20 AEAD CC[C@H](NCCC1(O)CCC1)C(C)C 379576828 OYNCPVTYVMEQJY-NSHDSACASA-N 199.338 2.316 0 20 AEAD CCCC[C@@H](C)[C@@H](C)N[C@@H]1CC[C@H]1O 382157382 RMYRZNRZDWJXAL-DDHJBXDOSA-N 199.338 2.314 0 20 AEAD C[C@H]1C[C@@H](N)CN1CCCC(C)(C)C 385211324 WYPPDWFBPDZBHT-WDEREUQCSA-N 198.354 2.234 0 20 AEAD CN(CC1=CCCC1)CC(C)(C)CN 401044799 LNQCCIXSANHRFW-UHFFFAOYSA-N 196.338 2.013 0 20 AEAD C[C@H](CN[C@@H]1CO[C@H](C)C1)C(C)(C)C 401920641 ITHKMZLFIYNLEE-MXWKQRLJSA-N 199.338 2.436 0 20 AEAD NC[C@H]1[C@@H](c2cccs2)C1(F)F 409430821 HTOHEKDNGSXROF-FSPLSTOPSA-N 189.230 2.056 0 20 AEAD CSCCCN1CC[C@H](C2CC2)C1 611211279 KNLYCEKPQJJORP-NSHDSACASA-N 199.363 2.471 0 20 AEAD CC/C=C/CCN(C)C[C@H]1C[C@@H](O)C1 626046719 PFIWXRPIZHXEJT-AHWSKYQCSA-N 197.322 2.045 0 20 AEAD CCC[C@H](CNc1cnoc1C)OC 653469016 MATDCROCNKFVBE-SECBINFHSA-N 198.266 2.210 0 20 AEAD CCCN(C(=O)CC1CC1)C(C)C 654040811 WQGLCXBKDPUDBO-UHFFFAOYSA-N 183.295 2.434 0 20 AEAD CC(C)=CCCN1CC[C@H](O)[C@@H](C)C1 660329795 FLVBRKQEUBYBOX-RYUDHWBXSA-N 197.322 2.045 0 20 AEAD CC(C)CC1(NCC(F)F)CC1 662067374 XNTMXLBIFZUCHW-UHFFFAOYSA-N 177.238 2.420 0 20 AEAD C[C@@H]1C[C@@H]1CNC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 668666387 HJDVPTSOYUSCOJ-AFTWZWCASA-N 191.318 2.277 0 20 AEAD CCOCCN(CC)C[C@@H](C)CC 674008176 YDZHGVMHKAVJTJ-NSHDSACASA-N 187.327 2.391 0 20 AEAD CCCCN(Cc1cc[nH]n1)C1CC1 678138492 WPQQZZPVTNWJTD-UHFFFAOYSA-N 193.294 2.174 0 20 AEAD CCN(CCC1CC1)C(=O)CC1CC1 680629329 GAZKTNYWTHYKIC-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CC(C)OCCCN(C)C[C@@H]1C[C@@H]1C 683110963 WRCJRNAXQOTCDZ-RYUDHWBXSA-N 199.338 2.389 0 20 AEAD CC(C)CC[C@H](C)N[C@@H]1COC[C@H]1C 688025233 ZJFNALWIWWJVAL-GRYCIOLGSA-N 199.338 2.436 0 20 AEAD CC(C)[C@@H]1CCCC[C@@H]1NC(=O)O 736396875 YMXUDZXRYZSCLK-IUCAKERBSA-N 185.267 2.469 0 20 AEAD CC[C@H](C)C(=O)NOc1ccccc1 773469031 WFQNJICQOSBMHB-VIFPVBQESA-N 193.246 2.143 0 20 AEAD OCCCCCCOc1ccncc1 814265525 MEUAXKYXGXVYPF-UHFFFAOYSA-N 195.262 2.013 0 20 AEAD C[C@H]1CC[C@@]2(CCN(C(=O)O)C2)C1 833608790 DBULQZLAYAELOK-WCBMZHEXSA-N 183.251 2.177 0 20 AEAD Cc1cc([C@@H](C)N[C@H]2C=CCC2)no1 850510049 QYMJJKZNJCWAAE-ZJUUUORDSA-N 192.262 2.352 0 20 AEAD CCC(=N)NOCC1(C)CCC1 853656713 YULZETJLMZFJGL-UHFFFAOYSA-N 170.256 2.085 0 20 AEAD C[C@H]1CC[C@@H]1Nc1cnn(CCF)c1 858491217 AFTLAKYUWXWEID-WPRPVWTQSA-N 197.257 2.063 0 20 AEAD CCCOC(=O)N1CCC[C@@H]2C[C@H]21 859156262 ZMEIHZKBNYNUAN-RKDXNWHRSA-N 183.251 2.017 0 20 AEAD C=C/C=C/CCn1nc(C)nc1C 877871179 LYBXMBOBICIEQI-AATRIKPKSA-N 177.251 2.027 0 20 AEAD C=C/C=C\CCN1CC[C@@H]2C[C@H]2C1 878987297 FRLTVYDYRKOUMH-BKGLOODYSA-N 177.291 2.461 0 20 AEAD CCc1c(C)on(CC=C(C)C)c1=O 902579538 NDEFWWVFGMMRKL-UHFFFAOYSA-N 195.262 2.278 0 20 AEAD C/C(=C\C(=O)N[C@H](C)C1CC1)C1CC1 917623003 YMPLEHVVAIYQSB-FCZSHJHJSA-N 193.290 2.257 0 20 AEAD CC[C@@H]1C[C@H]1CN1CCC[C@@H](OC)C1 929502554 QGSYCMWFFDIJJW-GRYCIOLGSA-N 197.322 2.143 0 20 AEAD CC[C@@H](CO)N1C[C@@H](C)CC(C)(C)C1 1332836536 VNLFUDVVDDDLBN-QWRGUYRKSA-N 199.338 2.125 0 20 AEAD C=CC(=O)N(CC1CCC1)CC1CC1 1338389665 NFWJILWSENCYJY-UHFFFAOYSA-N 193.290 2.211 0 20 AEAD Fc1ccc(CN[C@@H]2CC[C@@H]2F)cc1 1898235223 HWOVPFDRGFWLNI-WDEREUQCSA-N 197.228 2.416 0 20 AEAD CC[C@H](C)NCc1c(C)noc1C 20252807 OEOGQGWBRCWZLQ-ZETCQYMHSA-N 182.267 2.180 0 20 AEAD COC(=O)c1cc(C)cc(Cl)c1N 37475397 SSSRJDNRESBPLW-UHFFFAOYSA-N 199.637 2.017 0 20 AEAD CC[C@@H](O)CNc1cc(C)cc(C)c1 37688571 RTAQUJXXZQGXPM-GFCCVEGCSA-N 193.290 2.486 0 20 AEAD CCN1c2ccccc2OC[C@H]1C 39236054 PEXJJMJWWQTRQQ-SECBINFHSA-N 177.247 2.294 0 20 AEAD CNC[C@H]1CCCN1CCC(C)(C)C 42390552 SECFBBPABRSZDV-LLVKDONJSA-N 198.354 2.106 0 20 AEAD CC[C@H]1CCCC[C@H]1NCCOC 42579308 ZSMXIDARPYHURZ-WDEREUQCSA-N 185.311 2.191 0 20 AEAD CCC[C@H](O)CN(CCC)CC1CC1 50193435 KWFUEERJNYLZAW-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD Cc1cc(CO)c(C)cc1Cl 70023879 SDZCMQKNIJNTGE-UHFFFAOYSA-N 170.639 2.449 0 20 AEAD CCCCCCN(C)CCCNC 80827747 OVTDCYFFEGLIEY-UHFFFAOYSA-N 186.343 2.108 0 20 AEAD Cn1c(C=O)cc2ccnc(Cl)c21 82386935 HUVRTWVUJCTUPI-UHFFFAOYSA-N 194.621 2.039 0 20 AEAD C[C@@H]1C[C@]1(N)c1ccc(F)cc1F 84343921 WFMIPDBHMZMNJM-LHLIQPBNSA-N 183.201 2.159 0 20 AEAD NC/C=C/c1cc(Cl)cs1 86334670 LXIFAUDHUZMBJB-OWOJBTEDSA-N 173.668 2.373 0 20 AEAD C[C@H](N)c1nc2c(s1)CCC2(C)C 86857590 YIAGOBLSLIRAPQ-LURJTMIESA-N 196.319 2.387 0 20 AEAD CSCc1cccc(C)n1 90557161 ZHHGHWRCUBEKBT-UHFFFAOYSA-N 153.250 2.253 0 20 AEAD COc1cccc(OC2CC2)c1 95720042 QRGWYYPZFRODKX-UHFFFAOYSA-N 164.204 2.236 0 20 AEAD Nc1ncnc(Cl)c1C1CCCC1 107141064 LGAGXMXGIGECLP-UHFFFAOYSA-N 197.669 2.370 0 20 AEAD C[C@@H]1C[C@@H]1NC(=O)NC1CCCCC1 122329795 QODUFHFFAXNKTE-SCZZXKLOSA-N 196.294 2.027 0 20 AEAD CCC[C@H](C)N[C@H]1CC[C@@H](CO)CC1 123039449 OKKKQWOLKSAJNX-SRVKXCTJSA-N 199.338 2.316 0 20 AEAD CCN(CC)C(=O)N[C@H]1CC=CCC1 124843176 VFMDVXVVTUQCTQ-JTQLQIEISA-N 196.294 2.147 0 20 AEAD CCN(C)C(=O)NC1C(C)(C)C1(C)C 127559598 NDUQABCDQCVJHN-UHFFFAOYSA-N 198.310 2.082 0 20 AEAD CC(C)Cc1nc(C(C)C)no1 144155201 UAFZXDHFTSKFAD-UHFFFAOYSA-N 168.240 2.392 0 20 AEAD CCCN(CCC)Cc1nc(C)no1 145449146 ZNLOGJCXBSRCCG-UHFFFAOYSA-N 197.282 2.000 0 20 AEAD C=CCOC(=O)/C=C(\C)CCC 148033722 LRYKJSFLMZKZCT-CMDGGOBGSA-N 168.236 2.462 0 20 AEAD CCCC(=O)Nc1cc(C(C)C)n[nH]1 156975629 UDXMYLSXHXNUER-UHFFFAOYSA-N 195.266 2.272 0 20 AEAD CC(C)CCN1CCCCC[C@H]1CO 164369826 IBNKZQKBGCCGDQ-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD CCC(CC)(CO)CNC1CC(C)C1 166643558 PQNNAVPITRAWAJ-UHFFFAOYSA-N 199.338 2.173 0 20 AEAD OCC1(CNC2CCCC2)CCCC1 168586689 ITHNVQSZOOGQLT-UHFFFAOYSA-N 197.322 2.071 0 20 AEAD Fc1ccc(OCCC2CC2)cn1 169208447 NIOWAAQEHGTFJB-UHFFFAOYSA-N 181.210 2.400 0 20 AEAD CCN(C)[C@H](C)C(C)(C)C 221193554 KHKAGLJKQUOYDC-MRVPVSSYSA-N 143.274 2.373 0 20 AEAD CCN(CC)C(=O)C1=CCCCC1 225084255 QDHZGZWKVMFOCC-UHFFFAOYSA-N 181.279 2.355 0 20 AEAD C[C@H]1CCCC[C@H]1NC[C@H](C)CCO 227372458 YYBCSFLSDLSZSX-GRYCIOLGSA-N 199.338 2.173 0 20 AEAD CSCCCS[C@@H](C)[C@H](C)O 231170273 OJJCKAIKWIDFDS-YUMQZZPRSA-N 194.365 2.242 0 20 AEAD COC(=O)c1nc(C2CCC2)cs1 259268103 OQEULRFWCWLYDE-UHFFFAOYSA-N 197.259 2.197 0 20 AEAD CC1(C)CC[C@H](NC2CSC2)C1 259703113 KLCPJARFANOACN-QMMMGPOBSA-N 185.336 2.270 0 20 AEAD CC(C)N(C)C(=O)[C@H]1CC[C@@H](C)C1 306277647 FWPWGVHJRXHMLK-ZJUUUORDSA-N 183.295 2.289 0 20 AEAD CCc1nnc(-c2ccc(C)o2)o1 306403531 TUTXKGLGHFSFIQ-UHFFFAOYSA-N 178.191 2.200 0 20 AEAD C[C@H]1C[C@@H](CNC2CCCC2)CCO1 306433083 VRZAKDDMJFVGGF-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD O[C@H]1CCCC[C@H]1c1ccsn1 306844835 FSUKDEHQYIJJCU-CBAPKCEASA-N 183.276 2.162 0 20 AEAD Cc1oncc1NC[C@H]1CCSC1 307094742 OMQUTPIGFQIQER-MRVPVSSYSA-N 198.291 2.148 0 20 AEAD CC1(C)CC[C@H]1NCc1cscn1 307352070 QPKPEODADNBXJW-SECBINFHSA-N 196.319 2.421 0 20 AEAD CCC1(Nc2ncncc2Cl)CC1 307507064 MEYIWXMVBWZIOV-UHFFFAOYSA-N 197.669 2.485 0 20 AEAD FCCN1CCc2cccc(F)c21 307568272 VOWAGFYXBYCLPX-UHFFFAOYSA-N 183.201 2.158 0 20 AEAD CC(C)C[C@@H](C)N1CCO[C@H](C)C1 307757447 LFZCZMKXZVSRMP-GHMZBOCLSA-N 185.311 2.142 0 20 AEAD CC[C@@H](C)N(C)C(=O)OCC1CC1 308311551 RUIRLNNCIZEXFK-MRVPVSSYSA-N 185.267 2.263 0 20 AEAD CC[C@@H](C)OC(=O)c1[nH]ccc1C 308498014 VCGJZRJXWYTQDK-MRVPVSSYSA-N 181.235 2.278 0 20 AEAD CC[C@@H]1CC[C@@H]1NCCCCCCO 308520082 OINOJOMUBKFAIC-NEPJUHHUSA-N 199.338 2.317 0 20 AEAD C[C@H](NC[C@@H]1CC1(C)C)[C@@H]1CCCO1 308701458 VEHCIVOYJPBUMY-DCAQKATOSA-N 197.322 2.190 0 20 AEAD COCCN[C@@]1(C)CCCC[C@H]1C 308727576 YXNBWOLYYCIFDK-MNOVXSKESA-N 185.311 2.191 0 20 AEAD CC1=C(C(=O)N2CCCCO2)CCC1 334537407 PVSDYKARGRRPNN-UHFFFAOYSA-N 195.262 2.041 0 20 AEAD CC1CC(NC(=O)[C@@H](C)C2CCC2)C1 334578609 SEQHQZDLDZNDEN-YUCVTWSNSA-N 195.306 2.337 0 20 AEAD CC[C@H]1CC[C@H](C)N1Cc1cc[nH]n1 334589528 AWNJBOXZDOGMBF-ONGXEEELSA-N 193.294 2.173 0 20 AEAD C[C@@H]1CC[C@H](N(C)C(=O)C2(C)CC2)C1 335869373 DXVUIAZJNIKCEP-ZJUUUORDSA-N 195.306 2.434 0 20 AEAD CCC1(C)CN(C[C@H]2CCCOC2)C1 335916947 MRFIVWGEPXEJJH-LLVKDONJSA-N 197.322 2.145 0 20 AEAD CC(C)[C@@H]1CCN1C(=O)c1ccoc1 335954229 VBRBLDCEXKCJFD-JTQLQIEISA-N 193.246 2.150 0 20 AEAD Cc1cc(CN2CC[C@@H](C)[C@@H]2C)no1 336265198 RBIRYZFIAUXQHM-SCZZXKLOSA-N 194.278 2.213 0 20 AEAD C[C@@H]1CCCCN1C(=O)C1=CCCC1 336372766 BOAXNHOYNIWPMP-SNVBAGLBSA-N 193.290 2.498 0 20 AEAD C[C@H]1CC[C@@H](C)N1C(=O)NC(C)(C)C 336450371 UATYZRXDCRZYHU-DTORHVGOSA-N 198.310 2.367 0 20 AEAD CCC1(NCCC2CCOCC2)CC1 379744059 ZMCKBGTWDKBEOX-UHFFFAOYSA-N 197.322 2.335 0 20 AEAD C/C=C\C[S@](=O)c1ccc(O)cc1 388609706 XMOWYOMJQKFFFT-ZRMMWKCHSA-N 196.271 2.076 0 20 AEAD COC[C@H](CC(C)C)NC1(C)CC1 393716423 SZVXXNITSUMFHA-JTQLQIEISA-N 185.311 2.190 0 20 AEAD CC1(C)CC(NCCCCC(=O)O)C1 395216654 OTCJDFYLQVVEKJ-UHFFFAOYSA-N 199.294 2.020 0 20 AEAD CCC[C@H](NC[C@H](C)O)[C@@H]1CC1(C)C 397668486 FCHOKWLLUZMYCM-DCAQKATOSA-N 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NC1CCC(Cc2ccccn2)CC1 107134706 WVFJNPWQRDJSGT-UHFFFAOYSA-N 190.290 2.142 0 20 AEAD CC(C)c1ccc([C@H](C)N)cn1 107160511 IHUOALLWEJEHQM-QMMMGPOBSA-N 164.252 2.225 0 20 AEAD C[C@H](CC1CCCCC1)C(N)=O 112932892 XTYFTTZSBVTTAX-MRVPVSSYSA-N 169.268 2.078 0 20 AEAD CCC[C@H](C)[C@@H](C)[C@@H](C)O 116792233 TUZFITMORCHYKM-DJLDLDEBSA-N 144.258 2.440 0 20 AEAD C[C@@H]1CC[C@@H](N[C@@H]2CCSC2)C1 122440819 BWVPRVZUDKJRTG-OPRDCNLKSA-N 185.336 2.270 0 20 AEAD CCN(CC)C(=O)N(C)[C@@H](C)C1CC1 122996037 AYWXEAJBJMWFSS-VIFPVBQESA-N 198.310 2.179 0 20 AEAD CCNC(=O)N[C@@H](C)C[C@@H](C)CC 127584991 JNRCASOXWOFZAD-IUCAKERBSA-N 186.299 2.130 0 20 AEAD COC(C)(C)CN[C@H](C)c1ccoc1 133397525 SHFXYDLUQNSVGB-SECBINFHSA-N 197.278 2.355 0 20 AEAD CSC[C@H](C)N[C@@H](C)C(C)C 133952511 RYSRYUBPBIEDEW-IUCAKERBSA-N 175.341 2.372 0 20 AEAD CCOc1ccc(NC)c(F)c1 139899918 WWMCLYSTRQYJER-UHFFFAOYSA-N 169.199 2.266 0 20 AEAD Cc1ccc2c(c1)SCN2 146412321 AAZMYARNNDIDOF-UHFFFAOYSA-N 151.234 2.470 0 20 AEAD CC[C@H](CCO)N[C@@H](C)C1CCCC1 156806969 PRYQGAZIBCIOAT-CMPLNLGQSA-N 199.338 2.316 0 20 AEAD COC[C@H](N[C@H](C)C1CCC1)C(C)C 156878239 WQBQAHDXGBIFKZ-PWSUYJOCSA-N 199.338 2.436 0 20 AEAD CC[C@@H](O)CCN[C@H]1CCCC1(C)C 157401356 WCLZJGADROLMIP-MNOVXSKESA-N 199.338 2.316 0 20 AEAD Cc1cccc(F)c1NCC[C@H](C)O 160317293 KKTXUHAEVNGTTI-VIFPVBQESA-N 197.253 2.317 0 20 AEAD CCCN[C@@H](COC)c1ccc(C)o1 163656834 VVDFYQHURPQKON-JTQLQIEISA-N 197.278 2.275 0 20 AEAD CSCc1ncccc1C 203712633 KIPCJRHOLGWJCK-UHFFFAOYSA-N 153.250 2.253 0 20 AEAD CC(C)CCNC1(C)CC1 228834914 AGSLNKVNADIESO-UHFFFAOYSA-N 141.258 2.175 0 20 AEAD CO[C@@]1(CN)CCC[C@H](C(C)C)C1 231020141 OZZHNCPVECOXLF-QWRGUYRKSA-N 185.311 2.177 0 20 AEAD CCC[C@@H]1C[C@H]1Nc1ccnc(C)n1 231662688 OQPCVOGCAJMCLD-NXEZZACHSA-N 191.278 2.386 0 20 AEAD Cc1cccc(O[C@H]2CCOC2)c1F 232330941 RGFLYLYNDSHBSB-VIFPVBQESA-N 196.221 2.302 0 20 AEAD C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1CCOC1 235231229 MLHLYWLWUAOEFM-MXWKQRLJSA-N 197.322 2.190 0 20 AEAD C[C@H]1C[C@@H](C)C[C@H](N[C@H](C)CCO)C1 252689592 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LTSMEJFZGNISFW-MWLCHTKSSA-N 197.228 2.098 0 20 AEAD NCc1ccc(CCC2CC2)cc1 409430107 FDGABCJDNMEHKA-UHFFFAOYSA-N 175.275 2.488 0 20 AEAD C/C(Cl)=C/Cn1cc(C2CC2)nn1 530171549 BSAFPNZMTKXUIS-DAXSKMNVSA-N 197.669 2.298 0 20 AEAD c1cn(CCSC2CCC2)cn1 590740070 VEDFEZAHZBZMJR-UHFFFAOYSA-N 182.292 2.169 0 20 AEAD CC/C=C\CCSCCCO 591134315 NSQWMGWDHGDXBQ-ARJAWSKDSA-N 174.309 2.458 0 20 AEAD CCCN1CCS[C@@H](CC)C1 608510546 CLJGPDGDBKLWDC-VIFPVBQESA-N 173.325 2.224 0 20 AEAD CC[C@H](C)CN(C)CCSC 609552080 IOCJXHWILVKEFJ-VIFPVBQESA-N 175.341 2.327 0 20 AEAD Cc1cccc(N[C@@H]2COC[C@H]2F)c1 616581036 BWXRHSHRXAAKKR-GHMZBOCLSA-N 195.237 2.144 0 20 AEAD CCN(C[C@](C)(CC)OC)C1CC1 637905844 VBCASIHTJSWVBB-NSHDSACASA-N 185.311 2.286 0 20 AEAD CC(=O)CN1CCC[C@@H](C(C)(C)C)C1 639619860 IMDNBLVJRKOFIU-LLVKDONJSA-N 197.322 2.334 0 20 AEAD CCCCCN[C@@H](CC)[C@@H]1CCCN1 643455656 VLUQIJITKNHFEM-RYUDHWBXSA-N 198.354 2.297 0 20 AEAD C[C@H](N)C[C@H](C)NCC1=CCCCC1 643491477 GKWAYTNJCCNREP-QWRGUYRKSA-N 196.338 2.202 0 20 AEAD CC[C@@H]1CN(CC(C)C)[C@@H](C)CO1 649730972 ANUAAFXSUMEWNM-WDEREUQCSA-N 185.311 2.142 0 20 AEAD C[C@H]1CCC(C)(C)N1Cc1cnc[nH]1 650287710 XFRYJKYRVJUHRV-VIFPVBQESA-N 193.294 2.173 0 20 AEAD CC(C)=CCCSc1ncnn1C 657257283 OKGYUMBXJVFPNC-UHFFFAOYSA-N 197.307 2.264 0 20 AEAD CC1(C)CCC[C@@H](N[C@H]2C[C@H](O)C2)C1 657809161 HASVGMNSOATOJD-GMTAPVOTSA-N 197.322 2.068 0 20 AEAD N[C@@H]1CCC[C@H]1NCCCC1CCC1 665267254 SQPWIVZOUSPYDW-VXGBXAGGSA-N 196.338 2.036 0 20 AEAD C[C@@H](CF)N[C@H]1CCCSCC1 668174154 FQACHSIDAKRSGL-IUCAKERBSA-N 191.315 2.220 0 20 AEAD CCCN(CC[C@H]1CCOC1)C1CC1 682150190 BRRJMXLVPIJKDT-NSHDSACASA-N 197.322 2.287 0 20 AEAD CC(C)CN1C[C@H](C2CC2)O[C@H](C)C1 684206644 LCXCXDWPQVQJBM-ZYHUDNBSSA-N 197.322 2.142 0 20 AEAD CSc1ncc(C=O)cc1Cl 694941345 BATYDDFVOUPADJ-UHFFFAOYSA-N 187.651 2.269 0 20 AEAD C=C/C=C\CCN[C@@H]1CCO[C@H](C)C1 713736524 VWLBEAUFCZUVGN-XLMCQVRKSA-N 195.306 2.276 0 20 AEAD CCCC(=O)OCc1ncc(CC)o1 744477853 PEDDQJMOFFHSKI-UHFFFAOYSA-N 197.234 2.080 0 20 AEAD C[C@H]1CC[C@@H](OC(=O)c2cocn2)C1 779264736 ONZYBNIOUDPWPB-JGVFFNPUSA-N 195.218 2.020 0 20 AEAD CC/C(C)=C/C(=O)N(C)C1CCC1 826562627 PGOSLVOOFYWHDG-CMDGGOBGSA-N 181.279 2.354 0 20 AEAD CC(C)CCN(C)Cc1cnsn1 846776104 JTJQSZNRMUJLRA-UHFFFAOYSA-N 199.323 2.016 0 20 AEAD CO[C@@H]1CC[C@@H](N2C[C@@H](C)[C@@H](C)C2)C1 851791552 ARELYRSNAKKOKU-WRWGMCAJSA-N 197.322 2.142 0 20 AEAD CCC(CC)C(=O)N[C@@H]1CC12CCC2 874788314 KVCNBGLJKCCGJW-SNVBAGLBSA-N 195.306 2.481 0 20 AEAD CCCC[C@@H](C)NCC[C@H](O)C1CC1 898204453 UQNLJZRORVOLKK-PWSUYJOCSA-N 199.338 2.316 0 20 AEAD CC/C=C\CNC(=O)/C=C(/C)Cl 908675396 SXANMUIVZHSKSN-UTOQUPLUSA-N 187.670 2.211 0 20 AEAD CC/C=C\CNC(=O)C1(F)CCCC1 1325277002 FXNBISGAWIPUCB-UTCJRWHESA-N 199.269 2.351 0 20 AEAD C[C@H](COC(=O)CCF)CC(F)F 1525458510 XDPBUJOYNQEETN-LURJTMIESA-N 198.184 2.181 0 20 AEAD CCc1csc(CC)n1 5956847 IAEOVWDULPWPSJ-UHFFFAOYSA-N 141.239 2.268 0 20 AEAD endogenous,in-man CCc1c(-c2ccsc2)n[nH]c1N 26511612 CXPNXXWWNFLHEB-UHFFFAOYSA-N 193.275 2.283 0 20 AEAD C[C@@H]1CCCN1CCc1ccncc1 29131637 HTPLEJUDOQHUSX-LLVKDONJSA-N 190.290 2.108 0 20 AEAD in-vivo CC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 37340326 MYXTXDGEBFZFKQ-RYUDHWBXSA-N 195.306 2.230 0 20 AEAD CCCN(CCC)[C@@H]1CCCC[C@H]1O 37490653 KCBOQSYMABHMMV-VXGBXAGGSA-N 199.338 2.412 0 20 AEAD CC[C@H](C)NCCNc1ccccc1 40397910 XXASTPYMRSFFAT-NSHDSACASA-N 192.306 2.487 0 20 AEAD CCCCCN[C@](C)(C(=O)O)C1CC1 41749797 HCCPROTZDXHFIA-NSHDSACASA-N 199.294 2.020 0 20 AEAD CN(CCCCCO)c1ccccc1 49807203 LAPHWIHVPULVNW-UHFFFAOYSA-N 193.290 2.285 0 20 AEAD CC(C)C[C@@H](C)CNC1CC1 52966425 WFDBWLYFPOLZEV-SECBINFHSA-N 155.285 2.421 0 20 AEAD CC[C@H]1CCCN1C(=O)[C@@H](C)C1CC1 62275524 KVWWJXVFTIVGRI-ONGXEEELSA-N 195.306 2.434 0 20 AEAD c1cc(CN[C@H]2CCSC2)cs1 63152137 QHCUGTOLBSBXPX-VIFPVBQESA-N 199.344 2.343 0 20 AEAD CC(C)CCN[C@@H]1CCO[C@@H](C)C1 69857380 MKGFCJFEGLBELH-WDEREUQCSA-N 185.311 2.190 0 20 AEAD CCCCN1CCCCC[C@H]1C(=O)O 80991805 DIAQPABPIICBLJ-JTQLQIEISA-N 199.294 2.116 0 20 AEAD C/C=C/C=C/C(=O)NCCCCC 82251067 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165.240 2.127 0 20 AEAD C[C@@H]1CN(C[C@@H]2CCCO2)[C@@H](C)[C@H]1C 642723189 WYLDOLBNUDSJFU-RHYQMDGZSA-N 197.322 2.142 0 20 AEAD CCCNCCN[C@H](CC)[C@@H]1C[C@H]1C 643515135 HMCHWMRENNORNT-IJLUTSLNSA-N 198.354 2.010 0 20 AEAD CC(C)N(C)C(=O)N(C)C(C)(C)C 645849864 DOTFZOIQNBYZIM-UHFFFAOYSA-N 186.299 2.177 0 20 AEAD CC[C@H](NC(C)C)C(F)F 648619264 KXXGXFWGRNMAAQ-LURJTMIESA-N 151.200 2.028 0 20 AEAD CCCCCN=c1[nH]nc(C(C)C)o1 649221511 WLEHQXOECCOOEA-UHFFFAOYSA-N 197.282 2.217 0 20 AEAD CC[C@@H](C)N(C)C[C@H]1C[C@H]2CC[C@H]1O2 649376604 RKMBZNMCRGQTTH-DDHJBXDOSA-N 197.322 2.284 0 20 AEAD C[C@@H]1C[C@@H](NC2(C3CC3)CC2)[C@@H](C)O1 649707695 HCJZZTUTBOOHEG-FXPVBKGRSA-N 195.306 2.085 0 20 AEAD C[C@@H](COCC1CC1)N[C@@H](C)C1CC1 651983732 IGRSJIVAGUKOLS-UWVGGRQHSA-N 197.322 2.190 0 20 AEAD CCO[C@H](CC)c1nc(C2CC2)no1 656744549 AKWLQWUFGSDTLA-MRVPVSSYSA-N 196.250 2.435 0 20 AEAD CCC(CC)CN(C)c1cnn(C)c1 659983490 NTKUKIXMWYBXNY-UHFFFAOYSA-N 195.310 2.293 0 20 AEAD Fc1cccnc1N1CCC[C@H]2C[C@H]21 672323134 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185.311 2.334 0 20 AEAD CN[C@H](C)c1ccc(F)cc1F 21963553 WZTWPNDSZMOORY-ZCFIWIBFSA-N 171.190 2.245 0 20 AEAD Cc1ccoc1CN1CCCC1 34245866 MHDHZFYFQZAJAM-UHFFFAOYSA-N 165.236 2.184 0 20 AEAD Cc1cc(C)nc(N[C@@H](C)C2CC2)n1 35207905 YOZJKGSHVFWELL-VIFPVBQESA-N 191.278 2.304 0 20 AEAD C[C@H](N)c1nc(-c2cccs2)c[nH]1 36872313 RFQVVAYHGAEIQM-LURJTMIESA-N 193.275 2.158 0 20 AEAD Cc1ccccc1O[C@H]1CCC[C@@H]1O 37695620 XWXPPCFPAHQSTD-JQWIXIFHSA-N 192.258 2.287 0 20 AEAD N#CNc1ccc(F)c(Cl)c1 39365197 HGAQSVWYHCIVQV-UHFFFAOYSA-N 170.574 2.372 0 20 AEAD C[C@H](Nc1nccnc1Cl)C1CC1 43537742 SAAJFTMLIQHCER-LURJTMIESA-N 197.669 2.340 0 20 AEAD CCC[C@@H](C)N[C@@H]1CCN(C2CC2)C1 44685112 LDSHSZYVJCFXGN-GHMZBOCLSA-N 196.338 2.001 0 20 AEAD CCCNCc1ncc(CC)s1 54159045 VBUUPUDZAHXBKP-UHFFFAOYSA-N 184.308 2.205 0 20 AEAD Cc1cccc(N[C@H]2CCOC2)c1 70962372 PKXXCUYRDDDLJN-NSHDSACASA-N 177.247 2.196 0 20 AEAD CC(=O)COc1cc(F)ccc1C 75881357 PRLNHPLQBOQGKA-UHFFFAOYSA-N 182.194 2.102 0 20 AEAD C[C@@H]1CCN(C(=O)C2CC2)[C@H](C)C1 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RVBUXZXHAUGDEX-UHFFFAOYSA-N 196.319 2.421 0 20 AEAD CCC1(Nc2cncc(Cl)n2)CC1 307325616 GNXICFNJMQOWHK-UHFFFAOYSA-N 197.669 2.485 0 20 AEAD C[C@@H]1CCC[C@H](NC2CSC2)C1 307576733 KOBBJPQUVLZHHN-BDAKNGLRSA-N 185.336 2.270 0 20 AEAD CC(C)CC(=O)N1CCC(C)(C)C1 307727750 DPTFHMPVNHXKMV-UHFFFAOYSA-N 183.295 2.291 0 20 AEAD CCCCCn1cnc(Cl)n1 307759393 RPEJWPGUTXCOQT-UHFFFAOYSA-N 173.647 2.122 0 20 AEAD CCCCNC(=O)CCSCC 307970345 GOHGFJWICMGNGL-UHFFFAOYSA-N 189.324 2.046 0 20 AEAD CC[C@H](C)OC(=O)C1[C@@H]2CCC[C@@H]12 308231495 OXTUWRKMPORCNN-DJLDLDEBSA-N 182.263 2.374 0 20 AEAD C/C=C\C[C@H](CO)N[C@H]1CCC1(C)C 308544840 VNZGAAIYUULFAG-KWKBKKAHSA-N 197.322 2.092 0 20 AEAD COCC1(N[C@H]2CCC[C@H](C)C2)CC1 308584296 HSUJIKCWAOVNFT-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD CCCCCN[C@H]1CCC[C@H]1CCO 308598216 NLIFYCPGWKSHLZ-RYUDHWBXSA-N 199.338 2.317 0 20 AEAD C[C@H](C(=O)N(C)[C@@H]1CC1(C)C)C1CC1 335230480 WLZUAXWEIIGRFX-WCBMZHEXSA-N 195.306 2.289 0 20 AEAD C[C@@H]1CCCCN(C(=O)C2(C)CC2)C1 335261736 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AEAD CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccoc1 130938493 HAVZFGDKQOGZBN-KXUCPTDWSA-N 197.278 2.354 0 20 AEAD CCCNC(=O)N1CCC[C@H](CC)C1 136024110 OOPIMUKECMFUMA-JTQLQIEISA-N 198.310 2.228 0 20 AEAD C[C@H](CNCc1ccccn1)C1CC1 136211229 QNCRPQDPDQMWCU-SNVBAGLBSA-N 190.290 2.217 0 20 AEAD COC[C@@H](C)NCC1(CC(C)C)CC1 165849278 CFXFFOCWXGDAKL-LLVKDONJSA-N 199.338 2.437 0 20 AEAD CC[C@H]1CCN(CCNC(C)(C)C)C1 166074671 XXFOSAZKIYEOAU-NSHDSACASA-N 198.354 2.106 0 20 AEAD CC[C@H](C)N[C@@H](CC)[C@@H]1CCOC1 166333769 KTVWNTFAJIYQSY-AXFHLTTASA-N 185.311 2.190 0 20 AEAD CCC[C@H](C)NC1(C)CC1 225817964 YJYVQAOUTCNWJE-QMMMGPOBSA-N 141.258 2.317 0 20 AEAD CC(C)CC[C@H](C)N[C@@H]1CCC[C@H]1O 226267599 RUQKNPRPKVABLP-QJPTWQEYSA-N 199.338 2.314 0 20 AEAD CC1(CNC[C@@H]2CCSC2)CC1 226383974 UAXHBZWBAUYITI-VIFPVBQESA-N 185.336 2.129 0 20 AEAD CCCCN[C@H]1CCc2cccnc21 226797963 SUECKDYQZSVUCR-NSHDSACASA-N 190.290 2.459 0 20 AEAD CCC1(CN[C@H](C)[C@@H](C)O)CCCC1 232995832 LAIMODKKZBQVQS-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CC1(C)C(CCN)C1(C)C 238233559 HQYJUGJIYVHTTF-UHFFFAOYSA-N 141.258 2.017 0 20 AEAD CCCCCCN1CC[C@H](C)[C@H]1CO 299961144 GLBZKOWATSCWFJ-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD COC[C@@H](C)NCCCC(C)(C)C 300789687 ZZUGMBPUFIZRDJ-SNVBAGLBSA-N 187.327 2.437 0 20 AEAD O=C(NCCF)C1CCCCCC1 306264126 OBCPQWRAIBUHDL-UHFFFAOYSA-N 187.258 2.043 0 20 AEAD C[C@H]1CN(C2CCCC2)[C@@H]1C 307297467 SCAGRLZBOLHRCC-DTWKUNHWSA-N 153.269 2.269 0 20 AEAD CC(=O)N[C@H]1C[C@@H]1C1CCCCC1 307531550 XOTHUJRYAXTOQJ-MNOVXSKESA-N 181.279 2.091 0 20 AEAD C/C=C/C=C/C(=O)NC1(C)CCC1 307560386 XRQUSFDDHIMHGQ-BDWKERMESA-N 179.263 2.178 0 20 AEAD CCCSCC(=O)O[C@@H](C)CC 307955811 RGTCDCXLVSPNTK-QMMMGPOBSA-N 190.308 2.471 0 20 AEAD Cc1ccoc1CNC/C=C\Cl 307969042 VRYFXWUJIPKTMX-RQOWECAXSA-N 185.654 2.430 0 20 AEAD CCCCNC(=O)C[C@@H](C)SC 307969889 GFBXUYMWGZCEKA-MRVPVSSYSA-N 189.324 2.044 0 20 AEAD CC[C@H](C)N(C)CC[C@@H]1CCOC1 308320458 YGPSQKXSAZORJD-WDEREUQCSA-N 185.311 2.143 0 20 AEAD CC[C@@H](NCC[C@@H](C)OC)C(C)C 308363232 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2.458 0 20 AEAD C[C@H]1CCC[C@@H](C)N1C[C@H]1CCOC1 595571579 FAIUUMCCXCVBPO-GRYCIOLGSA-N 197.322 2.286 0 20 AEAD CC(C)(C)NC(=O)NC1(C)CC=CC1 606271423 PDOUVLGNJUOEFN-UHFFFAOYSA-N 196.294 2.193 0 20 AEAD CCOC(C)(C)c1nc(C(C)C)no1 632006117 PHKFIGGFYODEJO-UHFFFAOYSA-N 198.266 2.465 0 20 AEAD CCC1(C(=O)N2CC[C@H]2C)CCC1 641244799 ZVTWMLCGQBXPQH-SECBINFHSA-N 181.279 2.188 0 20 AEAD CCCOc1cccc2c1OCC2 642450075 PENBENYVOAACEM-UHFFFAOYSA-N 178.231 2.410 0 20 AEAD CCNCCCN[C@H](CC)[C@@H]1C[C@@H]1C 643499281 VKULZLYSGLWKKH-QJPTWQEYSA-N 198.354 2.010 0 20 AEAD CN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)C1CC1 648140011 FNIFDXUXESEECR-WCABBAIRSA-N 193.290 2.043 0 20 AEAD CCOCCCNC1(C2CCC2)CC1 649808930 WBULWDKKWLAXDW-UHFFFAOYSA-N 197.322 2.335 0 20 AEAD C[C@H]1C[C@H]1C(=O)NC1(C2CCC2)CC1 650667897 AQLYXIIIMNVXPV-WCBMZHEXSA-N 193.290 2.091 0 20 AEAD CCO[C@H]1C[C@@H](N[C@H]2CC[C@H]2CC)C1 656864884 YGARFKJLPOQVSI-WYUUTHIRSA-N 197.322 2.332 0 20 AEAD CN(CCC(C)(C)O)C[C@@H]1CC1(C)C 662342791 CPXQZPABSBBQCU-JTQLQIEISA-N 199.338 2.125 0 20 AEAD COC1([C@H](C)NCC=C(C)C)CCC1 665217585 MDNHDWGLTDSMEX-NSHDSACASA-N 197.322 2.500 0 20 AEAD CCC[C@H](CC)N[C@@H]1CCN[C@H](C)C1 666874218 HZVKKUACBSEZDL-GRYCIOLGSA-N 198.354 2.295 0 20 AEAD CC[C@@H](C)CN1CCC2(CCO2)CC1 669700849 UNUBERBXZDJDHU-LLVKDONJSA-N 197.322 2.287 0 20 AEAD CC[C@H](C)NC(=O)NCC1(CC)CC1 674412614 RICXPEMXHCKOCA-VIFPVBQESA-N 198.310 2.274 0 20 AEAD CC[C@@H](O)CN1CC[C@@H](C)C[C@H](C)C1 676905498 VHKWJZVXMSZDIE-GRYCIOLGSA-N 199.338 2.125 0 20 AEAD C[C@@H]1CCC[C@@H](C)N1Cc1cn[nH]c1 678120146 ADMMLNXWHUMWFO-NXEZZACHSA-N 193.294 2.173 0 20 AEAD CC[C@@H]1CO[C@H](C)CN1CC1(C)CC1 683822805 OIGOZUGTDXOGOR-GHMZBOCLSA-N 197.322 2.286 0 20 AEAD C[C@@H]1CC[C@H](CN[C@@H]2COC[C@@H]2C)C1 688045555 RBHNSJRPLFRWTA-NOOOWODRSA-N 197.322 2.047 0 20 AEAD Cc1nccc(N[C@H]2CC23CCC3)n1 721171193 QCTQIKWDMCJMEH-VIFPVBQESA-N 189.262 2.140 0 20 AEAD CCCCCONC(=O)C1CCCC1 766742513 SLHQGZVSNJWDDG-UHFFFAOYSA-N 199.294 2.415 0 20 AEAD CC(C)(F)C(=O)N1CCC2(CC1)CC2 768402056 MTPKNYFMBGRUGO-UHFFFAOYSA-N 199.269 2.137 0 20 AEAD CC[C@@H](C)CCC(=O)NOCC1CC1 817357455 HEUMHUNWLOFLKX-SECBINFHSA-N 199.294 2.271 0 20 AEAD CC/C(C)=C\C(=O)NC(C)(C)C 822367829 MCKPLYZBJOQUQT-FPLPWBNLSA-N 169.268 2.257 0 20 AEAD C[C@H](NC(=O)O)[C@@H](C)c1ccccc1 825191858 AYOBINOAFUCTRL-BDAKNGLRSA-N 193.246 2.446 0 20 AEAD CCCN(CCC)Cc1cnsn1 846771704 KUNWCYGECAZTKG-UHFFFAOYSA-N 199.323 2.160 0 20 AEAD C[C@@H]1C[C@H]1C(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 851413519 LLIDRZOPCPBAFT-MVCUBJFGSA-N 194.274 2.232 0 20 AEAD CC[C@H](C)CCN[C@@H]1CCNC1(C)C 925708855 SOLZJHFGAZEJEM-WDEREUQCSA-N 198.354 2.153 0 20 AEAD C[C@H](O)C[C@H](C)N[C@@H]1[C@@H](C)CC[C@H]1C 926129747 GCELVXNXERHJEV-KZZRWZIVSA-N 199.338 2.170 0 20 AEAD c1cncc(-c2nnc(C3CC3)o2)c1 1254042437 DGVIIFNAWUDYBU-UHFFFAOYSA-N 187.202 2.009 0 20 AEAD CCO[C@@H](C)c1nnc(C2CCC2)o1 1341506310 ZISHTAUHPRZXLR-ZETCQYMHSA-N 196.250 2.435 0 20 AEAD CCCCOC(=O)c1ocnc1CC 1524278012 JLGQURSFEMGOHP-UHFFFAOYSA-N 197.234 2.194 0 20 AEAD CCC(CC)NCc1ccccn1 19957368 NUZORYWQQIVXOG-UHFFFAOYSA-N 178.279 2.360 0 20 AEAD Cc1ccc(C)c(N(C)CCCN)c1 20239845 RMHKFPYIRYGVPT-UHFFFAOYSA-N 192.306 2.088 0 20 AEAD CSc1cccc(NC#N)c1 22012201 UKQSFPATKCKZDC-UHFFFAOYSA-N 164.233 2.301 0 20 AEAD in-vitro CC[C@H](C)CC(C)(C)CO 34355698 JNWGRGISOITMRT-QMMMGPOBSA-N 144.258 2.441 0 20 AEAD CCN(CCCC(=O)O)C1CCCC1 35766642 PSRJXLNWGAEOEK-UHFFFAOYSA-N 199.294 2.116 0 20 AEAD CCCNCc1ccc(OC)c(F)c1 36923710 RFHMBRORLFERLU-UHFFFAOYSA-N 197.253 2.334 0 20 AEAD CC(C)C[C@@H](C)Nc1ccn(C)n1 37471887 QBJAIWUGNNYKNO-SECBINFHSA-N 181.283 2.267 0 20 AEAD COCCCNCCC(C)(C)C 37488699 MXJZUUDJCPGFKX-UHFFFAOYSA-N 173.300 2.049 0 20 AEAD CC[C@@H](O)CN(C)CC1CCCCC1 42494075 SUEPFKNXAVPQLO-GFCCVEGCSA-N 199.338 2.269 0 20 AEAD CCN(C[C@H](C)O)c1ccccc1C 48235470 GOSIZSJIQGKERW-NSHDSACASA-N 193.290 2.202 0 20 AEAD CO[C@@H]1CCC[C@H]1NCC1CCCC1 50372084 YNGOLXBNBJCFFI-VXGBXAGGSA-N 197.322 2.334 0 20 AEAD C[C@@H](CSC1CCCC1)C(=O)O 62829006 RYOUFHHUIDQKHB-ZETCQYMHSA-N 188.292 2.383 0 20 AEAD CC[C@H](C)C[C@@H](CN)[C@@H]1CCCCN1 68590960 XPBPZMFLTQXTQK-SRVKXCTJSA-N 198.354 2.140 0 20 AEAD CCC(=O)N[C@H](C)Cc1ccsc1 70227516 KWKXIBLOUBDEGI-MRVPVSSYSA-N 197.303 2.205 0 20 AEAD Cc1cc(F)ccc1[C@@H]1CCN1 78678179 JFVBOPOCKIUEHE-JTQLQIEISA-N 165.211 2.169 0 20 AEAD CC[C@@H](N[C@H](C)CCN(C)C)C1CC1 83056007 QNVWGHBNPDQCJQ-ZYHUDNBSSA-N 198.354 2.105 0 20 AEAD CC[C@@H](N[C@@H](COC)C(C)C)C1CC1 83397677 LRAIYWIZJIEOSK-NEPJUHHUSA-N 199.338 2.436 0 20 AEAD C[C@@H](N)CCc1ccncc1Cl 84085487 YDALQGZJBXZHNC-SSDOTTSWSA-N 184.670 2.015 0 20 AEAD CCN[C@@H]1C[C@@H](OC)C1(CC)CC 85521041 WFYKWCOCVOBDPI-NXEZZACHSA-N 185.311 2.190 0 20 AEAD CC(C)[C@@H](CO)N[C@H]1CCCC[C@@H]1C 86122798 NYLROZJLGQBVJA-SDDRHHMPSA-N 199.338 2.172 0 20 AEAD CC1(CN[C@@H]2CCCC2(C)C)COC1 86874551 VUWZMHHABNJOQC-SNVBAGLBSA-N 197.322 2.191 0 20 AEAD N[C@H]1CCCCC[C@@H]1C(F)(F)F 88613760 GTBQJLHESXHBSH-BQBZGAKWSA-N 181.201 2.456 0 20 AEAD in-vitro CCCCNCC1(N(C)C)CCCC1 105838454 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2.163 0 20 AEAD C[C@@H]1CCN1C(=O)C1CCCCC1 306491731 WLQIBHIJDUBTIR-SECBINFHSA-N 181.279 2.188 0 20 AEAD O=C(O[C@H]1CCSC1)C1=CCCC1 306650879 RQGJQLKYBVQKST-VIFPVBQESA-N 198.287 2.145 0 20 AEAD Cc1ccnc(N2CC[C@H](C)C2)c1 306823016 ORUXKHGWKIOCHU-JTQLQIEISA-N 176.263 2.236 0 20 AEAD C[C@@H]1O[C@H](C)C[C@H]1NCC1=CCCC1 306830128 IREQOCQARQZJCF-JFGNBEQYSA-N 195.306 2.252 0 20 AEAD C/C=C/C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 307372722 RFYJPTSTIWYZHC-JKNZDJNPSA-N 181.279 2.065 0 20 AEAD c1ccc(SC[C@H]2CCOC2)nc1 307415748 VLVXGCNXEOKDLM-VIFPVBQESA-N 195.287 2.210 0 20 AEAD Fc1cnccc1NCC1CC1 307599557 QDTKBPKYTWBJED-UHFFFAOYSA-N 166.199 2.043 0 20 AEAD CCN(C/C=C\Cl)C[C@H](C)OC 307997487 XHFFVZJHPWPHBZ-UDIARPCQSA-N 191.702 2.096 0 20 AEAD O=C(CC1CCCC1)OCCCF 308192675 PFXAGLAVSNWPFC-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD CC(C)CC(=O)OCc1cscn1 308228036 FPWVEJZBCZLBNI-UHFFFAOYSA-N 199.275 2.232 0 20 AEAD CCc1nc(C)c(CNC(C)C)o1 308267057 QDGDGQNMYMQLGY-UHFFFAOYSA-N 182.267 2.043 0 20 AEAD CCOCC(C)(C)CNCC1(C)CC1 308548450 WLHMAYJSGXTION-UHFFFAOYSA-N 199.338 2.439 0 20 AEAD CCN(C)C(=O)c1ccc(C)c(F)c1 334254265 MTNJFWKNJDTPJL-UHFFFAOYSA-N 195.237 2.226 0 20 AEAD CN(Cc1ccon1)C1CCCCC1 334410665 SZQFVUKWYRFEBL-UHFFFAOYSA-N 194.278 2.439 0 20 AEAD CCNC(=O)[C@@H](C)c1cccc(C)c1 334589759 PJFDJHHVJYYRSK-JTQLQIEISA-N 191.274 2.235 0 20 AEAD CN(CC1CC1)C(=O)[C@]12CCC[C@@H]1C2 335000313 SXMIQIYDRMMCRL-PWSUYJOCSA-N 193.290 2.045 0 20 AEAD O=C(CC1CC1)N1CC(C2CCC2)C1 335084876 JLSVAFIJUXYSAW-UHFFFAOYSA-N 193.290 2.045 0 20 AEAD CC[C@H](SC)C(=O)OCC(C)C 379326275 HEXLLXFWHZYZGK-QMMMGPOBSA-N 190.308 2.327 0 20 AEAD CC(C)N[C@@H](CO)CCC(C)(C)C 379393944 WBGHADKKGXMVLK-SNVBAGLBSA-N 187.327 2.172 0 20 AEAD CC/C=C(\C)C(=O)NOC(C)(C)C 379401995 LZYWREIHZLAVBK-BQYQJAHWSA-N 185.267 2.189 0 20 AEAD CC(C)CN[C@@H](C)Cc1ccncc1 379599132 IUXYRFCFGGKEBA-NSHDSACASA-N 192.306 2.258 0 20 AEAD CC(C)C1(NC[C@@H]2CCC=CO2)CC1 379738803 XBCVONRHKRDWAI-NSHDSACASA-N 195.306 2.457 0 20 AEAD CCC(CC)CN1CC[C@H](CO)[C@@H]1C 385769211 YLYZAXPFDNOXMH-CMPLNLGQSA-N 199.338 2.125 0 20 AEAD CCO[C@H](C)C(=O)OC[C@@H](C)CC 388679550 ZVLMNPIRZHKAJZ-DTWKUNHWSA-N 188.267 2.001 0 20 AEAD C/C=C/COC(=O)CCC(F)(F)F 388802399 PCFWVPGPDGKOIQ-NSCUHMNNSA-N 196.168 2.448 0 20 AEAD CCCN(C)C(=O)CCC1CCC1 393560311 ZSUQDDGEWYWXPQ-UHFFFAOYSA-N 183.295 2.435 0 20 AEAD CC(C)[C@@H](CCO)N[C@@H](C)C1CCC1 393674248 QPBJLBSVOPSSHJ-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD COCCN[C@H](C)c1csc(C)c1 394592702 UTPTZFNSLHYRDT-SECBINFHSA-N 199.319 2.354 0 20 AEAD C[C@@]1(N)[C@H](c2ccccc2)C1(F)F 409430812 HTGKKWFHOKKCSY-DTWKUNHWSA-N 183.201 2.137 0 20 AEAD CCCCC(=O)N1CC[C@H]2C[C@@H]2C1 619350015 YELKIJSXJHNOSY-VHSXEESVSA-N 181.279 2.045 0 20 AEAD CCN1N=C2CCCCCC[C@@H]2C1=O 634584674 JWSZGJIXIXKNHW-VIFPVBQESA-N 194.278 2.175 0 20 AEAD C[C@H]1OCC[C@@H]1CN(C)C1CCCC1 639443184 YGKVJSHXERXPFC-GHMZBOCLSA-N 197.322 2.286 0 20 AEAD C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2C)C1 641952228 YQONPTNQDMOGID-LMLFDSFASA-N 195.306 2.147 0 20 AEAD CCCN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 648215223 NXEDNDGYUCHLTC-VWYCJHECSA-N 195.306 2.291 0 20 AEAD C[C@H]1CSC[C@@H]1NC1(C)CCC1 648502569 NOPPRXQDYLSKEG-IUCAKERBSA-N 185.336 2.270 0 20 AEAD C[C@H]1CC[C@H](C(=O)NC2CC2)CC1 650989469 HJHCUZHMZXEGET-KYZUINATSA-N 181.279 2.091 0 20 AEAD CC[C@@H](NCCCF)c1ccncc1 651272012 HFEXBDOOTIFUFA-LLVKDONJSA-N 196.269 2.482 0 20 AEAD CC[C@H](C)CN[C@@H](C)c1ccn(C)n1 657227216 BVRNNDHCIGSKNP-UWVGGRQHSA-N 195.310 2.117 0 20 AEAD CC[C@H](C)NC(=O)C1CC2(CC2)C1 665059796 HRRSVLSHKGRUNC-QMMMGPOBSA-N 181.279 2.091 0 20 AEAD C[C@@H]1CCNC[C@@H]1NCCC(C)(C)C 666860593 MPBKYVXSTSPPLQ-MNOVXSKESA-N 198.354 2.010 0 20 AEAD CC/C=C/CCN1CCC[C@H](CO)C1 681019664 ZEJHHYZVILWDNA-PCAWENJQSA-N 197.322 2.047 0 20 AEAD C[C@H](CCC1CC1)NC(=O)CC1CC1 681107734 OLQHKMIQKHBNNU-SECBINFHSA-N 195.306 2.481 0 20 AEAD C[C@@H]1CN(Cc2cn[nH]c2)C(C)(C)C1 691758116 XFNADKIYSGNGGW-VIFPVBQESA-N 193.294 2.030 0 20 AEAD Cc1csc(CN[C@H]2C=CCC2)n1 698282614 DGDNZQQHICNGGT-VIFPVBQESA-N 194.303 2.260 0 20 AEAD CC[C@H](C)[C@H](C)NCCOC1CC1 711752701 KPNWOROAKHPCIU-UWVGGRQHSA-N 185.311 2.190 0 20 AEAD C=C/C=C/CCNC[C@@H]1CCC=CO1 713646048 XIBYQEBUIUMDDZ-PCAWENJQSA-N 193.290 2.401 0 20 AEAD CCC1(NC(=O)c2cc(C)co2)CC1 718491164 NOBAANRQSBOHDJ-UHFFFAOYSA-N 193.246 2.260 0 20 AEAD CC1=CCN(CCCCCCO)CC1 756640738 RMEOFVIKZHJMPG-UHFFFAOYSA-N 197.322 2.191 0 20 AEAD CON(C)Cc1ccc2c(c1)CCC2 768697466 VQVUIRVHGKUUBJ-UHFFFAOYSA-N 191.274 2.169 0 20 AEAD CC[C@H](C)OC(=O)c1c(C)ccn1C 784291348 IQEGHCFJSLTNRW-VIFPVBQESA-N 195.262 2.289 0 20 AEAD CCCC(=O)OCc1c(C)noc1C 797650384 PGIJJHURGYIECF-UHFFFAOYSA-N 197.234 2.135 0 20 AEAD CCCC[C@@H](C)C(=O)Nc1ccon1 800528043 HCGMQJXBCSRPLZ-MRVPVSSYSA-N 196.250 2.439 0 20 AEAD O=C(OCC1CCC1)c1cc(F)c[nH]1 815390533 MINMBMZACFCZPM-UHFFFAOYSA-N 197.209 2.111 0 20 AEAD CC[C@@H](C)N(C)C(=O)OC1CCC1 830361395 KLJNGTRSBZUDGP-MRVPVSSYSA-N 185.267 2.406 0 20 AEAD CC/C=C\COC(=O)[C@@H]1CC1(F)F 835090701 KHVLBRZQSBWIIB-AVALRIAPSA-N 190.189 2.151 0 20 AEAD CC[C@@H](CN[C@@H]1[C@@H](C)CC[C@H]1C)OC 842160098 UNHWTHVQQYZUKX-WHOHXGKFSA-N 199.338 2.436 0 20 AEAD CC(C)CCN(C)C(=O)OCCF 858913185 WDHUSTYKGRSEPZ-UHFFFAOYSA-N 191.246 2.070 0 20 AEAD FCCCN1CCC[C@@H](CF)C1 880234446 SJYHTLDBZNZEDT-VIFPVBQESA-N 177.238 2.028 0 20 AEAD FC1CCN(CC2CC=CC2)CC1 880238972 PIFLVVZAEVFOHP-UHFFFAOYSA-N 183.270 2.387 0 20 AEAD CCC[C@@H](C)NC(=O)/C=C(/C)Cl 900075897 FIDIZQIFQGJIDE-NFXKFNAJSA-N 189.686 2.434 0 20 AEAD CC[C@H](CO)N1CCC[C@@](C)(CC)C1 929747477 DDXQXSPGROVVAL-VXGBXAGGSA-N 199.338 2.269 0 20 AEAD CCc1cccc(N(C)C[C@@H](C)N)c1 1578266810 RWLXHFDAJPVJMH-SNVBAGLBSA-N 192.306 2.032 0 20 AEAD CC[C@H]1CCCCC[C@H]1O 23694943 LQLDVCUBNOPACY-DTWKUNHWSA-N 142.242 2.338 0 20 AEAD CC(C)=CC(=O)N1CCC(C)CC1 32205902 RJJRWGWANXWFHY-UHFFFAOYSA-N 181.279 2.211 0 20 AEAD CC(C)Nc1nccn1C(C)C 34936119 GJSNQPLZZPGWIS-UHFFFAOYSA-N 167.256 2.284 0 20 AEAD CCCOC(=O)c1ccoc1C 35189206 VTBKVUSWJQISLQ-UHFFFAOYSA-N 168.192 2.155 0 20 AEAD CCc1cc(N[C@H](C)CC)ncn1 40764997 UYICOLOBJNVUFP-MRVPVSSYSA-N 179.267 2.249 0 20 AEAD CCC[C@@H](C)NCc1nccs1 41012132 ZLFRPWBKHFKXLA-MRVPVSSYSA-N 184.308 2.421 0 20 AEAD CC(C)CN(C)c1cncc(Cl)n1 43537668 IOTAUEGYRJLCSE-UHFFFAOYSA-N 199.685 2.222 0 20 AEAD COCCNC[C@@H]1CCC[C@@H](C)C1 70567034 QVSSJEDUTABMRF-GHMZBOCLSA-N 185.311 2.049 0 20 AEAD CC(C)OCC1(N)CCCCC1 70876330 PNGBMJHPWQZAKV-UHFFFAOYSA-N 171.284 2.073 0 20 AEAD O=C(NC1CCC1)c1cccs1 82557140 IMGLJILLAVRFIC-UHFFFAOYSA-N 181.260 2.030 0 20 AEAD CC[C@@H](CO)N[C@@H]1C[C@H](C)CC[C@@H]1C 82857950 FPCROXFKJYOJAK-NOOOWODRSA-N 199.338 2.172 0 20 AEAD C[C@@H]1CCCCC[C@H]1NCC(C)(C)O 83949083 KYCPJHODBWAPNW-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD Fc1cccc(N[C@H]2CCSC2)n1 127289671 WLNLUVCKRNULBT-ZETCQYMHSA-N 198.266 2.138 0 20 AEAD N[C@H]1CCCCC[C@@H]1NC1CCCC1 129796847 FXBKAOBYJFCJKA-RYUDHWBXSA-N 196.338 2.179 0 20 AEAD CC(C)[C@@](C)(O)CN[C@H](C)C1CCC1 133529943 POUCSRMXRHKYSC-PWSUYJOCSA-N 199.338 2.172 0 20 AEAD CC[C@@H](CCO)NC[C@@H]1CC=CCC1 159278042 MEAONYTZDWIJPW-NEPJUHHUSA-N 197.322 2.093 0 20 AEAD Oc1cc(F)cc(CNC2CCC2)c1 159598954 QIPRXXPIJUUSLC-UHFFFAOYSA-N 195.237 2.173 0 20 AEAD Cc1nnc(SCC2CC2)s1 198853407 LCGJYFPQSSLSPH-UHFFFAOYSA-N 186.305 2.349 0 20 AEAD COc1cc(C=O)ccc1C1CC1 211782130 ZZPUVEJFSBSPAF-UHFFFAOYSA-N 176.215 2.385 0 20 AEAD CC1(C)C[C@@H]1C(=O)NOC1CCCC1 223638889 YXTCSAXGZWVZSU-SECBINFHSA-N 197.278 2.023 0 20 AEAD CSCCOCCC(C)C 226345912 KGCYYQRBJZSXBE-UHFFFAOYSA-N 162.298 2.412 0 20 AEAD C[C@@H]1C[C@H](N2CCCCCC2)CCN1 229540371 SSYZZEGNZVAICJ-VXGBXAGGSA-N 196.338 2.003 0 20 AEAD CC1(C)CC[C@H](NCc2ccno2)C1 231880872 MOPMFAPXFDRSMU-VIFPVBQESA-N 194.278 2.343 0 20 AEAD CC(C)=CCNCc1cccn1C 232617889 RZSVUHDNJXMTIX-UHFFFAOYSA-N 178.279 2.081 0 20 AEAD CCCCCCN1CC[C@@](C)(CN)C1 232937457 LQUGMGRLGGXWME-LBPRGKRZSA-N 198.354 2.237 0 20 AEAD CC[C@H](N[C@@H](C)CN)c1cccs1 234044280 PZWOYVQTNIVKCU-IUCAKERBSA-N 198.335 2.136 0 20 AEAD CC(C)=CCN[C@@H]1CCO[C@H](C)C1 235307891 QRAOHVQFRSPYHE-GHMZBOCLSA-N 183.295 2.110 0 20 AEAD CC(C)=CCNC(=O)NCC=C(C)C 238152114 KPRFLMGRXZLVJZ-UHFFFAOYSA-N 196.294 2.218 0 20 AEAD NC(=O)CCCCCc1cccs1 238642365 MGMBVFLULZSFHS-UHFFFAOYSA-N 197.303 2.336 0 20 AEAD CC[S@](=O)c1cc(F)ccc1F 306169997 YQJUVJBQLVPPEM-LBPRGKRZSA-N 190.214 2.092 0 20 AEAD CC(C)=CCNC(=O)[C@H]1CC1(C)C 306439521 JNIFJHFIJAGFNF-SECBINFHSA-N 181.279 2.115 0 20 AEAD C[C@H]1CC[C@H](C(=O)NC(C)(C)C)C1 306554128 BXVOSCRIJZKYQR-IUCAKERBSA-N 183.295 2.337 0 20 AEAD CSCc1scnc1C 306857921 YYHVTZHFEGQNSL-UHFFFAOYSA-N 159.279 2.315 0 20 AEAD C[C@@H]1CC[C@]2(CC[C@H](CO)O2)C[C@H]1C 307195009 KVYHPKKZATVBQZ-KKOKHZNYSA-N 198.306 2.353 0 20 AEAD CCC1(CNC(N)=O)CCCCC1 307420010 YTUYODSHKGBWLC-UHFFFAOYSA-N 184.283 2.015 0 20 AEAD CCc1noc([C@H]2C[C@@H]2C2CC2)n1 307443599 OGGBCTUDBHTYQS-SFYZADRCSA-N 178.235 2.146 0 20 AEAD CC(C)NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 307485388 BVRZIMCAPCDVSN-LPEHRKFASA-N 198.310 2.081 0 20 AEAD C[C@H]1CC[C@@H](C)N1C(=O)C1CCC1 307582921 WUWRSPAILZZGKM-DTORHVGOSA-N 181.279 2.186 0 20 AEAD C[C@@H]1CC[C@@H](C(=O)OCCCF)C1 308298674 KXYDXCUAUOTFQK-RKDXNWHRSA-N 188.242 2.325 0 20 AEAD C/C=C\C(=O)N1CC[C@@H]2CCCC[C@@H]21 308415743 KLNQKDYILSNQFE-FZJVJALKSA-N 193.290 2.354 0 20 AEAD CCO[C@H]1CCCN([C@@H](C)CC)C1 308441520 ZBOBQNXFZBFLLW-QWRGUYRKSA-N 185.311 2.286 0 20 AEAD C[C@H](CCCCN)N[C@H]1CC=CCC1 308635286 ASDCUSQRRGKXJB-NEPJUHHUSA-N 196.338 2.202 0 20 AEAD CC[C@H](C)CNC[C@@H]1CCO[C@H](C)C1 308737984 MQOLBKNFBLOBSB-QJPTWQEYSA-N 199.338 2.437 0 20 AEAD CN(CC1CC1)C(=O)C1(C)CCCC1 334303667 CCEDFHXIHMTMLM-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CC1CC(NC[C@@H]2CC23CC3)C1 335646960 FVTCOOCUUMXODY-KYHHOPLUSA-N 165.280 2.175 0 20 AEAD CC(C)(C)C(=O)N1CC(C2CCC2)C1 335952490 AXWFHKXORWFFPM-UHFFFAOYSA-N 195.306 2.291 0 20 AEAD CCN1CCC[C@H](c2ccncc2)C1 336256504 CYTPPMUUAZXGOZ-LBPRGKRZSA-N 190.290 2.281 0 20 AEAD C[C@H]1[C@H](C)CCCN1C(=O)CC1CC1 336328827 KBSQHPDANWISQX-ZJUUUORDSA-N 195.306 2.434 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@@H]1CCSC1 388277620 WYPCKHADEKQXTA-KXUCPTDWSA-N 185.336 2.128 0 20 AEAD CC(C)(CO)CCNC1CC(C)(C)C1 395167489 DMKRQDQXXLPUTP-UHFFFAOYSA-N 199.338 2.173 0 20 AEAD CCC[C@@H]1CCCN1C(=O)NC(C)C 396933367 ZEVXSOXXCRCGPY-SNVBAGLBSA-N 198.310 2.369 0 20 AEAD CC[C@H](C)CSCc1cnn[nH]1 590726753 QCICKHFCVNCGQV-ZETCQYMHSA-N 185.296 2.084 0 20 AEAD CCCN(C)C(=O)NC[C@H]1CC1(C)C 602323952 GKXCYOBRBFYWKN-SECBINFHSA-N 198.310 2.084 0 20 AEAD CCN(Cc1csc(C)n1)C1CC1 605705888 QYKNHTWYKDXEMI-UHFFFAOYSA-N 196.319 2.436 0 20 AEAD COCCN(C)c1cc(C)ccc1C 614354893 OZMLMIYXHRCOAT-UHFFFAOYSA-N 193.290 2.386 0 20 AEAD CC[C@H](C)N[C@@H]1CCC[C@H]1F 616581220 JZJSJPIFSFJYFL-DJLDLDEBSA-N 159.248 2.265 0 20 AEAD O=C(CC1CCC1)N1CC[C@H]2C[C@H]2C1 619356521 PSAJDVYHGAFECL-QWRGUYRKSA-N 193.290 2.045 0 20 AEAD CCc1ccc(CN2C[C@@H]3C[C@H]3C2)o1 628408890 IMMZERPICCQMKL-UWVGGRQHSA-N 191.274 2.294 0 20 AEAD CC1(C)C[C@@H]1NC(=O)CCCC1CC1 643165817 MZIKOXMBHLPZBS-JTQLQIEISA-N 195.306 2.481 0 20 AEAD CC(C)CCN1CC[C@@H](CCCO)C1 648874538 SLMDSIBMAIEVLP-GFCCVEGCSA-N 199.338 2.127 0 20 AEAD c1cc(CNC2(C3CCC3)CC2)c[nH]1 651959307 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PMDWIRRNBRHBKS-SECBINFHSA-N 179.263 2.011 0 20 AEAD CC[C@H](F)Cn1cnc(C)c1C 307006481 FZICUQBMZXEKOH-VIFPVBQESA-N 170.231 2.248 0 20 AEAD CCO[C@@H](C)C(=O)Nc1ccsc1 307301066 XBDCLYIRKGSFMG-ZETCQYMHSA-N 199.275 2.112 0 20 AEAD CCCc1nc(-c2ccco2)no1 307536470 ISSBQPBDHPDJFI-UHFFFAOYSA-N 178.191 2.282 0 20 AEAD C/C=C/COC(=O)CSC(F)F 307947354 KVOLCCOWRSZZGB-NSCUHMNNSA-N 196.218 2.062 0 20 AEAD CC[C@H](N[C@@H](C)[C@H](C)OC)C1CC1 308224943 MPINDJXHIGEJRN-QXEWZRGKSA-N 185.311 2.188 0 20 AEAD C=CC(=O)NCC(C)(C)C(C)(C)C 308289577 FPFJBZPDKJIRCG-UHFFFAOYSA-N 183.295 2.361 0 20 AEAD CC[C@H](C)CC(=O)OC[C@H](C)OC 308304662 NTACKFPKYJWKQI-IUCAKERBSA-N 188.267 2.001 0 20 AEAD CCC(=O)NCC1(C2CC2)CCC1 308321975 ZFNUITPAOGPEMK-UHFFFAOYSA-N 181.279 2.093 0 20 AEAD CC[C@@H](NC[C@@](C)(O)CC)C1CCC1 322476119 QXDOSFPVKCFMJQ-NEPJUHHUSA-N 199.338 2.316 0 20 AEAD Cc1ccc(C(=O)N(C)CC(C)C)o1 334456397 HIEGJRQWIZSDBD-UHFFFAOYSA-N 195.262 2.316 0 20 AEAD CC(C)[C@H](C)C(=O)Nc1cccnc1 334466331 DCBMQYPUHCEFEX-VIFPVBQESA-N 192.262 2.312 0 20 AEAD CC[C@H]1CC[C@@H](C)N1c1nnc(C)o1 335327728 AIWFTXWOXKKXBJ-APPZFPTMSA-N 195.266 2.145 0 20 AEAD C1C[C@H]2CCN(CC3CC3)[C@H]2C1 335569625 QFZRTPASEKLDRO-QWRGUYRKSA-N 165.280 2.271 0 20 AEAD Cc1cc(CS[C@@H]2CCOC2)on1 335605027 IGHYAOUNXNFEKB-SECBINFHSA-N 199.275 2.005 0 20 AEAD CC(C)c1noc(N2CC[C@@H](C)C2)n1 336173953 PGOZLPNPEBRNIF-MRVPVSSYSA-N 195.266 2.039 0 20 AEAD CCO[C@H](C)c1nc(CC(C)C)no1 349839871 XOUUXGRUNRHROH-MRVPVSSYSA-N 198.266 2.366 0 20 AEAD C/C=C\C(=O)N1CCCC[C@@H](C)C1 379369282 PORNSUHJHGQNJK-XICOKMJESA-N 181.279 2.211 0 20 AEAD C[C@@H]1C[C@H](NC/C=C\C2CC2)CCO1 382431458 KZSYMYBIRMWGSE-IRSQKABVSA-N 195.306 2.110 0 20 AEAD CN(Cc1ccon1)CC(C)(C)C 388577116 CAGNQSSMLPOYHI-UHFFFAOYSA-N 182.267 2.153 0 20 AEAD COCCCCCNC1(C2CC2)CC1 389251614 CNMPPOWMTIQLLM-UHFFFAOYSA-N 197.322 2.335 0 20 AEAD CCC[C@@H](CNc1ccccn1)OC 393477206 HAHSEWSHYUWNQK-JTQLQIEISA-N 194.278 2.309 0 20 AEAD CC(C)CC(=N)NOC1CCCC1 393578992 BFMQOVZJFGTCOL-UHFFFAOYSA-N 184.283 2.474 0 20 AEAD CC(C)(C)[C@@H]1CC[C@H](N)[C@H](F)C1 536953218 XXVHDJVILHOGBB-HLTSFMKQSA-N 173.275 2.498 0 20 AEAD O=C(O)c1cc(F)c(Cl)s1 575442300 STDFEFKLQQUYQW-UHFFFAOYSA-N 180.587 2.239 0 20 AEAD CN(CC1CCC1)C[C@@H]1CCCCO1 600711459 XYQFOXAEFVZLBK-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD COCCCCN1C[C@H]2[C@H](C1)C2(C)C 607753047 PHCAPEDFBSYBAW-QWRGUYRKSA-N 197.322 2.001 0 20 AEAD CC[C@H]1CN(CC2CCC2)C[C@@H](C)O1 608497016 QEEQGGJKLMZFQD-PWSUYJOCSA-N 197.322 2.286 0 20 AEAD CCC(C)(C)CC(=O)Nc1cc[nH]n1 608584965 XAGBWLZNPLVWAU-UHFFFAOYSA-N 195.266 2.175 0 20 AEAD C[C@@H](C(=O)N1CC[C@H]1C)C1CCC1 641247770 YJFROYUFOJWXGD-RKDXNWHRSA-N 181.279 2.043 0 20 AEAD CCOCCN(CC)Cc1ccco1 642636892 KQJJISMMOMAFEE-UHFFFAOYSA-N 197.278 2.138 0 20 AEAD C[C@H](CN1CCO[C@H]2C[C@H]21)C(C)(C)C 644837609 LIJUPMLSNRKQBL-MXWKQRLJSA-N 197.322 2.142 0 20 AEAD CC(C)O[C@@H]1CCN(CC2CCC2)C1 645944464 WDJNTOBEXXWDDL-GFCCVEGCSA-N 197.322 2.286 0 20 AEAD CC(C)[C@@H]1C[C@H]1CN[C@H]1CO[C@@H](C)C1 647215108 IASMVXZRIOUIAJ-YFKTTZPYSA-N 197.322 2.046 0 20 AEAD C[C@@H](C(=O)NCC1CCC1)C1CCC1 654878638 ITYGDCSQSPEFRL-SECBINFHSA-N 195.306 2.339 0 20 AEAD C[C@H]1CCN(CC2CC=CC2)C1 659867526 LMQARNXAADAEEG-JTQLQIEISA-N 165.280 2.294 0 20 AEAD C[C@@H](O)[C@H]1CCCN1CCC(C)(C)C 661766412 YEMIKPCJEFCOMM-GHMZBOCLSA-N 199.338 2.268 0 20 AEAD O=C(NC1CCCC1)C1CC2(CC2)C1 665130819 JFLDCCUWWVBNQK-UHFFFAOYSA-N 193.290 2.235 0 20 AEAD CC[C@H](C)NC(=O)N1CC[C@H](C)[C@H]1C 674408613 FFSLTJHHYMFXEB-LPEHRKFASA-N 198.310 2.225 0 20 AEAD CC(C)CO[C@@H]1CCN(CC(C)C)C1 675249493 FOHULDLVGNVXJZ-GFCCVEGCSA-N 199.338 2.389 0 20 AEAD C[C@@H]1CC[C@@H](CN(C)CCC2CC2)O1 682766786 CFMXSGKJIAWOTR-PWSUYJOCSA-N 197.322 2.286 0 20 AEAD CCCONC(=O)c1sccc1C 686762752 NOPBUAMFXVBVCH-UHFFFAOYSA-N 199.275 2.128 0 20 AEAD Cc1ccoc1COC(=O)C1CCC1 816101061 DSKJOBDIDAHGLK-UHFFFAOYSA-N 194.230 2.431 0 20 AEAD CC[C@@H](C)CCC(=O)N1CC2(CC2)C1 833316855 LURVVHRKOQREHE-SNVBAGLBSA-N 195.306 2.435 0 20 AEAD O=C(C[C@H]1CCCO1)OC1CCCC1 844268944 PKOSBILWEMZORR-SNVBAGLBSA-N 198.262 2.041 0 20 AEAD CCc1nocc1CN[C@H]1C=CCC1 850359803 RMIHLJYOBMYFDK-JTQLQIEISA-N 192.262 2.045 0 20 AEAD CCC/C=C/C(=O)NOCC1CCC1 856342329 QOZCOYSKLVTDHP-XBXARRHUSA-N 197.278 2.191 0 20 AEAD CCCOC(=O)N[C@H]1CCC[C@@H]2C[C@H]12 859187049 UYNIAWIERMKVED-UTLUCORTSA-N 197.278 2.311 0 20 AEAD CC[C@@H](OC(=O)CCC1CC1)C(C)=O 873358341 DRBQVHDPYZOGDG-SNVBAGLBSA-N 198.262 2.087 0 20 AEAD CC(C)(C)CC(=O)OCc1ccno1 919722285 JREZZPQCHCONPY-UHFFFAOYSA-N 197.234 2.154 0 20 AEAD C/C(=C/C(=O)NOC(C)C)C(C)(C)C 1324558082 HSOONMNBKOZQIW-CLFYSBASSA-N 199.294 2.435 0 20 AEAD CC(C)=CCN(C)C(C)(C)CC(=O)O 1590920833 GNUIHAOFGCLIPK-UHFFFAOYSA-N 199.294 2.138 0 20 AEAD CC[C@@H]1CCN(C[C@H](O)C(C)C)[C@@H]1C 1642791531 NMSYWLMTNLMAQG-UTUOFQBUSA-N 199.338 2.124 0 20 AEAD CC(C)c1nccn1[C@H]1CC[C@]1(C)O 1898196775 SOVIEPPSEIKOBP-ONGXEEELSA-N 194.278 2.092 0 20 AEAD O[C@@]1(c2ccc(F)cc2)CC[C@H]1F 1898243478 FWTCIINMPCKQRW-NXEZZACHSA-N 184.185 2.145 0 20 AEAD COCCCN[C@H](C)c1ccc(C)o1 20142431 JEPGMVZJLUJBEX-SNVBAGLBSA-N 197.278 2.275 0 20 AEAD CSCC(=O)Cc1ccc(F)cc1 38064035 CHTZXLYBSICJGX-UHFFFAOYSA-N 198.262 2.300 0 20 AEAD CCCNc1cc(C)nc(Cl)n1 38292893 AGRLYCZKAKXAQZ-UHFFFAOYSA-N 185.658 2.260 0 20 AEAD C[C@H](C(N)=O)c1ccc2ccccc2c1 39408261 LSCLMFCCLLMYML-VIFPVBQESA-N 199.253 2.429 0 20 AEAD COC(=O)C[C@@H](C)c1ccc(F)cc1 41207271 BHMORYYPEXXZFS-MRVPVSSYSA-N 196.221 2.492 0 20 AEAD in-vitro CCC[C@H](C)N[C@@H](C)CCOC 45017384 DEYUAADVGMHLBE-UWVGGRQHSA-N 173.300 2.190 0 20 AEAD CC[C@@H](O)CN(C)c1cccc(C)c1 49988256 CCOLAYPBJNWNKV-GFCCVEGCSA-N 193.290 2.202 0 20 AEAD CC(C)(c1ccccc1)C1(O)CC1 54346269 ZMOMFUGABUQMMU-UHFFFAOYSA-N 176.259 2.489 0 20 AEAD O=C(O)c1csc2cccc(O)c12 60044425 ANGLNCLBLZFRFK-UHFFFAOYSA-N 194.211 2.305 0 20 AEAD CCCC(=O)N(C)Cc1ccoc1 70227535 ODTLDUIDOHMQPC-UHFFFAOYSA-N 181.235 2.038 0 20 AEAD Cc1nccc(N[C@@H]2CCC[C@H]2C)n1 70832834 XWVGCFNEGIMIRH-PSASIEDQSA-N 191.278 2.386 0 20 AEAD C[C@H](CN)c1ccc2ccccc2n1 77990693 SGJHMWKCIPXADH-SECBINFHSA-N 186.258 2.297 0 20 AEAD C[C@@H]1CCCCN1C(=O)c1ccc[nH]1 82257556 GKWIFEHJUFRTEM-SECBINFHSA-N 192.262 2.029 0 20 AEAD C1=C(c2ccsc2)CCNC1 83447145 PFHUXTMIRPNHQI-UHFFFAOYSA-N 165.261 2.125 0 20 AEAD COCCNC[C@@H](C)C1CCCCC1 84327935 MVGINOHFKKYSTM-LLVKDONJSA-N 199.338 2.439 0 20 AEAD COC[C@H](C)CN[C@@H]1CCCC1(C)C 86857188 FMJLEGQWHVZTRC-GHMZBOCLSA-N 199.338 2.437 0 20 AEAD CCCOC(=O)[C@@H]1CCCCS1 87681043 WRKVTUJGPPOKTK-QMMMGPOBSA-N 188.292 2.225 0 20 AEAD C[C@H](NCCC1CC1)C1CCOCC1 130301658 RXZNTYLCGYNWAC-JTQLQIEISA-N 197.322 2.191 0 20 AEAD CNCc1ccc(C(F)F)cc1 150047129 PXMPXKYNHMBIOM-UHFFFAOYSA-N 171.190 2.344 0 20 AEAD CCNCC1=Cc2ccccc2OC1 163910985 KGVHNCYOCXXEBF-UHFFFAOYSA-N 189.258 2.072 0 20 AEAD CO[C@H](C)CN[C@@H]1CCC[C@@H](C)[C@H]1C 166993818 JGRVCFHKOGIXFX-DDHJBXDOSA-N 199.338 2.436 0 20 AEAD CCC(CC)[C@H](O)CN[C@@H](C)CC 167507850 IROTTWXIQTZHLW-GXSJLCMTSA-N 187.327 2.172 0 20 AEAD CCN1C[C@H]2CCCC[C@@H]2C1 196280408 ITHSVKJVEIEVPC-NXEZZACHSA-N 153.269 2.128 0 20 AEAD CC(=O)Nc1cccc(C)c1F 196437918 XLBMIRAPQUEWIA-UHFFFAOYSA-N 167.183 2.093 0 20 AEAD CCCCC(=O)N(C)CC(C)C 198766587 MAWQBRRJEYRQTB-UHFFFAOYSA-N 171.284 2.291 0 20 AEAD CN(Cc1ccccn1)C(C)(C)C 202538923 LWKQETIGTRMZCY-UHFFFAOYSA-N 178.279 2.312 0 20 AEAD CCCCCN(C)[C@@H]1CCC[C@H]1O 226275954 NGKUQFWZIVWJMI-GHMZBOCLSA-N 185.311 2.022 0 20 AEAD CCC(=O)NCC1(CC)CCC1 227764508 SNWJJZWLOIOPBY-UHFFFAOYSA-N 169.268 2.093 0 20 AEAD CC[C@H](C)C(=O)OCCCSC 231142099 MGNZAJRJRDKRMC-QMMMGPOBSA-N 190.308 2.329 0 20 AEAD C[C@H](N)CN(C)[C@H](C)c1cccs1 251145554 XGDVJTFHWHACGR-DTWKUNHWSA-N 198.335 2.088 0 20 AEAD CC(C)C(C)(C)CN[C@H]1CCC[C@@H]1N 258924677 JAVIETIAJJMJNC-QWRGUYRKSA-N 198.354 2.138 0 20 AEAD CC(C)C[C@@H](C)CN[C@H]1CCOC1 300832492 CDUJEYYEGHAADB-MNOVXSKESA-N 185.311 2.047 0 20 AEAD Cc1cccc(NCC[C@H](C)O)c1F 300994126 VWXVPBMXJAPJLM-VIFPVBQESA-N 197.253 2.317 0 20 AEAD C[C@@H](C(=O)NC1CC1)c1ccsc1 306152564 BBPBWXYQWXBGJL-SSDOTTSWSA-N 195.287 2.130 0 20 AEAD CC[C@@]1(C)C[C@H]1c1nc(C)no1 306279101 YAJOSAJMUSJUCA-CBAPKCEASA-N 166.224 2.282 0 20 AEAD C[C@@H](N[C@H]1CC[C@H](O)CC1)C1CCC1 306646615 FJPAGWRJYBERBR-YUSALJHKSA-N 197.322 2.068 0 20 AEAD CC[C@@H](NC(C)=O)C1CCCC1 306784456 MDNNXLGSRNMZGJ-SNVBAGLBSA-N 169.268 2.091 0 20 AEAD C[C@@H]1NCCN(CCC(C)(C)C)[C@@H]1C 307237985 OQDFESZTSKXNOP-WDEREUQCSA-N 198.354 2.105 0 20 AEAD CC1(Cn2ccccc2=O)CCC1 307350701 JBBWOUOVLYOQJB-UHFFFAOYSA-N 177.247 2.039 0 20 AEAD CC[C@@H](F)CN1CCC=C(C)C1 307524567 DBBVPYBQAMAGMR-SNVBAGLBSA-N 171.259 2.387 0 20 AEAD c1c[nH]c(SCCC2CC2)n1 307671286 SPIKYLGJIGGYOG-UHFFFAOYSA-N 168.265 2.302 0 20 AEAD CS/C=C/C(=O)OCCC1CC1 307941589 YJQMFHBEWDWRSL-FNORWQNLSA-N 186.276 2.206 0 20 AEAD CC(C)[C@H](F)C(=O)O[C@H](C)C1CC1 308133464 CLQFGJOHBWXDSW-APPZFPTMSA-N 188.242 2.322 0 20 AEAD C[C@H]1CC[C@@H](CC(=O)OCCF)C1 308271223 SAKDQXQWKJZSNW-DTWKUNHWSA-N 188.242 2.325 0 20 AEAD O=C(OCC1CC1)[C@H]1CC12CCC2 308395273 CYYWGIPQZKNIFU-SECBINFHSA-N 180.247 2.130 0 20 AEAD C[C@@H](NC[C@@]1(C)CCCO1)C1CCC1 308645562 HKBPSGYNDDRLIB-ZYHUDNBSSA-N 197.322 2.334 0 20 AEAD CO[C@@H](C)CN[C@H](C1CC1)C(C)(C)C 324195139 ZVWDGYTVVJDRIC-GXSJLCMTSA-N 199.338 2.436 0 20 AEAD CN(CC1CCC1)C(=O)[C@H]1CC1(C)C 334251615 KOIBCMXLYDHWDU-SNVBAGLBSA-N 195.306 2.291 0 20 AEAD CCCc1noc([C@H]2CC2(F)F)n1 334528432 KAZFVODGHPNOSM-RXMQYKEDSA-N 188.177 2.145 0 20 AEAD CC1(C)C[C@H]1NCc1ccncc1F 334652125 JGAZJLVGURKCGH-SNVBAGLBSA-N 194.253 2.109 0 20 AEAD Cc1occc1CN(C)C1CC1 334853907 ADLZYYSKUNIUBQ-UHFFFAOYSA-N 165.236 2.182 0 20 AEAD CC(C)=CCNC(=O)[C@H]1CC=CCC1 335347419 MAMLJZSTOVLJQR-NSHDSACASA-N 193.290 2.425 0 20 AEAD C[C@H]1CC[C@H](C)N1Cc1ccn(C)c1 335866586 XEMXBGISFLQVKT-QWRGUYRKSA-N 192.306 2.398 0 20 AEAD C[C@H]1C[C@H](C)CN(Cc2ccno2)C1 335941791 BYZQYZGAFPVCIP-UWVGGRQHSA-N 194.278 2.153 0 20 AEAD O=C(NC1CC1)[C@H]1CC12CCCCC2 336067756 CJDJQLRUPKWTSB-SNVBAGLBSA-N 193.290 2.235 0 20 AEAD C[C@H]1CCCC[C@@H]1CC(=O)N1CCC1 336319812 VKWXDJBIIRUFSR-WDEREUQCSA-N 195.306 2.435 0 20 AEAD CC/C(C)=C(/C)C(=O)NCC1CC1 379379415 AYDLXNNUACUWTM-HJWRWDBZSA-N 181.279 2.259 0 20 AEAD 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2.226 0 20 AEAD CCCCN(CC)c1cncc(C)n1 680827468 YADHDKDWNBFICQ-UHFFFAOYSA-N 193.294 2.411 0 20 AEAD CCN(C[C@@H]1CCOC1)C[C@@H]1C[C@H]1C 683109670 IWGCWEPPMJFNDV-WOPDTQHZSA-N 197.322 2.001 0 20 AEAD CC[C@@](C)(CN[C@H]1C=CCC1)OC 700505420 PSEBBCULONQTLJ-QWRGUYRKSA-N 183.295 2.110 0 20 AEAD CCCCC(=O)NC[C@H]1C=CCC1 711743326 MJOLSGVJVNMOQZ-JTQLQIEISA-N 181.279 2.259 0 20 AEAD C/C=C\COC(=O)/C=C\c1ccc[nH]1 782333367 SHYAECNGEPVPLZ-QPHZJVINSA-N 191.230 2.147 0 20 AEAD CC[C@H](C)C[C@H](CO)N[C@@H]1CC[C@H]1C 842913650 CUBOIGDOPYAZPG-IRCOFANPSA-N 199.338 2.172 0 20 AEAD O=C(/C=C/C1CCCC1)NCCCF 843832435 MFADJZMLKULCOG-VOTSOKGWSA-N 199.269 2.209 0 20 AEAD O=C(OCC1CC1)C1CC2(CC2)C1 850213655 AIIRFFXMHDBAQJ-UHFFFAOYSA-N 180.247 2.130 0 20 AEAD CC[C@@H](C)CONc1ncc(C)cn1 853643208 YYFHGFUPLKWUNE-MRVPVSSYSA-N 195.266 2.175 0 20 AEAD CCN(CCF)[C@@H](C)C(F)(F)F 879357324 XPLXCJVCFFZVTA-LURJTMIESA-N 187.180 2.229 0 20 AEAD CCCCNCCCCN(C)C1CC1 906532000 VBPJJMQQSSWVGH-UHFFFAOYSA-N 198.354 2.251 0 20 AEAD O=C(CC1CCC1)N[C@@H]1CC12CCC2 1119117067 ZMTOQRPVJHFQBN-SNVBAGLBSA-N 193.290 2.235 0 20 AEAD C[C@]1(O)CC[C@@H]1Oc1ccccc1F 1898196399 AXPXJIFUOQNETQ-QWRGUYRKSA-N 196.221 2.118 0 20 AEAD CC[C@@H](C)C(=O)N1CCCC[C@@H]1C 5593188 IGINWNAFVNTLQQ-ZJUUUORDSA-N 183.295 2.434 0 20 AEAD CNc1ncc(-c2ccccc2)o1 32131280 HPOLFZSTLYOLQC-UHFFFAOYSA-N 174.203 2.383 0 20 AEAD Cc1c(C2CCCCC2)n[nH]c1N 36936002 ZXZNMBCUCVAVPE-UHFFFAOYSA-N 179.267 2.348 0 20 AEAD CC(C)CC[C@@H](C)NCCCCN 37715069 FJRJMMMWLJAVBS-LLVKDONJSA-N 186.343 2.140 0 20 AEAD Cc1nnc(-c2cccc(F)c2)o1 40350562 ZTWGRUAAIIJIIJ-UHFFFAOYSA-N 178.166 2.184 0 20 AEAD CC[C@H](C)[C@H](C)Nc1cnccn1 42557301 PYQQMAMJXLQEPJ-IUCAKERBSA-N 179.267 2.323 0 20 AEAD CC(C)CCN[C@H]1CC1(C)C 44370888 VMWUUVNWECAGHM-VIFPVBQESA-N 155.285 2.421 0 20 AEAD CCOC1(CNC(C)C)CCCC1 50482120 ZOBMTLHGLDJDRR-UHFFFAOYSA-N 185.311 2.334 0 20 AEAD CCC[C@@H](C)NC1CCC(N)CC1 51693490 XSJOUCADDPHTLD-KPPDAEKUSA-N 184.327 2.035 0 20 AEAD CC[C@@H](C)[C@@](C)(O)CNCC(C)C 55029919 LZPQHGHVAOONPB-MNOVXSKESA-N 187.327 2.029 0 20 AEAD CCC[C@H](C)N[C@@H](C)c1nccn1C 70007245 AHYPPROEIJDLDP-UWVGGRQHSA-N 195.310 2.259 0 20 AEAD CC[C@@H](COC)Nc1cccc(F)n1 70659621 DYCRFQIVPUKXAF-QMMMGPOBSA-N 198.241 2.058 0 20 AEAD CCCCN(C)C(=O)C1CCCC1 74927516 ILYRBGWZFLTSSQ-UHFFFAOYSA-N 183.295 2.435 0 20 AEAD CC(C)CCCn1cccn1 81135519 UCYVTIRRESHDMV-UHFFFAOYSA-N 152.241 2.319 0 20 AEAD CCC[C@@H](O)CN(C)CC1CCCC1 82492672 RHXJEQQNQGKLAX-GFCCVEGCSA-N 199.338 2.269 0 20 AEAD CC(C)[C@H](C)N[C@H]1CCCOCC1 83424864 NKVYGQISXCZYIQ-QWRGUYRKSA-N 185.311 2.190 0 20 AEAD O[C@H]1CCC[C@@H]1c1ccsc1 83452696 GHAOPMXNDWAUFS-BDAKNGLRSA-N 168.261 2.377 0 20 AEAD CCC[C@H](CC)NC[C@H]1CCCNC1 87647072 DMNLRRPMYKJIJB-RYUDHWBXSA-N 198.354 2.154 0 20 AEAD C[C@@H](CCO)CN[C@@H]1CCC(C)(C)C1 87772261 HHIOCQWHKODBDZ-WDEREUQCSA-N 199.338 2.173 0 20 AEAD CCCC(CCC)N[C@H]1CCOC1 87783321 YJKQBLJSDBXDMK-NSHDSACASA-N 185.311 2.334 0 20 AEAD CCOC(=O)c1cccc(OC)c1C 95726854 BPRNAMDJLZPERJ-UHFFFAOYSA-N 194.230 2.180 0 20 AEAD CN(Cc1cccc(N)c1)C1CCC1 122290647 YBPZVWDZSIDOFI-UHFFFAOYSA-N 190.290 2.253 0 20 AEAD Cc1nc2c(n1CCCF)CCCC2 124065447 OLDVRJYGGTVDTB-UHFFFAOYSA-N 196.269 2.430 0 20 AEAD CC(C)[C@H](N)CN[C@H]1CCC(C)(C)C1 129585253 IRSIHBZMKNQAEJ-WDEREUQCSA-N 198.354 2.138 0 20 AEAD C[C@H](CCCO)N[C@H](C)CC1CCC1 157206403 BACHEJJSPVOYOE-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CNC(=S)Nc1cc(C)cc(F)c1 158621639 FFZMKKLKQMXUCI-UHFFFAOYSA-N 198.266 2.050 0 20 AEAD C[C@H](NC1CC=CC1)c1ccccn1 160896607 KVWDWXPXCMSGFQ-JTQLQIEISA-N 188.274 2.451 0 20 AEAD CC[C@H]1CCC[C@@H]1NCC(C)(C)CO 161909100 PZDOTMLQPNTRQI-QWRGUYRKSA-N 199.338 2.173 0 20 AEAD COC[C@H](C)NCC1(C(C)C)CC1 165583764 SHRUWZALZAJLQA-JTQLQIEISA-N 185.311 2.047 0 20 AEAD C[C@@H](NC1CCC(O)CC1)C1CCC1 221697419 FJPAGWRJYBERBR-OIKLOGQESA-N 197.322 2.068 0 20 AEAD CCNC(=O)[C@@H]1CCCCC1(C)C 226622766 XHBAIWDEOYDESZ-VIFPVBQESA-N 183.295 2.339 0 20 AEAD C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1O 229584578 RVVOAEHOHKIZKU-WRWGMCAJSA-N 197.322 2.068 0 20 AEAD CC(C)[C@H]1CCC[C@H](NCCCO)C1 230987362 LCJOIOSNECLQNY-RYUDHWBXSA-N 199.338 2.173 0 20 AEAD CCC[C@@H](C)n1cc([C@@H](O)CC)nn1 233286482 QLIKGSWMTSSCEA-SCZZXKLOSA-N 197.282 2.083 0 20 AEAD C[C@H](O)CCN[C@@H]1C[C@H](C)CC[C@@H]1C 252175390 RWWZDIVZBVUKBL-NOOOWODRSA-N 199.338 2.172 0 20 AEAD N[C@@H]1CCC[C@H]1NCC1CCCCC1 258918061 IPESRPRFSIJTSD-VXGBXAGGSA-N 196.338 2.036 0 20 AEAD CC(C)(C)CCCN1CC[C@](C)(O)C1 300783720 VDLJMVKCQGZHKE-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD COCCCNC[C@H](C)CC(C)C 300993091 VWNFPNGHSHAZGH-LLVKDONJSA-N 187.327 2.295 0 20 AEAD C[C@H]1CCN(CCCF)CC1(F)F 306324330 VXUOBWQMYLNKJR-QMMMGPOBSA-N 195.228 2.323 0 20 AEAD C[C@H]1CCC[C@@H]1CC(=O)NC1CC1 306968876 RISLXNJXTWPKIH-DTWKUNHWSA-N 181.279 2.091 0 20 AEAD CC1CCC2(CC1)CC[C@H](CO)O2 307184143 ASAZNCKCTWPAFP-HSOILSAZSA-N 184.279 2.107 0 20 AEAD C/C=C/C(=O)NC1(CC)CCCC1 307244558 UVYGALKFXQHNHL-XVNBXDOJSA-N 181.279 2.402 0 20 AEAD CC[C@H](C)NC1(C2CC2)CC1 307632256 BDWJEILZVKOCOT-QMMMGPOBSA-N 153.269 2.317 0 20 AEAD CCCSC[C@@H](C)OC 307745567 SIBAANGZYGQCNJ-SSDOTTSWSA-N 148.271 2.165 0 20 AEAD C/C=C\C(=O)N1[C@@H](CC)CC[C@H]1C 308076725 WFIPBHTVPMDDIP-ZUJXDTADSA-N 181.279 2.352 0 20 AEAD CCCN(C)C(=O)CCC(C)(F)F 308215337 JBNNROJDWWUFNT-UHFFFAOYSA-N 193.237 2.290 0 20 AEAD COCC1(NCCC(C)(C)C)CC1 308270318 RSOIRMLNAPAPMO-UHFFFAOYSA-N 185.311 2.191 0 20 AEAD C[C@@H](CCCN)N[C@H]1CCC[C@@H](C)C1 308467140 AHHDOJXDRSWTDZ-WOPDTQHZSA-N 198.354 2.282 0 20 AEAD CN(CCC1CC1)C(=O)CC1CC1 308480346 NBKSCYCDJCRUDI-UHFFFAOYSA-N 181.279 2.045 0 20 AEAD C[C@@H](NCc1ccco1)c1ccc[nH]1 308510397 KQQRHBFPFAYOTL-SECBINFHSA-N 190.246 2.459 0 20 AEAD CC[C@H](NCC=C(C)C)[C@@H]1CCOC1 308565630 YEHHWEDTTXSPEQ-NEPJUHHUSA-N 197.322 2.357 0 20 AEAD CCC(C)(C)CNCc1cc(C)n[nH]1 308577585 FCQHPHLTVIBIGY-UHFFFAOYSA-N 195.310 2.244 0 20 AEAD C[C@@H](NC[C@H](C)C1CC1)c1ncc[nH]1 308653744 MQEBHUNCMKZOOC-DTWKUNHWSA-N 193.294 2.106 0 20 AEAD CC[C@H]1CCCN1Cc1ccn(C)c1 335320013 WKNDUZREARGGMY-LBPRGKRZSA-N 192.306 2.400 0 20 AEAD CCC[C@H](C(=O)NOCC)C(C)C 379353808 GJZQQMIWILAVKB-VIFPVBQESA-N 187.283 2.126 0 20 AEAD COC[C@H](C)N[C@H]1CC=C(C)CC1 379395150 YRFFQTSMZVLPFW-QWRGUYRKSA-N 183.295 2.110 0 20 AEAD COC[C@@H](N[C@H]1CCC1(C)C)C1CC1 379537868 MSIOQGMXCKJVNV-MNOVXSKESA-N 197.322 2.190 0 20 AEAD Cc1nocc1CN[C@@H](C)CC1CC1 382071804 GEDXLQUIAJPISD-QMMMGPOBSA-N 194.278 2.261 0 20 AEAD CCC/C=C\C(=O)Nc1nccs1 388288689 TUAIFWUALPOIGV-PLNGDYQASA-N 196.275 2.438 0 20 AEAD CCN(C)C(=O)N[C@@H]1C[C@H]1CC(C)C 395114751 QOROENHJDLAGDA-NXEZZACHSA-N 198.310 2.082 0 20 AEAD CC/C=C\CN[C@H](C)c1ccncn1 395974435 NZRPCRPGDPEYCA-UMCURTJPSA-N 191.278 2.093 0 20 AEAD CCCCCN1[C@H](C)CN[C@H](C)[C@H]1C 401317382 DHVAWTWTOKSXLH-IJLUTSLNSA-N 198.354 2.247 0 20 AEAD CC[C@H](CS[C@@H](C)COC)OC 591385756 CMPYFSWTBYNQGN-DTWKUNHWSA-N 192.324 2.180 0 20 AEAD CCSCc1cn(C(C)(C)C)nn1 596330775 USQJKIDOABLIBA-UHFFFAOYSA-N 199.323 2.286 0 20 AEAD CSCC[C@@H](C)N(C)CC1CC1 610787410 ABOGGAWWNRYFGL-SECBINFHSA-N 187.352 2.470 0 20 AEAD CC(C)CC(=O)NCCC(C)(C)F 618401958 OMQRPEKHGIUHHV-UHFFFAOYSA-N 189.274 2.287 0 20 AEAD CC[C@@H]1CCCC[C@@H]1NCC[C@H](C)N 622045180 FVFHTSHVBMKGGR-TUAOUCFPSA-N 198.354 2.282 0 20 AEAD CC[C@](C)(CNC1(C2CC2)CC1)OC 638736600 NWXFVPNPGOVDBN-LLVKDONJSA-N 197.322 2.334 0 20 AEAD COC1(CN2CC(C)(C)C2)CCCC1 639393370 KTRINGLQRRXSQN-UHFFFAOYSA-N 197.322 2.287 0 20 AEAD CC[C@H](C)N1CCC[C@@](O)(CC)C1 640036238 QMVWQPJYSUAUPP-QWRGUYRKSA-N 185.311 2.022 0 20 AEAD CCC(CC)NC(=O)[C@]12CCC[C@H]1C2 643298488 DPMGMBAHLGQOIK-CABZTGNLSA-N 195.306 2.481 0 20 AEAD CC[C@@H](N)CN[C@H](CC)C1CCCC1 643540714 DPMCCFZTJNIZLB-VXGBXAGGSA-N 198.354 2.282 0 20 AEAD CC1(COCc2ncc[nH]2)CCC1 645077126 AGLDZXQKLYLNRK-UHFFFAOYSA-N 180.251 2.117 0 20 AEAD CC/C=C/CCN1CCC[C@@H](O)CC1 645268037 FTVWDUIVDXCVOL-AAOUONPWSA-N 197.322 2.190 0 20 AEAD CC(C)C1(NC(=O)[C@H](C)C2CC2)CC1 647292256 FQKRNKFOLDSTMZ-SECBINFHSA-N 195.306 2.337 0 20 AEAD CCc1cnc(CN(C)C(C)(C)C)o1 647908356 VMGCEJWNLDUSGO-UHFFFAOYSA-N 196.294 2.467 0 20 AEAD CC[C@@H]1C[C@H]1CNCC(C)(C)COC 648732005 OXNAZRYVHSNOIK-MNOVXSKESA-N 199.338 2.295 0 20 AEAD CC[C@@H](C(=O)O)N(C)CCC=C(C)C 659794398 BKHOCWGSWRPKQR-JTQLQIEISA-N 199.294 2.138 0 20 AEAD CCCN(CCO)CCCC1CCC1 659841764 UPZFYQYCKAQJMN-UHFFFAOYSA-N 199.338 2.271 0 20 AEAD C[C@@H](CCCCN)NCC1=CCCC1 665274619 UPPHBQGIERMCMC-NSHDSACASA-N 196.338 2.204 0 20 AEAD COC[C@@H](C)N1CC[C@@H](C2CCC2)C1 665286384 KMEDWGKWNYNYJT-ZYHUDNBSSA-N 197.322 2.143 0 20 AEAD C1C[C@H](CN2CC[C@@H]3C[C@@H]3C2)CS1 668677127 JSPGITBQRVZRFX-GMTAPVOTSA-N 197.347 2.081 0 20 AEAD CCOCCN1CC[C@@H](C(C)(C)C)C1 680111610 KGUKGEGGTPNLST-LLVKDONJSA-N 199.338 2.391 0 20 AEAD CC/C=C/CCN1C[C@H](C)O[C@H](C)C1 681019196 LRMSCQWBOWMZMF-MTJJXUSZSA-N 197.322 2.452 0 20 AEAD CC(C)CN1CC[C@H](C)C[C@H]1[C@H](C)O 682374064 ZRNLQTCELUGLRF-SRVKXCTJSA-N 199.338 2.124 0 20 AEAD CC(C)(C)ONC(=O)[C@H]1CC=CCC1 700595831 JGKCOPNXIYSUSX-VIFPVBQESA-N 197.278 2.189 0 20 AEAD C1=C[C@@H](CN[C@@H]2CCSC2)CC1 711762127 ZJFQHGZYESXVHQ-NXEZZACHSA-N 183.320 2.048 0 20 AEAD C[C@@H]1CC[C@H]1NC1(C)CCC1 783288009 SUKYLVOBXSTOPB-RKDXNWHRSA-N 153.269 2.317 0 20 AEAD CC[C@H](NC[C@@H](C)N)C1CCCCC1 817970917 HLEXZFQJNAFKBB-PWSUYJOCSA-N 198.354 2.282 0 20 AEAD C[C@@H](NC(=O)O)[C@H](C)c1ccccc1 825191860 AYOBINOAFUCTRL-DTWKUNHWSA-N 193.246 2.446 0 20 AEAD CCC/C=C/C(=O)Nc1cc(C)on1 849205681 OHHABNHSRZCBIG-AATRIKPKSA-N 194.234 2.278 0 20 AEAD O=C(NCC1CC=CC1)OCC1CC1 859275457 LOWUOFNDIVWZTN-UHFFFAOYSA-N 195.262 2.089 0 20 AEAD CC[C@H](C)C[C@H](CC)NCC1(N)CC1 902415018 JNDHJOQRAJRHTA-QWRGUYRKSA-N 198.354 2.282 0 20 AEAD C[C@@H]1CC[C@H](CC(=O)N2CC=CC2)C1 910009348 NVUBVADBUNGCFZ-MNOVXSKESA-N 193.290 2.211 0 20 AEAD CC[C@H](C)N1CC[C@@](CO)(C(C)C)C1 1323918007 OWZPZNYGIJHERQ-NWDGAFQWSA-N 199.338 2.125 0 20 AEAD CCC[C@H](C)N1C[C@H]2[C@H](C1)C2(F)F 1326710950 WEYYJTSYYXQQAQ-CIUDSAMLSA-N 189.249 2.372 0 20 AEAD CC[C@@H](C)CN(C)C(=O)[C@H](F)CC 1337077091 RHNSBFCTFXSEPP-RKDXNWHRSA-N 189.274 2.239 0 20 AEAD O=C1CCCCc2c1ccc(O)c2F 1690107117 PYXULTGCTMIROU-UHFFFAOYSA-N 194.205 2.440 0 20 AEAD C[C@@H](N[C@H]1CCSC1)c1ccco1 35136944 TVYPUGCZGZRDKQ-BDAKNGLRSA-N 197.303 2.436 0 20 AEAD NCc1ccccc1-c1ccccn1 37593955 VUZGGOOCZBZKGP-UHFFFAOYSA-N 184.242 2.207 0 20 AEAD CCC(CC)CN1CCC[C@H](CN)C1 44527841 KPPMOGKXPLJLKZ-GFCCVEGCSA-N 198.354 2.093 0 20 AEAD Cn1ccc(NCC2CCCC2)n1 50271916 FLAYHFQAQINHRV-UHFFFAOYSA-N 179.267 2.022 0 20 AEAD CCC[C@@H](CC)NCc1c[nH]cn1 54765310 KDGABEQHHZJMLH-SECBINFHSA-N 181.283 2.078 0 20 AEAD CCC1(C)CCN([C@H](C)[C@H](C)O)CC1 62955604 VFGGWRQQHPZTRJ-MNOVXSKESA-N 199.338 2.268 0 20 AEAD CCN(CC1CC1)C(=O)c1ccco1 78434664 PBIOPXXVEMZJRG-UHFFFAOYSA-N 193.246 2.152 0 20 AEAD C[C@H](CN)CCc1ccsc1 78533646 WBQZYPCRECTKHY-QMMMGPOBSA-N 169.293 2.276 0 20 AEAD C[C@@H](NC(=O)C1CC1)c1ccsc1 81561397 XSBXQCQLRXTLKB-SSDOTTSWSA-N 195.287 2.335 0 20 AEAD CC(C)[C@@H]1CCCN1CCCCCO 82383812 DWPDRQBAIFOWQQ-LBPRGKRZSA-N 199.338 2.269 0 20 AEAD CC1(C)C(=O)Nc2ccc(F)cc21 82587925 ODQPSSNQVNVDRZ-UHFFFAOYSA-N 179.194 2.055 0 20 AEAD COC[C@H](C)CN[C@H]1CCC[C@H]1C 83391091 KBYJXDQUYBEGAI-MXWKQRLJSA-N 185.311 2.047 0 20 AEAD NC1(CCc2cccs2)CC1 84331284 IERIJGGZPGVBRE-UHFFFAOYSA-N 167.277 2.172 0 20 AEAD CC[C@H](C)[C@H](C)NC[C@@H](C)CCO 85127030 JCZVIVZYLGRSFZ-DCAQKATOSA-N 187.327 2.029 0 20 AEAD O=Cc1cncc(-c2ccoc2)c1 91366288 IWQGVFXKAQXXEE-UHFFFAOYSA-N 173.171 2.154 0 20 AEAD COC(=O)c1sc(C2CC2)nc1C 112016213 QCBLHPHWLGTYPT-UHFFFAOYSA-N 197.259 2.116 0 20 AEAD CCc1ccc(CNCCCF)o1 124434821 PNDASTSLLCKKGN-UHFFFAOYSA-N 185.242 2.291 0 20 AEAD CCCC(=O)N1CC[C@H](CC)C1 144051830 WGDLKCJFMIHSSR-VIFPVBQESA-N 169.268 2.045 0 20 AEAD S=C(Nc1ccsc1)NC1CC1 164425600 VESRCLLGSGSNIK-UHFFFAOYSA-N 198.316 2.197 0 20 AEAD C=CCCC(=O)OC/C=C\C 166437994 ROJSREDDRYGRQE-XQRVVYSFSA-N 154.209 2.072 0 20 AEAD OC[C@@H]1CCCC[C@@H]1NC1CCCC1 167996263 RDGHSFYMRRHTRX-JQWIXIFHSA-N 197.322 2.070 0 20 AEAD CCCCCN1CCO[C@H](CC)C1 168658849 SISSDALBKFOFTC-LLVKDONJSA-N 185.311 2.287 0 20 AEAD CCC1(CN[C@@H]2CCO[C@H](C)C2)CC1 223179534 AIJNCQKEZAKUKW-GHMZBOCLSA-N 197.322 2.334 0 20 AEAD CC[C@@H]1C[C@H]1NC(=O)NC1CCCC1 227033327 MBOCPZPMXVCGID-PSASIEDQSA-N 196.294 2.027 0 20 AEAD C[C@H]1CC[C@@H](CNCC2CC2)C1 230404764 FXMGDSVBOOIBQV-GXSJLCMTSA-N 167.296 2.422 0 20 AEAD CC(C)C[C@H](CO)N[C@@H]1CCC[C@H]1C 238854494 NZNXKOIMGFSZEN-IJLUTSLNSA-N 199.338 2.172 0 20 AEAD CC[C@H]1CCN(C(=O)C2CCC2)C1 306240662 QUSPFKORYIHOGZ-VIFPVBQESA-N 181.279 2.045 0 20 AEAD CNCC1(OC)C[C@H](C)C[C@@H](C)C1 306281340 IADMXFJJPDKUET-NXEZZACHSA-N 185.311 2.047 0 20 AEAD C/C=C/C=C/C(=O)N1CCC[C@H]1C 306547768 XFTOPGOQOYGGPB-UEDRSEJPSA-N 179.263 2.130 0 20 AEAD CC[C@@H]1CCC[C@H]1Nc1ncccn1 306551242 ZYZHWSCGLUGXGS-NXEZZACHSA-N 191.278 2.467 0 20 AEAD C[C@@H]1CCC[C@@H](CC(=O)N(C)C)C1 307544661 WNVSAIYOHSQKJK-NXEZZACHSA-N 183.295 2.291 0 20 AEAD CCC1CC(N[C@H]2CCO[C@@H](C)C2)C1 307584036 GTKODDQRNBEAGQ-VOBJUBJWSA-N 197.322 2.332 0 20 AEAD C1CC(NC2(C3CC3)CC2)CCS1 307686361 KCYBYJAXCNZQLY-UHFFFAOYSA-N 197.347 2.414 0 20 AEAD CC1CC(NC(=O)C2CCCC2)C1 307729317 FUMMKGFYENRKSI-UHFFFAOYSA-N 181.279 2.091 0 20 AEAD CCOc1ccc(CSC)nc1 308072969 BOQUREUCBUIFSI-UHFFFAOYSA-N 183.276 2.343 0 20 AEAD O=C(CCCC1CC1)OCCCF 308192978 PMJYFOMCDJAZKS-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD CC(C)CCN[C@@H](CO)C(C)(C)C 308250958 HHNLYEZVYIWWDH-JTQLQIEISA-N 187.327 2.029 0 20 AEAD CC[C@@H](COC)NCCC1(C)CC1 308444344 APSXKWWEFXAMQX-JTQLQIEISA-N 185.311 2.191 0 20 AEAD CCCCCC[C@H](C)C(=O)NOC 308491468 RKJBZHWWPFPPSD-VIFPVBQESA-N 187.283 2.271 0 20 AEAD CCC(CC)N[C@H](C)c1nc(C)no1 308581064 GNCWBDGQGVVHCU-SSDOTTSWSA-N 197.282 2.217 0 20 AEAD CO[C@H](C)CCN[C@@H]1CC[C@H]1C1CC1 308607410 PUTREAYJJOHFEQ-ADEWGFFLSA-N 197.322 2.190 0 20 AEAD COC1(C)CCN(CC2CCC2)CC1 334174362 AYYKCECCIDYMKS-UHFFFAOYSA-N 197.322 2.287 0 20 AEAD CC[C@H](C)n1ncc(NC(C)=O)c1C 334638730 YLYVGVJQMHIMTM-ZETCQYMHSA-N 195.266 2.121 0 20 AEAD CCC[C@]1(C)CCCN(C(=O)NC)C1 334838681 OYJKKHKNEMLBDN-LLVKDONJSA-N 198.310 2.228 0 20 AEAD CCCC(=O)N[C@H]1CCC[C@H](F)C1 335429327 DNHHGYLJLZQNOB-IUCAKERBSA-N 187.258 2.183 0 20 AEAD CC(C)CCN1CCOCC2(CC2)C1 335810635 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198.193 2.097 0 20 AEAD CC[C@H](C)NC[C@@H]1CCCCN(C)C1 624120329 WFMOLGIXPGLOLQ-RYUDHWBXSA-N 198.354 2.106 0 20 AEAD CC[C@H](C)CN1CC(C)(C)C1 639393944 YPHGFPPRRJTBKC-VIFPVBQESA-N 155.285 2.374 0 20 AEAD CN(CCC1CC1)c1ccncc1F 641453622 WRZILQKZRDUIBM-UHFFFAOYSA-N 194.253 2.457 0 20 AEAD CC[C@@H]1CCC[C@H]1NC[C@@H](N)C(C)C 643511821 RLZUKFDWBIOCJH-IJLUTSLNSA-N 198.354 2.138 0 20 AEAD CCC[C@H](C)NCCC1CCNCC1 650763917 MEUQAFPOUGNTET-NSHDSACASA-N 198.354 2.154 0 20 AEAD C/C=C/c1cn(CCC(C)C)nn1 656442110 ASNMZIABQSQZQR-SNAWJCMRSA-N 179.267 2.357 0 20 AEAD C/C=C\c1cn(CCCCF)nn1 656458024 XGOXNXJUDHLINS-DJWKRKHSSA-N 183.230 2.061 0 20 AEAD CC[C@@H](O)CN[C@]1(C)CCCC[C@H]1C 656722064 CTOHBALRYRBDLX-IJLUTSLNSA-N 199.338 2.316 0 20 AEAD COCCC1(C)CN(C[C@@H]2C[C@@H]2C)C1 656796713 IOPYYEDAJKXFMT-QWRGUYRKSA-N 197.322 2.001 0 20 AEAD C[C@H](N(C)CC1CC=CC1)C(C)(C)O 660677206 QHAISWWUKANTTH-JTQLQIEISA-N 197.322 2.044 0 20 AEAD C[C@@H](C[C@@H](C)N)NCCCC1CCC1 665267057 OZUVAHWDZJYRPB-MNOVXSKESA-N 198.354 2.282 0 20 AEAD CC(C)CN(C)C(=O)C1CC2(CC2)C1 666179736 AYRYODGNNUBZQI-UHFFFAOYSA-N 195.306 2.291 0 20 AEAD CCC1(C(=O)NCc2ccco2)CC1 674076236 FMDGWZGUPLNOQX-UHFFFAOYSA-N 193.246 2.086 0 20 AEAD C[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)C1(C)CC1 674538615 VPAPSSTXCSHFHD-BBBLOLIVSA-N 195.306 2.289 0 20 AEAD CC1(NC(=O)C2[C@H]3CCC[C@H]23)CCC1 677289699 FAIFWVRULGSPTI-IUCAKERBSA-N 193.290 2.091 0 20 AEAD CCN(C[C@H](C)OC)[C@@H](C)C(C)C 679851420 SQUIXUOSRYZLMN-QWRGUYRKSA-N 187.327 2.388 0 20 AEAD CO[C@@H](C)CN1C[C@H](C)CC(C)(C)C1 680089361 DIFWWDCVAYLFTH-MNOVXSKESA-N 199.338 2.389 0 20 AEAD CCONC(=O)C1CCC2(CC1)CC2 695646232 GIOYKCKRMPEZOH-UHFFFAOYSA-N 197.278 2.025 0 20 AEAD CC[C@@H]1COC[C@H]1NCCC(C)C 699431026 QCDHTHFBGWFDTM-GHMZBOCLSA-N 185.311 2.047 0 20 AEAD C/C=C/COC(=O)c1ccc(C)n1C 753851534 NOLDGYJFUMASNA-SNAWJCMRSA-N 193.246 2.066 0 20 AEAD Cc1cc(C(=O)OCC2CC2)oc1C 768121886 MOOXRIPYPYMKAQ-UHFFFAOYSA-N 194.230 2.463 0 20 AEAD CSCC[C@@H](C)OC(=O)C(C)C 835817211 GQQWPJMELVCSRZ-MRVPVSSYSA-N 190.308 2.327 0 20 AEAD CC/C=C\CNC(=O)OCCCF 841524613 VJKAAEGVFGWYOE-ARJAWSKDSA-N 189.230 2.038 0 20 AEAD CC[C@@H](C)N(CC)Cc1cnsn1 852291749 YQXSNYAKXXGFEE-MRVPVSSYSA-N 199.323 2.159 0 20 AEAD CS/C=C\C(=O)N(C1CC1)C1CC1 862852286 IKJXAOMKKNHDRP-SREVYHEPSA-N 197.303 2.017 0 20 AEAD FC[C@H]1CCN(CC2=CCCC2)C1 880299504 HWCXSXAPSVIRMQ-LLVKDONJSA-N 183.270 2.388 0 20 AEAD CC1(C(=O)N2CCC(F)CC2)CCC1 881610522 PBYPDCRXEXIFFK-UHFFFAOYSA-N 199.269 2.137 0 20 AEAD CCC[C@H](C)NC(=O)/C=C(/C)Cl 900075898 FIDIZQIFQGJIDE-UAPHAKCISA-N 189.686 2.434 0 20 AEAD CCc1ncc(CSCC(C)=O)o1 917129764 FJVGXCFDPAXILN-UHFFFAOYSA-N 199.275 2.059 0 20 AEAD O=C(C=C(C1CC1)C1CC1)NC1CC1 917530204 VYPLTPSWBXCJDD-UHFFFAOYSA-N 191.274 2.011 0 20 AEAD CO[C@H]1CCCN(CC2CC(C)C2)C1 929505120 IUCROCLRNWMQNL-MCIGGMRASA-N 197.322 2.143 0 20 AEAD C[C@H]1CCCN(C[C@@H]2CCO[C@@H]2C)C1 1193888199 BDVDUBBYGYXQFK-TUAOUCFPSA-N 197.322 2.143 0 20 AEAD O=C(C1CCCC1)N1CCCSC1 1347354596 ZZABOIGSDYTEMI-UHFFFAOYSA-N 199.319 2.100 0 20 AEAD CN(CC1CC1)C(=O)CCC1(C)CC1 1351390251 ZJDVXTHUGRHGRK-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD C1C[C@H]2C[C@H](N[C@@H]3CCSC3)[C@H]2C1 1474493733 XXLBVCLKUHAUNX-VLEAKVRGSA-N 197.347 2.270 0 20 AEAD FC(F)n1ccc2cccnc21 2298024251 OJWXNOCFJWDXHT-UHFFFAOYSA-N 168.146 2.431 0 20 AEAD CC(C)CCSCCC(=O)O 19429965 JKOJBWDOOWYWFK-UHFFFAOYSA-N 176.281 2.240 0 20 AEAD COC[C@H](C)N[C@H](C)CCC(C)C 19905074 WUGZAUSCTYUZAV-MNOVXSKESA-N 187.327 2.436 0 20 AEAD C=CC(=O)N[C@@H]1CCCC[C@H]1CC 37006440 TYLRLTTYXHEGBL-NXEZZACHSA-N 181.279 2.257 0 20 AEAD CCCN(CC)c1ccc(Cl)nn1 37095417 MCFJVSSVOMCYCT-UHFFFAOYSA-N 199.685 2.366 0 20 AEAD CCC1CCC(C)(N)CC1 37376693 NIVFNYAYTFKJDI-UHFFFAOYSA-N 141.258 2.304 0 20 AEAD CCN(C)Cc1cccs1 39286392 XAXGZUGNRHIUPH-UHFFFAOYSA-N 155.266 2.200 0 20 AEAD CCOc1ccc(OC(C)=O)cc1 40836373 MKDDYCLBFBDYRQ-UHFFFAOYSA-N 180.203 2.011 0 20 AEAD COCCNC[C@H]1CCCC[C@H]1C 42862469 HYSKSKDHOLAIKH-GHMZBOCLSA-N 185.311 2.049 0 20 AEAD Nc1ccc2nc(CC3CC3)[nH]c2c1 49730646 VOLPKBABIVSZTH-UHFFFAOYSA-N 187.246 2.098 0 20 AEAD c1coc(CNCc2cncs2)c1 54769770 VJVUBABQKWDXLI-UHFFFAOYSA-N 194.259 2.026 0 20 AEAD CC(C)[C@@H](C)NCc1cncs1 54770446 HHAJTWYEAQEXOH-MRVPVSSYSA-N 184.308 2.277 0 20 AEAD CC[C@H](C)NC(=O)NCC1CCCC1 62444881 FKEMIAGYBLQXFK-VIFPVBQESA-N 198.310 2.274 0 20 AEAD C[C@H](CC1CC1)N[C@@H]1CCSC1 69663252 RZTNRICWKIGTJZ-PSASIEDQSA-N 185.336 2.270 0 20 AEAD Cc1cc(CN[C@H]2CC[C@@H](C)C2)on1 70643802 VZWDSZUBQWEJNV-SCZZXKLOSA-N 194.278 2.261 0 20 AEAD CCCC(=O)N[C@H]1CCC[C@@H]1C 82432197 AFIIFBLOJZOECF-IUCAKERBSA-N 169.268 2.091 0 20 AEAD CC1(C)CCCC[C@H]1NCCCCO 86874957 MABGIPYLQTVNQO-LLVKDONJSA-N 199.338 2.317 0 20 AEAD CC1(C)CCN(CC2(O)CCCC2)C1 87257453 CIKREBRTLUBPOK-UHFFFAOYSA-N 197.322 2.023 0 20 AEAD C[C@H](O)CN[C@H](C)C1CCCCCC1 88169254 ZMUYBKHTWNAEIR-WDEREUQCSA-N 199.338 2.316 0 20 AEAD c1ccc(CO[C@@H]2CCCO2)cc1 98180414 OYHWVPFGVJYAAG-LLVKDONJSA-N 178.231 2.340 0 20 AEAD Cc1ccc(NCC[C@@H](C)O)c(C)c1 125103903 CUKJDOYIGBNLED-LLVKDONJSA-N 193.290 2.486 0 20 AEAD Cc1noc(-c2cc(F)ccc2F)n1 146170794 LXESFRWJFHYPHH-UHFFFAOYSA-N 196.156 2.323 0 20 AEAD CC[C@H](O)CCN[C@@H]1CCCC[C@@H]1C 157384260 WWGULRSERWBPIL-SDDRHHMPSA-N 199.338 2.316 0 20 AEAD Cc1cc(C)n(CCOC(C)(C)C)n1 162456468 MZBIZUYHBWAINS-UHFFFAOYSA-N 196.294 2.315 0 20 AEAD CC(C)CN1C2CCC1CC2 166539672 JVERERBTHCVFGP-UHFFFAOYSA-N 153.269 2.269 0 20 AEAD C/C=C\C(=O)Nc1nc(C)c(C)s1 211353162 CFGFQQUJOFWYFS-PLNGDYQASA-N 196.275 2.275 0 20 AEAD CC(C)CC(=O)Nc1ccc(F)nc1 224611301 QANMIGXKTBIOMK-UHFFFAOYSA-N 196.225 2.205 0 20 AEAD CC[C@H](C)NC1C[C@H](C)O[C@@H](C)C1 227778425 BBDRZWBKUACXTG-GUBZILKMSA-N 185.311 2.331 0 20 AEAD Cc1ccc(F)c([C@H](N)CF)c1 238492421 QFCAJYWNBVJLPX-SECBINFHSA-N 171.190 2.103 0 20 AEAD C[C@H](O)CCNC[C@@H]1CCCC[C@H]1C 252850096 FEITXMBFNJNDSD-WOPDTQHZSA-N 199.338 2.173 0 20 AEAD CC(C)c1noc(N[C@H]2CC2(C)C)n1 306294482 XYMQLHHHZOWGMO-ZETCQYMHSA-N 195.266 2.403 0 20 AEAD C[C@H]1CC[C@@H](C)[C@@H]1NC1CCOCC1 306374751 VTYWOOBPRFYJNY-IAZYJMLFSA-N 197.322 2.190 0 20 AEAD Cn1ncnc1SCC1(C)CCC1 306731112 QKVRLELOWYHIPR-UHFFFAOYSA-N 197.307 2.097 0 20 AEAD O=[S@@](CC1CC1)C1CCCC1 307003918 DILTZPWCFDEXEI-NSHDSACASA-N 172.293 2.088 0 20 AEAD C[C@@H]1CC[C@H](N[C@H](C)CF)C1 307614829 PFDHDENSMLRYGC-HLTSFMKQSA-N 159.248 2.123 0 20 AEAD CCC[C@@H](C)NCc1snnc1C 308257407 KMJQUJMNWVUKIZ-SSDOTTSWSA-N 199.323 2.125 0 20 AEAD C[C@H]1CC[C@@H]1NCCCOC(F)F 308285518 YUXQYYDFBXQTCS-YUMQZZPRSA-N 193.237 2.004 0 20 AEAD C[C@@H](CCNC(N)=O)CC(C)(C)C 308335017 NLAKOUGJTNHTIM-QMMMGPOBSA-N 186.299 2.117 0 20 AEAD C[C@@H]1C[C@@H]1CN[C@H](CCO)C(C)(C)C 308584906 HYAWVJUGWVOCKL-GMTAPVOTSA-N 199.338 2.029 0 20 AEAD CC[C@H](NC[C@](C)(O)C(C)C)C1CC1 308586756 SFTQKXMEDNVXTC-RYUDHWBXSA-N 199.338 2.172 0 20 AEAD C[C@H]1C[C@H]1c1ccc(CNCCF)o1 308592551 PSAKFMMSEYHHPZ-WCBMZHEXSA-N 197.253 2.462 0 20 AEAD CC(C)(C)[C@@H](N[C@@H]1CCOC1)C1CC1 324331872 BQISBFBZQSYGSJ-MNOVXSKESA-N 197.322 2.190 0 20 AEAD CCN(C(=O)[C@]12CCC[C@@H]1C2)C(C)C 335008718 LTWPMYPPAFMTMC-PWSUYJOCSA-N 195.306 2.434 0 20 AEAD CCCN1CCC[C@@H]1[C@@H]1CCCOC1 335379161 JUEQZDZLQMPXIT-VXGBXAGGSA-N 197.322 2.287 0 20 AEAD CN(Cc1ccn(C)c1)C(C)(C)C 335449570 OIKKKDNYUYLYBS-UHFFFAOYSA-N 180.295 2.255 0 20 AEAD C[C@@H]1CC=C(C(=O)N2CCCC2)CC1 335458385 VOWCNKKCLYXCNR-SNVBAGLBSA-N 193.290 2.355 0 20 AEAD CC1(C(=O)N[C@H]2CCC[C@H]2F)CCC1 335829053 OIEBYWMHFQPGKO-BDAKNGLRSA-N 199.269 2.183 0 20 AEAD CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 336006202 ORQRCJNQPQWAIZ-QWRGUYRKSA-N 195.306 2.040 0 20 AEAD CCN(C(=O)N1C[C@@H](C)[C@H]1C)C(C)C 336298958 ZLRAGYFZNHZJBO-NXEZZACHSA-N 198.310 2.177 0 20 AEAD CC[C@H](SC)C(=O)N[C@H](C)CC 379311328 KJLQSNHGSIKTFF-SFYZADRCSA-N 189.324 2.043 0 20 AEAD C[C@H](CO)S[C@H](C)c1ccncc1 379400674 JEBZIPZPQMUVOQ-RKDXNWHRSA-N 197.303 2.257 0 20 AEAD CCC[C@@H](C)[C@H](CC)N[C@@H]1CC[C@H]1O 382187841 HGEISWRFDAYDPU-WRWGMCAJSA-N 199.338 2.314 0 20 AEAD Cc1ccc(SCC[C@H](C)O)nc1 388835971 XMDRVXKRHMNEFS-VIFPVBQESA-N 197.303 2.253 0 20 AEAD CCC[C@@H](C)N[C@H](C)c1nc(C)no1 389287637 WVICSGTWCXRCPW-HTQZYQBOSA-N 197.282 2.217 0 20 AEAD C[C@H](CNC[C@H]1C[C@H]1C)C1CC1 393366434 FIFXQTDTZVCCGI-FXPVBKGRSA-N 167.296 2.278 0 20 AEAD CCSCCSCCCCO 393683660 SXCGBJIWHRVNKS-UHFFFAOYSA-N 194.365 2.245 0 20 AEAD CCOC[C@@H](C)NCC[C@H](C)CC 394391955 NHLDHJGTJRVBGW-GHMZBOCLSA-N 187.327 2.437 0 20 AEAD C[C@@H](NC1CCC1)[C@H]1CC12CC2 527866756 JODCWDKUZHSBSL-PSASIEDQSA-N 165.280 2.317 0 20 AEAD Cc1ccnc(CSC[C@@H](C)O)c1 591132532 MSISXKMNCPDFDS-SECBINFHSA-N 197.303 2.004 0 20 AEAD CCN(C)Cc1ccccc1N(C)C 608498120 ODSUPWFISRJNNB-UHFFFAOYSA-N 192.306 2.204 0 20 AEAD Cc1cnc(CN(C)CCC(C)C)[nH]1 628132707 MQWDUKAKZCUXJX-UHFFFAOYSA-N 195.310 2.196 0 20 AEAD CC1(C(=O)N2C[C@H]3C[C@@H]3C2)CCCC1 628508667 YGWSENBYBUJXSS-NXEZZACHSA-N 193.290 2.045 0 20 AEAD CC/C=C\CCN1CCC[C@H](O)CC1 645268038 FTVWDUIVDXCVOL-MVZIDQBPSA-N 197.322 2.190 0 20 AEAD CCn1nccc1-c1ccsn1 649433253 JQIPVVYHBHZRBP-UHFFFAOYSA-N 179.248 2.027 0 20 AEAD C[C@@H]1O[C@H](C)C[C@@H]1NC1(C2CC2)CC1 649707698 HCJZZTUTBOOHEG-YWVKMMECSA-N 195.306 2.085 0 20 AEAD 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185.311 2.047 0 20 AEAD CC(C)C(=O)N[C@H]1CCCC1(C)C 86831832 AXUQRNRKWAHWEW-VIFPVBQESA-N 183.295 2.337 0 20 AEAD COCCCN[C@@H]1CCCC1(C)C 86855942 HCLGZVOHGNAOCZ-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD CCOCCCN[C@H](C)c1ccoc1 87289537 SCARMXVTYYSZAB-SNVBAGLBSA-N 197.278 2.357 0 20 AEAD COC[C@H](NCCCC(C)C)C1CC1 87479258 BMRSHAGATQREBJ-LBPRGKRZSA-N 199.338 2.437 0 20 AEAD COc1cc(C)cc2occc(=O)c12 98179009 MQFBZYOKAKTQIS-UHFFFAOYSA-N 190.198 2.110 0 20 AEAD CCC1=NN(C2CCCC2)C(=O)[C@@H]1C 110454816 LSXRMPYKVBDHIZ-MRVPVSSYSA-N 194.278 2.173 0 20 AEAD CCc1ccc2c(O)noc2c1 115252809 HZDIJCKOKBDKQN-UHFFFAOYSA-N 163.176 2.096 0 20 AEAD CCCNC(=O)N1C[C@H](C)CC[C@@H]1C 127974875 VNFKOXLVNHDWQF-ZJUUUORDSA-N 198.310 2.226 0 20 AEAD CC[C@@H]1CCC[C@H]1NCc1cc[nH]n1 130528524 ZAPJOUGVYSQKEW-MWLCHTKSSA-N 193.294 2.078 0 20 AEAD Cc1nc(CNC2CC=CC2)cs1 131183558 HLWJJOYWYGNABK-UHFFFAOYSA-N 194.303 2.260 0 20 AEAD COC(C)(C)CNCC(C)(C)C 133017194 GKTWLSZZLUECBO-UHFFFAOYSA-N 173.300 2.047 0 20 AEAD CC(C)Nc1cccc2c1OCC2 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CC[C@H](C)CN[C@H](C)CCCCN 379351726 YDLQULZOLRGMQW-WDEREUQCSA-N 186.343 2.140 0 20 AEAD FCCNCc1cccc(F)c1F 379357181 QQKJYQLOJPGZMG-UHFFFAOYSA-N 189.180 2.024 0 20 AEAD CCN(C(=O)CCC1CC1)C1CC1 379395942 BYBKDIPEBHWETB-UHFFFAOYSA-N 181.279 2.188 0 20 AEAD O=C(OCCC1CC1)c1cscn1 388311237 RPWCGAHWGXSKOZ-UHFFFAOYSA-N 197.259 2.100 0 20 AEAD CCCOC(=O)[C@H]1CC[C@H](C)C1 388408673 VPKZUKRRIHEIIX-IUCAKERBSA-N 170.252 2.376 0 20 AEAD CCC/C=C/C(=O)NCC=C(C)C 388582699 CAGAAZVKBLMLDX-VOTSOKGWSA-N 181.279 2.425 0 20 AEAD CC(C)[C@H](C)[S@@](=N)(=O)C1CC1 536957763 KHKWHZABAZPOIM-WRWORJQWSA-N 175.297 2.240 0 20 AEAD CCC(C)(C)C(=O)NCc1ccoc1 588641951 PEUAPFIXKFEFAF-UHFFFAOYSA-N 195.262 2.332 0 20 AEAD CC(C)(C)CSCCc1cnn[nH]1 590597278 MDGDEEWSMZOIRO-UHFFFAOYSA-N 199.323 2.127 0 20 AEAD CC(C)CCN(C)C[C@H]1CCO[C@H]1C 639455748 VPNOPEOPGLMEGA-NWDGAFQWSA-N 199.338 2.389 0 20 AEAD N[C@@H]1CCCCC[C@@H]1NCCC1CC1 643465726 MVSRAEAWAFGPQZ-NEPJUHHUSA-N 196.338 2.036 0 20 AEAD CC/C=C\CNC(=O)CC1(C)CC1 650823927 GFDPFFBGLAZAAL-PLNGDYQASA-N 181.279 2.259 0 20 AEAD CC[C@@H](C)C(=O)NC1(C)CC=CC1 654011031 QGLIVIOOYLEKEN-SECBINFHSA-N 181.279 2.257 0 20 AEAD CC(C)CC1(N[C@H]2CCO[C@H]2C)CC1 657774896 NJUKLMXIPFCLAQ-QWRGUYRKSA-N 197.322 2.332 0 20 AEAD C[C@@H]1CSC[C@H]1NCC1CC=CC1 660539289 SATXXUQBGOVHBR-MWLCHTKSSA-N 197.347 2.294 0 20 AEAD CC[C@H](NC1CC(C)C1)[C@@H](O)C(C)C 666230025 QYILEIRELBJAOP-QQFIATSDSA-N 199.338 2.170 0 20 AEAD CO[C@H](C)CN1CCC2(CCC2)CC1 671728334 DHIGCMDZIIYURU-LLVKDONJSA-N 197.322 2.287 0 20 AEAD CC(C)[C@H](C)N(C)CCN1CCCC1 677676343 KEKKQMXQPUVBAV-LBPRGKRZSA-N 198.354 2.059 0 20 AEAD C[C@H]1C[C@H]1CN1CCCOC(C)(C)C1 683109590 LVYPIUKSYCOJET-QWRGUYRKSA-N 197.322 2.143 0 20 AEAD Cc1cnc(N[C@H]2C=CCC2)nc1C 698206822 SRZFJECVRQKCRG-JTQLQIEISA-N 189.262 2.224 0 20 AEAD CC[C@@H](C)[C@H](C)N(C)[C@@H]1CCC[C@H]1O 708660109 WFKAUVXIBIKVNT-WRWGMCAJSA-N 199.338 2.266 0 20 AEAD COC[C@@H](NC[C@H]1C=CCC1)C(C)C 711783042 BGEQQYBYVAWRCH-NWDGAFQWSA-N 197.322 2.213 0 20 AEAD CO[C@@H](C)CC(=O)Oc1ccccc1 749462836 PGDCVNLHEAYGLR-VIFPVBQESA-N 194.230 2.017 0 20 AEAD C/C=C(/C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 751189191 SABSJCUGEPXXAP-HEMNTIQHSA-N 195.306 2.457 0 20 AEAD CCCN(CCC)C(=O)/C=C\OCC 813396350 WMEPYJDQZQKNPK-YFHOEESVSA-N 199.294 2.185 0 20 AEAD F[C@H]1CCCN(C[C@H]2CCC=CO2)C1 846120370 PJLKIIUUOKUURH-WDEREUQCSA-N 199.269 2.113 0 20 AEAD CC/C=C(/C)C(=O)O[C@H](CC)C(C)=O 873334181 YNFZBWHVCDVTSY-GQYWMQPJSA-N 198.262 2.254 0 20 AEAD CCCCNC[C@@]1(C)CCCC[C@H]1O 906529701 SUEHCXLFPVVQBD-VXGBXAGGSA-N 199.338 2.317 0 20 AEAD CC(C)ONC(=O)CCC1CCC1 1328049348 CAODPAPSDBGZRF-UHFFFAOYSA-N 185.267 2.023 0 20 AEAD Cc1ccccc1OC(=O)[C@H]1C[C@@H]1F 1336959298 RLBPGAMQEITIBQ-IUCAKERBSA-N 194.205 2.258 0 20 AEAD CC[C@@H](F)C(=O)N(CC)C(C)(C)C 1338184647 UXPPEIMJSVOZGO-MRVPVSSYSA-N 189.274 2.382 0 20 AEAD CCOc1cccc([C@@H]2CCNC2)c1 19785212 FXADNCSEGSPDAP-LLVKDONJSA-N 191.274 2.162 0 20 AEAD CC[C@H](N[C@@H](C)CO)c1cccs1 35602307 USHFFFGYYMCINU-IUCAKERBSA-N 199.319 2.170 0 20 AEAD CC(C)c1nccn1C[C@@H]1CCCO1 69950202 FKSYWVVJIOAYRE-JTQLQIEISA-N 194.278 2.186 0 20 AEAD CCCn1nc(C(C)C)cc1C(=O)O 71507327 FKEVKWRWIZGSQA-UHFFFAOYSA-N 196.250 2.115 0 20 AEAD Cc1nc([C@H](O)C(C)C)sc1C 75853584 XHAJJCHDYCXIFJ-MRVPVSSYSA-N 185.292 2.449 0 20 AEAD Cc1cc(CO)nc2ccccc12 82778941 LCXWYRXBXAIHLT-UHFFFAOYSA-N 173.215 2.036 0 20 AEAD CC[C@@H](NCc1ccncc1)C1CC1 83054590 KMRHFPMKRFWESK-GFCCVEGCSA-N 190.290 2.360 0 20 AEAD O[C@@H]1CCCC[C@H]1CC1CC1 86359670 BIEXIUMOWPTYOR-VHSXEESVSA-N 154.253 2.338 0 20 AEAD C[C@@H]1Oc2ccc(N)cc2[C@H]1C 95883783 UZJCBTHQFUACFY-BQBZGAKWSA-N 163.220 2.153 0 20 AEAD O=C1C[C@@H](C2CCCCC2)CCN1 96034378 KUYDPGRTKGPQMM-JTQLQIEISA-N 181.279 2.093 0 20 AEAD in-vitro CC[C@@H](C)N1N=C(C)[C@@H](C(C)C)C1=O 108373771 JNDZYHHXXCXXJJ-PSASIEDQSA-N 196.294 2.275 0 20 AEAD CC[S@@](=O)c1ccc(F)cc1F 114570129 HMLFKPNADSNQDD-LBPRGKRZSA-N 190.214 2.092 0 20 AEAD Cc1ncccc1CN[C@H]1CC1(C)C 115631550 DJGAZDUQCXJJLZ-NSHDSACASA-N 190.290 2.278 0 20 AEAD CCCC(CCC)N[C@H](C)CCO 122278553 MBKGAUIDIRHXNQ-SNVBAGLBSA-N 187.327 2.316 0 20 AEAD CCNC(=O)N1CCC(CC)(CC)C1 130011011 RQHXYLVMSIIGOP-UHFFFAOYSA-N 198.310 2.228 0 20 AEAD C[C@@H](CC1CC1)NCC(C)(C)N(C)C 132048363 RUZCUIQJGLDWQL-JTQLQIEISA-N 198.354 2.105 0 20 AEAD CC(C)OCCNc1ncccc1F 134069637 QBUCNAHKCVWQKV-UHFFFAOYSA-N 198.241 2.058 0 20 AEAD CO[C@@H](C)CNCc1sccc1C 167115404 FVRMHBSOKWYTAD-VIFPVBQESA-N 199.319 2.181 0 20 AEAD C[C@H]1C[C@@H]1CNc1nccnc1Cl 167224887 CHOHTSYNULFYLA-NKWVEPMBSA-N 197.669 2.198 0 20 AEAD CC[C@H](NCCC[C@H](C)O)C(C)C 228031584 XVWFWGRVRVRBIK-QWRGUYRKSA-N 187.327 2.172 0 20 AEAD C=CC(=O)NCc1ccc(CC)s1 229978499 IPXHANHGNIZHIJ-UHFFFAOYSA-N 195.287 2.113 0 20 AEAD CCC(CC)[C@H](O)CNC1CC(C)C1 231788236 YNSWPXJOQSQIFO-QEWOUOOISA-N 199.338 2.172 0 20 AEAD CCCOC(=O)c1ccoc1CC 233219857 RNXAJUKOSQCEIS-UHFFFAOYSA-N 182.219 2.409 0 20 AEAD C[C@@H]1CCC(=O)[C@@H]([C@H]2CCCCN2)C1 252109405 JIQFQIJOOKTBBO-GMTAPVOTSA-N 195.306 2.134 0 20 AEAD C[C@H]1CC[C@H](NCc2cnc[nH]2)CC1 252953520 GSLZNRNRULFTJR-MGCOHNPYSA-N 193.294 2.078 0 20 AEAD CC(C)=CC(=O)NCCC(F)(F)F 300769847 YSHIOUSHQLEKTB-UHFFFAOYSA-N 195.184 2.021 0 20 AEAD Cc1ccc(C(=O)NOC(C)C)s1 306243803 ALJOFBUWNUNXKB-UHFFFAOYSA-N 199.275 2.126 0 20 AEAD CC1(C)CC[C@H]1NCc1ccccn1 306335398 GQUHGXLRZQIUTO-LLVKDONJSA-N 190.290 2.360 0 20 AEAD CC(C)=CCSc1nnc(C)[nH]1 306454209 ZBXLNAAUBFAHGY-UHFFFAOYSA-N 183.280 2.171 0 20 AEAD CC1(CN[C@H]2CC2(C)C)CC1 306479669 KGROXYYHXREEPY-QMMMGPOBSA-N 153.269 2.175 0 20 AEAD CCSCc1cc(C)no1 307193240 NOISWUDMYHLKCV-UHFFFAOYSA-N 157.238 2.236 0 20 AEAD C[C@H]1CSCCN(CC2(C)CC2)C1 307233855 DGTXZEGHVBUIRT-SNVBAGLBSA-N 199.363 2.471 0 20 AEAD C[C@H](F)CCn1cc(Cl)cn1 307630851 YXXRTLDPXYTDDL-LURJTMIESA-N 176.622 2.285 0 20 AEAD CCCOC(=O)C1(C)CCC1 307676835 JYEDCLCIYBIDBV-UHFFFAOYSA-N 156.225 2.130 0 20 AEAD CC(C)C(=O)NOC1CCCCC1 307753364 VMZAXKHJMQSDOJ-UHFFFAOYSA-N 185.267 2.023 0 20 AEAD CC(C)[C@H](C)SCc1cnnn1C 308135818 FFWMHVPYIMGSQR-QMMMGPOBSA-N 199.323 2.093 0 20 AEAD O=C(OCC1CCC1)c1cscn1 308175143 CZTMSGYNDNRARM-UHFFFAOYSA-N 197.259 2.100 0 20 AEAD C/C=C\C[S@@](=O)c1cccc(O)c1 308319980 XVUZEHIXJLGBQB-XQJDBVBESA-N 196.271 2.076 0 20 AEAD CO[C@@H](C)CN[C@H](C)CCC1CC1 308437009 XDMCBIFSEWLQAL-ZJUUUORDSA-N 185.311 2.190 0 20 AEAD CCCCCn1cc(C)c(C(=O)O)n1 308544342 PAMQZHGFFAEQAD-UHFFFAOYSA-N 196.250 2.080 0 20 AEAD C[C@@H]1CC[C@H]1NCCCCCC(=O)O 308558929 WCPITHJUGQANLR-NXEZZACHSA-N 199.294 2.020 0 20 AEAD CC/C=C/CCNC1(CO)CCCC1 308747668 SEMRVOWRIHYJOW-ONEGZZNKSA-N 197.322 2.237 0 20 AEAD CC[C@H](NCCC(C)(C)O)[C@H]1C[C@H]1C 321699396 SZMKXPLTOQZIOW-VWYCJHECSA-N 199.338 2.172 0 20 AEAD CCC1CN(C(=O)C2(CC)CCC2)C1 335125350 YHFMPHUFMGQXOZ-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CCCN1C[C@@H](C)C[C@@H]1C 336553583 QAEPNJDAOBOPDF-IUCAKERBSA-N 141.258 2.127 0 20 AEAD C/C=C\C(=O)N[C@H]1CCC(C)(C)C1 379286285 JOXRNTBWQVPFEM-WBSSQXGSSA-N 181.279 2.257 0 20 AEAD CS/C=C/C(=O)N(C)[C@@H](C)C1CC1 379367946 WJXLYCKNLLOTIJ-CZEYKFRCSA-N 199.319 2.120 0 20 AEAD CCCCN1CC[C@H](COCC)C1 379381259 GNVCNZBXARQPMP-NSHDSACASA-N 185.311 2.145 0 20 AEAD C/C=C\C[C@H](CO)NCC(CC)CC 379603217 NOPNJFICNATOQE-DJFZKKHWSA-N 199.338 2.339 0 20 AEAD CCC[C@H](C)NC[C@H](C)CCCO 384512473 UJICKZWEMHESOM-MNOVXSKESA-N 187.327 2.173 0 20 AEAD C[C@@H]1CC[C@H](N[C@H]2C=CCC2)C1 575499976 CGTKBULNZJHIIS-VWYCJHECSA-N 165.280 2.483 0 20 AEAD Cc1cc(CN(C)CC(C)(C)C)no1 588902682 ULPMAJVDOFUOBF-UHFFFAOYSA-N 196.294 2.461 0 20 AEAD CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC1 608721644 FDAUACNAHNZRMC-NXEZZACHSA-N 198.310 2.226 0 20 AEAD CCN1C[C@@H](C)C(F)(F)[C@H](C)C1 625649529 NRJPKCLUVVUDBL-HTQZYQBOSA-N 177.238 2.229 0 20 AEAD CCN1C[C@H](C)C(F)(F)[C@H](C)C1 625649538 NRJPKCLUVVUDBL-OCAPTIKFSA-N 177.238 2.229 0 20 AEAD CC[C@H](C)CN1CC[C@@H](OC)[C@@H](C)C1 648742392 BZXPXQILLWUVBD-SDDRHHMPSA-N 199.338 2.389 0 20 AEAD CO[C@H](C)CN(C)c1ccsc1 653466076 XQAFGEOBTAHHAX-MRVPVSSYSA-N 185.292 2.219 0 20 AEAD C[C@@H]1CCCCC[C@H]1NC/C=C/CO 658138920 OTUUNIZHKVXDFF-IEVRTODYSA-N 197.322 2.093 0 20 AEAD CC[C@H]1CCN([C@H]2COC(C)(C)C2)C1 659995894 HOSALKJBNVGDBU-WDEREUQCSA-N 197.322 2.286 0 20 AEAD CCN1CCOc2c1ccc(F)c2F 665231049 NRDFFEIHCBMKFY-UHFFFAOYSA-N 199.200 2.184 0 20 AEAD C[C@@H](CCCN)N[C@H](C)CC1CCC1 666942106 REPUDZOUIXTULS-WDEREUQCSA-N 198.354 2.282 0 20 AEAD CC(C)OCCN1CC[C@@H](C)[C@@H]1C 674468328 XLPFJKFEZUUGNW-MNOVXSKESA-N 185.311 2.142 0 20 AEAD CN(CCCCO)[C@H]1CCC(C)(C)C1 682648869 COOYXIKMBLWPFB-NSHDSACASA-N 199.338 2.269 0 20 AEAD CC[C@@H]1C[C@@H](N[C@@H]2C=CCC2)CCO1 698331484 ZYEFBYQEURGIAY-GRYCIOLGSA-N 195.306 2.252 0 20 AEAD CC(C)CC[C@@H](N[C@@H](C)CN)C1CC1 817969962 IPZWAMVEIVDWBD-CMPLNLGQSA-N 198.354 2.138 0 20 AEAD C[C@H]1CC[C@H]1N[C@@H](C)C(F)(F)F 818356066 IBQKQMYUSAPYPM-LYFYHCNISA-N 181.201 2.325 0 20 AEAD CCC(F)(F)C(=O)NC1(C)CCC1 831179202 AHIPKBHJDPEEFF-UHFFFAOYSA-N 191.221 2.091 0 20 AEAD CC(C)(C)COC(=O)[C@H]1CC1(F)F 835126962 WEXNQZKKZUAREN-ZCFIWIBFSA-N 192.205 2.231 0 20 AEAD CSCCSCC1(C)COC1 853789748 FSRZHFYEPFENFG-UHFFFAOYSA-N 192.349 2.119 0 20 AEAD C=C=CCNC(=O)O[C@H](C)CC(C)C 867469937 SRAPKGAMEVSEKL-SNVBAGLBSA-N 197.278 2.488 0 20 AEAD C=C/C=C/CCONC(=N)CC1CC1 882976835 OMRFEZLGIKLUMV-ONEGZZNKSA-N 194.278 2.417 0 20 AEAD Cc1cn(CC2CCCC2)c(=O)s1 920308949 GSRANNQYQJOTMU-UHFFFAOYSA-N 197.303 2.408 0 20 AEAD CCCc1nnc(-c2ccccn2)o1 1117161485 DTDFGJIFXHSJBC-UHFFFAOYSA-N 189.218 2.084 0 20 AEAD COC[C@H](C)Cc1nnc(C(C)C)o1 1328151623 GBHZQROLLVDSMS-MRVPVSSYSA-N 198.266 2.018 0 20 AEAD CC[C@@H](F)C(=O)NCc1ccccc1 1336744898 MNZDXDDSTMRPAO-SNVBAGLBSA-N 195.237 2.051 0 20 AEAD C/C=C\CCN(C)[C@H](CCC)C(=O)O 1776673499 AVPJQJCJWCTJFJ-AYYIZTPMSA-N 199.294 2.138 0 20 AEAD Fc1ccccc1CN[C@H]1CC[C@@H]1F 1898235310 KEBGYEZEDCKYEU-QWRGUYRKSA-N 197.228 2.416 0 20 AEAD C[C@@]12C[C@@]1(C)C(=O)c1ccccc1O2 1988187908 IKUPBRUXXGSVLP-NWDGAFQWSA-N 188.226 2.430 0 20 AEAD Cc1[nH]c2ccccc2c1[C@@H](C)N 19725306 UUNQRRKDMRTNNP-SSDOTTSWSA-N 174.247 2.496 0 20 AEAD C1CCC(O[C@H]2CCCO2)CC1 36419946 RZSFYKFIIXFVDT-JTQLQIEISA-N 170.252 2.472 0 20 AEAD CCCCCCNCc1csnn1 36902081 LEQIMWIJLHKLGO-UHFFFAOYSA-N 199.323 2.208 0 20 AEAD C[C@H](NCCN(C)C)C1CCCCC1 37184080 DIPXPRUVIRMJEK-NSHDSACASA-N 198.354 2.106 0 20 AEAD COC(=O)/C=C\CCc1ccccc1 38996480 KRQKLKAPNGLSMF-POHAHGRESA-N 190.242 2.348 0 20 AEAD C[C@H]1CCC[C@@H](C)N1CCC[C@@H](C)O 45619185 DSCNDZLGJQYYIN-GRYCIOLGSA-N 199.338 2.410 0 20 AEAD CCCN(CCC[C@H](C)O)CC1CC1 45620162 GVIIDZSBTDIUGH-NSHDSACASA-N 199.338 2.269 0 20 AEAD OCCCCCNc1ccccc1 49805557 XMHVMFQQDBLPCZ-UHFFFAOYSA-N 179.263 2.261 0 20 AEAD CCC(CC)NCCN1CC[C@@H](C)C1 53389560 IGKCOGPGASSDPU-LLVKDONJSA-N 198.354 2.106 0 20 AEAD Cc1c([C@@H](C)C(C)C)nn(C)c1N 69687345 STPTWAQWLBPBFI-ZETCQYMHSA-N 181.283 2.070 0 20 AEAD CC(C)(C)NC[C@H]1CCSC1 69981810 FNEQLHDBTCBDQU-MRVPVSSYSA-N 173.325 2.128 0 20 AEAD CC[C@H](COC)N[C@H]1CC[C@H](C)C1 70644281 MLRSUWACTZCMDC-AXFHLTTASA-N 185.311 2.190 0 20 AEAD CC(C)c1cc(C(=O)O)n(C(C)C)n1 71495076 SZYHADWMNXYSAQ-UHFFFAOYSA-N 196.250 2.286 0 20 AEAD COc1cccc([C@H](N)C2CCC2)c1 71505885 KKWURVVMWJDCFV-GFCCVEGCSA-N 191.274 2.495 0 20 AEAD CCc1nccn1CCC1CC1 83940542 XSMMKOOMQAPXDR-UHFFFAOYSA-N 164.252 2.246 0 20 AEAD Cc1ncsc1CN[C@H]1CC1(C)C 84149365 HIAUJBBNYLMIDC-VIFPVBQESA-N 196.319 2.340 0 20 AEAD Cc1ccc([C@H](F)C(=O)O)cc1C 86242938 AEWFJFOPLZNILQ-VIFPVBQESA-N 182.194 2.399 0 20 AEAD C[C@@H]1CCC(=O)[C@@H]([C@@H]2CCCCN2)C1 86499741 JIQFQIJOOKTBBO-MXWKQRLJSA-N 195.306 2.134 0 20 AEAD Cc1ccc2c(c1)[C@H](O)[C@H](C)C2 86721433 ODZAJPZIKWGMCJ-LDYMZIIASA-N 162.232 2.221 0 20 AEAD COc1cc(F)cc([C@H](C)C(=O)O)c1 106875092 PUEQQKFBILHURW-LURJTMIESA-N 198.193 2.022 0 20 AEAD COC(=O)N[C@H](C)c1cc(C)oc1C 136288561 FKPJZAZSUKJHRO-SSDOTTSWSA-N 197.234 2.313 0 20 AEAD CO[C@@H](C)[C@@H](C)Nc1ccc(C)nc1 162932157 AEOKNOXHFSEROR-ZJUUUORDSA-N 194.278 2.225 0 20 AEAD CC[C@@H](NC[C@@H](O)C(C)(C)C)C1CC1 167647562 HNOSNZZTHJMIFC-GHMZBOCLSA-N 199.338 2.172 0 20 AEAD CCN(CC)Cc1ccc(C)cn1 199972030 DUVBXPSEOJAEQK-UHFFFAOYSA-N 178.279 2.232 0 20 AEAD CSCc1ccncc1F 223524132 XZQOERCKFWOJBU-UHFFFAOYSA-N 157.213 2.084 0 20 AEAD C[C@@H]1CCN[C@H](CC(=O)C2CCC2)C1 306232235 CEZYWRYMDRKIRC-KOLCDFICSA-N 195.306 2.134 0 20 AEAD CSCC[C@H]1CCCCO1 306265820 FLLRGTTWKRMJNV-MRVPVSSYSA-N 160.282 2.309 0 20 AEAD COC(=O)c1cc2occc2s1 306478124 LCBQVAHBOMIHBE-UHFFFAOYSA-N 182.200 2.281 0 20 AEAD CC[C@@H]1CCC[C@@H]1NC(=O)C(C)C 307124146 YDFXSOPXAGEBDV-ZJUUUORDSA-N 183.295 2.337 0 20 AEAD CCC(=O)N[C@@H]1CCC[C@H]1CC 307441698 ATUSDDPBFKCRNM-RKDXNWHRSA-N 169.268 2.091 0 20 AEAD Cc1cc(N)cc(CNC(C)C)c1 307470729 QLTOJEHVOJOCEQ-UHFFFAOYSA-N 178.279 2.075 0 20 AEAD CC[C@H](C)[C@H](C)N1CC[C@@H](C)[C@@H](O)C1 307470986 WLGVIABKFWHUBT-USZNOCQGSA-N 199.338 2.124 0 20 AEAD CC(=O)[C@@H](C)SCC1CCC1 307565922 NMDLJSOCOXWYBW-MRVPVSSYSA-N 172.293 2.497 0 20 AEAD C[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@H]1C 307623784 RAPMPMBDRKVDCY-DBIOUOCHSA-N 167.296 2.230 0 20 AEAD CC/C=C/CN[C@@H]1CC[C@H]1C 307717556 NEHKIKSPGKGIRY-NUNSBDKSSA-N 153.269 2.341 0 20 AEAD CCCNC(=O)C[C@H]1CC[C@@H](C)C1 308246333 WEVJLGJTNRSTBF-ZJUUUORDSA-N 183.295 2.339 0 20 AEAD 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199.269 2.039 0 20 AEAD CN(Cc1ccn(C)c1)C1CCCC1 335072914 COCMGAGVQUUZAU-UHFFFAOYSA-N 192.306 2.400 0 20 AEAD Cc1ncccc1CN1CCC[C@@H]1C 335945081 RNOYJMMYZDKEKS-JTQLQIEISA-N 190.290 2.374 0 20 AEAD CCc1nc(-c2cc(C)ccn2)no1 336398752 MJPHXVIXHXIQKI-UHFFFAOYSA-N 189.218 2.002 0 20 AEAD CC1=CCCN(C(=O)C[C@H]2C[C@@H]2C)C1 336531466 JRBWFADZTFMGOH-WDEREUQCSA-N 193.290 2.211 0 20 AEAD CC/C=C/CN[C@@H](C)c1cnccn1 384846065 AOIUZMNLNHFCRW-YEZKRMTDSA-N 191.278 2.093 0 20 AEAD CC(C)C[C@@H]1C[C@H]1N[C@H]1CCCOC1 385806348 HMBQECOETOKSKK-GRYCIOLGSA-N 197.322 2.190 0 20 AEAD CC[C@H](NC[C@H](C)CO)C1CCCC1 387606528 XJWSBIRLYYVLLU-JQWIXIFHSA-N 199.338 2.173 0 20 AEAD CCC(C)(C)NC(=O)NCC=C(C)C 396011316 RBXSJUMFHUUMSM-UHFFFAOYSA-N 198.310 2.440 0 20 AEAD C[C@@H](CCC1CC1)NCCC(C)(C)N 398059716 FNWLZZAPZJLKGG-JTQLQIEISA-N 198.354 2.282 0 20 AEAD CCOC(OCC)[C@@H]1CC1(F)F 409433797 TXAGROKISGUYTR-LURJTMIESA-N 180.194 2.041 0 20 AEAD C/C(Cl)=C\Cn1ccc(C)cc1=O 530161490 WKAUGMGVBHMVNC-RUDMXATFSA-N 197.665 2.299 0 20 AEAD CC(C)C[C@H]1C[C@H](O)N(C)[C@H](C)C1 536951037 ZTLALMUYSGNJSC-MXWKQRLJSA-N 185.311 2.081 0 20 AEAD CCC[C@@H](C)NC(=O)N[C@@H]1CC1(C)C 618512922 XFEBMMYKTJMBTD-RKDXNWHRSA-N 198.310 2.273 0 20 AEAD CN(C[C@@H]1CC1(C)C)C(=O)C1(C)CC1 621049406 IPFHDDBSDJYTKP-VIFPVBQESA-N 195.306 2.291 0 20 AEAD Cc1cc(C)c(C(=O)N(C)C)s1 630678253 IUCZQAMQCQWLCY-UHFFFAOYSA-N 183.276 2.067 0 20 AEAD C[C@H](C1CC1)N(C)C[C@@H]1CCCCO1 635995374 RTIMLXPALHZXPQ-PWSUYJOCSA-N 197.322 2.286 0 20 AEAD C[C@@H]1CN(CC2=CCCC2)CCCO1 645791238 WRDPRXCXVLXGPT-LLVKDONJSA-N 195.306 2.208 0 20 AEAD CCC(CC)CC(=O)N1CCCOC1 655078075 VHHLPKRGTATTEQ-UHFFFAOYSA-N 199.294 2.019 0 20 AEAD C[C@@H](O)CN1CC(C)(C)CC(C)(C)C1 656497298 BAXCSDLGIMFFKL-SNVBAGLBSA-N 199.338 2.125 0 20 AEAD CCC[C@@H](C)NCC1(N)CCCC1 656789570 RBBWBLFMXVBMJQ-SNVBAGLBSA-N 184.327 2.036 0 20 AEAD CC[C@H](N[C@@H](C)C1(CO)CC1)C(C)C 658159337 IWDHKOVFLFDYQI-QWRGUYRKSA-N 199.338 2.172 0 20 AEAD CO[C@](C)(C1CC1)[C@H](C)NCC1CC1 665114770 XFCRGTANAGYALR-CABZTGNLSA-N 197.322 2.190 0 20 AEAD FC(F)CN1CC[C@H](C2CCC2)C1 665286032 CNZWJVOJKNOLCZ-VIFPVBQESA-N 189.249 2.374 0 20 AEAD CC1(C)C[C@@H]1NC(=O)[C@H]1CC12CCC2 665643085 VZXJYWLELFTKRI-BDAKNGLRSA-N 193.290 2.091 0 20 AEAD CC[C@@H](C)CCNC(=O)N1CC[C@@H]1C 665977650 YMEIWTQEJXFSMF-ZJUUUORDSA-N 198.310 2.226 0 20 AEAD CC[C@@H]1CC[C@H]1NC[C@@H](C)CCOC 666195237 VMERERRWGFKOHU-QJPTWQEYSA-N 199.338 2.437 0 20 AEAD C[C@@H](O)C1(N[C@@H]2CCC(C)(C)C2)CC1 668700806 VVODMGLAJMBMGA-NXEZZACHSA-N 197.322 2.068 0 20 AEAD CC1(C)C[C@]1(C)NC[C@@H]1CCC=CO1 702017260 PQPLSBPNPVESBW-JQWIXIFHSA-N 195.306 2.457 0 20 AEAD C[C@H](COc1cnn(C)c1)C(C)(C)C 711201422 UOJCFNLNTDJIGV-SECBINFHSA-N 196.294 2.481 0 20 AEAD CCC(CC)CC(=O)NOCC1CC1 817334205 FNFJATNNCSTPPC-UHFFFAOYSA-N 199.294 2.271 0 20 AEAD C[C@H](C(=O)NOCC1CC1)C(C)(C)C 817363267 ZHIBUUBRNSXXDR-MRVPVSSYSA-N 199.294 2.126 0 20 AEAD CC/C=C/COC(=O)[C@H]1CC1(F)F 835090703 KHVLBRZQSBWIIB-KGGZQZJCSA-N 190.189 2.151 0 20 AEAD CCC/C=C\C(=O)N1CC[C@@H]2C[C@@H]2C1 856060892 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TWRKLWVVDWCTMG-MWLCHTKSSA-N 196.294 2.231 0 20 AEAD C[C@@H](O)CN1CCC[C@@H]1C1CCCC1 45086102 KGHYFKDYEWQSSP-ZYHUDNBSSA-N 197.322 2.022 0 20 AEAD CCC[C@H](CC)NC[C@H]1CCCO1 50404808 CBLPVIWZMHUHMX-WDEREUQCSA-N 185.311 2.334 0 20 AEAD CN(CCCCCO)C1CCCCC1 51019762 IYWKMABUTHORLM-UHFFFAOYSA-N 199.338 2.414 0 20 AEAD CC[C@@H](C)[C@@H](C)NCCCCCO 51021053 COHJAHBHRLXNLE-GHMZBOCLSA-N 187.327 2.173 0 20 AEAD CCCNC(=O)c1ccc(CC)s1 70187063 XOAANCAQPDFAHO-UHFFFAOYSA-N 197.303 2.450 0 20 AEAD C[C@H](N(C)C(=O)C1CC1)C(C)(C)C 70225781 XJHQOAILIMDGAY-QMMMGPOBSA-N 183.295 2.289 0 20 AEAD Cc1ccc(F)cc1N[C@@H]1CCOC1 70964046 BCNZPTSIARQFGQ-SNVBAGLBSA-N 195.237 2.335 0 20 AEAD CCCCNC[C@H]1CCN(CCC)C1 76453486 LFAAGZANPNKUMF-GFCCVEGCSA-N 198.354 2.108 0 20 AEAD CC1(C)[C@@H](CN)[C@H]1c1ccccc1 76600925 PVAFHOMOTYOYJU-WDEREUQCSA-N 175.275 2.385 0 20 AEAD COc1cc(CN)cc2c(C)coc12 82889361 PPPOFYILBYWJLZ-UHFFFAOYSA-N 191.230 2.209 0 20 AEAD Cc1cc(CN[C@H]2CCC[C@H]2C)on1 83391035 YCJYGDZEOLDYIO-KCJUWKMLSA-N 194.278 2.261 0 20 AEAD C[C@@H](CCO)SCc1cccnc1 83812431 NYNSSOFSLZPMOX-VIFPVBQESA-N 197.303 2.086 0 20 AEAD Cc1ccc(F)c([C@H](F)C(=O)O)c1 86242842 MEWNZNYMYLHJEO-QMMMGPOBSA-N 186.157 2.229 0 20 AEAD CC[C@H]1CCC[C@@H](n2cc(N)nn2)C1 86491453 GEVRFZSHOHCQBS-DTWKUNHWSA-N 194.282 2.002 0 20 AEAD C[C@H]1CCCC[C@@H]1CNCCF 87774981 UWAUNZSNJKSBPI-VHSXEESVSA-N 173.275 2.372 0 20 AEAD Nc1cccc2nc(Cl)oc12 95930330 SLZJVKJTEOLOTF-UHFFFAOYSA-N 168.583 2.063 0 20 AEAD Cc1ccc([C@](C)(F)CN)cc1C 108294094 ACLKEQSFNWOWFR-LLVKDONJSA-N 181.254 2.447 0 20 AEAD C[C@@H](O)CCN(C)C[C@H]1CC=CCC1 128431565 UZKXBXBBXVGCGP-NEPJUHHUSA-N 197.322 2.045 0 20 AEAD CCC[C@H](CC)NCC1(O)CCC1 132750185 BJBIZOPYWNEONV-JTQLQIEISA-N 185.311 2.070 0 20 AEAD CCC(O)(CC)CN[C@H](C)C1CCC1 133020831 OBFNEIGZCMIKCI-SNVBAGLBSA-N 199.338 2.316 0 20 AEAD COCC[C@H](C)N[C@@H](C)C1CCC1 133087029 LGCDRMHOPSSXML-UWVGGRQHSA-N 185.311 2.190 0 20 AEAD C1=CCC(Nc2nccs2)C1 133332897 SFQIDDXGGPOLPW-UHFFFAOYSA-N 166.249 2.274 0 20 AEAD CCC(CC)CNC(C)(C)CCO 162643733 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2.208 0 20 AEAD CC1(C(=O)NCC2CC2)CCCC1 306676215 VMHYLRLCYOJDRQ-UHFFFAOYSA-N 181.279 2.093 0 20 AEAD CSCS[C@H]1CCCOC1 307255766 ZUQAMMHAGQJGJI-ZETCQYMHSA-N 178.322 2.219 0 20 AEAD c1cnc(SC2CCC2)cn1 307329371 LNULEOMDFTYMKJ-UHFFFAOYSA-N 166.249 2.121 0 20 AEAD CC[C@](C)(O)CN1C[C@H](C)[C@H](C)[C@H]1C 307546408 ZOVWETPNEDHSSX-YFKTTZPYSA-N 199.338 2.124 0 20 AEAD CCCCNc1cc2c(nn1)CCC2 307563074 OXPOKQKHKJDFJI-UHFFFAOYSA-N 191.278 2.177 0 20 AEAD COC[C@H](C)SCCOC(C)C 307976273 LKDHKZMEFVUCAD-VIFPVBQESA-N 192.324 2.180 0 20 AEAD CO[C@H](C)[C@@H](C)N[C@H]1CC[C@H](C)C1 308249765 ASKJXUZSSXFYIJ-ZDCRXTMVSA-N 185.311 2.188 0 20 AEAD CC(C)C1CCC(CNCCO)CC1 308460135 AZQKSUGVPDHNPU-UHFFFAOYSA-N 199.338 2.031 0 20 AEAD C[C@@H]1CCC[C@H](NCCC(C)(C)N)C1 308473109 AGYQASIOPKFPBP-MNOVXSKESA-N 198.354 2.282 0 20 AEAD C[C@@H](NC(=O)[C@@H]1CC=CCC1)C1CC1 334528056 TTXOJRCWVYKROZ-MWLCHTKSSA-N 193.290 2.257 0 20 AEAD CN(C(=O)C1C(C)(C)C1(C)C)C1CC1 334841191 IHVYWXAATPDHDQ-UHFFFAOYSA-N 195.306 2.289 0 20 AEAD 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171.284 2.051 0 20 AEAD CCOc1ccc(-n2cccn2)cc1 80447658 JYNKKPPERABMCA-UHFFFAOYSA-N 188.230 2.271 0 20 AEAD Cc1ccc(CC(=O)NC(C)(C)C)o1 82317234 DDGVORGAFBXGPX-UHFFFAOYSA-N 195.262 2.045 0 20 AEAD C[C@@H]1CC[C@@H](NCC2(O)CCCC2)C1 83464220 XMOGDSAJENUDLU-GHMZBOCLSA-N 197.322 2.070 0 20 AEAD Cc1cc(O)ccc1[C@@H](N)C(C)C 84445752 OFFCJRHYHZKFQL-NSHDSACASA-N 179.263 2.356 0 20 AEAD CC[C@@H](CO)N[C@@H]1CCCCC1(C)C 86842752 BHVVFYFBSPMKSK-WDEREUQCSA-N 199.338 2.316 0 20 AEAD O=[S@](CC1CC1)c1cccc(F)c1 87113990 NAZNKZSQKRIRGC-ZDUSSCGKSA-N 198.262 2.343 0 20 AEAD CC(=O)CC(=O)c1cccc(F)c1F 104451583 URIREYUAPQQWAQ-UHFFFAOYSA-N 198.168 2.127 0 20 AEAD CCCN(CCO)CC(CC)CC 128349558 XKCRSTOWCAUADD-UHFFFAOYSA-N 187.327 2.127 0 20 AEAD O[C@@H]1C[C@@H](C2CC2)Oc2ccccc21 131045145 SMQFEPZOZSUYDJ-PWSUYJOCSA-N 190.242 2.281 0 20 AEAD CC/C=C/CCOC(=O)CCC(C)=O 135977473 WVABNTSULPSDJL-SNAWJCMRSA-N 198.262 2.255 0 20 AEAD CCCC[C@H](C)NC[C@H]1CCCN1C 166881463 ZBJFGXARNVTVFM-NWDGAFQWSA-N 198.354 2.249 0 20 AEAD 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2.172 0 20 AEAD CCOC[C@@H](C)N[C@@]1(C)CC1(C)C 658308252 OJCQGRQYVINBEE-KOLCDFICSA-N 185.311 2.190 0 20 AEAD CC(C)=CCCN1CCN[C@@H](C)[C@@H]1C 662271025 DTFGMDDESQHPJS-RYUDHWBXSA-N 196.338 2.025 0 20 AEAD CNC[C@H](C)N[C@@H](C)CCC=C(C)C 665293821 DIEPBNRJCHRZDL-RYUDHWBXSA-N 198.354 2.319 0 20 AEAD CC(C)COCCN1CCC(C)CC1 669687660 QWVKFGAPPWVVOV-UHFFFAOYSA-N 199.338 2.391 0 20 AEAD CCCCOCCN1C[C@@H](C)[C@H](C)C1 674459776 UOWKYFMLVKOTFV-VXGBXAGGSA-N 199.338 2.391 0 20 AEAD CO[C@H](C)CN1C[C@H](C)CC(C)(C)C1 680089360 DIFWWDCVAYLFTH-GHMZBOCLSA-N 199.338 2.389 0 20 AEAD CC[C@H](C)CN1CCC[C@@]1(CC)CO 682222248 LXNIVABBVHNLCB-RYUDHWBXSA-N 199.338 2.269 0 20 AEAD CC[C@]1(C)CN(C[C@@H]2C[C@@H]2C)CCO1 683111040 QABQEFAJFHRIAS-SDDRHHMPSA-N 197.322 2.143 0 20 AEAD CC[C@H](C)NCCCC(F)F 688713859 RFFDZUGFGCWMRC-ZETCQYMHSA-N 165.227 2.420 0 20 AEAD CCCC[C@@H](C)C(=O)NOCC1CC1 817339653 RFHQLHUWKXWFFL-SECBINFHSA-N 199.294 2.271 0 20 AEAD CCCCNC(=N)NC(CC)CC 864451914 KPSJHZHAJNQTJA-UHFFFAOYSA-N 185.315 2.089 0 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20 AEAD Fc1cccnc1N1CCC(F)CC1 882806853 VDUDZDZAMLIDCS-UHFFFAOYSA-N 198.216 2.159 0 20 AEAD CC1CC(COC(=O)c2cc[nH]c2)C1 909053791 XEJMBJQMCCTEKI-UHFFFAOYSA-N 193.246 2.218 0 20 AEAD CC[C@H]1CCN(C(=O)C2CCC2)[C@H]1C 1537762830 JBLTYAAJYXAQDC-UWVGGRQHSA-N 195.306 2.434 0 20 AEAD Cc1ccc(NCc2cccnc2)nc1 21806030 NRQKWYAVHGFTHV-UHFFFAOYSA-N 199.257 2.397 0 20 AEAD CCCCNCc1ccoc1C 37927286 TWXZXXBMOGITAZ-UHFFFAOYSA-N 167.252 2.478 0 20 AEAD CCC(CC)N[C@@H]1CCN(C2CC2)C1 44684310 OKXNKITYQRPNKD-LLVKDONJSA-N 196.338 2.001 0 20 AEAD CCC[C@@H](CC)Nc1ncccn1 50164997 DPVZGSJLOOXZIG-SECBINFHSA-N 179.267 2.467 0 20 AEAD CC(C)=CCN1C[C@@H](C)OC[C@H]1C 58245041 UMPKLGVUKAJYHZ-GHMZBOCLSA-N 183.295 2.062 0 20 AEAD C[C@@H]1C[C@H](NC2CCCC2)CCO1 69856449 DSSQMUJJSQQLHK-MWLCHTKSSA-N 183.295 2.086 0 20 AEAD CC[C@@H](C)NC[C@H]1CCSC1 69982019 NPEMHKNWEZRAMW-RKDXNWHRSA-N 173.325 2.128 0 20 AEAD CCC[C@@H](CC)NCC1(C)COC1 70617444 ZNZGPTTXUCQZGF-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD COC(=O)NC(C)(C)c1cccs1 82353400 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2.034 0 20 AEAD CCCOC(=O)C[C@H](C)SC 138312484 MZYCXNDEQNTRHI-ZETCQYMHSA-N 176.281 2.081 0 20 AEAD CC[C@H](C)Nc1ncncc1Cl 163573153 KQUOCEYARSFXIR-LURJTMIESA-N 185.658 2.340 0 20 AEAD CCC[C@H](C)[C@H](CC)N[C@H](C)CO 166787071 KCXHVXUIPUBGNV-AXFHLTTASA-N 187.327 2.172 0 20 AEAD CO[C@H](C)CNCc1ccc(C)s1 167055850 MCZFMOPVQVRMNI-MRVPVSSYSA-N 199.319 2.181 0 20 AEAD CCCOc1ccc2c(c1)ncn2C 198922217 REKZXLJPQWSTJG-UHFFFAOYSA-N 190.246 2.362 0 20 AEAD CC(C)(C)[C@H](CCO)NCCC1CC1 230893484 LBBLOYOVCHDHJV-NSHDSACASA-N 199.338 2.173 0 20 AEAD C[C@H](CO)CN[C@@H]1C[C@H](C)CC[C@@H]1C 252159816 PRJXUYACEZSOFA-NOOOWODRSA-N 199.338 2.029 0 20 AEAD CC(C)CN(C)CC1CCC(=O)CC1 258912084 MGFLFQNHSHBCDU-UHFFFAOYSA-N 197.322 2.334 0 20 AEAD OCCN(CCC1CCCC1)C1CC1 300717644 USZWVKIOMITWHI-UHFFFAOYSA-N 197.322 2.023 0 20 AEAD C[C@@H]1CCC[C@H]1NC(=O)C1CCC1 306148760 BKIUCFYDZBFPGY-PSASIEDQSA-N 181.279 2.091 0 20 AEAD FCCN1CC[C@H]1c1ccccc1 306334533 RNGVZEOHEPZNOF-NSHDSACASA-N 179.238 2.403 0 20 AEAD Cc1cc(CSC(C)C)nn1C 306857872 YULJBPCHTIPQKH-UHFFFAOYSA-N 184.308 2.370 0 20 AEAD CC1(CN[C@H]2CC=CCC2)CC1 307262267 RRFFUDQRHCIBNS-JTQLQIEISA-N 165.280 2.485 0 20 AEAD CC[C@H](C)N1CCC(O)(CC)CC1 307459006 GZFFKSODGDEDTK-JTQLQIEISA-N 185.311 2.022 0 20 AEAD CC(C)=CC(=O)O[C@H]1CCSC1 307605238 XXNKHRXCZLXAIS-QMMMGPOBSA-N 186.276 2.001 0 20 AEAD C[C@H]1C[C@@H](C)CN1CCCCF 307949767 MXFJDEXRYGLGPV-ZJUUUORDSA-N 173.275 2.466 0 20 AEAD FCCN(C1CCC1)C1CCC1 308093120 VQNZTGHPEXDZMB-UHFFFAOYSA-N 171.259 2.363 0 20 AEAD O=C(CCC1CCC1)NC1CCC1 308201497 YPTCLHMDVZQUBY-UHFFFAOYSA-N 181.279 2.235 0 20 AEAD CCCN1CCCC[C@@H](COC)C1 308247911 YJZAZDRGGTZUGB-LLVKDONJSA-N 185.311 2.145 0 20 AEAD C[C@H]1C[C@H]1CN(C)Cc1cscn1 308304230 NNISIRFDLWVAJA-IUCAKERBSA-N 196.319 2.231 0 20 AEAD CC/C=C\CCN[C@@H](CO)C(C)(C)C 308604688 PGTNTXRCOSWINI-ZADCQDASSA-N 199.338 2.339 0 20 AEAD CC[C@@H](NCCC(C)(C)O)C1CCC1 322481974 UKUSGXSJJVJSPD-LLVKDONJSA-N 199.338 2.316 0 20 AEAD C[C@@H]1CC[C@@H](C)N1CC1CC1 334142620 OJICNEIWNXAAFO-RKDXNWHRSA-N 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C[C@@H](CNC[C@H]1CCCOC1)C1CC1 162528622 RVVMYGIODPIEQG-WDEREUQCSA-N 197.322 2.049 0 20 AEAD C[C@H](O)C[C@H](C)N[C@@H]1CCC(C)(C)C1 164559080 SBRPCXMRRYFDCG-GARJFASQSA-N 199.338 2.314 0 20 AEAD C[C@@H]1C[C@@H]1CNc1nccnc1Cl 167224775 CHOHTSYNULFYLA-RNFRBKRXSA-N 197.669 2.198 0 20 AEAD CC[C@@H](CCO)N[C@@H](C)C(C)(C)C 168124816 QWDMWHVANYTBGV-UWVGGRQHSA-N 187.327 2.172 0 20 AEAD CC(=O)OC1[C@@H](C)CCC[C@@H]1C 196660110 OGLBQNMNRRFRNA-YUMQZZPRSA-N 170.252 2.374 0 20 AEAD CC[C@@H](C)C(=O)N1CCC[C@H]1C 202042478 KVASIWWWNRBUGY-RKDXNWHRSA-N 169.268 2.043 0 20 AEAD CCC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 202764777 WJFAVWRNUHGOQJ-MXWKQRLJSA-N 185.311 2.284 0 20 AEAD Nc1cccc(-c2ccsn2)c1 206839468 DTFUUPJQZRPHTK-UHFFFAOYSA-N 176.244 2.392 0 20 AEAD CC1(C)COC2(CCC(=O)CC2)C1 222525204 YZGKDDBSKNDILI-UHFFFAOYSA-N 182.263 2.315 0 20 AEAD CCCCOCCNCC1(C)CC1 226376771 ZXNAKBFRKWNHEK-UHFFFAOYSA-N 185.311 2.193 0 20 AEAD CCC1(CNc2cnccn2)CC1 226808502 KKJCRUDAXMWMRY-UHFFFAOYSA-N 177.251 2.079 0 20 AEAD CN(CC1CCC1)[C@@H]1CCCC[C@H]1O 230946481 OWNOIOMYSQOGBO-VXGBXAGGSA-N 197.322 2.022 0 20 AEAD C[C@H](CO)CNC[C@@H]1CCCC[C@H]1C 252850512 HOMGRNQYUDMJLZ-TUAOUCFPSA-N 199.338 2.031 0 20 AEAD CCCN(CC)C(=O)C=C(C)C 300754707 JDSJHNWONFPWOH-UHFFFAOYSA-N 169.268 2.211 0 20 AEAD CC(C)=CC(=O)N1C[C@H](C)[C@@H](C)C1 300765339 RLUWOHWQAXQQTF-UWVGGRQHSA-N 181.279 2.067 0 20 AEAD CC(C)(C)c1nsc(N2CCC2)n1 306215833 IFJQKMSOSPXRSP-UHFFFAOYSA-N 197.307 2.046 0 20 AEAD C1CO[C@H](CNC2CC3(CCC3)C2)C1 306360312 AAUWAJLPMXQCJS-NSHDSACASA-N 195.306 2.088 0 20 AEAD C[C@H]1CC[C@H](C)C1NC1CCOCC1 306374753 VTYWOOBPRFYJNY-UWVGGRQHSA-N 197.322 2.190 0 20 AEAD Cc1noc(C2(CC(C)C)CC2)n1 306425603 HHIJZNDSRFPUAM-UHFFFAOYSA-N 180.251 2.456 0 20 AEAD OCCNc1ccc(C(F)F)cc1 307003797 CYEDHTMBVLABHX-UHFFFAOYSA-N 187.189 2.028 0 20 AEAD CC(C)(F)C(=O)NCC1=CCCCC1 307039103 HYOWYSMPWMHHQC-UHFFFAOYSA-N 199.269 2.351 0 20 AEAD C[C@@H]1CC[C@@H](S[C@H](C)CO)C1 307229182 ZGJVBAOBIPMIIW-IWSPIJDZSA-N 174.309 2.289 0 20 AEAD C/C(=C\c1nnc(C)o1)C1CC1 307299663 RNZFGNLCTODKJY-AATRIKPKSA-N 164.208 2.191 0 20 AEAD CC[C@H](C)C(=O)N[C@@H]1CC=CCC1 307540305 RATNNGBMLQIIGN-VHSXEESVSA-N 181.279 2.257 0 20 AEAD Cn1cccc1CN[C@H]1CC[C@H](F)C1 307690019 HGRBIOUMOKFALY-UWVGGRQHSA-N 196.269 2.005 0 20 AEAD O=C(CC1CC1)N[C@H]1CC=CCC1 307744406 OOBLBYMIVUSGGX-JTQLQIEISA-N 179.263 2.011 0 20 AEAD CCCC[C@H](N[C@H]1CC[C@@H]1C)C(=O)O 308475530 DMGGAYDOADGNLB-GUBZILKMSA-N 199.294 2.018 0 20 AEAD COCCN[C@@H](C)c1cc(C)c(C)o1 308620207 SUIKCVYQWFZSCV-VIFPVBQESA-N 197.278 2.193 0 20 AEAD CC[C@H](N[C@H](CC)C1CCC1)[C@@H](C)O 322503751 FAQBHJLJMNQSEW-ADEWGFFLSA-N 199.338 2.314 0 20 AEAD C[C@H](C(=O)N1CCC[C@H]1C)C1CCC1 335094693 SPZGNLIGHMSNDX-ZJUUUORDSA-N 195.306 2.434 0 20 AEAD Cc1cc(N(C)[C@H]2CC2(C)C)ncn1 335711590 MIULTVKWXQMCCY-VIFPVBQESA-N 191.278 2.020 0 20 AEAD C[C@H]1CCN(C(=O)CCC2CC2)[C@@H]1C 336081392 WHDNLCPHNWOOLK-VHSXEESVSA-N 195.306 2.434 0 20 AEAD CS[C@@H]1CCN(CC2CCC2)C1 336254768 NGNWVFYVBWZWNJ-SNVBAGLBSA-N 185.336 2.224 0 20 AEAD CCCOC(=O)N(C)CCC1CC1 379354069 HKAUPWHEOQFRNA-UHFFFAOYSA-N 185.267 2.265 0 20 AEAD CC[C@@H]1CC[C@@H](C)C[C@@H]1NC[C@@H](C)O 379629382 MBWWOKWDTPHXGJ-KKOKHZNYSA-N 199.338 2.172 0 20 AEAD Cc1ccnc(CNc2ccccn2)c1 392874745 DTFSUVRIWSLZQB-UHFFFAOYSA-N 199.257 2.397 0 20 AEAD COCC1(N[C@H]2CCCC[C@H]2C)CC1 393684181 ROACPKRAAHDPAO-MNOVXSKESA-N 197.322 2.334 0 20 AEAD CC(C)[C@H](C)N(C)CCC1(O)CCC1 396925770 UTQCFYDCZOORAH-NSHDSACASA-N 199.338 2.268 0 20 AEAD C[C@H](N[C@H]1CO[C@H](C)C1)C1CCCC1 401907294 ILBBBMOVYSMLFT-JFGNBEQYSA-N 197.322 2.332 0 20 AEAD CC[C@@H]1C[C@H]1NC(=O)c1cocc1C 529250811 UOCVQQIYJMCJOW-PSASIEDQSA-N 193.246 2.116 0 20 AEAD CCCN1CCOC[C@H]1c1ccco1 604887036 QRPHRVOYJSUQRV-JTQLQIEISA-N 195.262 2.063 0 20 AEAD CC[C@H](C)C(=O)N[C@@H](CC)C1CC1 618862767 ATHIUHOOPIMCMF-WPRPVWTQSA-N 183.295 2.337 0 20 AEAD Cc1cnc(CNC[C@H](C)C2CC2)o1 638421508 SXOHICGQUAIBAB-QMMMGPOBSA-N 194.278 2.119 0 20 AEAD CCNCCCN[C@H](C)C1CCCC1 643498851 LVBWZBWHHVOIRJ-LLVKDONJSA-N 198.354 2.154 0 20 AEAD CCN(C[C@H](C)O)[C@@H]1CCCC[C@H]1C 656501118 HMGHYFMMFGNVPG-GRYCIOLGSA-N 199.338 2.268 0 20 AEAD CO[C@H](CN(C)C1CC1)C1CCCC1 659842140 KDEDIFMNJBXSJM-GFCCVEGCSA-N 197.322 2.286 0 20 AEAD COC[C@H]1CCCN1CCC=C(C)C 659989402 KFGIXGBBRYDOEB-GFCCVEGCSA-N 197.322 2.454 0 20 AEAD CO[C@H](CNCC1(C)CC1)CC(C)C 669572635 YOBCFGVHEZLQJA-NSHDSACASA-N 199.338 2.437 0 20 AEAD CCCN1CC[C@@H](OCC(C)C)C1 675249906 KRRCWMRUHRDBCR-LLVKDONJSA-N 185.311 2.143 0 20 AEAD CC(C)CCN1CCC[C@@H]([C@@H](C)O)C1 677697736 CBBGYITYRNJHPF-VXGBXAGGSA-N 199.338 2.125 0 20 AEAD CCC[C@H](C)N1CC=C(COC)CC1 682075266 VRIQEYTZBNRAQL-NSHDSACASA-N 197.322 2.454 0 20 AEAD CCN(CC)CCCN1CCC[C@@H]1C 683141247 SEKSGVGTTZKZBK-LBPRGKRZSA-N 198.354 2.203 0 20 AEAD C[C@H](CC(=O)N1CCC[C@H]1C)C1CC1 751996517 YTZGGHMEKMKIBG-NXEZZACHSA-N 195.306 2.434 0 20 AEAD C[C@@H]1CCC[C@@H]1NC(=O)C=C1CCC1 755292383 OAGZXRLJDPIFPM-KOLCDFICSA-N 193.290 2.402 0 20 AEAD O=C(NCCC1CCC1)C1=CCCC1 760613900 DZRSMPOAWWWJMK-UHFFFAOYSA-N 193.290 2.403 0 20 AEAD 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929461515 LDWYOSFPHRFWML-LLVKDONJSA-N 199.338 2.269 0 20 AEAD CC1CC(CN2CC[C@H](C)C2)C1 929461657 LMRAMXHPIXGSPY-WHXUTIOJSA-N 167.296 2.374 0 20 AEAD CC[C@@H]1C[C@H]1CN1CCCO[C@@H](C)C1 929488353 NCLCSRGOIRSOLO-TUAOUCFPSA-N 197.322 2.143 0 20 AEAD CC[C@@H]1CCCN1CCOC1CC1 929493021 VCIHKEVKFICKOI-SNVBAGLBSA-N 183.295 2.040 0 20 AEAD CC1CC(CN2CCO[C@@H](C)[C@@H]2C)C1 929842281 CAAAUTGUQFYCLM-YECOWLKZSA-N 197.322 2.142 0 20 AEAD CC[C@@H](F)C(=O)NC(C1CC1)C1CC1 1120631732 RRWZBRLTHPSHJE-SECBINFHSA-N 199.269 2.039 0 20 AEAD O=C(Nc1ccsc1)[C@H]1C[C@@H]1F 1121116129 GVFWWDPUVKFIOX-BQBZGAKWSA-N 185.223 2.045 0 20 AEAD Clc1ccnc(N2C[C@H]3C[C@@H]3C2)c1 1262705666 OXPPCCPLPSMCNE-HTQZYQBOSA-N 194.665 2.191 0 20 AEAD CN[C@H](C)CCNCCC(C)(C)C 1325320926 RHKRVIHXJUCGRN-SNVBAGLBSA-N 186.343 2.010 0 20 AEAD CCC[C@@H](C)NC(=O)CC(C)C 5591414 RGJVSCQBNSNANY-SECBINFHSA-N 171.284 2.337 0 20 AEAD CCCCCCNC(=O)CC 6042134 WVNFFHLXDXOSGO-UHFFFAOYSA-N 157.257 2.093 0 20 AEAD COc1cccc2oc(C)cc(=O)c12 14488845 VMYWMHRGHYPDRO-UHFFFAOYSA-N 190.198 2.110 0 20 AEAD biogenic,in-vitro CC(C)NC(=O)/C=C\c1ccccc1 17160851 AVAHCIRTDWIRQJ-HJWRWDBZSA-N 189.258 2.224 0 20 AEAD CCC[C@H](C)N[C@H](C)[C@@H]1CCCO1 20208008 HSEUITFRNWNDSF-AXFHLTTASA-N 185.311 2.332 0 20 AEAD COC(=O)N1CCCCCCC1 20495679 OMCPTPHOBGATTB-UHFFFAOYSA-N 171.240 2.019 0 20 AEAD CCC(CC)NCc1nccs1 22862224 NQVWUFGDIQNNIV-UHFFFAOYSA-N 184.308 2.421 0 20 AEAD CCOC(=O)[C@H](F)Cc1ccccc1 34592369 SZOMJTMVONTRCP-SNVBAGLBSA-N 196.221 2.130 0 20 AEAD CC(C)(C)CCNC[C@@H]1CCCO1 37855253 USJHIYZKBCUEOP-JTQLQIEISA-N 185.311 2.191 0 20 AEAD CC[C@@H](C)NC(=S)NC(C)(C)C 39336089 HNHAUTOYMGIGCQ-SSDOTTSWSA-N 188.340 2.048 0 20 AEAD CC[C@H](C)NC(=O)N1CCCC[C@@H]1C 39971660 ZXKZYJWICPKDED-UWVGGRQHSA-N 198.310 2.369 0 20 AEAD C[C@@H](O)CCCOc1ccccc1 41201305 FFVFHZFOXKNRMJ-SNVBAGLBSA-N 180.247 2.226 0 20 AEAD N[C@@H](c1ccco1)C1CCC1 43607135 YBUKTUHQDKFMPA-SECBINFHSA-N 151.209 2.080 0 20 AEAD Cc1nc(Cl)cc(N(C)C2CC2)n1 52836028 NDPORBDECPJHNQ-UHFFFAOYSA-N 197.669 2.037 0 20 AEAD CCCc1csc(CNCC)n1 53294524 XMXZLFHKENWQAE-UHFFFAOYSA-N 184.308 2.205 0 20 AEAD CCCC[C@@H](C)NCCC(C)(C)N 82773323 GEGCUOXTXJNCGT-SNVBAGLBSA-N 186.343 2.282 0 20 AEAD CCCCCN[C@@H](COC)C(C)C 83398658 IIUWOMFLOBYAQE-NSHDSACASA-N 187.327 2.437 0 20 AEAD C[C@H](CO)CSCC1CCC1 85139345 VYSUIGJUPJOPTA-MRVPVSSYSA-N 174.309 2.148 0 20 AEAD CC[C@](C)(CN)[C@@H](O)CC(C)(C)C 85919944 LVILJZFTERXBMK-GXSJLCMTSA-N 187.327 2.159 0 20 AEAD CCC[C@H](CN)[C@H](O)c1cccs1 86324928 UQQVGIVXXUNPHO-SCZZXKLOSA-N 199.319 2.157 0 20 AEAD C[C@@H]1Oc2ccc(N)cc2[C@@H]1C 95883784 UZJCBTHQFUACFY-RQJHMYQMSA-N 163.220 2.153 0 20 AEAD CCC[C@@H](O)CN[C@H](C)c1ccoc1 133621777 NWDLBWWOVUTEON-MWLCHTKSSA-N 197.278 2.091 0 20 AEAD CCCCCNc1nccc(OC)n1 157520477 WZMSJQPPLJMQCK-UHFFFAOYSA-N 195.266 2.087 0 20 AEAD C[C@]1(CO)CCC[C@@H]1NC1CCCC1 164790965 GSDAVZRUUVQWEU-NWDGAFQWSA-N 197.322 2.070 0 20 AEAD CCC(CC)(CC)C(=O)N(C)OC 216161936 YJEBUXYLOJCUBF-UHFFFAOYSA-N 187.283 2.223 0 20 AEAD O=C(O)c1nc(C2CCC2)cs1 218056418 VRUYPUROWLPLDQ-UHFFFAOYSA-N 183.232 2.109 0 20 AEAD CC(C)CCNCC[C@@H]1CCOC1 220503981 PIKDFYQWXFOVGA-LLVKDONJSA-N 185.311 2.049 0 20 AEAD CC(=O)N[C@@H]1CCC[C@@H](C)CC1 226322900 WONHXBMXXBJYEW-PSASIEDQSA-N 169.268 2.091 0 20 AEAD C[C@H]1CCC[C@@H](NCc2ccno2)C1 231884768 HXMWJMPGWGOITL-VHSXEESVSA-N 194.278 2.343 0 20 AEAD CC(C)=CCN[C@@H](C)c1nccn1C 235515538 UURDNPGYJUVEKQ-JTQLQIEISA-N 193.294 2.037 0 20 AEAD CO[C@@H]1CCC[C@@H](N[C@H](C)C2CC2)C1 251630712 RCNNWJSSYNMDLQ-YUSALJHKSA-N 197.322 2.332 0 20 AEAD CC[C@H](C)[C@H](C)N[C@H]1CCOC[C@H]1C 300883793 SHKHBRYDJITYCL-USZNOCQGSA-N 199.338 2.436 0 20 AEAD COc1ccc2cc(O)cnc2c1F 306560283 MDXXSJIONRSZLK-UHFFFAOYSA-N 193.177 2.088 0 20 AEAD CC1(Cn2ccnc2N)CCCCC1 306791648 YLUARLDZLJNSKT-UHFFFAOYSA-N 193.294 2.436 0 20 AEAD C[C@H]1[C@H](C)CCN1C[C@@H](O)C(C)(C)C 306997667 XBKDMUUFCNRWCA-OUAUKWLOSA-N 199.338 2.124 0 20 AEAD Cc1cncc(NCCC(C)C)n1 307210507 QXFVQWVAGXZFPE-UHFFFAOYSA-N 179.267 2.243 0 20 AEAD CN(C)C(=O)c1cc2occc2s1 307632189 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133122384 IJVUSFCLJUURIB-SECBINFHSA-N 187.327 2.172 0 20 AEAD CCC[C@@H](O)CN[C@@H]1CCCC1(C)C 133622203 VFCOFLAKQYJDDF-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD CCOC(=O)C[C@@H](C)c1ccco1 139099808 KCSWSCKYYQPHRM-MRVPVSSYSA-N 182.219 2.336 0 20 AEAD c1cc(CN2CCCCCC2)ccn1 142304887 XOHORRDMJJFPIH-UHFFFAOYSA-N 190.290 2.458 0 20 AEAD CC(C)[C@H](CCO)N[C@H]1CCC[C@H]1C 165816397 XKZRFZCUOZZFCY-WOPDTQHZSA-N 199.338 2.172 0 20 AEAD CC(C)=CCC[C@H](C)NCCCO 166251273 TWLPPJFBCWIEPI-NSHDSACASA-N 185.311 2.093 0 20 AEAD CC1CC(NCC2CCC2)C1 166624346 JPUSTCNFKZWODH-UHFFFAOYSA-N 153.269 2.175 0 20 AEAD CC(C)[C@@H](NC1CCOCC1)C1CC1 166652563 NGVBWPLLGSWBQO-GFCCVEGCSA-N 197.322 2.190 0 20 AEAD CC(C)c1noc(-c2ccco2)n1 200360304 SJOZUKOSHMYMBN-UHFFFAOYSA-N 178.191 2.453 0 20 AEAD Cc1cc(C)cc(C(F)(F)CO)c1 202367711 GZFMBEQCNVUXDA-UHFFFAOYSA-N 186.201 2.388 0 20 AEAD CC(C)N1Cc2ccc(O)cc2C1 212722075 QOMZVQUZLCRFAW-UHFFFAOYSA-N 177.247 2.116 0 20 AEAD CC[C@H](O)CN[C@H](C)C[C@H](C)CC 227701386 QFHALBBSVDJBIQ-MXWKQRLJSA-N 187.327 2.172 0 20 AEAD CO[C@@H]1CCCC[C@H]1NC[C@@H]1C[C@@H]1C 228701408 OGXICZNUDPWQRS-NNYUYHANSA-N 197.322 2.190 0 20 AEAD CCCC[C@H](NCC=C(C)C)C(=O)O 229183363 MYFIQCGEXIHADH-JTQLQIEISA-N 199.294 2.186 0 20 AEAD COCCN[C@H]1CCC[C@@H](C(C)C)C1 230985080 IRPRBGCTVXTCSQ-NEPJUHHUSA-N 199.338 2.437 0 20 AEAD O[C@H]1CCOc2cccc(Cl)c21 238694031 BBADLNJGVRNVLC-ZETCQYMHSA-N 184.622 2.156 0 20 AEAD FCCN[C@H]1CCCc2occc21 306189000 CRRNJOZCOMBQMV-VIFPVBQESA-N 183.226 2.216 0 20 AEAD Cc1nnc(N[C@H]2CCC2(C)C)s1 306454472 LHMNFXADWMXRJE-ZETCQYMHSA-N 197.307 2.447 0 20 AEAD C[C@H]1CCCN1C[C@H]1CCC=CO1 306497460 RUULNGIVXYJKQO-WDEREUQCSA-N 181.279 2.163 0 20 AEAD CC1=C(C(=O)NCC2CC2)CCC1 306696549 WUCQCRJKSQBRDE-UHFFFAOYSA-N 179.263 2.013 0 20 AEAD CCNC(=O)C1CCC(C)(C)CC1 306715034 XXITXBHNIMHNAY-UHFFFAOYSA-N 183.295 2.339 0 20 AEAD OC1(CCN2CCCCCC2)CCC1 307342106 KEUIVXRHJUHDJD-UHFFFAOYSA-N 197.322 2.168 0 20 AEAD C[C@H]1CC[C@@H](NCC2=CCCOC2)C1 307435185 RTUDWIPGXYWHOQ-CMPLNLGQSA-N 195.306 2.111 0 20 AEAD C[C@@H](O)CN1CC[C@@H](CC(C)(C)C)C1 307842616 FMRWMNASCOQPOO-MNOVXSKESA-N 199.338 2.125 0 20 AEAD CC[C@@H](C)C(=O)N(CC)C1CC1 307947332 KUOSNCDUOAYPKV-MRVPVSSYSA-N 169.268 2.043 0 20 AEAD Cc1ncccc1CS[C@H](C)CO 308239366 XLIPOJPFQUWOAI-MRVPVSSYSA-N 197.303 2.004 0 20 AEAD CCC[C@@H]1C[C@H]1C(=O)N(C)C1CC1 308247091 XAPHJYCTTOBDCM-PSASIEDQSA-N 181.279 2.043 0 20 AEAD C[C@@H]1C[C@@H]1CN(C)Cc1ccoc1 308315948 VMEJECCASNGHTJ-MWLCHTKSSA-N 179.263 2.367 0 20 AEAD COCC[C@@H](C)N1CCC(C)CC1 308506855 ZPRLAUSMLXCPNT-LLVKDONJSA-N 185.311 2.143 0 20 AEAD FCCCN[C@@H]1CCc2cccnc21 308558077 UHRZSXKYSHEXPX-SNVBAGLBSA-N 194.253 2.018 0 20 AEAD Cc1cc([C@@H](C)N[C@H](C)C2CC2)no1 308631959 ZIGDTUXRNZHURX-RKDXNWHRSA-N 194.278 2.432 0 20 AEAD CCN(C)C(=O)c1cccc(F)c1C 335023713 XRUDREIELWMGEG-UHFFFAOYSA-N 195.237 2.226 0 20 AEAD CCC1(C(=O)N[C@@H]2C=CCCC2)CC1 335870813 KKTNFAMLARTZNS-SNVBAGLBSA-N 193.290 2.402 0 20 AEAD C[C@@H]1CC[C@@H](C)N(Cc2cc[nH]n2)C1 335944608 YHQFTMLQUJJOND-NXEZZACHSA-N 193.294 2.030 0 20 AEAD 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CCN(Cc1ccccn1)CC1CC1 601832178 HHTUTVZHCSIZHO-UHFFFAOYSA-N 190.290 2.314 0 20 AEAD O=C(Nc1cncc(Cl)c1)C1CC1 606272499 YXURUYBTIUUTIL-UHFFFAOYSA-N 196.637 2.084 0 20 AEAD CCCN(C)[C@H]1CCN(CC)[C@H](C)C1 607155824 JEJHEPRYKJEVFU-NEPJUHHUSA-N 198.354 2.201 0 20 AEAD CN(CCC1CC1)C[C@H]1CCCOC1 608497094 BBHSVTICTQYNKO-GFCCVEGCSA-N 197.322 2.145 0 20 AEAD CC[C@H](C)CCNC(=O)N1CC=CC1 637269255 LLQOQCQUBJSXBS-JTQLQIEISA-N 196.294 2.004 0 20 AEAD CC[C@H](C)N(C)Cc1ccc(O)nc1 637912417 WFYFCCOYBBBDBO-VIFPVBQESA-N 194.278 2.018 0 20 AEAD COCCC1(C)CN(CC2(C)CC2)C1 656796699 CNQHNRVYVZYKRM-UHFFFAOYSA-N 197.322 2.145 0 20 AEAD CN(CCCC1CCC1)CC(C)(C)O 659933423 ZGOAKUXTRWVCCE-UHFFFAOYSA-N 199.338 2.269 0 20 AEAD CC[C@H](C)N(CC)Cc1cnc[nH]1 661104484 OMUWDOGNPGVXBW-VIFPVBQESA-N 181.283 2.030 0 20 AEAD CCCCCN1C[C@@H](C)[C@](C)(CO)C1 662137739 AFBMTKRFEBQBCT-NEPJUHHUSA-N 199.338 2.127 0 20 AEAD CC(C)C[C@@H](C)CNC[C@H]1CCCN1 666783917 OIAARZAGHCDZCP-VXGBXAGGSA-N 198.354 2.010 0 20 AEAD CCC(CC)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 673962256 ORKPLCIFRGKEHP-URLYPYJESA-N 195.306 2.337 0 20 AEAD O=C(CC1CCC1)NC1(C2CC2)CC1 675496052 XNQQQJRYSSSRPX-UHFFFAOYSA-N 193.290 2.235 0 20 AEAD COCCN(C)[C@H](C)c1cccs1 680940901 LMDBFPWFPRVGPY-SECBINFHSA-N 199.319 2.387 0 20 AEAD O=C(C[C@H]1C=CCCC1)NCC1CC1 681651917 JBESTXRLYLLFJB-JTQLQIEISA-N 193.290 2.259 0 20 AEAD CC[C@@H]1COC[C@@H]1N[C@@H]1CC[C@@H](C)C1 699470673 NBIIBXNGYOZIOB-KKOKHZNYSA-N 197.322 2.190 0 20 AEAD C1=CO[C@H](CNC[C@H]2C=CCC2)CC1 711776159 COQLFZXJURLNHW-RYUDHWBXSA-N 193.290 2.235 0 20 AEAD C[C@H](NC[C@H]1C=CCC1)[C@@H]1CCCO1 711783591 DMONZUZGUMLXEJ-SRVKXCTJSA-N 195.306 2.110 0 20 AEAD CCC(=CC(=O)Nc1cn[nH]c1)CC 759143714 HGPGAVIWTLVHFF-UHFFFAOYSA-N 193.250 2.095 0 20 AEAD CCCN(C)C(=O)N1CCC=C(C)C1 797846821 QBHGBLAVYZSXQD-UHFFFAOYSA-N 196.294 2.100 0 20 AEAD CCCC(=O)OCc1cccnc1C 810886533 INIMSJZTEFXTOY-UHFFFAOYSA-N 193.246 2.233 0 20 AEAD CCCCOC(=O)CSC1CC1 835077712 IOQWOIIHFWYMHF-UHFFFAOYSA-N 188.292 2.225 0 20 AEAD FC1(F)[C@@H]2CN(CC3CC=CC3)C[C@@H]21 852213671 OEXJUUFNOFPRFJ-AOOOYVTPSA-N 199.244 2.150 0 20 AEAD C[C@@H]1C[C@@H]1C(=O)Oc1ccc(F)cc1 876305701 QNDCPQGGVDSTMR-XCBNKYQSSA-N 194.205 2.387 0 20 AEAD CCCCNCc1cccc(F)n1 906529239 JHXFAFOWYGGFAC-UHFFFAOYSA-N 182.242 2.110 0 20 AEAD C[C@@H]1CCC[C@@H](C)N1CCOC1CC1 929603087 BWBKKBQNOGKJRG-GHMZBOCLSA-N 197.322 2.428 0 20 AEAD COC[C@H]1CCN(CC2CC(C)C2)C1 929692416 CVUZUGLPYNYQOY-CXQJBGSLSA-N 197.322 2.001 0 20 AEAD CCC[C@@H](C)NC(=O)[C@@H](F)CC 1337023537 AEMMBDRVQNQTRP-SFYZADRCSA-N 175.247 2.039 0 20 AEAD CCN(C(=O)CC1CC1)C(C)(C)C 1348425213 LCXFBZCRBZFKGS-UHFFFAOYSA-N 183.295 2.434 0 20 AEAD CC[C@H](C)[C@@H](C)N(C)C[C@H](C)OC 1653531754 VBYMTCQOGNJTIH-GARJFASQSA-N 187.327 2.388 0 20 AEAD CCCCc1ncnc(S)c1F 1881002530 UEGHYHOHQPIYQK-UHFFFAOYSA-N 186.255 2.247 0 20 AEAD CCOc1cc(Cl)cc(CO)c1 1898227242 GFVLOXNBFWTATC-UHFFFAOYSA-N 186.638 2.231 0 20 AEAD Cc1ccc(O)c(-c2cnco2)c1 1975573521 BOVKWMWPNVMYDU-UHFFFAOYSA-N 175.187 2.356 0 20 AEAD Cn1cnc2ccc(Cl)cc21 1763350 ACKYAODOEQHXBD-UHFFFAOYSA-N 166.611 2.227 0 20 AEAD C[C@@H](N)CCc1c[nH]c2ccccc12 2018767 FEIOENIFHULYLW-SECBINFHSA-N 188.274 2.448 0 20 AEAD in-vitro CC[C@@H](C)CNCC(C)C 20085846 RPRLZUQTBCSFIA-SECBINFHSA-N 143.274 2.278 0 20 AEAD CC[C@H](C)[C@@H](C)NCCN1CCCC1 20127073 NRUSYVAIECUGMZ-NWDGAFQWSA-N 198.354 2.106 0 20 AEAD CCCCNCc1ncc(C)s1 22862319 QUCIRSYVWBMDNP-UHFFFAOYSA-N 184.308 2.341 0 20 AEAD CCSCc1cccnc1 33638899 ZAZDQWPWEXULPL-UHFFFAOYSA-N 153.250 2.335 0 20 AEAD O=C(c1ccccc1)N1C=CCC1 38292681 FJADFJKBIFABKC-UHFFFAOYSA-N 173.215 2.046 0 20 AEAD CCc1ccc(CC(N)=S)cc1 41201100 CDSIWGGDUIQZJD-UHFFFAOYSA-N 179.288 2.078 0 20 AEAD CC(C)N(Cc1cccs1)C(N)=O 42417437 NYSCHBGZQPNALZ-UHFFFAOYSA-N 198.291 2.037 0 20 AEAD Cn1nc(C2CCCCCC2)cc1N 53714923 UWJAHHWNHDTWOP-UHFFFAOYSA-N 193.294 2.440 0 20 AEAD C[C@H](NC[C@H]1CCOC1)C1CCCC1 54080505 UUEBDUIQBDLEFS-WDEREUQCSA-N 197.322 2.191 0 20 AEAD Cc1ccsc1[C@H](C)N[C@@H](C)CO 69636285 MOLHCKKOVAEJLE-IUCAKERBSA-N 199.319 2.088 0 20 AEAD CCCCc1noc(C)c1C(=O)O 69969335 NFFRVEGDHRIZJW-UHFFFAOYSA-N 183.207 2.024 0 20 AEAD C=CC(=O)N1CCC[C@@H](C(C)C)CC1 70613093 RNEGWRYKQSIWAT-LLVKDONJSA-N 195.306 2.457 0 20 AEAD CC[C@@H](CO)N[C@H]1CCCC(C)(C)C1 70628914 BQYRUDJLPZPQCN-QWRGUYRKSA-N 199.338 2.316 0 20 AEAD CC[C@@](C)(O)CN[C@@H](C)C1CCCC1 83462393 RUDNVQBPDYXXIX-CMPLNLGQSA-N 199.338 2.316 0 20 AEAD CCCC[C@@H](C)N[C@@H](C)C(C)(C)O 83727822 RDJNQFSAUOWCFE-ZJUUUORDSA-N 187.327 2.314 0 20 AEAD CC[C@H]1CCC[C@@H](NCCCCO)C1 84837047 GUELHDHSGDPXID-NWDGAFQWSA-N 199.338 2.317 0 20 AEAD CC(C)[C@H](CC(F)(F)F)C(=O)O 86339273 WSKFGRQAGYCLRF-YFKPBYRVSA-N 184.157 2.296 0 20 AEAD O[C@H]1CCC[C@H]1CCC(F)(F)F 86357740 QFGSPUIMMUZJRE-BQBZGAKWSA-N 182.185 2.490 0 20 AEAD CCCCC(=O)NCCc1ccoc1 96354833 UTIYIMADZMSRPY-UHFFFAOYSA-N 195.262 2.129 0 20 AEAD CCCCOCCCNCC1CC1 107774935 JLWOBZCLFRFVNV-UHFFFAOYSA-N 185.311 2.193 0 20 AEAD CCCCCN1CCCCC[C@@H]1CO 124821613 RGCYUCVREUNZDA-GFCCVEGCSA-N 199.338 2.414 0 20 AEAD C[C@H](CC1CC1)NCCOCC1CC1 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2.053 0 20 AEAD CC[C@H](C)CCN[C@H]1CCNC1(C)C 925708853 SOLZJHFGAZEJEM-QWRGUYRKSA-N 198.354 2.153 0 20 AEAD CC[C@@H]1C[C@@H](C)CN1CCOC1CC1 929763396 MUSKGRBTXXTAHO-GHMZBOCLSA-N 197.322 2.286 0 20 AEAD CC[C@@H](C)[C@@H](C)NC(=O)NC1(C)CC1 1339362120 RWPKOBQVIUCVBN-RKDXNWHRSA-N 198.310 2.273 0 20 AEAD CC[C@@H](C)c1nnc(C2=COCC2)o1 1341537141 MPLJYTQWDZYTQY-SSDOTTSWSA-N 194.234 2.344 0 20 AEAD CCN1CCCc2ccc(O)cc21 5139664 FQXSFGOFVUWZOD-UHFFFAOYSA-N 177.247 2.165 0 20 AEAD Cc1ccc(CNCC2CC2)cc1 19884630 RJYWSCXTJNOARU-UHFFFAOYSA-N 175.275 2.495 0 20 AEAD CC[C@@H](C)Nc1ccc(Cl)nn1 19986791 VDBCXZZKDFXYQD-ZCFIWIBFSA-N 185.658 2.340 0 20 AEAD CC(C)[C@H](C)N[C@H]1CCSC1 34937296 AYWUMVHLKQHUAW-IUCAKERBSA-N 173.325 2.126 0 20 AEAD C[C@@H]1C[C@H]1CNCc1ccco1 37897510 OKHAVUQIQLUFRU-BDAKNGLRSA-N 165.236 2.025 0 20 AEAD CC(C)[C@@]1(C)CCN[C@H]1C 51956041 LQCNVJVDDLOANO-DTWKUNHWSA-N 141.258 2.031 0 20 AEAD CC(C)NCCCCOC(C)C 52626554 PUQQJYPSZKKBCD-UHFFFAOYSA-N 173.300 2.190 0 20 AEAD CC1(C)CCC(NCCC(=O)O)CC1 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CC[C@@H](C)N(C)c1ccc(C)nn1 663707327 AILJOUOOTBKHJF-SECBINFHSA-N 179.267 2.020 0 20 AEAD Cc1cn(C[C@H]2CCC[C@H](C)C2)nn1 664084521 YOLVIYTVEVPKDU-ONGXEEELSA-N 193.294 2.413 0 20 AEAD C[C@@H]1CCC(C)(C)N1CCCCO 664702485 CXSBUQYUSXRFOC-SNVBAGLBSA-N 185.311 2.022 0 20 AEAD O=C(CC1CCC1)N1CCC[C@@H]2C[C@@H]21 672122441 OUDPCJHZHHETLC-MNOVXSKESA-N 193.290 2.188 0 20 AEAD CC(C)[C@H]1CN(CC2CC2)CCS1 675639258 GWSSLWXSIOKBDK-LLVKDONJSA-N 199.363 2.470 0 20 AEAD CCC(CC)CN1CC[C@H](COC)C1 678260845 OULWWXMCJPWOTL-LBPRGKRZSA-N 199.338 2.391 0 20 AEAD CCC(=O)[C@@H](C)OC(=O)CC1CCC1 745572966 LUNCMDLBWBJXPF-MRVPVSSYSA-N 198.262 2.087 0 20 AEAD CCCONC(=N)Cc1ccccc1 754277098 LJFRCEOOBMPKKO-UHFFFAOYSA-N 192.262 2.138 0 20 AEAD C=C/C=C\CCN1CC[C@H](COC)C1 878123203 UFXVCRWZKHGRGN-RXNFCKPNSA-N 195.306 2.087 0 20 AEAD CCc1nnc(Cc2occc2C)o1 1118363864 CCJXTCBXBPMANZ-UHFFFAOYSA-N 192.218 2.124 0 20 AEAD CO[C@@H]1CCC[C@@H](c2nnc(C)o2)C1 1253414731 CWIRVJBTHNHEAE-RKDXNWHRSA-N 196.250 2.051 0 20 AEAD CCN(CCSC)C(C)(C)C 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171.284 2.337 0 20 AEAD CC(C)CC(=O)N1CCC[C@H]1C 74836076 QSXSEJCNAQXQHO-SECBINFHSA-N 169.268 2.043 0 20 AEAD Oc1ccccc1[C@H]1CCC[C@@H]1O 75568446 GRGCQHCYYXXYRP-KOLCDFICSA-N 178.231 2.021 0 20 AEAD COC[C@H](C)NC[C@@H]1CCC[C@@H](C)C1 84340424 DROXEBPOVROVFT-GRYCIOLGSA-N 199.338 2.437 0 20 AEAD CC(C)C[C@H]1CNCC[C@H]1C 85442475 SIRUXFFBFTUCEV-ZJUUUORDSA-N 155.285 2.278 0 20 AEAD CC[C@H](C)S[C@H](C)[C@@H](C)O 85502385 SXUDVXCKJDLSBB-XLPZGREQSA-N 162.298 2.287 0 20 AEAD C[C@H](O)[C@@H](C)c1ccc(F)cc1 85658399 WUHCMAHDDSWFLE-SFYZADRCSA-N 168.211 2.310 0 20 AEAD O[C@H]1CCCC[C@H]1Cc1cscn1 86359884 LSTJFVAIVAWMLF-WPRPVWTQSA-N 197.303 2.237 0 20 AEAD CCCCCN[C@H]1CCC[C@@H](N)C1 86401713 RUWDJZCLGHXRHP-MNOVXSKESA-N 184.327 2.036 0 20 AEAD CC[C@H](C)N[C@@H]1CS[C@@H](C)C1 86934019 YLCRNBDPWDMJCK-CIUDSAMLSA-N 173.325 2.269 0 20 AEAD C[C@H]1C[C@@H](NC2CCCC2)CS1 86934027 CHPFBOLDMLKIOE-WCBMZHEXSA-N 185.336 2.413 0 20 AEAD Cc1ncc(CNC2(C)CC2)s1 124450614 QACWNJGXAJTOHM-UHFFFAOYSA-N 182.292 2.094 0 20 AEAD CCCNC(=O)N1C[C@@H](C)CC[C@@H]1C 127975153 VNFKOXLVNHDWQF-UWVGGRQHSA-N 198.310 2.226 0 20 AEAD CCCCCN[C@H](C)[C@@H](C)OC 132031495 LIPWFLIGEKQNNJ-NXEZZACHSA-N 173.300 2.190 0 20 AEAD CCC[C@@H](C)NC[C@](C)(O)C(C)C 133532550 PMQNOMZGKVLWSN-MNOVXSKESA-N 187.327 2.172 0 20 AEAD CCCCN1CCCC[C@H]1[C@@H](C)O 140927315 RZIHMAZRNBVZEL-MNOVXSKESA-N 185.311 2.022 0 20 AEAD CC(C)N[C@@H](C)c1cncc(F)c1 166299549 KARXEGUVHMEUSQ-QMMMGPOBSA-N 182.242 2.280 0 20 AEAD CC[C@H](COC)NC[C@@H]1CC1(C)C 222042678 NISJDOOBMASWJB-VHSXEESVSA-N 185.311 2.047 0 20 AEAD CCCC[C@H]1CNC[C@@H](C)C1 232998046 CULKXRKOMAMHEL-VHSXEESVSA-N 155.285 2.422 0 20 AEAD CC[C@@H](CO)N[C@@H]1CC(C)(C)C[C@@H]1C 233881037 ZWVGESZQENUOOP-GARJFASQSA-N 199.338 2.172 0 20 AEAD CC[C@H](O)CN[C@@H]1CC(C)(C)C[C@@H]1C 234030381 IVZOJJVVONWQCR-GARJFASQSA-N 199.338 2.172 0 20 AEAD C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1CCOC1 235310307 MLHLYWLWUAOEFM-GMTAPVOTSA-N 197.322 2.190 0 20 AEAD OC[C@H]1C[C@H]1c1cc(F)cc(F)c1 236504173 VUBHQXODHNUPSH-XCBNKYQSSA-N 184.185 2.061 0 20 AEAD CC[C@H](C)[C@@H](C)N[C@H](C)c1ncc[nH]1 252978112 AJWZERKGRWDWIM-IVZWLZJFSA-N 195.310 2.495 0 20 AEAD C[C@@H](O)c1c(O)cccc1Cl 259519942 SQIFRWXJZDVABQ-RXMQYKEDSA-N 172.611 2.099 0 20 AEAD CCOC(=O)[C@@H]1C[C@]1(C)C(C)C 261329836 SOLYOCNPMVLBRL-WCBMZHEXSA-N 170.252 2.232 0 20 AEAD CCCCN(C)C[C@@H]1CCN[C@H](C)C1 300056683 SRUUAUVYPXKUSX-VXGBXAGGSA-N 198.354 2.106 0 20 AEAD C[C@H](CCO)N[C@H]1CC(C)(C)C[C@H]1C 300061817 KKGXFVXQWMIOQP-MXWKQRLJSA-N 199.338 2.172 0 20 AEAD C[C@H]1COCC[C@H]1NC1CCCCC1 300923595 ZUCNCCJSZFTWHO-CMPLNLGQSA-N 197.322 2.334 0 20 AEAD FCCCN1[C@H]2CCC[C@H]1CC2 306184559 LPTBLAWKVCUIDQ-UWVGGRQHSA-N 171.259 2.363 0 20 AEAD CCCNC(=O)/C=C1/CC[C@@H](C)C1 306216215 BWKJDZRFEROWBS-URLRMUCDSA-N 181.279 2.259 0 20 AEAD C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C 306226440 GDKIJICKRMBYHK-OPRDCNLKSA-N 181.279 2.043 0 20 AEAD CC(C)(N)CN[C@H]1CCCC(C)(C)C1 306260784 VMFLPTNTHKGNCR-JTQLQIEISA-N 198.354 2.282 0 20 AEAD COc1cccc(N[C@H]2CC[C@@H]2C)n1 306261918 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CC[C@H]1CCCC[C@H]1NCCC(=O)O 42579333 KXYBBZJHXXFLHV-VHSXEESVSA-N 199.294 2.020 0 20 AEAD Cc1ccc(CN[C@H]2CC2(C)C)o1 44371210 XFXRYVAZISLHGW-JTQLQIEISA-N 179.263 2.476 0 20 AEAD CC(=O)CN(C)[C@H](C)c1cccs1 50143472 VZGNWBVQDAPWTP-SECBINFHSA-N 197.303 2.330 0 20 AEAD C[C@@H]1CCCC[C@@H]1NCCCCCO 51020642 LUGFDJOWUPXGFF-NEPJUHHUSA-N 199.338 2.317 0 20 AEAD CC(C)CCN1CCC[C@@H](CCO)C1 51895445 MNYNOCVPXFDIHH-LBPRGKRZSA-N 199.338 2.127 0 20 AEAD CCC(=O)N(CCC(C)C)C1CC1 70226735 LERABZDDMMPZCB-UHFFFAOYSA-N 183.295 2.434 0 20 AEAD COC[C@H](NCc1ccco1)C(C)C 83398841 HVCSIDBHDKAYMK-NSHDSACASA-N 197.278 2.040 0 20 AEAD CC(C)(C)OCCC(C)(C)C(=O)O 83638738 RLOPZBCBNQOQFT-UHFFFAOYSA-N 188.267 2.302 0 20 AEAD c1csc(N[C@@H]2CCCOCC2)n1 85734104 FDTQKLINNNMZRL-MRVPVSSYSA-N 198.291 2.124 0 20 AEAD C/C=C/C(=O)N[C@H](C)[C@H](C)CC 88394164 CQJQGRZQUGUYJY-LKJMDQPVSA-N 169.268 2.113 0 20 AEAD C[C@H](NC[C@@H]1C[C@@H]1C)C1CC1 129277950 CZRHUTJRIKZOQL-NRPADANISA-N 153.269 2.031 0 20 AEAD C[C@H](NC[C@@H]1C[C@H]1C)c1cccnc1 130946907 VWXRTEQUAHRPTB-SCVCMEIPSA-N 190.290 2.388 0 20 AEAD CCCC[C@@H]1CNCC[C@@H]1C 135525452 NRJKGUNYPNLKNR-VHSXEESVSA-N 155.285 2.422 0 20 AEAD CCC(=O)NCc1cc(C)cs1 145047454 UVQNXSQRDYGDLC-UHFFFAOYSA-N 183.276 2.083 0 20 AEAD Oc1cc2nccc(Cl)c2cc1O 149437747 VIMMURSJTXDJSI-UHFFFAOYSA-N 195.605 2.299 0 20 AEAD in-vitro CC[C@H](CCO)N[C@@H]1CCCC1(C)C 156813571 WRDQWOARRHIFRH-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD COCCCCN[C@@H](C)CC1CC1 158230850 VEZONTDOHVQIOZ-JTQLQIEISA-N 185.311 2.191 0 20 AEAD COCC[C@@H](C)NCC1(C(C)C)CC1 165707707 BDOFADCXDNBGLU-LLVKDONJSA-N 199.338 2.437 0 20 AEAD CC(C)C[C@@H](O)CN[C@H](C)CC1CC1 167119994 HZEJHYWSNQZLBO-ZYHUDNBSSA-N 199.338 2.172 0 20 AEAD Cc1ccsc1C[C@@H]1CCNC1 169726627 ACYBPDHPYNVEBN-VIFPVBQESA-N 181.304 2.209 0 20 AEAD C[C@@H](O)CCCN[C@@H]1CCC(C)(C)C1 228030718 VBHKXMPEJZFQPL-GHMZBOCLSA-N 199.338 2.316 0 20 AEAD COC(=O)c1ccc(N)c(C(C)C)c1 238392278 WCHJAZZGNMBGSG-UHFFFAOYSA-N 193.246 2.179 0 20 AEAD CC(C)c1noc([C@H]2C[C@H]2C)n1 306267148 QDHNEILNCGBWJL-RQJHMYQMSA-N 166.224 2.316 0 20 AEAD CCSCCOCC1CC1 306294838 WGBDJLNXTSZOFZ-UHFFFAOYSA-N 160.282 2.166 0 20 AEAD Cc1cccnc1S[C@H]1CCOC1 306431997 SCZQNHRUEHWFPE-VIFPVBQESA-N 195.287 2.271 0 20 AEAD CC(C)NC(=O)C[C@@H]1C=CCCC1 306479873 FCTFAXYYCFZAGC-SNVBAGLBSA-N 181.279 2.257 0 20 AEAD CC[C@]1(C)CCN(CC(F)F)C1 306523249 NJRVZJNSBMERFX-SECBINFHSA-N 177.238 2.374 0 20 AEAD Cn1cnnc1SCC1(C)CCC1 306805772 AQKICYROKGGCIO-UHFFFAOYSA-N 197.307 2.097 0 20 AEAD NCc1csc(C2CC2)c1 307162602 HQZUNOCMJIGWCG-UHFFFAOYSA-N 153.250 2.084 0 20 AEAD Cc1nocc1CN[C@@H]1CCC[C@@H]1C 307323859 HGKHRAZUZGXCJU-GZMMTYOYSA-N 194.278 2.261 0 20 AEAD C[C@@H]1C[C@H](N[C@@H]2CCC2(C)C)[C@@H](C)O1 307426716 RQPQFPKYYIUKQM-CHWFTXMASA-N 197.322 2.331 0 20 AEAD CC1(CNc2ccc(F)nc2)CC1 307536759 OIYNOWZEFXBDDD-UHFFFAOYSA-N 180.226 2.433 0 20 AEAD CC1(C)CC[C@H]1NCC1(N)CCCC1 307548511 OKZXLFATTGFKTH-SNVBAGLBSA-N 196.338 2.036 0 20 AEAD Cc1nnc(N[C@H]2CCC[C@H](C)C2)o1 307583701 ZNVKTAGHJCGHDM-CBAPKCEASA-N 195.266 2.369 0 20 AEAD CC[C@H](C)N[C@H](C)CN(C)C(C)C 308199744 PCHYKYHGJVINMK-WDEREUQCSA-N 186.343 2.103 0 20 AEAD CCC[C@H](C)NCc1snnc1C 308257408 KMJQUJMNWVUKIZ-ZETCQYMHSA-N 199.323 2.125 0 20 AEAD CCCC[C@H](COC)NC1CCC1 308469967 KFSAEQNWBDLYRB-LLVKDONJSA-N 185.311 2.334 0 20 AEAD CC[C@@H]1CCCC[C@@H]1NC[C@@H](C)CN 308560769 FCIBXQJETHQYNA-TUAOUCFPSA-N 198.354 2.140 0 20 AEAD CC[C@@H](C)[C@H](O)CNC1CC(C)(C)C1 308582499 HCTCRCUAVAVNGD-MWLCHTKSSA-N 199.338 2.172 0 20 AEAD CO[C@@H](C)CCNC[C@@H]1CC=CCC1 308585549 IDSXUUQDUOTYEN-NWDGAFQWSA-N 197.322 2.357 0 20 AEAD CCCC[C@H](CN)N[C@@H](C)C(C)C 319569830 QSQVIFWDUXYDFY-WDEREUQCSA-N 186.343 2.138 0 20 AEAD CC(C)[C@H]1CCN1Cc1ccn(C)c1 334275377 BXMBAQJTHFANNT-GFCCVEGCSA-N 192.306 2.255 0 20 AEAD CN1CCCN(CCC(C)(C)C)CC1 334355339 KRIPMGYDPSVNEN-UHFFFAOYSA-N 198.354 2.060 0 20 AEAD C[C@H]1CCCN(CC[C@@H]2CCOC2)C1 334876905 PUGGVNLDCBHIJL-NWDGAFQWSA-N 197.322 2.145 0 20 AEAD CC(C)=CCN1CCC[C@H](CO)[C@@H]1C 335182595 WVOAXBFKUXKSDL-NWDGAFQWSA-N 197.322 2.045 0 20 AEAD CO[C@@H](C)CN1CCCC(C)(C)C1 335520283 CJDKSMMGTLTLKM-JTQLQIEISA-N 185.311 2.143 0 20 AEAD CN(CC1CCC1)C(=O)C1(C)CC1 335639932 SJAIBIAELQSKHZ-UHFFFAOYSA-N 181.279 2.045 0 20 AEAD CC1CCN(C(=O)CC2CCC2)CC1 335904906 IODVXVQLGNVMSE-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CC(=O)Nc1cncc(Cl)c1C 336297450 YPZBCCFHGNCXTO-UHFFFAOYSA-N 184.626 2.002 0 20 AEAD CCCC(=O)NCC1=CCCCC1 379578275 DVGRNXVWHYJMFZ-UHFFFAOYSA-N 181.279 2.403 0 20 AEAD CC/C=C/CNC(=O)C=C(C)C 384800198 XSFWABLXQTTWMC-AATRIKPKSA-N 167.252 2.035 0 20 AEAD CCCCNC(=O)NC[C@@H]1C[C@H]1CC 388006516 MZWMTJRRBFHHCF-ZJUUUORDSA-N 198.310 2.132 0 20 AEAD CC[C@@H](C)[C@H](C)C(=O)NCC1CC1 388648910 REAZLLASTPUCFL-BDAKNGLRSA-N 183.295 2.195 0 20 AEAD CC(C)=CCOC(=O)[C@@H](F)C(C)C 388689129 KKJGVRVCEDARNI-VIFPVBQESA-N 188.242 2.490 0 20 AEAD CC1(C)CC(C(=O)OCCCF)C1 388841625 YLVVKKUXTHQMJW-UHFFFAOYSA-N 188.242 2.325 0 20 AEAD C[C@H](O)[C@@H](C)NC[C@H]1CCCC1(C)C 388870149 LDDPKMCKZKKXKW-OUAUKWLOSA-N 199.338 2.172 0 20 AEAD CO[C@H](CN[C@H]1CC[C@@H]1C)C(C)(C)C 389315014 PVTQPQPEUOCVTR-GARJFASQSA-N 199.338 2.436 0 20 AEAD CCN(CCN)C[C@@H]1CCCC[C@H]1C 394791552 BMCZQKKVVGLTAJ-NEPJUHHUSA-N 198.354 2.093 0 20 AEAD CSC1(CN2CC[C@H]3C[C@H]3C2)CC1 597223108 KHFMWZQLAOFVBC-UWVGGRQHSA-N 197.347 2.224 0 20 AEAD CC(C)[C@@H](C)C(=O)NCc1ccco1 603027828 MHOCGVFKHHNQCP-SECBINFHSA-N 195.262 2.188 0 20 AEAD O=C(CCCF)N1CC[C@H]2CCC[C@@H]21 613695456 RNZSNWWTYKFCST-ZJUUUORDSA-N 199.269 2.137 0 20 AEAD CCC(CC)NC(=O)CCCC(C)=O 620102475 ZMPKFRBSURCCAD-UHFFFAOYSA-N 199.294 2.051 0 20 AEAD CC1CC(CN[C@@H](C)[C@H]2CCCO2)C1 621771575 DVXGPBUHALJJGT-POSLAHMBSA-N 197.322 2.190 0 20 AEAD CCC[C@H](CCO)N[C@@H](C)C(C)C 631667494 PULMJWYLMWMLMH-WDEREUQCSA-N 187.327 2.172 0 20 AEAD CC[C@H](C)Cc1noc([C@H](C)OC)n1 632246738 ZZSSNLFWJOLOOH-YUMQZZPRSA-N 198.266 2.366 0 20 AEAD CCCN1C[C@@H](CC)O[C@H](CC)C1 643253935 ASPHVYUWBDSSSU-GHMZBOCLSA-N 185.311 2.286 0 20 AEAD c1cc(CN[C@@]23CCC[C@H]2C3)ccn1 657554238 YCGYRZTUWHYMQX-NWDGAFQWSA-N 188.274 2.114 0 20 AEAD CN(CCC(C)(C)C)Cc1cn[nH]c1 674753230 CHCOHWVHKHHCSQ-UHFFFAOYSA-N 195.310 2.278 0 20 AEAD C[C@H](NC(=O)C1(C)CCC1)C1CCC1 677338799 LYDXHUPYHJWCBH-VIFPVBQESA-N 195.306 2.481 0 20 AEAD CC(C)N(C)Cc1ccnn1C(C)C 684355021 KTLVNTOYSFUCDG-UHFFFAOYSA-N 195.310 2.304 0 20 AEAD CC(C)CC[C@@H](O)CN1CCC[C@@H]1C 684616241 BHDCIJJJPYTGCA-NWDGAFQWSA-N 199.338 2.268 0 20 AEAD CC[C@@H]1COC[C@H]1NCC1=CCCC1 699884040 XMXCKYYOWZKOEH-VXGBXAGGSA-N 195.306 2.111 0 20 AEAD CCO[C@@H](C)C(=O)OCC1=CCCC1 790821580 PHEFHHJKDGXUNN-VIFPVBQESA-N 198.262 2.065 0 20 AEAD CO[C@@H]1CC[C@@H](N2CCC(C)CC2)C1 821346973 ACCWPVMIJIPGSE-VXGBXAGGSA-N 197.322 2.286 0 20 AEAD CCON(CC)C(=O)c1coc(C)c1 831463153 RAFCVLDXOKIHTH-UHFFFAOYSA-N 197.234 2.002 0 20 AEAD CC/C(C)=C/C(=O)O[C@@]1(C)CCOC1 835410716 ZPCNYTXOYLKINE-DJYGCBNOSA-N 198.262 2.065 0 20 AEAD C=C/C=C\CCN1CCCOC[C@@H]1C 878286190 KPAKHZMVFWFFKW-RXNFCKPNSA-N 195.306 2.230 0 20 AEAD CC1=CCN(Cc2ocnc2C)CC1 894035066 XUAJCBQBJFFTCX-UHFFFAOYSA-N 192.262 2.135 0 20 AEAD CCOCc1cc(C2CC2)no1 901397149 UMIVUGIKQVVSQV-UHFFFAOYSA-N 167.208 2.089 0 20 AEAD C[C@@H](NC1(C)CC1)[C@@H]1C[C@H]2CC[C@H]1O2 1332400585 IIXOKWVJHYMKSB-CHWFTXMASA-N 195.306 2.085 0 20 AEAD Cc1ccc([S@@](C)=O)c(C)c1 6486867 FCJIAOMKFLCKAZ-NSHDSACASA-N 168.261 2.041 0 20 AEAD CCC[C@@H](NCCO)c1ccccc1 20596904 XRVVCVAMZHXPCG-GFCCVEGCSA-N 193.290 2.110 0 20 AEAD Cc1ccccc1O[C@H](C)CC(=O)O 35740235 MVFHUJRBONYBDQ-SECBINFHSA-N 194.230 2.237 0 20 AEAD CCC[C@H](C)N[C@@H](C)Cn1ccnc1 37157641 UUSACGBWBZCFJH-QWRGUYRKSA-N 195.310 2.050 0 20 AEAD COc1ccc(C2(O)CCCC2)cc1 37462776 NLVPAJRAUQYFFR-UHFFFAOYSA-N 192.258 2.457 0 20 AEAD CCC[C@H](C)NC[C@H](O)c1ccco1 37862809 VXDUVHWAZOZHHG-UWVGGRQHSA-N 197.278 2.091 0 20 AEAD Cc1cccc(C)c1OC[C@H](C)O 38760876 QFOWJPBDGSGFEJ-JTQLQIEISA-N 180.247 2.063 0 20 AEAD in-vitro CC[C@H](C)NCc1cccc(N)c1 40407851 VVPMHXSKGFIILA-VIFPVBQESA-N 178.279 2.157 0 20 AEAD COC[C@H](C)NC[C@@H]1CCCC[C@H]1C 53196998 CMDKLOGBLOCYGP-WOPDTQHZSA-N 199.338 2.437 0 20 AEAD C=CC(=O)NCC1CCC(C)CC1 63145834 LOALVORZASHCAS-UHFFFAOYSA-N 181.279 2.115 0 20 AEAD Cc1cccc([C@H]2CCN2)c1 78677977 NCWUVPXYGSORNF-SNVBAGLBSA-N 147.221 2.029 0 20 AEAD CC(C)(C)CNC[C@@H]1CCCC[C@H]1O 82992019 IOFONPDMXAMKCO-WDEREUQCSA-N 199.338 2.173 0 20 AEAD CCC(CC)N1N=C(C)[C@@H](CC)C1=O 104173131 RSMIOWGMBWDMLA-SNVBAGLBSA-N 196.294 2.419 0 20 AEAD CC1(C)CC[C@@H](NC(=O)CC2CC2)C1 122361017 OILMFQCWZICEMI-SNVBAGLBSA-N 195.306 2.481 0 20 AEAD CC[C@@H](C)NC[C@@H](C)C1CC1 132937910 QGOMUEWQLSPGOI-RKDXNWHRSA-N 155.285 2.421 0 20 AEAD COCC[C@H](C)Nc1cncc(C)c1 134341718 QPBLAEPNNRWHBL-JTQLQIEISA-N 194.278 2.227 0 20 AEAD CCCNC(=O)N[C@H]1CCCC[C@@H]1C 135738599 HHQNAKSVKKUMJE-UWVGGRQHSA-N 198.310 2.274 0 20 AEAD CCCNC(=O)N[C@H]1CCCC[C@H]1C 135738669 HHQNAKSVKKUMJE-ZJUUUORDSA-N 198.310 2.274 0 20 AEAD CC(C)(C)CCNc1cnccn1 135982776 ZXQVUNVHXZPZTG-UHFFFAOYSA-N 179.267 2.325 0 20 AEAD Cc1cccc2c1C(=O)[C@@H](C)C2 145064628 YLBNROBIBBKNIP-QMMMGPOBSA-N 160.216 2.370 0 20 AEAD CN(C)[C@H]1CC[C@@H](C)CC1 147708866 XIHHDIPVRCDUOT-KYZUINATSA-N 141.258 2.127 0 20 AEAD CC[C@H](O)CCN[C@H]1CCCC1(C)C 157401198 WCLZJGADROLMIP-QWRGUYRKSA-N 199.338 2.316 0 20 AEAD C/C=C/C(=O)Nc1cc(C)cc(C)n1 162519395 IYAHVEARLSDCOE-SNAWJCMRSA-N 190.246 2.213 0 20 AEAD CC(C)CN1CCCC[C@H]1C[C@@H](C)O 163085449 RITPNWPHYDCBDL-NEPJUHHUSA-N 199.338 2.268 0 20 AEAD Cc1csc(CC2CC2)n1 163659312 SIYUUCFDDBSWSY-UHFFFAOYSA-N 153.250 2.404 0 20 AEAD CCCCN(C)c1cc(C)nc(C)n1 202458085 CZHYPUMVNIRNRR-UHFFFAOYSA-N 193.294 2.330 0 20 AEAD CCC/C(C)=C(\F)C(=O)O 211859426 ZPUBDJWXLWXPAK-WAYWQWQTSA-N 146.161 2.115 0 20 AEAD C[C@H]1C[C@H](C)CC[C@@H]1NCC(C)(C)O 226179443 IAVBRHKLYYFUCC-VWYCJHECSA-N 199.338 2.172 0 20 AEAD C[C@H](CC1CCC1)NCCCC(=O)O 229689532 LSXRFMOAOYHPNF-SECBINFHSA-N 199.294 2.020 0 20 AEAD CCCCCC[C@@H](C)N[C@@H](C)CN 232947817 YRDFUNWBRTUPNL-MNOVXSKESA-N 186.343 2.282 0 20 AEAD CC[C@@](C)(CNC(C)(C)C)OC 233952481 LWGHQLIWAYSUKP-JTQLQIEISA-N 173.300 2.190 0 20 AEAD Cc1cc(Cl)cc([C@@H](N)[C@@H](C)O)c1 238452902 HUVJRGQEWYHDPF-XCBNKYQSSA-N 199.681 2.029 0 20 AEAD CCOC[C@H](C)N[C@H]1CCC[C@H]1C 250462486 AJHLVDLQEZJUAO-VWYCJHECSA-N 185.311 2.190 0 20 AEAD CC[C@H](C)[C@@](C)(O)[C@](C)(CC)CN 252560528 VVCHTWWZVLTEIP-HBNTYKKESA-N 187.327 2.159 0 20 AEAD CC(F)(F)CNCc1ccccc1 306307440 NFIVILDSSURFCX-UHFFFAOYSA-N 185.217 2.431 0 20 AEAD CC(C)(N)CN[C@H]1CCCCC1(C)C 306471968 JMXPYYAGFFCWHF-JTQLQIEISA-N 198.354 2.282 0 20 AEAD Fc1cccc(/C=C/[C@H]2CCNC2)c1 306526437 UQRDWVMJWLSAQD-ZWNMCFTASA-N 191.249 2.448 0 20 AEAD CC/C=C/CNc1ccccn1 307232372 LRIAFSCRBJQAIX-HWKANZROSA-N 162.236 2.460 0 20 AEAD C[C@@H](c1ccc(F)cc1)[S@@](C)=O 307283334 JSXBUAKJLXNUKA-JVXZTZIISA-N 186.251 2.265 0 20 AEAD CC[C@@H](C)NC(=O)C1CC(C)(C)C1 307582892 WPXPDSPLRVOKNO-MRVPVSSYSA-N 183.295 2.337 0 20 AEAD CC(C)N(CCF)C1CCC1 307626962 QYDCAIHLIOWSCL-UHFFFAOYSA-N 159.248 2.219 0 20 AEAD CCCN(C)CC1(C)CC1 307740933 IGGLFGGNIHZUOH-UHFFFAOYSA-N 141.258 2.128 0 20 AEAD CC(C)C[C@@H]1CCN([C@H](C)[C@H](C)O)C1 307845450 KLCQFNRBDQMGCP-WOPDTQHZSA-N 199.338 2.124 0 20 AEAD C[C@H]1CCCN(CCCCF)C1 307954516 QJOHYOHVCVVWLJ-JTQLQIEISA-N 173.275 2.468 0 20 AEAD Cc1cc([C@@H](C)NCC(C)C)no1 308149918 NWZHSLLSGYSUNA-SECBINFHSA-N 182.267 2.290 0 20 AEAD CCC[C@H](C)C(=O)OC[C@H](C)OC 308208900 FGBQCHQRQGCQDD-IUCAKERBSA-N 188.267 2.001 0 20 AEAD CC[C@@H](C)[C@H](C)C(=O)N(CC)OC 308308835 PWCWKLSYFQKRTK-BDAKNGLRSA-N 187.283 2.079 0 20 AEAD CS/C=C/C(=O)NC[C@@H](C)C1CC1 308313928 UUSYXFCRDJDKJG-HQZHTGGTSA-N 199.319 2.025 0 20 AEAD C/C=C/C=C/C(=O)N[C@@H](C)C1CC1 308315934 VLWHOKFPQNXSJE-RPOIFPIJSA-N 179.263 2.033 0 20 AEAD Cc1c[nH]cc1C(=O)OC/C=C\Cl 308376727 OCXLKYPRFFLCGN-IHWYPQMZSA-N 199.637 2.232 0 20 AEAD CC(C)N(C)C[C@@H](C)N[C@H](C)C1CC1 308504679 IEDHKCJDZIZUQZ-GHMZBOCLSA-N 198.354 2.103 0 20 AEAD COc1ccccc1CN[C@@H](C)CF 308519183 QGJFXQHAOBAYOE-VIFPVBQESA-N 197.253 2.143 0 20 AEAD CC1(C)CC(NCCC2(O)CCC2)C1 308641201 DWPOMBBQHTWLDP-UHFFFAOYSA-N 197.322 2.070 0 20 AEAD CC[C@@H]1CC[C@@H]1NCC(C)(C)N(C)C 308761766 YFIKXYHLTWDKMF-MNOVXSKESA-N 198.354 2.105 0 20 AEAD CC1=CCCN(C[C@@H]2CC[C@H](C)O2)C1 335023136 ZKFCQGGLYDOTIN-RYUDHWBXSA-N 195.306 2.206 0 20 AEAD Cc1cnc(N2[C@H](C)CC[C@H]2C)nc1 336469041 HJYSQLWKSMPNIE-NXEZZACHSA-N 191.278 2.162 0 20 AEAD COCC(C)(C)CN[C@@H]1CCC[C@H]1C 379522559 DJFLRWTVKLGNOK-GHMZBOCLSA-N 199.338 2.437 0 20 AEAD C[C@H](CC(C)(C)C)N[C@@H]1CCCNC1 384538901 NSVJIJUTFBYTJB-GHMZBOCLSA-N 198.354 2.153 0 20 AEAD CC/C=C/CN[C@@H]1C[C@H](C)O[C@H]1C 384556682 HAWUHFQFHXBSRU-HHIZAXHSSA-N 183.295 2.108 0 20 AEAD CC/C=C\CN[C@H]1CCOC(C)(C)C1 384705353 BZDCRRSOWQIHGA-GZTOBOFZSA-N 197.322 2.500 0 20 AEAD CC[C@H](C)CCNC1CCN(C)CC1 394397756 DOLJSLIZRZTDTA-NSHDSACASA-N 198.354 2.106 0 20 AEAD CCC(CC)c1noc([C@@H](N)CC)n1 395245214 XECWVJRPENQHDC-QMMMGPOBSA-N 197.282 2.383 0 20 AEAD C[C@H]1C[C@H](N[C@H]2CC[C@H](C)CC2)CO1 401904072 GEXZHGHHDSWTIF-BJDJZHNGSA-N 197.322 2.332 0 20 AEAD CCC(CC)c1cc(O)ncn1 409431480 QTSYYAMNIVNXED-UHFFFAOYSA-N 166.224 2.086 0 20 AEAD CC(C)(C)CN[C@@H]1C=CCC1 575502743 WYWLWSBCSJJCSY-SECBINFHSA-N 153.269 2.341 0 20 AEAD O[C@H]1C[C@@H](SC2CCCC2)C1 584883238 MVOVWPWUKAJUAR-OTSSQURYSA-N 172.293 2.186 0 20 AEAD Fc1cnc2ccc(Cl)cn12 585163975 JPPYBZVNDSJOFR-UHFFFAOYSA-N 170.574 2.127 0 20 AEAD CCSCc1conc1CC 594556491 NUWAPPMSIPLYDU-UHFFFAOYSA-N 171.265 2.490 0 20 AEAD CC(C)CN(C)CCOCC1CC1 607727836 RCJRESYNGIKIDI-UHFFFAOYSA-N 185.311 2.001 0 20 AEAD CCN(CCSC)CCC1CC1 612829076 NEMPQFVKORHOSJ-UHFFFAOYSA-N 187.352 2.471 0 20 AEAD CCCN(C)Cc1ccoc1C 618986928 SKLHOOZTOBDEAS-UHFFFAOYSA-N 167.252 2.430 0 20 AEAD CCCC[C@H](CC)NCC[C@H](C)N 622045611 DMVQWZGYYZBJFN-QWRGUYRKSA-N 186.343 2.282 0 20 AEAD Cc1cnc(CN2CC[C@H]2C(C)C)o1 638277459 ZIUISBRUTRTTFZ-JTQLQIEISA-N 194.278 2.213 0 20 AEAD CC(C)CN1CCC(C)(F)CC1 639388838 NWCTXOBIZVAUPQ-UHFFFAOYSA-N 173.275 2.466 0 20 AEAD C[C@@H]1CCCN(C[C@H]2CCO[C@@H]2C)C1 639443258 BDVDUBBYGYXQFK-IJLUTSLNSA-N 197.322 2.143 0 20 AEAD CC[C@H](CN(C)CC(C)(C)C)OC 642684677 KAOOUDKIMJFKSF-SNVBAGLBSA-N 187.327 2.389 0 20 AEAD CCC[C@@H](C)C(=O)NC1(CC)CC1 650676613 KUMHZBWCINRSJV-SECBINFHSA-N 183.295 2.481 0 20 AEAD CO[C@H](C)[C@H](C)NCC1=CCCC1 658292986 UKMKUZYJOSUWBP-VHSXEESVSA-N 183.295 2.110 0 20 AEAD CCC(C)(C)NC[C@@H]1CCN[C@@H](C)C1 666652166 BMGBYTYGECQMCO-WDEREUQCSA-N 198.354 2.153 0 20 AEAD CC(C)C[C@H](C)CNC[C@H]1CCCN1 666783915 OIAARZAGHCDZCP-NWDGAFQWSA-N 198.354 2.010 0 20 AEAD CC(C)C(CN1CCOCC1)C(C)C 671304405 ZZCZQYTXTLKDIL-UHFFFAOYSA-N 199.338 2.247 0 20 AEAD Cc1ccccc1N(CCO)C(C)C 674006516 VWSKYZLRCJOMJO-UHFFFAOYSA-N 193.290 2.202 0 20 AEAD CC[C@@H](C)CN1CCOCC12CCC2 676716409 XQNVDNRMKMTXDS-LLVKDONJSA-N 197.322 2.287 0 20 AEAD C[C@@H]1C[C@@H]1CN(C)Cc1cccnc1 682673080 GKIGODLGCCUCQZ-ZYHUDNBSSA-N 190.290 2.169 0 20 AEAD CCC[C@@H](C)N(C)Cc1ncccn1 683002626 FBGKVXRKZJJZEC-SNVBAGLBSA-N 193.294 2.097 0 20 AEAD CCC(C)(C)CCN1CC=CCN1 705240686 BBWCMSCSLQYQBJ-UHFFFAOYSA-N 182.311 2.189 0 20 AEAD C1CC[C@H](C[C@H]2CCCNCC2)OC1 718975775 LBTMCTJKWBWYER-NWDGAFQWSA-N 197.322 2.335 0 20 AEAD CCONC(=O)C[C@@H]1CCC[C@H](C)C1 749843862 YWFJBHWCZIBDDY-VHSXEESVSA-N 199.294 2.271 0 20 AEAD C[C@@H](C(=O)NCCC1CCC1)C1CC1 755508148 NMGZLQPSEBVYCU-SECBINFHSA-N 195.306 2.339 0 20 AEAD Cc1ccc(COC(=O)C(C)C)cn1 772680603 UKNBJQWFOFKPQV-UHFFFAOYSA-N 193.246 2.089 0 20 AEAD COCCN1CCc2cc(C)ccc21 773650872 ZYYBBDAGFFZZIZ-UHFFFAOYSA-N 191.274 2.004 0 20 AEAD C=C=CCNC(=O)[C@H](C)[C@@H](C)CC 820199311 NQXFZQGQACSPNP-VHSXEESVSA-N 181.279 2.126 0 20 AEAD CCOc1cccc(OC(=O)CC)c1 867666134 UIIQJEZXXHMFOE-UHFFFAOYSA-N 194.230 2.401 0 20 AEAD C1CC([C@@H]2CC[C@@H]2NC2CSC2)C1 877634323 IAZHEBZPJDPWRO-QWRGUYRKSA-N 197.347 2.270 0 20 AEAD C/C=C\CSCc1nncs1 902322543 KXKIHXFRFYDXHO-IHWYPQMZSA-N 186.305 2.347 0 20 AEAD C[C@H]1[C@H](C)CC[C@@H](C)[C@H]1N[C@H](C)CO 903103127 FGMMLSHZVAHJCZ-PZWNZHSQSA-N 199.338 2.028 0 20 AEAD CC[C@@H](C)CN[C@@H]1CCO[C@H]1C1CC1 922518365 KWWSFWYMPWPIHD-JLLWLGSASA-N 197.322 2.190 0 20 AEAD CC(C)(C)[C@H]1CCC[C@@H]1NCCCO 924536146 LOYCSXUMDZBSBB-QWRGUYRKSA-N 199.338 2.173 0 20 AEAD CC1(CCC(=O)NCC2CCC2)CC1 930152949 LADNDJYYAQWGBJ-UHFFFAOYSA-N 195.306 2.483 0 20 AEAD O=C(C[C@@H]1C=CCC1)N[C@H]1C=CCC1 1328792275 FBVVIBJKMKGZBW-MNOVXSKESA-N 191.274 2.178 0 20 AEAD CC(C)C[C@H](C)NC(=O)NC1(C)CC1 1335448644 JHADFBLSHZFNQB-VIFPVBQESA-N 198.310 2.273 0 20 AEAD O=C(OCCC1CCC1)[C@@H]1C[C@@H]1F 1525221136 ONKOFOYYIIGHNX-BDAKNGLRSA-N 186.226 2.078 0 20 AEAD F[C@H]1CC[C@H]1NC1CCCC1 1848947676 ZPIJKUFRXJYDLP-DTWKUNHWSA-N 157.232 2.019 0 20 AEAD CCNc1ccc(C(C)=O)cc1 1758088 AXPBAQGPJYCXKE-UHFFFAOYSA-N 163.220 2.321 0 20 AEAD CCC[C@@H](C)NCC1CC1 19885093 YCBOLXYPKRPWDC-MRVPVSSYSA-N 141.258 2.175 0 20 AEAD C[C@@H]1CCCC[C@H]1Nc1cnn(C)c1 35737874 AXHIZQACSRCLPD-MWLCHTKSSA-N 193.294 2.411 0 20 AEAD CNC1CC(c2ccc(F)cc2)C1 37409728 GMBGOGBANCIBCA-UHFFFAOYSA-N 179.238 2.291 0 20 AEAD CCOCCCNC(C1CC1)C1CC1 37466631 XUPRHGBTKIKWLD-UHFFFAOYSA-N 197.322 2.191 0 20 AEAD CC[C@H]1CCC[C@@](C)(N)C1 38482064 QXSQMLIKHNKVTC-DTWKUNHWSA-N 141.258 2.304 0 20 AEAD CC/C=C\CNC(=O)OC(C)(C)C 39094517 CNFRPOCWOXJVQN-SREVYHEPSA-N 185.267 2.477 0 20 AEAD CC[C@@H](C)NC(=O)N1CCCC[C@@H]1C 39971659 ZXKZYJWICPKDED-ZJUUUORDSA-N 198.310 2.369 0 20 AEAD CNCc1ccccc1C1CC1 52886444 WGNZAJBZEIFDAF-UHFFFAOYSA-N 161.248 2.283 0 20 AEAD O[C@H]1CCCC[C@@H]1Cc1ccco1 62102558 ADIFPMJEEIVIQN-KOLCDFICSA-N 180.247 2.373 0 20 AEAD CCC[C@@H](C)N[C@@H](C)c1cnccn1 70024417 XKMZGDWIOHEWNC-ZJUUUORDSA-N 193.294 2.316 0 20 AEAD CCC(=O)N(C)[C@@H]1CCCC[C@@H]1C 70225773 YMAHAAXWGGVAKF-VHSXEESVSA-N 183.295 2.434 0 20 AEAD CC[C@H]1CCCN(C[C@H](O)CC)CC1 70609786 ASRXHZACMBOHOV-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD CCN1CCc2ccc(F)cc2C1 74448161 DDMJCWRCPOLIGR-UHFFFAOYSA-N 179.238 2.204 0 20 AEAD CC1CCN(C(=O)CC2CC2)CC1 82268379 FUSPYDWCJREPAC-UHFFFAOYSA-N 181.279 2.045 0 20 AEAD CCC[C@H](CC)N[C@@H](C)C(C)(C)O 83727810 NDSPUJJRDPNEEY-UWVGGRQHSA-N 187.327 2.314 0 20 AEAD Cc1noc(C)c1CNCCC1CC1 83893687 NXMGIOGTRPMPRE-UHFFFAOYSA-N 194.278 2.181 0 20 AEAD OC/C=C/c1ccnc2ccccc12 86209742 QZDJRMBGEFDLQR-ONEGZZNKSA-N 185.226 2.240 0 20 AEAD COC(=O)[C@H]1CCCc2sccc21 86492550 SBFUSHGHIBVAOU-QMMMGPOBSA-N 196.271 2.341 0 20 AEAD C[C@H](O)[C@@H](C)c1cc(F)cc(F)c1 87142279 HANUNZUJAFILJI-RQJHMYQMSA-N 186.201 2.449 0 20 AEAD CCOc1cc(OC)cc(OC)c1 88266208 BHRJGOBVTVEYBS-UHFFFAOYSA-N 182.219 2.103 0 20 AEAD C[C@@H](O)c1cccc2[nH]ccc12 95637107 QUJIBVQVTYBNHL-SSDOTTSWSA-N 161.204 2.221 0 20 AEAD O=C(Nc1ccc(Cl)nc1)C1CC1 112749889 GMVNKFDTOYKGHC-UHFFFAOYSA-N 196.637 2.084 0 20 AEAD CC(C)c1noc(C(C)C)n1 114590650 XYXMRDCHZGHNDG-UHFFFAOYSA-N 154.213 2.316 0 20 AEAD CCC[C@@H](C)[C@@H](CC)N[C@@H](C)CO 123334464 KCXHVXUIPUBGNV-OUAUKWLOSA-N 187.327 2.172 0 20 AEAD CC[C@@H]1CCN(C(=O)NC(C)(C)C)C1 131024305 QRXINJISJJJTLY-SECBINFHSA-N 198.310 2.226 0 20 AEAD CC[C@H](O)CCNC1CCCCCC1 131682695 COKNSWSVTRHYMU-LBPRGKRZSA-N 199.338 2.460 0 20 AEAD COC(=O)N(C)C1CCC(C)CC1 135862549 FEJAKLHQTJEVDA-UHFFFAOYSA-N 185.267 2.263 0 20 AEAD C[C@H]1CCCC[C@@H]1N(C)C(=O)N(C)C 135928396 ZEUHFZBUSLSKGJ-UWVGGRQHSA-N 198.310 2.179 0 20 AEAD Cc1ccc2c(c1F)CCN2 211866468 LSXWXOSICRURRB-UHFFFAOYSA-N 151.184 2.102 0 20 AEAD C[C@@H]1CCC[C@H](N[C@H](C)CC(=O)O)C1 223121087 FPYGOLSMQWCSBS-BBBLOLIVSA-N 199.294 2.018 0 20 AEAD c1cnc2c(c1)CC[C@H]2NCC1CC1 226797004 YVQMYZKHGNQQIS-LLVKDONJSA-N 188.274 2.069 0 20 AEAD CC[C@H](C)C[C@H](C)NC[C@@H](O)CC 227701401 QFHALBBSVDJBIQ-DCAQKATOSA-N 187.327 2.172 0 20 AEAD CC(C)[C@H](C)SC[C@H](C)C(=O)O 232788982 HQLXQGSZHATWMS-YUMQZZPRSA-N 190.308 2.485 0 20 AEAD Fc1cc(Cl)cc2c1CCNC2 238593218 TXBTXBGYLPOFKM-UHFFFAOYSA-N 185.629 2.125 0 20 AEAD C[C@H]1C[C@H](N[C@@H]2CC2(C)C)C[C@@H](C)O1 251672543 AEIGWDRYNCASNF-LMLFDSFASA-N 197.322 2.331 0 20 AEAD C1=CC[C@@H](CNC2CSC2)CC1 306450695 QITOPKHLJDJAGT-SECBINFHSA-N 183.320 2.048 0 20 AEAD Cc1cnc(NC2CCC2)nc1C 306495263 BSIZKPQNUWWEEI-UHFFFAOYSA-N 177.251 2.058 0 20 AEAD Cc1nnc(N[C@H]2CC[C@H](C)CC2)o1 306545387 VTZCXJRAOSCFPM-XWEPSHTISA-N 195.266 2.369 0 20 AEAD O=C(N[C@H]1CC12CCCCC2)C1CC1 306626698 IBRAYDUKXDOQOK-JTQLQIEISA-N 193.290 2.235 0 20 AEAD CCNC(=O)C1(C)CCCCCC1 306637222 FITHRVYHGSHBOB-UHFFFAOYSA-N 183.295 2.483 0 20 AEAD Cc1cnc(N[C@@H]2CCC2(C)C)nc1 307200792 CKHZDIJIMNFFQJ-SECBINFHSA-N 191.278 2.386 0 20 AEAD C[C@@H]1CCC[C@@H](Sc2cnn[nH]2)C1 307583558 ZAXKIUSXKHTXJS-HTQZYQBOSA-N 197.307 2.476 0 20 AEAD CC1(CC(=O)OC/C=C/Cl)CC1 307949769 MXHFZNFWGRAFQW-GORDUTHDSA-N 188.654 2.472 0 20 AEAD CCCCN1CC[C@H](OC)C[C@H]1C 308240128 SKELLFQBUUXBOY-MNOVXSKESA-N 185.311 2.286 0 20 AEAD C[C@@H]1C[C@H]1CN(C)Cc1ccoc1 308315947 VMEJECCASNGHTJ-KOLCDFICSA-N 179.263 2.367 0 20 AEAD CC[C@H]1CC[C@@H]1NC[C@H](CC)CCO 308587911 JDXTVEYMUXIJKA-WOPDTQHZSA-N 199.338 2.173 0 20 AEAD CCC(CC)CNC[C@@](C)(O)C1CC1 308602178 DRTYQUHQDNMUMH-GFCCVEGCSA-N 199.338 2.173 0 20 AEAD CC[C@H](NC[C@@H]1CCCO1)[C@H]1C[C@H]1C 321095730 OCKUDJUVRNCJOE-RHYQMDGZSA-N 197.322 2.190 0 20 AEAD C/C=C/C(=O)N[C@@H](C1CCC1)C1CC1 324620290 AHIYQPLVLKSSQA-KMOQFTEPSA-N 193.290 2.257 0 20 AEAD C[C@H]1CN(CC2CCCC2)CCCO1 334225939 ZAJDGQXEFSPEIB-NSHDSACASA-N 197.322 2.287 0 20 AEAD C[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 334259379 QGSSTGUDOTUPLI-WDEREUQCSA-N 193.290 2.211 0 20 AEAD CC[C@H]1CCN(c2ccc(F)cn2)C1 334266261 MKWGIEARMZKVPC-VIFPVBQESA-N 194.253 2.457 0 20 AEAD C1C[C@H]2OCCN(CCC3CC3)[C@@H]2C1 335557016 SYRCPGRICZXVHO-VXGBXAGGSA-N 195.306 2.040 0 20 AEAD C1CSC[C@H](NC[C@@H]2CC23CC3)C1 335647272 MPQFEKMIHHXXKI-VHSXEESVSA-N 197.347 2.272 0 20 AEAD Cc1ccncc1CN(C)C1CCC1 336061284 NUZZHFAQDQXPFP-UHFFFAOYSA-N 190.290 2.374 0 20 AEAD O=C([C@H]1CC12CCCCC2)N1CCC1 336067780 FXKUWCTWTUPJDI-SNVBAGLBSA-N 193.290 2.189 0 20 AEAD CC(C)N1C[C@H](C)S[C@H](C)C1 336553300 HRQNIAUYQMDFKG-DTORHVGOSA-N 173.325 2.221 0 20 AEAD CN(C[C@@H]1CCCO1)C1CCCCC1 336594558 LSBKSOHUINJGFE-LBPRGKRZSA-N 197.322 2.430 0 20 AEAD C/C=C(\C)C(=O)NCCCCC 379331432 DABHVQFNJQWMCP-WEVVVXLNSA-N 169.268 2.259 0 20 AEAD C/C=C/COC(=O)[C@@H]1CC12CCC2 379358114 ULOOIYGSOCTPJR-HPOULIHZSA-N 180.247 2.296 0 20 AEAD CCCC[C@@H](COC)NC1(C)CC1 379398405 TXRSOXKOZPNOEF-JTQLQIEISA-N 185.311 2.334 0 20 AEAD 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2.441 0 20 AEAD CC(C)(C)CC(=O)NCC(F)(F)F 116409882 WMYMXHHKZGPKBB-UHFFFAOYSA-N 197.200 2.101 0 20 AEAD C[C@@H]1CC[C@@H](NC(=O)N(C)C)[C@H](C)C1 123456550 BRVKGNNKRMMQMV-OPRDCNLKSA-N 198.310 2.082 0 20 AEAD C[C@H](C(=O)NOC1CCCC1)C1CC1 135356030 CIYTWJWRPDUTFP-QMMMGPOBSA-N 197.278 2.023 0 20 AEAD CCCN(CC)C(=S)NC(C)C 136305798 VSCCSGWSRKTPBV-UHFFFAOYSA-N 188.340 2.001 0 20 AEAD CC(C)(C)CCCn1ccnn1 143290825 VAGAECSMQRNKFY-UHFFFAOYSA-N 167.256 2.104 0 20 AEAD CC[S@@](=O)c1cccc(C)c1 148389269 BKTLOYYKALOVLN-NSHDSACASA-N 168.261 2.123 0 20 AEAD CC[C@@H](CCO)N[C@@H](C)c1ccoc1 156812869 UWFFVUYMQWTHAC-ONGXEEELSA-N 197.278 2.091 0 20 AEAD CC(C)(C)[C@@H](CN)NCCCC1CC1 157268372 NAVCDINBRLGLQX-LLVKDONJSA-N 198.354 2.140 0 20 AEAD CCC[C@@H](O)CNCC(CC)CC 159266759 YDVBGDRXYOQEEZ-LLVKDONJSA-N 187.327 2.173 0 20 AEAD C[C@H]1NCCC[C@@H]1NC1CCCCC1 160567731 UNPJAVUMYRMJQT-PWSUYJOCSA-N 196.338 2.049 0 20 AEAD CCC(CC)CNCCCNC1CC1 163428173 BBPMFORNPHVLSN-UHFFFAOYSA-N 198.354 2.154 0 20 AEAD 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0 20 AEAD CC[C@H](C)OC(=O)c1cccc(C)n1 729077820 GLKQIYJRDZYOKH-VIFPVBQESA-N 193.246 2.345 0 20 AEAD C[C@@H]1C[C@H]1C(=O)NC[C@H](C)C(C)(C)C 734340424 QKFPURVYTMJOCS-KXUCPTDWSA-N 197.322 2.441 0 20 AEAD CC(C)N(C(=O)C=C1CCC1)C1CC1 755163128 PNGWODURWQEYBN-UHFFFAOYSA-N 193.290 2.496 0 20 AEAD CC(C)CC1(CN[C@@H](C)CCO)CC1 779412818 PODCLDKBCNUHCX-NSHDSACASA-N 199.338 2.173 0 20 AEAD Cc1ccc(N[C@H](C)CCO)c(F)c1 779422781 XZBPBTCIHXNAFN-SECBINFHSA-N 197.253 2.317 0 20 AEAD CON(C)C(=O)c1occc1C(C)C 785768652 PUEIMBZQDMGKEF-UHFFFAOYSA-N 197.234 2.036 0 20 AEAD CC(C)[C@@H](C)C(=O)NOCCC1CC1 817407890 HJDIQRUKHVINLO-SECBINFHSA-N 199.294 2.126 0 20 AEAD Cc1ccc(/C=C\N2CCCC2=O)o1 876501315 MSSKTJINTYQIEQ-VURMDHGXSA-N 191.230 2.181 0 20 AEAD C/C(Cl)=C\C(=O)N1CCC[C@@H]2C[C@H]21 908132799 IVFWBLBXWRSMRG-LKJMDQPVSA-N 199.681 2.140 0 20 AEAD C[C@@H]1CC[C@@H](C)N1CCOC1CC1 929829949 VXIUPEMPJQMXBT-NXEZZACHSA-N 183.295 2.038 0 20 AEAD CCO[C@H](CC)c1nnc(C2CC2)o1 1117170441 IRJOVDAMWWAKRL-MRVPVSSYSA-N 196.250 2.435 0 20 AEAD CC1(N[C@@H]2CCOC(C)(C)C2)CC1 1255524149 RAMMKWVPZNDKEN-SECBINFHSA-N 183.295 2.086 0 20 AEAD CC/C(C)=C\C(=O)NC(C)(C)CF 1332902144 JRKIAODFYLNSMM-VURMDHGXSA-N 187.258 2.207 0 20 AEAD CC1(CCC(=O)NC2(C)CC2)CC1 1342118102 PKSXGDLDBYARJC-UHFFFAOYSA-N 181.279 2.235 0 20 AEAD CCCNc1cc(CC2CC2)ncn1 1537960632 ZLZFVXVZZAJAJO-UHFFFAOYSA-N 191.278 2.251 0 20 AEAD CC[C@H]1CCN(c2ncccn2)[C@@H]1C 1639813275 SQQZGNTXGGUEPU-ZJUUUORDSA-N 191.278 2.101 0 20 AEAD COC(=O)c1ccc(C(C)(C)C)cn1 34450332 JRXBWYKPWHPFQO-UHFFFAOYSA-N 193.246 2.166 0 20 AEAD C[C@H]1Cc2cc(S)ccc2O1 37176661 YKUYMJBSCUQKAD-LURJTMIESA-N 166.245 2.299 0 20 AEAD Cc1cccc([C@H](C)NCCCO)c1 37236475 YMBCXPIDPGMSKQ-NSHDSACASA-N 193.290 2.028 0 20 AEAD CCCNCc1csc(CC)n1 40432059 KGMGHAJTUNDHJY-UHFFFAOYSA-N 184.308 2.205 0 20 AEAD CC(C)[C@@H](CO)NC1CCCCCC1 41049671 JKWRPJSYNIFJCU-GFCCVEGCSA-N 199.338 2.316 0 20 AEAD CCNC[C@@H]1CCCC[C@H]1C 42857448 ZBELBTUFIGOKGM-ZJUUUORDSA-N 155.285 2.422 0 20 AEAD CCO[C@@H](CN)c1ccc(C)s1 43243865 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C[C@H]1CC[C@@H](NCCOC2CCC2)C1 308665432 SFJYMXYOCHEZGH-WDEREUQCSA-N 197.322 2.334 0 20 AEAD CC(C)[C@H](C)N[C@H](C)[C@H]1CCCNC1 319030065 SBDDTVOOZMNZQL-TUAOUCFPSA-N 198.354 2.009 0 20 AEAD CCC[C@H](NCC(C)(C)N)C1CCC1 324826728 UGBYYPGCOBIDGV-NSHDSACASA-N 198.354 2.282 0 20 AEAD C1CC1c1noc([C@H]2C[C@@H]2C2CC2)n1 334391396 VGEDOSFXFBNNCR-BDAKNGLRSA-N 190.246 2.461 0 20 AEAD CCC(C)(C)N(C)C(=O)c1cc[nH]c1 334398287 CVTQTEWWWNVSRB-UHFFFAOYSA-N 194.278 2.275 0 20 AEAD CCN(C(=O)c1ccc(C)o1)C1CC1 335068768 JQFJVZORDNRCHX-UHFFFAOYSA-N 193.246 2.213 0 20 AEAD CC[C@@H]1C[C@H](C)CN1c1ncccn1 335079340 OACLIPVEFMLOFD-VHSXEESVSA-N 191.278 2.101 0 20 AEAD C[C@H]1CC[C@@H](C)N1C(=O)c1ccoc1 335326188 BQAJMVDSDHQICL-DTORHVGOSA-N 193.246 2.293 0 20 AEAD CC1(C(=O)NC2C(C)(C)C2(C)C)CC1 335837790 PPGXSYJMQFZLQS-UHFFFAOYSA-N 195.306 2.337 0 20 AEAD Cc1n[nH]c(C)c1CN1CCC[C@H]1C 335843285 HRLCBYPJRIBSMC-MRVPVSSYSA-N 193.294 2.011 0 20 AEAD CCN(C(C)=O)c1ccc(F)c(F)c1 335924695 XSXFVHYRGVMATA-UHFFFAOYSA-N 199.200 2.338 0 20 AEAD CC[C@]1(C)C[C@@H]1C(=O)NC1CC(C)C1 336042027 HFTFQECGILQFHL-PQFJONNWSA-N 195.306 2.337 0 20 AEAD C[C@H]1CCCN(C(=O)C2=CCCC2)C1 336625257 BQYHNOXTGVDNST-JTQLQIEISA-N 193.290 2.355 0 20 AEAD CCC[C@H](C)N(C)C[C@@H](C)OC 379337634 YOHFJKHVPYZJFE-VHSXEESVSA-N 173.300 2.142 0 20 AEAD CC1(C)CC[C@H]1NCCCCCCO 379516255 AGCCSIHUWABIKM-LLVKDONJSA-N 199.338 2.317 0 20 AEAD CC[C@@H](NC[C@@]1(C)CCOC1)C(C)C 379666715 XWTLGQQLNIGPBE-VXGBXAGGSA-N 199.338 2.437 0 20 AEAD CC/C=C\CNC1CC(OCC)C1 385173215 MMIMPXQRPPMCBE-WAYWQWQTSA-N 183.295 2.110 0 20 AEAD CC(C)C[C@H](CO)N[C@@H]1CCC1(C)C 389295350 JUAJQANCPMNMCK-GHMZBOCLSA-N 199.338 2.172 0 20 AEAD CC(C)C[C@@H](C)CN[C@@H](CO)C1CC1 393683048 MNKNGIPFPIMHNG-PWSUYJOCSA-N 199.338 2.029 0 20 AEAD CC(C)C[C@@H]1CCCN1CC(C)(C)N 396779880 UNHJXXFLDJBXOO-NSHDSACASA-N 198.354 2.234 0 20 AEAD Nc1cc(C2CCC2)nn1CC1CC1 409440583 UNMGMDPGRFTDOV-UHFFFAOYSA-N 191.278 2.143 0 20 AEAD CC(C)C[C@@H]1C[C@@H](C)N(C)[C@H](O)C1 536951035 ZTLALMUYSGNJSC-GMTAPVOTSA-N 185.311 2.081 0 20 AEAD CC(C)CC[C@H]1CCC[C@H]1NC(N)=O 590148706 KZFMRKVODYQHIM-NXEZZACHSA-N 198.310 2.260 0 20 AEAD CSCCCN(C)CC(C)C 610368107 QQJBPWSGYZDQHO-UHFFFAOYSA-N 175.341 2.327 0 20 AEAD C[C@H](N)CCN[C@@H](C)c1ccsc1 622045564 ATWIPSWDZVMCCN-IUCAKERBSA-N 198.335 2.136 0 20 AEAD CSC1CC(NC2CC(C)C2)C1 642867776 FMZJGHRZYXIIJL-UHFFFAOYSA-N 185.336 2.269 0 20 AEAD CC(C)CCNC(=O)[C@]12CCC[C@@H]1C2 643298409 FOSRMYJNJVKGGT-PWSUYJOCSA-N 195.306 2.339 0 20 AEAD CC[C@@H](N)CN[C@@H]1CCC12CCCC2 643540447 IPJHRTFWDIRKPP-GHMZBOCLSA-N 196.338 2.036 0 20 AEAD CC[C@H](CN[C@H]1CC=C(C)CC1)OC 646205502 CCVFCFCUKXNLDY-NWDGAFQWSA-N 197.322 2.500 0 20 AEAD CC[C@@H](C)N(C)C[C@@H]1C[C@H]2CC[C@H]1O2 649376608 RKMBZNMCRGQTTH-WRWGMCAJSA-N 197.322 2.284 0 20 AEAD Cc1cccc(N2CC[C@H]3C[C@H]3C2)n1 664525785 QYLPHXWUOSEIOI-QWRGUYRKSA-N 188.274 2.236 0 20 AEAD CC[C@H](NCC1(C)CC1)[C@@H](O)C(C)C 666446848 OSKGMGWGEITZMI-QWRGUYRKSA-N 199.338 2.172 0 20 AEAD CC1=C(C)CN([C@H]2CCCOC2)CC1 684629611 YWRDIYCWWWFWSK-LBPRGKRZSA-N 195.306 2.208 0 20 AEAD CCCCCC[C@@H](C)NCC1CNC1 710919782 YUZFQZXFUQCOFC-LLVKDONJSA-N 198.354 2.154 0 20 AEAD C=C/C=C\CCN=c1cc[nH]cc1C 713486266 CRBZBENPABDZHO-PLNGDYQASA-N 188.274 2.356 0 20 AEAD Cc1cnc(N[C@@H]2CC23CCC3)nc1 721180076 YKAHFJQAYUUYKV-SECBINFHSA-N 189.262 2.140 0 20 AEAD CCC(=O)[C@@H](C)OC(=O)CCC1CC1 734608238 QBQWGKQMZPKWMW-MRVPVSSYSA-N 198.262 2.087 0 20 AEAD CC/C=C/CCOC(=O)C1=COCC1 744052430 MQLSLOOTXFLSRQ-ONEGZZNKSA-N 196.246 2.190 0 20 AEAD O=C(OC1CCCCC1)[C@H]1CCCO1 756480660 GPAZXDAJMOIBAW-SNVBAGLBSA-N 198.262 2.041 0 20 AEAD CC(=O)OC[C@H]1CCC2(CCCC2)O1 781986834 BQBAMIRXMQXOER-SNVBAGLBSA-N 198.262 2.041 0 20 AEAD O=C(C1=CCCC1)N1CCC[C@@H]2C[C@@H]21 804296286 VHBLOMHUCHMDNM-MNOVXSKESA-N 191.274 2.108 0 20 AEAD C/C=C(\CC)C(=O)NOCCC1CC1 817437906 VPEYQWUGXQCQGQ-XCVCLJGOSA-N 197.278 2.191 0 20 AEAD CCC(=O)OC[C@H](C)C1CCC1 817755817 QLDXMILBNWBTDK-QMMMGPOBSA-N 170.252 2.376 0 20 AEAD CC/C(C)=C\C(=O)NC1CCCC1 822176730 UTNGKBGDENYUBS-HJWRWDBZSA-N 181.279 2.402 0 20 AEAD CC/C(C)=C(/C)C(=O)NOC(C)C 836799453 SUZCHKUAQMZWKX-HJWRWDBZSA-N 185.267 2.189 0 20 AEAD CC[C@@H]1CCC[C@H](CN[C@@H](C)CN)C1 841067127 UGUIPLCSLFFQMT-TUAOUCFPSA-N 198.354 2.140 0 20 AEAD CC[C@@H](OC(=O)c1cocn1)C(C)C 845854085 YPGXIWXQZDKVFH-SECBINFHSA-N 197.234 2.266 0 20 AEAD COC[C@H](CC(C)C)N[C@@H]1C=CCC1 850510385 UBTLAYHZLRHXBP-NEPJUHHUSA-N 197.322 2.356 0 20 AEAD Nc1ccc2[nH]c3cnccc3c2c1 5581416 PPCJCNSRVOYTKC-UHFFFAOYSA-N 183.214 2.298 0 20 AEAD in-vivo CC1(C)CNC[C@H](c2ccccc2)O1 11803095 XMDDPYQDOKILDF-LLVKDONJSA-N 191.274 2.126 0 20 AEAD Cc1ccc(SCCCO)cc1 35114365 KMJTYCHPLDCYPW-UHFFFAOYSA-N 182.288 2.470 0 20 AEAD CCN[C@@H](C)c1ccsc1 37467771 KOUDQGUMPGWHBS-ZETCQYMHSA-N 155.266 2.419 0 20 AEAD C[C@@H]1CCC[C@H](NCc2cc[nH]n2)C1 37507442 QZHIIXPXAKDLNL-ZJUUUORDSA-N 193.294 2.078 0 20 AEAD Cc1ccc(SC[C@H](C)O)cc1 37697156 FANVFKWSVAZDQV-VIFPVBQESA-N 182.288 2.468 0 20 AEAD O[C@H]([C@@H]1CC=CCC1)C(F)(F)F 43367929 VOEKLBKZXUWACJ-RNFRBKRXSA-N 180.169 2.266 0 20 AEAD CC[C@H](C)[C@H](C)NCCOC(C)C 49259576 XYHXCWSVHHMNJV-QWRGUYRKSA-N 187.327 2.436 0 20 AEAD Cc1ccc(C2(O)CC2)cc1F 54346148 OCWMVCPVZKBXEU-UHFFFAOYSA-N 166.195 2.116 0 20 AEAD Fc1ccc(NCc2c[nH]cn2)cc1 54763275 UADWXKRUFSIDOS-UHFFFAOYSA-N 191.209 2.161 0 20 AEAD CC[C@H]1CCC[C@@H](N[C@@H](CC)CO)C1 70562316 PCDKVBRJLBVULE-SDDRHHMPSA-N 199.338 2.316 0 20 AEAD CCCCNc1nc(C)ns1 83647873 RJINNOAICWYHPS-UHFFFAOYSA-N 171.269 2.059 0 20 AEAD CCCc1nsc(NCC2CC2)n1 83652064 JDXRGBAHDADSKT-UHFFFAOYSA-N 197.307 2.313 0 20 AEAD Cc1ccc(-c2cn(C)nn2)c(C)c1 92877791 QXZUXXHHSCVEDU-UHFFFAOYSA-N 187.246 2.099 0 20 AEAD C[C@@H]1CCCC[C@@H]1N[C@@H]1CCO[C@@H]1C 96033415 IFJGLBJNEWMJTD-WISYIIOYSA-N 197.322 2.332 0 20 AEAD CCCOc1ccc2nccnc2c1 114245899 NNUTUBNVWGLTNB-UHFFFAOYSA-N 188.230 2.419 0 20 AEAD CCCCONC(=O)OC(C)(C)C 117359919 NCLQVYJIAYEZDK-UHFFFAOYSA-N 189.255 2.243 0 20 AEAD C/C=C/C(=O)N[C@@H]1CCC(C)(C)C1 122418598 JOXRNTBWQVPFEM-XNPJLODASA-N 181.279 2.257 0 20 AEAD CCC(CC)CNC(=N)NC(C)(C)C 129526507 JBUJCSKOZXCRLY-UHFFFAOYSA-N 199.342 2.335 0 20 AEAD CC[C@@]1(C(=O)O)CCC(F)(F)C1 140085843 DXLXHVMXGVUHDL-SSDOTTSWSA-N 178.178 2.287 0 20 AEAD CC[C@@H](O)CCN[C@H](C)C1CCCC1 157395653 RZQZOYQUEITZRI-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD CCCN1CCCCC[C@@H]1C[C@@H](C)O 163140734 BTZSXQIKENVJEL-VXGBXAGGSA-N 199.338 2.412 0 20 AEAD CCCC[C@H]1CCC[C@H]1NCCCO 166257300 PHXVTGBKXPWEPE-NWDGAFQWSA-N 199.338 2.317 0 20 AEAD CC(C)=CCC[C@H](C)NCC(C)(C)O 167495278 ZKSVLKRORQVDOK-NSHDSACASA-N 199.338 2.482 0 20 AEAD CCC[C@H](O)CN[C@H](C(C)C)C1CC1 167559260 MGPUPURFUGQSKD-NWDGAFQWSA-N 199.338 2.172 0 20 AEAD CC[C@@H](C)NC[C@H](O)c1ccc(C)o1 168183177 LRLYWOGEXNXULW-SCZZXKLOSA-N 197.278 2.010 0 20 AEAD C/C=C\C[S@@](=O)CCCC 216102735 SQPOERCUVIQDIT-TZGMSPROSA-N 160.282 2.111 0 20 AEAD CCCCN[C@@H]1CCS[C@H]1C 220551750 KGZKOVGUABROOW-DTWKUNHWSA-N 173.325 2.270 0 20 AEAD C[C@@H]1CCC[C@H]1CNCC1CC1 226579551 OYFOJJCNHQTHRB-KOLCDFICSA-N 167.296 2.422 0 20 AEAD CCCCNC[C@@H]1CC1(C)C 232978695 MOYLCZIRTIMTFR-VIFPVBQESA-N 155.285 2.422 0 20 AEAD CCC(C)(C)CNc1ncc(F)cn1 233043607 QKVOUHJXXBSGQS-UHFFFAOYSA-N 197.257 2.464 0 20 AEAD CCOC(=O)c1ccc(C2CC2)[nH]1 261209125 OPBGNGNKDSKWTQ-UHFFFAOYSA-N 179.219 2.069 0 20 AEAD CC[C@H](C)[C@H](C)NC[C@H]1CCO[C@H]1C 300372516 FXOMKIVPPOLUAO-FIQHERPVSA-N 199.338 2.436 0 20 AEAD CC(C)C(=O)N1C[C@H]2CCC[C@@H](C2)C1 300730919 DOZLXFKNJGCNCY-QWRGUYRKSA-N 195.306 2.291 0 20 AEAD CCn1ccc(NCC(C)(C)C)n1 300888128 OAISJECPLBPAFK-UHFFFAOYSA-N 181.283 2.361 0 20 AEAD CC[C@H]1CCN(Cc2nccs2)C1 306246151 AWSULCYJDPOKGN-VIFPVBQESA-N 196.319 2.375 0 20 AEAD CC1(C)CCN1C(=O)c1cccs1 306677060 XYWRBOJBVDVOLI-UHFFFAOYSA-N 195.287 2.373 0 20 AEAD C[C@@H]1C[C@@H]1c1noc(C2CCC2)n1 306700246 YHGPNTSQQJSYQG-SVRRBLITSA-N 178.235 2.461 0 20 AEAD C[C@@H]1CN(CC2(C)CC2)CCS1 306761286 RPMQOLYPXOZWFH-SECBINFHSA-N 185.336 2.224 0 20 AEAD CCCN1CCC[C@@](C)(OC)CC1 306924736 KLRXKMBYLGBWJQ-LLVKDONJSA-N 185.311 2.287 0 20 AEAD c1coc(CS[C@H]2CCOC2)c1 307196118 STXOMMCXMGKYGW-VIFPVBQESA-N 184.260 2.302 0 20 AEAD CNc1cccc2c1OCC[C@H]2OC 307285281 KHOTZLJAGRKDNE-SNVBAGLBSA-N 193.246 2.198 0 20 AEAD C[C@@]1(O)CCC[C@]1(C)c1cscn1 307541046 RRLQRYVXRAFHBP-NXEZZACHSA-N 197.303 2.336 0 20 AEAD CC(C)[C@@H]1CCN1C(=O)C1CCC1 307583457 YPBNAIJZRBOSCW-JTQLQIEISA-N 181.279 2.043 0 20 AEAD CC[C@H]1CCC[C@H]1NC(=O)NC(C)C 307610346 HELKGDNSZOVUKO-VHSXEESVSA-N 198.310 2.273 0 20 AEAD CCCCN(C)Cc1cncs1 307995279 VXAAAQQNFSOSCR-UHFFFAOYSA-N 184.308 2.375 0 20 AEAD CCN[C@H]1CCCO[C@H]1CC(C)C 308238033 RNYJOXKDBVDIHY-QWRGUYRKSA-N 185.311 2.190 0 20 AEAD CC[C@@H](N[C@@H](C)CN(C)C)C1CCC1 322390895 OIXNJUJOKRHIHF-CMPLNLGQSA-N 198.354 2.105 0 20 AEAD CCC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 334745177 SLJFSPBJPCENBS-JQWIXIFHSA-N 193.290 2.043 0 20 AEAD CC1=C(C)C[C@@H](C(=O)NC2CC2)CC1 335507423 OGWJGUHTUJFKTA-JTQLQIEISA-N 193.290 2.402 0 20 AEAD CC(C)N(C)C(=O)C1[C@@H]2CCCC[C@@H]12 336121270 XPVKLAHKQZQOQP-NXEZZACHSA-N 195.306 2.289 0 20 AEAD C[C@H]1CN(c2ncccc2F)C[C@@H]1C 336422772 BXUVAUKEXYPCSM-IUCAKERBSA-N 194.253 2.313 0 20 AEAD CC(C)N(C)C(=O)[C@@H]1CC=CC[C@H]1C 336430503 OGKOAFVEDJIMKR-GHMZBOCLSA-N 195.306 2.456 0 20 AEAD CN(Cc1ccon1)C1CCCC1 336552350 LGKHSUWAJIRWAV-UHFFFAOYSA-N 180.251 2.049 0 20 AEAD CCC[C@H](O)CN1CC[C@H]2CCC[C@H]21 378698904 MJFHLJXGFHXDIM-GRYCIOLGSA-N 197.322 2.022 0 20 AEAD CCCC(C)(C)NC(=O)C(C)(F)F 378787586 KSYGNUOPCOGGCS-UHFFFAOYSA-N 193.237 2.337 0 20 AEAD CCC(=O)OCc1occc1C 378860920 PXHCNMGRKLWECB-UHFFFAOYSA-N 168.192 2.041 0 20 AEAD C(=NOC1CCC1)c1nccs1 378863296 VCXVFYINSQAVNJ-UHFFFAOYSA-N 182.248 2.046 0 20 AEAD CN(C/C=C\Cl)Cc1ccoc1 379337511 XTYOCBUVBMEBRA-RQOWECAXSA-N 185.654 2.464 0 20 AEAD CC(C)N(C)CCN[C@H](C)C1CCC1 379606380 QKGWIYBZSKUFAC-LLVKDONJSA-N 198.354 2.105 0 20 AEAD CC[C@@H](NC[C@H](C)CN)C1CCCC1 382773130 AKXOCOQFXLDUGD-ZYHUDNBSSA-N 198.354 2.140 0 20 AEAD C[C@H](N(C)CC1CCCC1)C(C)(C)O 382831064 BJWIPMWCPHCPGD-JTQLQIEISA-N 199.338 2.268 0 20 AEAD C[C@@H]1CCC[C@H](CN[C@H](C)CCN)C1 383193436 XEFOCCDVGIYYQT-UTUOFQBUSA-N 198.354 2.140 0 20 AEAD C[C@H](CC(C)(C)C)NC1CCNCC1 384582985 XOMYAXKXXKYEQS-SNVBAGLBSA-N 198.354 2.153 0 20 AEAD CC/C=C/CN[C@@H]1CCC[C@@H](OC)C1 384743054 MGRIHXWMFYBPJE-GKUNOOHESA-N 197.322 2.500 0 20 AEAD C/C=C(/CC)C(=O)NCC=C(C)C 388775316 HUOVVFMNVSPWNL-YHYXMXQVSA-N 181.279 2.425 0 20 AEAD CCN(CC)Cc1cncc(C)c1 388835897 XLDHNAKVDVPHBK-UHFFFAOYSA-N 178.279 2.232 0 20 AEAD CO[C@H](C)[C@@H](C)N[C@@H]1CCC[C@H]2C[C@H]21 393152574 NTSQZVANWJJWGM-RMPHRYRLSA-N 197.322 2.188 0 20 AEAD CC[C@@H]1CC[C@@H]1NC[C@@H](OC)C1CC1 393473880 LGRRPZIJGBVNSP-ADEWGFFLSA-N 197.322 2.190 0 20 AEAD CCC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 394187866 NOSXMIYHLBPTFT-DCAQKATOSA-N 195.306 2.339 0 20 AEAD CCC[C@H](C)N[C@H](C)c1ccncn1 395959731 FJYOWUCJMZXPEC-VHSXEESVSA-N 193.294 2.316 0 20 AEAD C[C@@H]1C[C@H](NC[C@@H]2CC=CCC2)CO1 401924975 QLZIXGWEHZCNPX-UTUOFQBUSA-N 195.306 2.110 0 20 AEAD COC[C@H](C)N(C)CCC(C)(C)C 602862422 ILRVYZLIPQMPKH-JTQLQIEISA-N 187.327 2.389 0 20 AEAD CCCN(C)[C@H]1CCN(CC)[C@@H](C)C1 607155826 JEJHEPRYKJEVFU-RYUDHWBXSA-N 198.354 2.201 0 20 AEAD CC[C@H]1CO[C@H](C)CN1CC1CCC1 608492530 OYKWTVCINFXKKS-PWSUYJOCSA-N 197.322 2.286 0 20 AEAD CCC[C@H](CN1C2CCC1CC2)OC 637887348 YGMNDCIFLURCHV-HTAVTVPLSA-N 197.322 2.428 0 20 AEAD CC[C@@H]1CCN(C[C@H]2CCO[C@@H]2C)C1 639514894 UUYLUUNRGXGUOJ-IJLUTSLNSA-N 197.322 2.143 0 20 AEAD CCCN(CCC)C[C@H]1CCOC1 642621744 QSNRTROJEZLYEY-LLVKDONJSA-N 185.311 2.145 0 20 AEAD CC/C=C/CNC(=O)[C@]12CCC[C@H]1C2 643317301 SECKWQHXPZPCED-BMPPAVAUSA-N 193.290 2.259 0 20 AEAD CC(C)CCC[C@H](C)NC[C@@H](C)N 643529102 VEXZUWTYVRIOAW-MNOVXSKESA-N 186.343 2.138 0 20 AEAD CCN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 649883941 KQAAGEDWJKOTNL-KXNHARMFSA-N 177.291 2.150 0 20 AEAD CC[C@@H]1CC[C@@H]1NC[C@@H]1CC[C@H](C)O1 651499450 ZVKAUXIHSYIOCW-USZNOCQGSA-N 197.322 2.332 0 20 AEAD CC[C@@H]1OCC[C@H]1N[C@@H]1CCC[C@H]1C 657244986 PAKFTVXFJGFESY-KKOKHZNYSA-N 197.322 2.332 0 20 AEAD C[C@@H]1COCC[C@H]1N[C@]1(C)CC1(C)C 658302564 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182.610 2.225 0 20 AEAD CCCNC(=O)N[C@@H]1CCCC1(C)C 129564034 LSTDZWATUIYLAM-SECBINFHSA-N 198.310 2.274 0 20 AEAD CC(C)COCCN[C@@H]1CCC[C@H]1C 130216518 CZSPREQFHHAIPF-VXGBXAGGSA-N 199.338 2.437 0 20 AEAD Cc1cccc(C)c1C(=O)N(C)C 140844992 HXSLJIHZEBXKML-UHFFFAOYSA-N 177.247 2.005 0 20 AEAD CCCN(CCC)C(=O)C(C)(F)F 166217160 FZJRCTIRINAOIT-UHFFFAOYSA-N 193.237 2.290 0 20 AEAD CC(C)C[C@H](O)CN[C@@H](C)CC1CC1 167119682 HZEJHYWSNQZLBO-JQWIXIFHSA-N 199.338 2.172 0 20 AEAD CC(C)CN[C@@H]1CCS[C@H]1C 220498120 MENASOGSOBVDHY-DTWKUNHWSA-N 173.325 2.126 0 20 AEAD CCC[C@H](C)NCCC[C@@H](C)CO 222538347 XMBXXJNQPWCKLR-MNOVXSKESA-N 187.327 2.173 0 20 AEAD C[C@H](O)CCCN1C[C@@H](C)C[C@@H](C)C1 223286790 YVEATRPMAWITBU-TUAOUCFPSA-N 199.338 2.125 0 20 AEAD C1=C[C@H]2C[C@H]1CN2CCc1ccccc1 223976660 AXDBCZGURXROOS-KBPBESRZSA-N 199.297 2.489 0 20 AEAD CCCNC(=O)[C@H](C)SCCC 224165331 LZABZAJVBUJKKE-QMMMGPOBSA-N 189.324 2.044 0 20 AEAD CC1(CNCCc2ccncc2)CC1 226384984 CJSIDKHPDGAIMM-UHFFFAOYSA-N 190.290 2.014 0 20 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20 AEAD CC1(C)CCC[C@H](O)CC1 83436278 AHTKROFORNYYSL-QMMMGPOBSA-N 142.242 2.338 0 20 AEAD O=C(O)[C@H](F)c1cccc(F)c1F 86243053 DLXMYDTYJYYKLZ-SSDOTTSWSA-N 190.120 2.060 0 20 AEAD C[C@H](O)[C@@H](C)CCC1CC1 86360046 JCBRUGYZTMTMGG-YUMQZZPRSA-N 142.242 2.194 0 20 AEAD C[C@H](O)[C@H](C)Sc1ccc(O)cc1 87139924 QBIMHUPQJVYTLZ-YUMQZZPRSA-N 198.287 2.254 0 20 AEAD CC(C)[C@@H](CO)N[C@H]1CCC(C)(C)C1 87772339 NFVASUOCEMTLGM-WDEREUQCSA-N 199.338 2.172 0 20 AEAD C[C@H]1CCC[C@@H](NCC(C)(C)CO)C1 88170303 MPEIIRGRLOEAHN-WDEREUQCSA-N 199.338 2.173 0 20 AEAD O[C@@H]1CC[C@H](CCc2ccccc2)O1 98180431 KMUJWWARKYMPOT-RYUDHWBXSA-N 192.258 2.117 0 20 AEAD CC1(C)CCC(=O)[C@@H](C(=O)C2CC2)C1 112540638 BLANHTKWDHULAF-VIFPVBQESA-N 194.274 2.361 0 20 AEAD C[C@H]1CCC[C@@H]1NCC1=CCCOC1 124701407 XZAWGTFMQYMBGK-JQWIXIFHSA-N 195.306 2.111 0 20 AEAD CCC(CC)CN[C@@H](C)c1ncc[nH]1 124781882 PJHKKKJSNKDNHA-VIFPVBQESA-N 195.310 2.497 0 20 AEAD C[C@@H](NCc1ncccc1F)C1CC1 131242429 PPJXHGJZLCYLCA-MRVPVSSYSA-N 194.253 2.109 0 20 AEAD 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193.290 2.211 0 20 AEAD CC(C)C1CCN([C@@H]2CCOC2)CC1 336344202 ISIGZEFZGCDWMS-GFCCVEGCSA-N 197.322 2.143 0 20 AEAD Cc1cnc(-c2nc(C)no2)c(C)c1 349855561 BSNFVQBZSBKEDM-UHFFFAOYSA-N 189.218 2.057 0 20 AEAD CCN(C(=O)C(C)(F)F)C1CCC1 378758032 UIIRTAOKVJXJME-UHFFFAOYSA-N 191.221 2.043 0 20 AEAD CO[C@H](C)CCN[C@@H](C)c1ccoc1 379584173 NYNBVWLJUOUVSH-ZJUUUORDSA-N 197.278 2.355 0 20 AEAD C[C@H](O)CCCN(C)[C@@H](C)C1(C)CC1 381642647 PPCPRYJAHADCDB-QWRGUYRKSA-N 199.338 2.268 0 20 AEAD Cc1cncc(NC/C=C\C2CC2)n1 382184947 BLMGULCUMUQSOF-IHWYPQMZSA-N 189.262 2.163 0 20 AEAD CC[C@@H](C)CN(C)[C@@H](C)C(C)(C)O 382908851 ZNIPKULWMLJXIL-ZJUUUORDSA-N 187.327 2.124 0 20 AEAD CC/C=C/CN[C@@H]1CCCC[C@H]1CN 384740218 LRKGVXWECGVHIP-CXILLOQGSA-N 196.338 2.060 0 20 AEAD CCN(CC)CCC1CCOCC1 388317450 VSBPGKFUHQHNLN-UHFFFAOYSA-N 185.311 2.145 0 20 AEAD C[C@H](CF)N[C@H](C)[C@H]1CC1(C)C 388404771 RJWOLKVUJMERRX-IWSPIJDZSA-N 173.275 2.369 0 20 AEAD CC(C)(C)CCCN[C@@H](CO)C1CC1 389219329 MOMAIPKAHRBWIF-NSHDSACASA-N 199.338 2.173 0 20 AEAD C[C@@H](CN(C)CCN)C1CCCCC1 393664072 CWODMNNCBOAWFV-NSHDSACASA-N 198.354 2.093 0 20 AEAD CC[C@H](NCC[C@H](C)CCO)C1CC1 397723148 LDQKFDHAYYXHMR-JQWIXIFHSA-N 199.338 2.173 0 20 AEAD C[C@@H](CO)SCCC1CCC1 398448677 FZOHOXWMZLXDQH-QMMMGPOBSA-N 174.309 2.291 0 20 AEAD CCC(C)(C)CCN1CC[C@@H](CO)C1 608497736 XSQJQCOOFAYJNX-LLVKDONJSA-N 199.338 2.127 0 20 AEAD CC/C=C/CNCc1ncc(C)o1 639227319 KXYBZFSLMWXJMN-SNAWJCMRSA-N 180.251 2.039 0 20 AEAD CCC[C@H](C)[C@@H](CC)NC[C@H](C)N 643528615 LZJSBGVFNYLGBX-GARJFASQSA-N 186.343 2.138 0 20 AEAD CC[C@@H](N)CN[C@H](C)CCC=C(C)C 643540266 NIXQMVPDVPJMNN-VXGBXAGGSA-N 198.354 2.448 0 20 AEAD CO[C@@H]1CCN(CCC(C)C)C[C@@H]1C 648742442 WJWGJTLQXATPHI-NWDGAFQWSA-N 199.338 2.389 0 20 AEAD CCC1(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 650677858 BDYFYIXYWXLRIY-VHSXEESVSA-N 193.290 2.091 0 20 AEAD CC[C@@H](NC1CC2(CCC2)C1)[C@H](C)O 656636402 XMPLOIWOSUUZTF-GXSJLCMTSA-N 197.322 2.068 0 20 AEAD COC[C@@H](C)NC1(CC(C)C)CC1 657774810 LHSOWBLXZVIURY-SNVBAGLBSA-N 185.311 2.190 0 20 AEAD CC[C@H](C)CCNC(=O)NC1CCC1 660608268 KNQUDZCQBDCREQ-VIFPVBQESA-N 198.310 2.274 0 20 AEAD CCC[C@@H](NC(N)=O)C1CCCC1 666361120 LJKBTTOEZCKABJ-SECBINFHSA-N 184.283 2.014 0 20 AEAD CC(C)OCC(C)(C)NC[C@@H]1C[C@H]1C 666463086 HEARLYCIJCZUGH-MNOVXSKESA-N 199.338 2.436 0 20 AEAD CCCC[C@H](CN)NC[C@@H](C)CC 666759206 QJDUHSCXLVMDLE-WDEREUQCSA-N 186.343 2.140 0 20 AEAD CCOCCN1CC[C@@](C)(CC)C1 675186261 LNEIYVSNJLVTFH-LLVKDONJSA-N 185.311 2.145 0 20 AEAD Cc1n[nH]cc1CN(C)CCC(C)C 678136748 HQAMIVYPTPKCPM-UHFFFAOYSA-N 195.310 2.196 0 20 AEAD CC[C@H]1CCCN(C[C@@H](C)OC)C1 679850281 BNLSIIOQPMVTIQ-MNOVXSKESA-N 185.311 2.143 0 20 AEAD C[C@@H]1COC[C@H]1N[C@@H]1CCC(C)(C)C1 687999690 PWXPWFIIMPFSMM-GMTAPVOTSA-N 197.322 2.190 0 20 AEAD C[C@@H]1CC[C@H](NCC[C@@H](C)N(C)C)C1 700508879 ZCAGNBRWZRQMQK-UTUOFQBUSA-N 198.354 2.105 0 20 AEAD CCCCC[C@@H](C)NC[C@H]1C[C@@H](O)C1 720993810 FFFXOSAUSOJEFZ-UTUOFQBUSA-N 199.338 2.316 0 20 AEAD CCC(=O)CCN(C)CC1CCCC1 753711103 VSOHGEOAVSZHQP-UHFFFAOYSA-N 197.322 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C[C@H]1C[C@]1(N)c1ccccc1F 11886199 VVZSOIAUIWWFRI-OIBJUYFYSA-N 165.211 2.020 0 20 AEAD CCCCCN[C@@H]1CCSC1 19901257 ARLVALGQPASVJW-SECBINFHSA-N 173.325 2.272 0 20 AEAD COCCNc1cccc(C)c1 20034713 OGXBDPVULQEBSG-UHFFFAOYSA-N 165.236 2.053 0 20 AEAD O=C(O)/C=C1\CCCc2ccccc21 20259886 BZGRNCRWQYXYAG-CSKARUKUSA-N 188.226 2.491 0 20 AEAD CCOC(=O)[C@@H](C)C(C)(C)C 32161240 RJVVJFUOVLJSET-SSDOTTSWSA-N 158.241 2.232 0 20 AEAD CCN(CCCCO)C1CCCC1 35773176 WXNUOBSQBQLPPU-UHFFFAOYSA-N 185.311 2.023 0 20 AEAD CCc1c(CC(C)(C)C)nn(C)c1N 36916268 HAPUXYKOPSKDRG-UHFFFAOYSA-N 195.310 2.153 0 20 AEAD CCC[C@@H](C)NCC1CCN(C)CC1 44515235 BQCZBEZJHBEXEQ-LLVKDONJSA-N 198.354 2.106 0 20 AEAD CC(C)CN(C)C(=O)c1cccs1 70225956 KAEDXUCAADQHHH-UHFFFAOYSA-N 197.303 2.476 0 20 AEAD CC[C@H](COC)N[C@H](CC)C(C)C 70624256 WZAADIUVQIINDI-GHMZBOCLSA-N 187.327 2.436 0 20 AEAD CC(C)CNCCC[C@@H]1CCOC1 70639491 DEIGFGFULQBXGJ-LLVKDONJSA-N 185.311 2.049 0 20 AEAD C[C@H]1CCC[C@@H]1NCC(F)F 70830525 AVJOINNSKAWBGS-BQBZGAKWSA-N 163.211 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195.306 2.339 0 20 AEAD CC1(C)CCC2(CC[C@H](CO)O2)CC1 307273126 HINOBRIOUPCAFY-SNVBAGLBSA-N 198.306 2.497 0 20 AEAD CC1(C)CC(CNc2cnccn2)C1 307460438 DYWXFOBPXIXLRW-UHFFFAOYSA-N 191.278 2.325 0 20 AEAD CC(C)SC[C@@H]1CC[C@H](N)C1 307582932 WWTIVBNYJMJWHM-BDAKNGLRSA-N 173.325 2.255 0 20 AEAD C[C@@H]1C[C@@H](C)CN(CCCF)C1 307729956 GIHFNBULBMESOG-NXEZZACHSA-N 173.275 2.324 0 20 AEAD CCC(CC)(CC)CNC[C@H](C)O 308247918 YKLIHVAMHGYTSL-JTQLQIEISA-N 187.327 2.173 0 20 AEAD C[C@H]1C[C@H]1CN(C)Cc1ccoc1 308315949 VMEJECCASNGHTJ-ONGXEEELSA-N 179.263 2.367 0 20 AEAD CCC(CC)NC(=O)CCC1CC1 308325268 DVQNTZDJRITHHM-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CCC(CC)CC(=O)NCCCF 308435891 WJSNOZVNERVIGZ-UHFFFAOYSA-N 189.274 2.289 0 20 AEAD CC1(CCNCc2ccncc2)CC1 308588436 UCWBBPNMTPWJAG-UHFFFAOYSA-N 190.290 2.361 0 20 AEAD CC[C@@](C)(O)CN[C@H]1CC=C(C)CC1 308741611 PCIRZRLIEJEFNE-NWDGAFQWSA-N 197.322 2.236 0 20 AEAD CCCN1CC[C@@H](N[C@H](C)C(C)C)C1 328320520 DSGCHECQFHDFQU-VXGBXAGGSA-N 198.354 2.105 0 20 AEAD 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607527771 YKKNZOGZYKJXOD-NXEZZACHSA-N 195.306 2.434 0 20 AEAD CCOCCN1C[C@H](C)C[C@@H]1CC 608752353 RBOGSCBAQFIIGH-MNOVXSKESA-N 185.311 2.143 0 20 AEAD CCCCCN1N=C(C)[C@H](C)C1=O 634618996 LHKDLYUXSRUMJP-QMMMGPOBSA-N 182.267 2.031 0 20 AEAD CCCC1(CNCc2ccon2)CC1 634968193 ITUPHWQQFHSBMR-UHFFFAOYSA-N 194.278 2.345 0 20 AEAD C[C@H](CF)NC[C@@H]1CC[C@H]2C[C@H]2C1 639182416 FYESMYSBSUFCED-CHWFTXMASA-N 185.286 2.370 0 20 AEAD C[C@@H](NCCCC(C)(C)C)C1CNC1 643465281 BEPHTAQMMGBXIO-SNVBAGLBSA-N 198.354 2.010 0 20 AEAD CCC[C@H](C)NC(=O)c1cc(F)c[nH]1 645040715 CFAHOMMMBNWCHM-ZETCQYMHSA-N 198.241 2.072 0 20 AEAD CC[C@H](NC[C@H]1C[C@@H]1C)C(F)F 648620092 FXEIUGBMEHGPTN-RNJXMRFFSA-N 177.238 2.276 0 20 AEAD O=C(CC1CC1)NC1(C2CCC2)CC1 650666386 QJVBZCFZAXMGQW-UHFFFAOYSA-N 193.290 2.235 0 20 AEAD C[C@@H](NC(=O)[C@H]1CC12CCC2)C1CC1 650763457 UHFCKEZHSUHTQL-PSASIEDQSA-N 193.290 2.091 0 20 AEAD CCC[C@@H](C)[C@H](CC)N[C@H]1CCNC1 665243660 PQJBMHGDQGCODL-WOPDTQHZSA-N 198.354 2.153 0 20 AEAD C[C@@H]1CC[C@@H](CC(=O)NCC2CC2)C1 675222241 HMLKCVDCMDGNSV-MWLCHTKSSA-N 195.306 2.339 0 20 AEAD C[C@@H](NC(=O)CCC1CC1)C1CCC1 677338936 GWOJIBRCNVICMN-SECBINFHSA-N 195.306 2.481 0 20 AEAD CO[C@H](C)CN(C)Cc1ccoc1C 679851443 UDMLFCDOZMAXHE-SECBINFHSA-N 197.278 2.055 0 20 AEAD COC[C@@H](C)N1CCC[C@@H](C(C)C)C1 682042607 TWHSBRSRKXASJI-VXGBXAGGSA-N 199.338 2.389 0 20 AEAD C[C@@H]1C[C@@H]1CN(C)Cc1ccccn1 683111233 RWNALZDHBHPGOS-GHMZBOCLSA-N 190.290 2.169 0 20 AEAD C=C/C=C/CCNCC1=CCCOC1 713765319 VECQPFXWTCOWRI-ONEGZZNKSA-N 193.290 2.055 0 20 AEAD CO[C@H](C)COC(=O)C=C1CCCC1 770678270 XCJRHQNCVJRDAA-SECBINFHSA-N 198.262 2.065 0 20 AEAD C/C=C(/CC)C(=O)Nc1cc(C)[nH]n1 774374492 CICJEHPJQGVWAD-YWEYNIOJSA-N 193.250 2.013 0 20 AEAD Fc1cccc(N2CCC[C@H]3C[C@@H]32)n1 804784792 SUTXCTDBEQTGHI-IUCAKERBSA-N 192.237 2.209 0 20 AEAD C[C@@H](CC(=O)NOC1CCC1)C1CC1 812794630 LVHMCKQJCGYVIB-QMMMGPOBSA-N 197.278 2.023 0 20 AEAD CCC/C(C)=C\C(=O)NOCC1CC1 817331317 ZJZSAFHUZZGGDN-CLFYSBASSA-N 197.278 2.191 0 20 AEAD CCC[C@H](C)c1noc([C@@H](C)CN)n1 822770365 COANKWICVRNOLW-YUMQZZPRSA-N 197.282 2.035 0 20 AEAD OCCCN(c1ccccc1)C1CC1 832156021 BJZJPSVYVPJBLQ-UHFFFAOYSA-N 191.274 2.038 0 20 AEAD CS[C@H](C)COC(=O)C1CCC1 835682196 SVFCMLISWUHANJ-SSDOTTSWSA-N 188.292 2.081 0 20 AEAD CC/C=C(/C)C(=O)N1CC(CC)C1 837262294 YHBAYASMGXMIQW-TWGQIWQCSA-N 181.279 2.211 0 20 AEAD C[C@@H]1C[C@@H]1C(=O)OC[C@@H]1C[C@@H]2C[C@@H]2C1 851413516 LLIDRZOPCPBAFT-APLZJWDSSA-N 194.274 2.232 0 20 AEAD CC(C)c1nnc(N[C@H]2C=CCC2)o1 853799691 JJAJFOWHJGTALM-QMMMGPOBSA-N 193.250 2.324 0 20 AEAD C[C@@H]1C[C@H]1CN1CCC[C@H](CF)C1 880238558 UTICNWROGOAGSA-MXWKQRLJSA-N 185.286 2.324 0 20 AEAD CC(C)(C)OC(=O)NC/C=C\Cl 908453415 URWCLJSGLYWDFK-PLNGDYQASA-N 191.658 2.264 0 20 AEAD C[C@@H](CC(=O)N1CCCCC1)C1CC1 920426523 MCBVEUYANQZHIJ-JTQLQIEISA-N 195.306 2.435 0 20 AEAD CC(C)[C@H]1CCCN1CCOC1CC1 929348581 RJFAANAQMRJXBY-GFCCVEGCSA-N 197.322 2.286 0 20 AEAD Cc1nnc(-c2cc(C(C)C)no2)o1 1323851675 QPDQFPYYLCWYOX-UHFFFAOYSA-N 193.206 2.156 0 20 AEAD CC[C@@H](C)[C@H](OC)c1nnc(C)o1 1327824893 UIEMKGZHGPNBGD-SVRRBLITSA-N 184.239 2.112 0 20 AEAD CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C 1514711600 SCEQZVJCLZLMES-HBNTYKKESA-N 195.306 2.434 0 20 AEAD NCc1cc(F)cc(C(F)F)c1 1898225759 RNFRFYJUBXCJHE-UHFFFAOYSA-N 175.153 2.222 0 20 AEAD CSCc1cc(C(C)=O)ccc1O 1037909 QNUGTIDCNAFOBL-UHFFFAOYSA-N 196.271 2.458 0 20 AEAD CC(C)CNCCCN1CCCCC1 20128731 VXYUDBKAORAJLF-UHFFFAOYSA-N 198.354 2.108 0 20 AEAD C[C@@H]1C[C@H]1c1ccc(CC2CNC2)o1 22161079 OMKHPQDCWOYVEP-LDYMZIIASA-N 191.274 2.165 0 20 AEAD C[C@@H]1CCCN(c2ccc(C=O)o2)C1 31973664 VGIILUBBZQMHMX-SECBINFHSA-N 193.246 2.328 0 20 AEAD Cc1cccc(C(=O)OC(C)C)c1O 34538351 WDMROVYOGGIIAR-UHFFFAOYSA-N 194.230 2.266 0 20 AEAD Cc1coc(Br)c1 34567049 DFVQFHIWZDGNQQ-UHFFFAOYSA-N 160.998 2.351 0 20 AEAD C[C@H](O)c1ccc(N2CCCC2)cc1 35631058 RSRMHMXKTIMIMX-JTQLQIEISA-N 191.274 2.340 0 20 AEAD CCN1c2ccccc2C[C@@H]1C 38888735 IUPDNKDLTMMZSD-VIFPVBQESA-N 161.248 2.458 0 20 AEAD CC[C@@H](C)CN[C@@H](CO)CC(C)C 40774930 KENUHOWLKZMDAX-GHMZBOCLSA-N 187.327 2.029 0 20 AEAD CC(C)(N)CNC1CCCCCC1 40926050 VKWOXABERKRKHW-UHFFFAOYSA-N 184.327 2.036 0 20 AEAD CCCCCN(CC(C)=O)C(C)C 42558250 NOWWDCVUUMLYHH-UHFFFAOYSA-N 185.311 2.476 0 20 AEAD CC(C)N(C)CCC[C@H]1CCCNC1 43591774 OEMYVHREYLSEOQ-GFCCVEGCSA-N 198.354 2.106 0 20 AEAD Nc1cc(C2CCCCC2)ncn1 44119013 FDANZARMWNRUFS-UHFFFAOYSA-N 177.251 2.107 0 20 AEAD COc1ccc(C2CC(N)C2)cc1F 50225011 SULQCLGDPZTVGI-UHFFFAOYSA-N 195.237 2.039 0 20 AEAD in-vitro C[C@H](C(=O)N1CCC[C@@H](C)C1)C1CC1 62105399 WNKBPZJVAXETJG-ZJUUUORDSA-N 195.306 2.291 0 20 AEAD CCCCCNC(=O)Cc1ccco1 74696872 JWCDQVRNLHPZEW-UHFFFAOYSA-N 195.262 2.129 0 20 AEAD CCOc1cccc([C@H]2CCN2)c1 78678154 YVIFOLZWFJPRBJ-LLVKDONJSA-N 177.247 2.120 0 20 AEAD COCCCN[C@@H]1C[C@@H](C)CC[C@H]1C 82857729 ZIPCJYFCGJWJQP-QJPTWQEYSA-N 199.338 2.437 0 20 AEAD CC[C@@H](N[C@H](COC)C(C)C)C1CC1 83397682 LRAIYWIZJIEOSK-VXGBXAGGSA-N 199.338 2.436 0 20 AEAD CC(C)[C@H]1CCCN1CCC(C)(C)O 86234370 WMJYXOIDOZECJD-LLVKDONJSA-N 199.338 2.268 0 20 AEAD C[C@@H]1CCCC[C@@H]1NCCC(C)(C)O 86235084 FBDQTCGRVPDGJN-MNOVXSKESA-N 199.338 2.316 0 20 AEAD CCNC(=O)N[C@@H]1CCC[C@@H](CC)C1 125814385 QOAHRXHAEVNQAX-NXEZZACHSA-N 198.310 2.274 0 20 AEAD Cc1nccc(NCCC2CCC2)n1 130326062 YTXMNQHZTHUADT-UHFFFAOYSA-N 191.278 2.387 0 20 AEAD CC(C)N(C)C(=O)NC1CCCCC1 135904257 KARADKOOPUBPEQ-UHFFFAOYSA-N 198.310 2.369 0 20 AEAD CCCN(C)CC=C(C)C 142162859 DTNOFBNFVKHXKG-UHFFFAOYSA-N 141.258 2.294 0 20 AEAD COC(=O)Oc1ccc(C)cc1OC 166462566 OLPGHBILOFNQNR-UHFFFAOYSA-N 196.202 2.149 0 20 AEAD CC(C)N[C@@H]1CCCC[C@H]1F 212075053 MGYPKXVQXXZFNP-RKDXNWHRSA-N 159.248 2.265 0 20 AEAD C/C=C\C[S@](=O)CCCC 216102652 SQPOERCUVIQDIT-ATPLWMGHSA-N 160.282 2.111 0 20 AEAD CC1(C)[C@H]2CCCC[C@@H]2[C@H]1N 225174110 YWVNNWMOZXIYST-XHNCKOQMSA-N 153.269 2.160 0 20 AEAD C[C@H](N[C@H]1C=CCCC1)[C@@H]1CCCO1 230396182 WFRUQXSLEJYLPF-SRVKXCTJSA-N 195.306 2.252 0 20 AEAD CC(C)[C@@H](C)SCCCO 231193731 KHZGSWSTCJPQGP-MRVPVSSYSA-N 162.298 2.147 0 20 AEAD CC[C@@H](NC[C@H]1CCCCN1)C(C)C 233892063 XIJQNIMGLZIPQA-VXGBXAGGSA-N 198.354 2.153 0 20 AEAD C[C@H](O)CN(C)[C@H](C)c1ccccc1 251074236 GAPOCLAGFWASEU-WDEREUQCSA-N 193.290 2.060 0 20 AEAD C[C@@H]1CCCC[C@H]1NC[C@H]1CCCO1 252134613 LIEUHPQYSJQOQX-IJLUTSLNSA-N 197.322 2.334 0 20 AEAD C[C@H]1CCN(CCC(C)(C)C)[C@H]1CO 299903238 APEDAPKJKDOEJT-QWRGUYRKSA-N 199.338 2.125 0 20 AEAD CC(C)CC(=O)N[C@@H]1CCC1(C)C 306220250 URGDPVYIXSULDJ-SECBINFHSA-N 183.295 2.337 0 20 AEAD CC[C@@H]1CC[C@H]1NC1CCC1 306334827 GEGOHNFNBCWHLV-PSASIEDQSA-N 153.269 2.317 0 20 AEAD C/C=C/C[S@@](=O)C1CCCC1 306363036 WEQMSMUNZBXSMX-KXMPLOMGSA-N 172.293 2.254 0 20 AEAD C[C@H](CO)N[C@H]1CCCC12CCCC2 306496730 FGYHYFDMPXHOKZ-MNOVXSKESA-N 197.322 2.070 0 20 AEAD C[C@@H]1C[C@@H]1CN1CCC(C)(C)C1 306997082 UZHCFAXCSNDELQ-NXEZZACHSA-N 167.296 2.374 0 20 AEAD c1coc(CS[C@@H]2CCOC2)c1 307196117 STXOMMCXMGKYGW-SECBINFHSA-N 184.260 2.302 0 20 AEAD CCN(CC1CC1)c1nccs1 308003220 CGTBDZVRYDJIBV-UHFFFAOYSA-N 182.292 2.379 0 20 AEAD CC(C)COC(=O)[C@@H]1C[C@@H]1C1CC1 308142915 JSYCYHVFMHHZNO-NXEZZACHSA-N 182.263 2.232 0 20 AEAD FCCCCN1CC[C@@H](C2CC2)C1 308198227 VHHGVDLLPSZCOS-LLVKDONJSA-N 185.286 2.468 0 20 AEAD CO[C@H](C)CN[C@@H](C)CCC1CC1 308437008 XDMCBIFSEWLQAL-VHSXEESVSA-N 185.311 2.190 0 20 AEAD C[C@@H](CCCCO)NC[C@@H]1CC1(C)C 308641163 DVSBIWLLROPTGT-QWRGUYRKSA-N 199.338 2.173 0 20 AEAD Cc1cnc([C@@H](C)N2CC[C@@H](C)C2)o1 334230579 JYCNNEPLJKEPPN-PSASIEDQSA-N 194.278 2.386 0 20 AEAD CN1CC[C@H](CSC2CCC2)C1 335231440 LZOWJJPLNONKSE-VIFPVBQESA-N 185.336 2.224 0 20 AEAD CCN(C)C(=O)c1c(C)cccc1C 336063902 LXMVVJQRCCLBJM-UHFFFAOYSA-N 191.274 2.395 0 20 AEAD CCC[C@H](C)NC[C@@]1(C)CCOC1 379410144 FODCNDYKWVXXBV-WDEREUQCSA-N 185.311 2.191 0 20 AEAD CCC[C@](C)(CC)C(=O)NOCC 379411000 HFMCAOYDFZGOEC-JTQLQIEISA-N 187.283 2.271 0 20 AEAD C[C@@H](C(=O)NCCCF)C(C)(C)C 379417666 UZPDVOPANYFRMK-QMMMGPOBSA-N 189.274 2.144 0 20 AEAD CC(C)[C@](C)(O)CNC1CC(C)(C)C1 379603423 NWMCAWUAOWMPPQ-GFCCVEGCSA-N 199.338 2.172 0 20 AEAD COCCSc1ccncc1C 382387528 LDOKWRUJCZWZSS-UHFFFAOYSA-N 183.276 2.129 0 20 AEAD OCCCCN1CCC2(CCCC2)C1 388977464 JNEIPULLXWNTPI-UHFFFAOYSA-N 197.322 2.025 0 20 AEAD CC[C@@H](N[C@@H](C)C1CCC1)C(C)(C)O 394030553 MTQFKBOVRYSAFD-GXSJLCMTSA-N 199.338 2.314 0 20 AEAD C[C@H]1CCCC[C@H]1CN(C)CCCN 394827344 LFWJNICEZYTOGH-RYUDHWBXSA-N 198.354 2.093 0 20 AEAD C[C@@H]1CC[C@@H]1N[C@H]1C=CCC1 575502442 VIKPPKUNJSVDEC-UTLUCORTSA-N 151.253 2.093 0 20 AEAD C=Cc1cnn(CC(F)(F)F)c1 585142805 ZFBWPRSBLVRSLJ-UHFFFAOYSA-N 176.141 2.088 0 20 AEAD CC(C)[C@H](C)C(=O)NCc1ccoc1 603100121 HLRZTBGRAMOPCV-VIFPVBQESA-N 195.262 2.188 0 20 AEAD O=C(CCC1CC1)N[C@@H]1CC=CCC1 605489885 LYOHXAUICUGOET-LLVKDONJSA-N 193.290 2.402 0 20 AEAD CCO[C@H]1CCCN(CC2CCC2)C1 608501670 IFLIPMRNPRXIDG-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CC[C@H](NC(=O)c1ccoc1)C1CC1 618860639 LPBXOILZEAVEJT-JTQLQIEISA-N 193.246 2.198 0 20 AEAD Cc1ccoc1CN1C[C@H]2C[C@H]2C1 628408915 JDNOLYROJIIQKI-AOOOYVTPSA-N 177.247 2.040 0 20 AEAD CCC(C)(C)CNC(=O)N1CC=CC1 637085242 CVTNLKJLSVQZQR-UHFFFAOYSA-N 196.294 2.004 0 20 AEAD CCC1(NC(=O)CCC2CC2)CC1 650677279 OTDOYUKGYTVPSA-UHFFFAOYSA-N 181.279 2.235 0 20 AEAD CC/C=C/CNC(=O)N(C)CC1CC1 653035287 GMAYQBNDYCVEQE-SNAWJCMRSA-N 196.294 2.004 0 20 AEAD CC(=O)[C@H](C)CCSc1ncco1 657259774 YLDJNPJAAAZCSL-SSDOTTSWSA-N 199.275 2.382 0 20 AEAD C[C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](O)C1 658349152 VFIGJTKQPVLMFH-DDHJBXDOSA-N 197.322 2.068 0 20 AEAD c1coc([C@@H]2C[C@H]2NCC2CC2)c1 666484081 KYGUIKVWZOPYOU-NXEZZACHSA-N 177.247 2.135 0 20 AEAD C[C@H]1[C@H](C)CCN1CCOC1CCC1 672545009 MVMVGAUDZDOJLD-MNOVXSKESA-N 197.322 2.286 0 20 AEAD C[C@@H]1COC[C@H]1NCCCC1CCC1 688418451 NHWOIUJKCMSFIL-ZYHUDNBSSA-N 197.322 2.191 0 20 AEAD C[C@@H](CCNC1CC(C)(C)C1)N(C)C 697825806 GZOZBAHTKDEUPF-JTQLQIEISA-N 198.354 2.105 0 20 AEAD CC[C@H]1CCC[C@@H]1NCCOC1CC1 711669734 ISCKAZKZYQEOLK-JQWIXIFHSA-N 197.322 2.334 0 20 AEAD CCCCC(=O)NC[C@@H]1C=CCC1 711743328 MJOLSGVJVNMOQZ-SNVBAGLBSA-N 181.279 2.259 0 20 AEAD O=C(NC[C@@H]1C=CCC1)C1CC=CC1 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AAVPFWUHOWUBCY-UHFFFAOYSA-N 191.278 2.387 0 20 AEAD C[C@@H]1CSC[C@@H]1N[C@@H]1CC1(C)C 306156941 MMMSZMNQVAJTTI-HRDYMLBCSA-N 185.336 2.126 0 20 AEAD COc1cccnc1N[C@@H]1CC[C@@H]1C 306207867 RDYHAEQPBSHLOE-DTWKUNHWSA-N 192.262 2.301 0 20 AEAD Cc1noc(/C=C/c2cncs2)n1 306342133 ZAJYVOUQUOQMFB-NSCUHMNNSA-N 193.231 2.005 0 20 AEAD CC(C)[C@@H](C)NC1(C)CC1 306876661 HPJBWSQYXQJVEX-MRVPVSSYSA-N 141.258 2.173 0 20 AEAD Cc1nccc(N[C@@H]2CCC2(C)C)n1 307025529 JPKFPPQESGIPJY-SECBINFHSA-N 191.278 2.386 0 20 AEAD CSc1nnc(OC(C)C)s1 307273321 WFNCMHUMDXTDQK-UHFFFAOYSA-N 190.293 2.047 0 20 AEAD CC(C)N(CCCF)C1CC1 307890068 YMYWFDLWAJONSC-UHFFFAOYSA-N 159.248 2.219 0 20 AEAD C/C=C/COC(=O)C1=CCCC1 308033047 JOCLYGSOLQNUJO-NSCUHMNNSA-N 166.220 2.216 0 20 AEAD O=C(CCC1CC1)OCCCF 308090586 STZYDZPSTDDCDV-UHFFFAOYSA-N 174.215 2.079 0 20 AEAD CCCOC(=O)N[C@@H]1CCC[C@H]1C 308159427 VUBRMJQHKWFPOY-RKDXNWHRSA-N 185.267 2.311 0 20 AEAD O=C(OCCCF)[C@H]1CC=CCC1 308184277 IJQMBZBRSYBFTF-VIFPVBQESA-N 186.226 2.246 0 20 AEAD CC1(C)C[C@@H]1C(=O)OCCC1CC1 308193110 OXYHXGCORWJYQM-SECBINFHSA-N 182.263 2.376 0 20 AEAD CCCCOC(=O)c1cc[nH]c1C 308215665 JEAFADRKKHCJBP-UHFFFAOYSA-N 181.235 2.280 0 20 AEAD CC(C)OC(=O)C(C1CC1)C1CC1 308217693 MUWHCOOAOBAADQ-UHFFFAOYSA-N 182.263 2.374 0 20 AEAD C/C=C(/C)C(=O)NCC1(CC)CC1 308289124 GBEDQFJOTACBHZ-WTKPLQERSA-N 181.279 2.259 0 20 AEAD C[C@H]1C[C@H]1CN(CC(F)F)C1CC1 308319000 XJMPAAMRUOJAKH-YUMQZZPRSA-N 189.249 2.372 0 20 AEAD C[C@@H](NC1CC(C(F)F)C1)C1CC1 308351087 YKUPMFMNLPZLCO-KXNKJCORSA-N 189.249 2.418 0 20 AEAD CC[C@]1(C)CCN(C[C@@H](O)C(C)C)C1 308449818 CZQYYISVLKAFGA-VXGBXAGGSA-N 199.338 2.125 0 20 AEAD CCCCN[C@H](C)C[C@@H]1CCOC1 308481913 NPDJWSNGOJDZJZ-MNOVXSKESA-N 185.311 2.191 0 20 AEAD C[C@H](CCCN)NC1CCCCCC1 308516561 VHZBMJCSYYQUGL-LLVKDONJSA-N 198.354 2.426 0 20 AEAD CCC(CC)[C@H](O)CN[C@H]1CC[C@@H]1C 308571101 BYZBCFIOENRXGM-ZMLRMANQSA-N 199.338 2.172 0 20 AEAD CC(C)CC[C@H](NC[C@@H](C)O)C1CC1 308597476 SMIONHJLSNNKGA-PWSUYJOCSA-N 199.338 2.172 0 20 AEAD CC[C@H](C)CNC[C@H]1CCO[C@@H](C)C1 308737987 MQOLBKNFBLOBSB-SRVKXCTJSA-N 199.338 2.437 0 20 AEAD C[C@H](O)CCN[C@H]1CCC12CCCC2 308746482 RJJYJFWJVXCHPA-QWRGUYRKSA-N 197.322 2.070 0 20 AEAD CCC[C@@H](N[C@H](C)CCO)C1CCC1 322494700 ZRZYHHUBJYHCCH-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD CC(C)[C@H](C)N(C)C(=O)C1CC=CC1 334592867 OJPVOBUQPSXCGO-JTQLQIEISA-N 195.306 2.456 0 20 AEAD Cc1cc(C(=O)N2CCC[C@H]2C)co1 334669721 RZCNCSDLKJSTAJ-MRVPVSSYSA-N 193.246 2.213 0 20 AEAD CC(C)=CCNC(=O)c1ccc(C)o1 336079107 NOYTVQASHWOBKV-UHFFFAOYSA-N 193.246 2.284 0 20 AEAD CCCCN(C)C(=O)CC(C)(F)F 379387965 IOHGLZMODYNKFP-UHFFFAOYSA-N 193.237 2.290 0 20 AEAD CC(C)=C(C)C(=O)NCCC1CC1 379405672 UQKJDUXPZQLYMA-UHFFFAOYSA-N 181.279 2.259 0 20 AEAD CC(C)(C)OC1CC(NC2CCC2)C1 379650524 FBEGVSHDYDLDMT-UHFFFAOYSA-N 197.322 2.475 0 20 AEAD CCC[C@@H](CNCC1(C)CC1)OC 386396676 GJKDLLSQXNHCBZ-JTQLQIEISA-N 185.311 2.191 0 20 AEAD C[C@@H]1CC[C@@]2(c3ccccn3)O[C@H]2C1 536961016 WRGQEJAHMILDNP-USWWRNFRSA-N 189.258 2.496 0 20 AEAD CC(C)(C)CNC(=O)N[C@H]1CC1(C)C 586853001 IVLRWEWTBWNFBV-QMMMGPOBSA-N 198.310 2.130 0 20 AEAD CC(C)c1csc([S@](C)=O)n1 593003929 ZTQAQYNPGSZYAN-NSHDSACASA-N 189.305 2.004 0 20 AEAD C[C@H](O)CCSCCCCF 596360153 HVIGIXTTXMUJTJ-QMMMGPOBSA-N 180.288 2.240 0 20 AEAD CCC(C)(C)N(C)Cc1nccn1C 603937849 IJEJIBMOMLEQTB-UHFFFAOYSA-N 195.310 2.041 0 20 AEAD C[C@H]1CCC[C@@H]1NC(=O)CCC1CC1 604230409 RGRPXMAJWLIBQT-ONGXEEELSA-N 195.306 2.481 0 20 AEAD CCN(Cc1ccncc1)CC1CC1 607753801 IWSXMFUVYRHURS-UHFFFAOYSA-N 190.290 2.314 0 20 AEAD CC[C@@H]1CCCC[C@H]1NCC(C)=O 639589851 QYIUFRFBJDKDKG-GHMZBOCLSA-N 183.295 2.134 0 20 AEAD CCCCN(C)c1nc(C)cc(C)n1 641847793 ZQXPAXVFRMBNQG-UHFFFAOYSA-N 193.294 2.330 0 20 AEAD C[C@@H](C1CC1)N(C(=O)C1CC1)C1CC1 642212202 IFENUMCRRZLFGI-QMMMGPOBSA-N 193.290 2.186 0 20 AEAD C[C@H](N)C[C@@H](C)NCC1=CCCCC1 643491478 GKWAYTNJCCNREP-WDEREUQCSA-N 196.338 2.202 0 20 AEAD CO[C@H](CN1[C@H](C)CC[C@H]1C)C1CC1 644925914 NWYPUSIIILHYGA-CKYFFXLPSA-N 197.322 2.284 0 20 AEAD CC/C=C/CCN(CC)CCC(=O)O 652464548 JGVUWAPSHCNBFW-AATRIKPKSA-N 199.294 2.139 0 20 AEAD CC(C)(C)c1ccn(CC(F)F)n1 664041946 PZEAWKOAPFZZHN-UHFFFAOYSA-N 188.221 2.446 0 20 AEAD CC(C)N(CCC(C)(C)O)C1CC1 674229835 NAGYFQRLSORWDV-UHFFFAOYSA-N 185.311 2.020 0 20 AEAD CC(C)C[C@H](C)NC(=O)N1CC[C@H]1C 677021791 PGGAUDWDTVXCIE-VHSXEESVSA-N 198.310 2.225 0 20 AEAD C[C@H](C1CC1)N(C)CC1=CCCOC1 678145183 XWZLWWIBUPGQGD-SNVBAGLBSA-N 195.306 2.063 0 20 AEAD CCN(C[C@H]1CC[C@@H](C)O1)C1CCC1 682760190 QSYGTNVGJQQADV-ZYHUDNBSSA-N 197.322 2.428 0 20 AEAD CC1(C)C[C@]1(C)NC[C@H]1CCC=CO1 702017263 PQPLSBPNPVESBW-PWSUYJOCSA-N 195.306 2.457 0 20 AEAD C=C/C=C/CCN[C@@H]1CSC[C@H]1C 713686793 SQMJXAXSKXQJLS-XKFHPXPTSA-N 197.347 2.460 0 20 AEAD Oc1nccc2cc(C3CC3)ncc12 725326911 FZTQDCRFNHPELU-UHFFFAOYSA-N 186.214 2.213 0 20 AEAD CCCN(C)C(=O)N(C)CCC1CC1 772858208 CRQCGHVKEOAUTA-UHFFFAOYSA-N 198.310 2.180 0 20 AEAD O=C(OCC1CC1)N1CCC[C@H]2C[C@H]21 796035440 YWZGJLABAZYEDG-VHSXEESVSA-N 195.262 2.017 0 20 AEAD CC[C@@H](NC[C@@H](C)N)C1CCCCC1 817970918 HLEXZFQJNAFKBB-ZYHUDNBSSA-N 198.354 2.282 0 20 AEAD CC[C@@H]1CC[C@H]1NC(CF)CF 824554656 JRQXLNAIILFQHI-VXNVDRBHSA-N 177.238 2.072 0 20 AEAD CC/C(C)=C\C(=O)OCc1ccno1 838038275 PDAWXEOPSITOAY-VURMDHGXSA-N 195.218 2.074 0 20 AEAD CCC(CC)OC(=O)c1conc1C 860432085 KZSCQIRPLLSIHV-UHFFFAOYSA-N 197.234 2.328 0 20 AEAD FC1CCN(C/C=C\Cl)CC1 880242018 UPWCYBATZRNNAD-RJRFIUFISA-N 177.650 2.173 0 20 AEAD FC1(F)CC(CN2C[C@H]3C=C[C@H]2C3)C1 880451653 QHPIRXSXKUKGOF-WPRPVWTQSA-N 199.244 2.292 0 20 AEAD CCO[C@H](C)S[C@@H](C)C(C)=O 901507925 WEVYQEXDIFBREO-YUMQZZPRSA-N 176.281 2.080 0 20 AEAD CCn1cc(-c2cccc(C)c2)nn1 906538279 GWFRBEFWGMPOTB-UHFFFAOYSA-N 187.246 2.273 0 20 AEAD CC(C)=CCNC(=O)/C=C(\C)Cl 907689524 VRIDWUWGFZQAOU-SOFGYWHQSA-N 187.670 2.211 0 20 AEAD CC[C@H](OC(=O)CC1CCC1)C(C)=O 1119090634 IIJRZJPESIFTRJ-JTQLQIEISA-N 198.262 2.087 0 20 AEAD CCCCN1CC2(CCC2)C1 1201704499 VVDAMXKBGNZJRV-UHFFFAOYSA-N 153.269 2.272 0 20 AEAD C/C=C/C=C/C(=O)NC/C=C\C1CC1 1324369600 FAEWENKWGGTKAH-WGIXWNTESA-N 191.274 2.201 0 20 AEAD Cc1cncc(-c2ccc[nH]2)c1 1898243742 OPWMFWIVCMGQII-UHFFFAOYSA-N 158.204 2.385 0 20 AEAD CC[C@H](C)NCCC(C)C 19881949 PFDTWLLGYOYGSV-VIFPVBQESA-N 143.274 2.421 0 20 AEAD CC(C)[C@H](CC(N)=O)c1ccccc1 41205319 WZCJNQSRCQLZLC-NSHDSACASA-N 191.274 2.302 0 20 AEAD CCN[C@H]1CCC[C@H]1CC 42297048 YERPPDNIFHTFFV-BDAKNGLRSA-N 141.258 2.175 0 20 AEAD C[C@H]1CN(CCC(C)(C)C)C[C@@H](C)N1 69627929 NXQSYWABXCROQJ-PHIMTYICSA-N 198.354 2.105 0 20 AEAD Cc1ccc(CNc2nncs2)o1 69966725 CJURKLCMDSJQRX-UHFFFAOYSA-N 195.247 2.052 0 20 AEAD CC[C@H](C)CNCc1c(C)noc1C 70797249 VRFZTMFFMFNGKY-QMMMGPOBSA-N 196.294 2.427 0 20 AEAD Cc1ccccc1N[C@@H]1CCOC1 70964217 GDKKTILCKZLALR-SNVBAGLBSA-N 177.247 2.196 0 20 AEAD c1cc(CC[C@H]2CCCCN2)ccn1 71500839 BDRUKTZDLAIQTD-GFCCVEGCSA-N 190.290 2.156 0 20 AEAD C[C@H](C(=O)O)[C@H]1CCc2ccccc21 74274412 JLPVOZGNXQAVSI-WCBMZHEXSA-N 190.242 2.437 0 20 AEAD C[C@H](O)CCN[C@@H](C)c1ccccc1 82992766 NAWUQUQOROMHIO-QWRGUYRKSA-N 193.290 2.108 0 20 AEAD COC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C 84837129 RCLIWTFFABLEHZ-NOOOWODRSA-N 199.338 2.436 0 20 AEAD C[C@H](NCCC(C)(C)O)c1ccco1 86235308 UQBIMXVYOMKRMW-VIFPVBQESA-N 197.278 2.091 0 20 AEAD Cc1cc(Cl)ccc1[C@H](N)[C@@H](C)O 95669692 TVIZKHYDNFUQMC-GMSGAONNSA-N 199.681 2.029 0 20 AEAD CC[C@H](N)c1ccc(O)c(C)c1 95685505 LMAOVIGTBVKDKO-VIFPVBQESA-N 165.236 2.110 0 20 AEAD CC(C)N[C@H](C)Cc1ccc(O)cc1 116320419 VARXJZOXOPEODA-SNVBAGLBSA-N 193.290 2.321 0 20 AEAD CC(C)N(CCO)C[C@H]1CC=CCC1 128044690 MBTPMHHFPCXNRE-LBPRGKRZSA-N 197.322 2.045 0 20 AEAD CCCCC(=O)N[C@H]1CC[C@@H](C)C1 129885456 GNSYCRYQGGZGDH-ZJUUUORDSA-N 183.295 2.481 0 20 AEAD CC[C@@H]1CCC[C@@H]1NCCCOC 131976888 AXDFWMIWNZKVML-MNOVXSKESA-N 185.311 2.191 0 20 AEAD COC(=O)[C@H](C)Cc1ccccc1C 139314543 QPCWSTCQALZZRQ-SNVBAGLBSA-N 192.258 2.347 0 20 AEAD Cc1cc2cc(CN)cc(F)c2[nH]1 144379274 SEEQYSZUEXHSCX-UHFFFAOYSA-N 178.210 2.074 0 20 AEAD C[C@@H](CO)S[C@H]1C=CCCC1 161936942 VXFPPFGOPUVSBK-IUCAKERBSA-N 172.293 2.209 0 20 AEAD C[C@@H](CO)S[C@@H]1C=CCCC1 161937227 VXFPPFGOPUVSBK-DTWKUNHWSA-N 172.293 2.209 0 20 AEAD C[C@H](CO)CS[C@H]1C=CCCC1 162001027 HTWQBRGRHDQXER-ZJUUUORDSA-N 186.320 2.457 0 20 AEAD CCNc1ccc(C(=O)OC)c(C)c1 165095073 FYNSDCAWDHFKHY-UHFFFAOYSA-N 193.246 2.213 0 20 AEAD CO[C@H](C)CN[C@@H](C)c1ccc(C)o1 167024715 FFDQZAVHHMEWPE-ZJUUUORDSA-N 197.278 2.274 0 20 AEAD CC[C@@H](CCO)N[C@@H](C(C)C)C1CC1 168126401 UEIIVONRNYKICR-RYUDHWBXSA-N 199.338 2.172 0 20 AEAD CC(C)COC(=O)CCOC(C)C 201480727 GWMKXBMAQASEID-UHFFFAOYSA-N 188.267 2.001 0 20 AEAD C[C@H](CC(=O)O)SC/C=C\Cl 217938452 UEBKVCHTUBBASO-VROIDLATSA-N 194.683 2.335 0 20 AEAD Nc1cccc2c1C(F)(F)CC2 219420565 OVHJEOJFGQXGLY-UHFFFAOYSA-N 169.174 2.307 0 20 AEAD CSCCCOC(=O)C(C)(C)C 220370660 SNANQAWKYWBFSN-UHFFFAOYSA-N 190.308 2.329 0 20 AEAD CC(C)CCNC[C@@H]1CCSC1 224281870 PKCNQYSLSQDKES-JTQLQIEISA-N 187.352 2.375 0 20 AEAD C/C=C\C(=O)N(CC1CC1)C(C)C 228172142 XXLGLNKZNTZMME-PLNGDYQASA-N 181.279 2.210 0 20 AEAD CC(C)C1CCN([C@H](C)[C@H](C)O)CC1 228609919 OFJQMCOJCSSJIB-MNOVXSKESA-N 199.338 2.124 0 20 AEAD Cc1c(N)cc(Cl)nc1Cl 231600455 ISUPRDUVXKWVFA-UHFFFAOYSA-N 177.034 2.279 0 20 AEAD O=C1CC[C@H]1c1cccc(F)c1 238536379 UOJORIPSPWHABU-VIFPVBQESA-N 164.179 2.272 0 20 AEAD C[C@@H]1CN(CCC(C)(C)C)CCO1 306165049 HWVKPPOLHKZZHL-SNVBAGLBSA-N 185.311 2.143 0 20 AEAD Cc1coc(C(=O)NC(C)C)c1C 306214434 XBXDPPNMSVGITK-UHFFFAOYSA-N 181.235 2.035 0 20 AEAD COC[C@H](C)SCCCF 306346889 RMYCFYKHPRPQHU-ZETCQYMHSA-N 166.261 2.114 0 20 AEAD C[C@H]1CC[C@@H](NCC(C)(F)F)C1 306759764 VRLHHBXIWGSWEB-JGVFFNPUSA-N 177.238 2.420 0 20 AEAD CC1(C)CNc2cc3c(cc21)OCC3 306848163 MIOOWMXFYKDDAF-UHFFFAOYSA-N 189.258 2.325 0 20 AEAD C[C@H]1CCSCCN1C[C@H]1C[C@H]1C 307002927 CTYPOGQEVXLGHG-OUAUKWLOSA-N 199.363 2.470 0 20 AEAD CC(C)c1occc1C(=O)N(C)C 307075970 KTWCWQATDJNWAB-UHFFFAOYSA-N 181.235 2.105 0 20 AEAD CC[C@H](F)CN1CC[C@@H](C)C1 307520038 XCFBIENLFJZKDB-BDAKNGLRSA-N 159.248 2.076 0 20 AEAD C[C@@H]1C[C@@H](C)CN(CC(F)F)C1 307756112 GTXUZGZEVLTONL-HTQZYQBOSA-N 177.238 2.229 0 20 AEAD CC(C)CCN1CC(C(F)F)C1 307970714 XDGVAORAAIHXIN-UHFFFAOYSA-N 177.238 2.229 0 20 AEAD C/C=C(\C)C(=O)NCC1CCCC1 308322932 ZSRJGMYMLCENDD-YCRREMRBSA-N 181.279 2.259 0 20 AEAD CC(C)=CCSCc1cnn(C)n1 308331793 LBNVCBINUNYHDW-UHFFFAOYSA-N 197.307 2.015 0 20 AEAD C[C@@H]1CN(CCCCCO)C(C)(C)C1 308419257 MUMXPQSUTPPJSU-NSHDSACASA-N 199.338 2.269 0 20 AEAD C[C@@H](CCC1CC1)N[C@@H]1CCCOC1 308559851 DNSVFFGKXPTTTA-CMPLNLGQSA-N 197.322 2.334 0 20 AEAD CC[C@@H]1CC[C@H]1NCc1cccnc1 308719895 CUVMKHYUPRVFSU-VXGBXAGGSA-N 190.290 2.360 0 20 AEAD F[C@H]1CCC[C@H](Nc2ncccn2)C1 335382177 ZJMRNGSLOYOHTO-IUCAKERBSA-N 195.241 2.169 0 20 AEAD CCC1(CC)CCCN(C(N)=O)CC1 336044214 VHNQRWYPHSRCMB-UHFFFAOYSA-N 198.310 2.357 0 20 AEAD CCC1(NC(=O)C2[C@@H]3CCC[C@@H]23)CC1 336305071 JBZUXRGWWSLODE-RKDXNWHRSA-N 193.290 2.091 0 20 AEAD CC(C)[C@H]1CCN1Cc1ccccn1 336331057 WDDKXTDAPYCZFM-GFCCVEGCSA-N 190.290 2.312 0 20 AEAD C[C@@H]1CN(Cc2ccn(C)c2)C[C@@H]1C 336358183 KAPAWEXARZEMGD-PHIMTYICSA-N 192.306 2.113 0 20 AEAD COCC[C@@H](C)N[C@H]1CCC[C@@H]2C[C@H]12 378912289 JSTSYXFMVURLFM-WYUUTHIRSA-N 197.322 2.190 0 20 AEAD CC(C)CCNC(=O)[C@H](F)C(C)C 379383441 GEUNFJHGCWINEI-SECBINFHSA-N 189.274 2.143 0 20 AEAD CC(C)(C)CCC(=O)NC1CCC1 379410739 GSPKDJNQVBLQOR-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CC(C)[C@@H](C)N[C@H](CO)C1CCCC1 379599393 JIURLTJBSLMXEE-ZYHUDNBSSA-N 199.338 2.172 0 20 AEAD CC/C=C/CNCC1(SC)CC1 385146470 JHUZYLWBSDIDAQ-SNAWJCMRSA-N 185.336 2.438 0 20 AEAD CC/C=C/CNC[C@H](CCC)OC 386128737 OGEWRAFRGBGEBO-MLRMMBSGSA-N 185.311 2.357 0 20 AEAD CCCN(C(=O)CC1CC1)C1CC1 388625942 GYFCZAWSNDTJJQ-UHFFFAOYSA-N 181.279 2.188 0 20 AEAD C/C=C/C=C\C(=O)NCCC(C)C 388737900 XBWYXZTWJNURDA-DEQVHDEQSA-N 181.279 2.281 0 20 AEAD CC(C)=CCN[C@H](C)COC(C)C 393725015 WVLRYEJWTSTKKZ-LLVKDONJSA-N 185.311 2.356 0 20 AEAD C[C@@H]1CCCC[C@H]1CN(C)CCCN 394827339 LFWJNICEZYTOGH-NEPJUHHUSA-N 198.354 2.093 0 20 AEAD CC/C=C/CN[C@H](C)[C@H]1CCCO1 395357071 KRUKQUKKYNGHMS-XKFHPXPTSA-N 183.295 2.110 0 20 AEAD 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FC1(F)CCN([C@H]2C=CCCC2)C1 306306732 FIIJXNRANUBFKA-VIFPVBQESA-N 187.233 2.436 0 20 AEAD Cc1cncc(N[C@@H]2CCC[C@H]2C)n1 306548535 GPBNGLVOQHBBPC-PSASIEDQSA-N 191.278 2.386 0 20 AEAD CC(C)CN(C)c1ncccc1F 306821446 KMHJGSTXXHQZET-UHFFFAOYSA-N 182.242 2.313 0 20 AEAD CC(C)(C)Nc1cnc(Cl)cn1 306945285 ZXDNCWRCVCJSAL-UHFFFAOYSA-N 185.658 2.340 0 20 AEAD CC[C@H](C)OC(=O)[C@@H](F)C(C)C 307958336 TUFFVFTUBOJLMZ-YUMQZZPRSA-N 176.231 2.322 0 20 AEAD CC[C@H](C)NC[C@](C)(OC)C1CC1 308209159 VPDAFNMPHFJXGO-ONGXEEELSA-N 185.311 2.190 0 20 AEAD CC(C)OCc1nnc(C(C)C)o1 308274163 UIEUTBSKSHYFCY-UHFFFAOYSA-N 184.239 2.118 0 20 AEAD CO[C@H](C)[C@H](C)NCCC=C(C)C 308424018 QBZCCHQJSWSRMJ-WDEREUQCSA-N 185.311 2.356 0 20 AEAD CC(C)C(=O)Nc1cccc(O)c1F 334344022 RXTAZFUVXHTGMK-UHFFFAOYSA-N 197.209 2.126 0 20 AEAD CC(C)CCN1C[C@@H]2C[C@H]1CS2 335154662 JDAFGKYWZMDYER-UWVGGRQHSA-N 185.336 2.222 0 20 AEAD CCC(=O)N1[C@H](C)CCC1(C)C 335459601 JCOFBINCYCPMRI-MRVPVSSYSA-N 169.268 2.186 0 20 AEAD CC[C@@H]1CN(C2CCCC2)CCO1 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VZGPMGDRJGPXBC-SECBINFHSA-N 171.284 2.195 0 20 AEAD CCCN1CC[C@H](O)[C@@H]2CCCC[C@H]21 640094659 IBUFVGAMBDHXME-UTUOFQBUSA-N 197.322 2.022 0 20 AEAD C/C=C\c1cn(C[C@H](C)CC)nn1 640943032 ZOVFSQKAUDUMPF-XTULLQBASA-N 179.267 2.357 0 20 AEAD C[C@@H]1CN(C(=O)[C@]23CCC[C@@H]2C3)[C@@H]1C 643352980 FUWDBMZUICRQQJ-BFLSOPEQSA-N 193.290 2.043 0 20 AEAD C[C@@H](CF)NC(=O)CC1=CCCCC1 646422517 GNVMVWPFFDLUBX-VIFPVBQESA-N 199.269 2.351 0 20 AEAD F[C@@H]1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)C1 648721374 PBJBSZWLJAQVBH-FIQHERPVSA-N 195.281 2.242 0 20 AEAD C[C@H]1CC[C@H](C(=O)NCC2CC2)CC1 649637807 VDODVKCGDKYSON-HOMQSWHASA-N 195.306 2.339 0 20 AEAD CCOC1CN(CCCC(C)C)C1 656657903 JKVIBOPFEOUOPJ-UHFFFAOYSA-N 185.311 2.143 0 20 AEAD CC[C@@H]1OCC[C@H]1N[C@H]1CCC[C@H]1C 657244988 PAKFTVXFJGFESY-KXNHARMFSA-N 197.322 2.332 0 20 AEAD CCN(CCC=C(C)C)[C@@H](C)C(=O)O 662213766 AAVSDPQLJJUDAU-JTQLQIEISA-N 199.294 2.138 0 20 AEAD CCCN(CCC)c1ccc(C)nn1 663383154 SBPWDMZBPVZSTA-UHFFFAOYSA-N 193.294 2.411 0 20 AEAD CCC(=O)NC[C@@H]1CCC[C@H]1C1CC1 665638173 JGQGXEGPMWQFFH-QWRGUYRKSA-N 195.306 2.339 0 20 AEAD CCCC[C@@H](CC)NC1CCNCC1 666736533 JQOWMYRYUSPXDH-LLVKDONJSA-N 198.354 2.297 0 20 AEAD C[C@H]1CC(C)(C)CC[C@@H]1N[C@H](C)CN 666867840 NQAJAUJZOPODTM-AXFHLTTASA-N 198.354 2.138 0 20 AEAD CC[C@](C)(CO)N[C@H](C)C1CCCC1 679128733 XTKFLLHLWICQOU-ZYHUDNBSSA-N 199.338 2.316 0 20 AEAD CC[C@]1(CO)CCCN1CCC1CC1 682222078 ATAPXDFUYSSOOI-GFCCVEGCSA-N 197.322 2.023 0 20 AEAD CC(C)CC[C@H](O)CN1CC(C)(C)C1 684606227 JDCKNGLOYFETOU-NSHDSACASA-N 199.338 2.125 0 20 AEAD CCCONC(=O)[C@@H]1CCC[C@H](C)C1 686770047 AYOOXROMQQCILY-VHSXEESVSA-N 199.294 2.271 0 20 AEAD CCCCN[C@@H](C)Cc1ccccn1 694080872 JNXZLJVZJFLZOF-NSHDSACASA-N 192.306 2.402 0 20 AEAD CCC(CC)N[C@H]1C=CCC1 698267421 NRMCMQMHUBSFTK-JTQLQIEISA-N 153.269 2.483 0 20 AEAD C1=C[C@H](CN[C@H]2CCCOCC2)CC1 711783557 CVQLPKBBNJXZRI-RYUDHWBXSA-N 195.306 2.111 0 20 AEAD C=C/C=C\CCS[C@@H](C)CO 713749023 MUWQUSUGJLKLFT-WBSSQXGSSA-N 172.293 2.233 0 20 AEAD Oc1ccc(OCC2CCCC2)nc1 725326818 YQODKJWQOITOCJ-UHFFFAOYSA-N 193.246 2.356 0 20 AEAD C[C@@]1(COC(=O)c2ccco2)C[C@@H]1F 822080473 UIDWBRBRUQROBA-WPRPVWTQSA-N 198.193 2.185 0 20 AEAD CCCNc1nnc([C@@H](C)CC)o1 849159043 JESAYYLSAGLZLQ-ZETCQYMHSA-N 183.255 2.405 0 20 AEAD O=C(NC/C=C\Cl)[C@@H]1CC=CCC1 891218920 YXUXHRVEXKFNOJ-WQAKUFEDSA-N 199.681 2.211 0 20 AEAD Cc1ncoc1CN1CCCCCC1 893870970 IPTKRGQDYDUYBV-UHFFFAOYSA-N 194.278 2.359 0 20 AEAD CCC[C@H](C)N1CC[C@@](O)(C2CC2)C1 1321373903 WMUAIWONRQAPIT-JQWIXIFHSA-N 197.322 2.022 0 20 AEAD C=CC(=O)N1CCC(CC(C)C)CC1 1336676904 SNJIGFYTRKIRPR-UHFFFAOYSA-N 195.306 2.457 0 20 AEAD CCC[C@@H](C)NC(=O)[C@H](F)CC 1337023535 AEMMBDRVQNQTRP-HTQZYQBOSA-N 175.247 2.039 0 20 AEAD CCN(Cc1cnoc1C)CC(C)C 1338591573 BXSZMZZQKAPXOM-UHFFFAOYSA-N 196.294 2.461 0 20 AEAD CC[C@@H]1CCN(C[C@@](C)(O)CC)[C@@H]1C 1645351627 LNKCWNPDNGSKHM-UTUOFQBUSA-N 199.338 2.268 0 20 AEAD CC1(C)NCCO[C@H]1c1ccccc1 3640746 GAWYXLVYEOEEEN-NSHDSACASA-N 191.274 2.126 0 20 AEAD 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2.125 0 20 AEAD CC(C)CCN[C@@H]1CCNCC1(C)C 300848689 NISNUYGXXMGKAH-LLVKDONJSA-N 198.354 2.010 0 20 AEAD Cc1csc(C(=O)NC2CCC2)c1 306451337 LPMHEBFRICYHHN-UHFFFAOYSA-N 195.287 2.339 0 20 AEAD CCC1(NC(=O)C(C)C)CCCC1 307255825 ZZEZFBOPGPOCDR-UHFFFAOYSA-N 183.295 2.481 0 20 AEAD CCN(CC)C[C@H]1CCSC1 307672410 WOPRGBNHOTYPTO-SECBINFHSA-N 173.325 2.081 0 20 AEAD CC(C)(C)Cc1csc(C(=O)O)n1 307714796 DXUMCIPGIFDLAW-UHFFFAOYSA-N 199.275 2.430 0 20 AEAD CC(C)C[C@@H]1CCN(CC[C@@H](C)O)C1 307849223 WRKXZUMBVPXCQP-NEPJUHHUSA-N 199.338 2.125 0 20 AEAD CC(=O)OCCCSC(C)C 307877241 OOSDWTWXOHPDIC-UHFFFAOYSA-N 176.281 2.081 0 20 AEAD CC(C)SCCNC[C@@H]1C[C@@H]1C 308012418 PUULVCMMMZIKBX-UWVGGRQHSA-N 187.352 2.374 0 20 AEAD CC(C)CCCNC(=O)C(C)(C)F 308212623 LXULVNGDLNRPDI-UHFFFAOYSA-N 189.274 2.287 0 20 AEAD CCSCCN1C[C@H]2[C@H](C1)C2(C)C 308257352 KJGDWGGLALJKKC-UWVGGRQHSA-N 199.363 2.327 0 20 AEAD COCCSCCc1cccnc1 308364340 NMGQUTGRNIZSPU-UHFFFAOYSA-N 197.303 2.004 0 20 AEAD CCOC[C@H](N[C@H]1CC[C@H]1C)C(C)C 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193.221 2.292 0 20 AEAD CCCC(CCC)C(=O)N1CCC1 5509710 VOCVVBAVUYEGDL-UHFFFAOYSA-N 183.295 2.435 0 20 AEAD CC[C@H](NCCCO)c1cccs1 20188574 NZVUIWUILROCFA-VIFPVBQESA-N 199.319 2.171 0 20 AEAD Cc1ccc(C[C@H](N)C2CC2)cc1 32006858 RTZUWJSINYIGON-LBPRGKRZSA-N 175.275 2.275 0 20 AEAD CCOc1ccc2ncc(N)cc2c1 33464501 KAOIKWXFCFJXCF-UHFFFAOYSA-N 188.230 2.216 0 20 AEAD Cn1cc(NC2CCCCC2)cn1 35737608 RASYAZPBVQYIJJ-UHFFFAOYSA-N 179.267 2.165 0 20 AEAD CC[C@H](C)S[C@H](C)CC(=O)O 35741056 DNZKTNGNXGVURI-NKWVEPMBSA-N 176.281 2.381 0 20 AEAD COC(=O)N(C)c1ccc(C)cc1 36471762 YZRYMDAKNSTDTI-UHFFFAOYSA-N 179.219 2.198 0 20 AEAD C[C@H](N)C(C)(C)c1ccc(F)cc1 37024141 UZRBNCULZJMGLZ-QMMMGPOBSA-N 181.254 2.451 0 20 AEAD CCCC[C@@H](C)NCCCN(C)C 37213659 VJESRMSOFJINOO-LLVKDONJSA-N 186.343 2.106 0 20 AEAD CC(C)CCCNC[C@@H]1CCCO1 37927508 XFXXHVIZCJNXQD-NSHDSACASA-N 185.311 2.191 0 20 AEAD C[C@H](O)CN1CCC[C@@H]1C1CCCC1 45086100 KGHYFKDYEWQSSP-CMPLNLGQSA-N 197.322 2.022 0 20 AEAD Oc1cccc(C(F)F)c1F 47203409 DDLGUENLHHMXQO-UHFFFAOYSA-N 162.110 2.469 0 20 AEAD in-vitro C[C@H](N)CN1CCC(C(C)(C)C)CC1 50346320 GBQVZUHKHJONOY-JTQLQIEISA-N 198.354 2.092 0 20 AEAD COC(=O)[C@@H](C)c1cccc(F)c1 52248309 SLPXNGBCAZZLGW-ZETCQYMHSA-N 182.194 2.102 0 20 AEAD CC[C@@H](COC)N[C@H](CC)C1CC1 83056807 UDXBJDTZLRDGLL-WDEREUQCSA-N 185.311 2.190 0 20 AEAD C[C@@H]1CNCC[C@@H]1c1ccsc1 86192448 SSJDKWOGLCNCDD-SCZZXKLOSA-N 181.304 2.461 0 20 AEAD Cc1nc(CNC2CCC2)sc1C 87375908 GGLJXYRIGSFTFP-UHFFFAOYSA-N 196.319 2.402 0 20 AEAD Oc1cccc(S[C@H]2CCOC2)c1 126969798 CNOQAXNAKRFDMQ-JTQLQIEISA-N 196.271 2.273 0 20 AEAD CSC(C)(C)CNCC1CC1 128199639 IBWKPXLOTSGJAL-UHFFFAOYSA-N 173.325 2.128 0 20 AEAD CC[C@H](C)CNc1cc(C)n(C)n1 129120862 FGHVXOJZEUEFFS-QMMMGPOBSA-N 181.283 2.187 0 20 AEAD CCN(c1nc(C)cc(C)n1)C(C)C 202578421 AZDIABMHEHWRQC-UHFFFAOYSA-N 193.294 2.328 0 20 AEAD C/C=C\C(=O)N(CC)CCCC 211366922 TZUPVHCXUYIRGT-YVMONPNESA-N 169.268 2.211 0 20 AEAD CC[C@@]1(C)NCCc2occc21 211972749 IMLRJGSDRQLGGI-SNVBAGLBSA-N 165.236 2.051 0 20 AEAD CCCN(C)Cc1c(C)noc1C 219939005 SJDDJUWOHDVSEC-UHFFFAOYSA-N 182.267 2.133 0 20 AEAD COC[C@@H](C)NC[C@@H]1CCCC[C@@H]1C 226703840 CMDKLOGBLOCYGP-TUAOUCFPSA-N 199.338 2.437 0 20 AEAD CSCCCS[C@@H](C)[C@@H](C)O 231170244 OJJCKAIKWIDFDS-SFYZADRCSA-N 194.365 2.242 0 20 AEAD CCCC[C@H](NCCC1CC1)C(=O)O 232999540 RZROGQOZDKNMSM-JTQLQIEISA-N 199.294 2.020 0 20 AEAD C[C@@H]1CC[C@H](NCCCCC(=O)O)C1 235278226 NVQGEUJVENNZSU-ZJUUUORDSA-N 199.294 2.020 0 20 AEAD CCC(=O)Nc1nc(C(C)C)ns1 238216118 UVHUYZFPWWWPMM-UHFFFAOYSA-N 199.279 2.010 0 20 AEAD C/C(=C\C(=O)NC1CCCC1)C1CC1 253463376 OEQUAJYRJWMRAQ-CMDGGOBGSA-N 193.290 2.402 0 20 AEAD CN(CC1CCC(=O)CC1)C(C)(C)C 258874628 IEXZSOQGXPYNFP-UHFFFAOYSA-N 197.322 2.476 0 20 AEAD COc1ncccc1NC[C@H]1C[C@H]1C 306401422 PTWGODVYNKCHHI-RKDXNWHRSA-N 192.262 2.158 0 20 AEAD C1=CCN(C[C@H]2CCSC2)CC1 307349928 PCNFWDARGHEUON-SNVBAGLBSA-N 183.320 2.001 0 20 AEAD C[C@@H]1CC[C@@H](C)N1C(=O)C(C)(F)F 307584359 ICRJJFAXPFVDKA-RNFRBKRXSA-N 191.221 2.041 0 20 AEAD CCC(CC)OC(=O)[C@H]1C[C@@H]1C 307944960 HQKYLCPOERPPBT-CBAPKCEASA-N 170.252 2.374 0 20 AEAD CC/C=C(\C)C(=O)N[C@H](C)CC 307992908 UVLSQQJVPCGPHM-FCZSHJHJSA-N 169.268 2.257 0 20 AEAD C/C=C(/CC)C(=O)N[C@@H](C)C1CC1 308204399 XMMWLYVSQRJYOL-ZKUGPGMGSA-N 181.279 2.257 0 20 AEAD CCCCCN1CCCOC[C@H]1C 308245892 VQLJRWOJMMINIO-LLVKDONJSA-N 185.311 2.287 0 20 AEAD CCN(CC1CC1)C[C@@H]1CCSC1 308285267 BPUQICNJSLUGNU-NSHDSACASA-N 199.363 2.471 0 20 AEAD CCC/C=C\C(=O)NC1CC(C)C1 308289770 GKXKHVFBYMGRPF-WAYWQWQTSA-N 181.279 2.257 0 20 AEAD CC[C@@H](C)[C@H](NC(C)=O)C(F)(F)F 308309824 QPRVNMBROXBCNS-VDTYLAMSSA-N 197.200 2.100 0 20 AEAD CCCC[C@@H](C)NCc1cn(C)cn1 308561088 FIQPSVHHILMWLD-SNVBAGLBSA-N 195.310 2.088 0 20 AEAD CC[C@@H](NC[C@@H](CO)C(C)C)C1CC1 308613529 RGEZGTZHKIGAKT-NWDGAFQWSA-N 199.338 2.029 0 20 AEAD CC[C@H](C)CNC[C@@H]1CCO[C@@H](C)C1 308737985 MQOLBKNFBLOBSB-SDDRHHMPSA-N 199.338 2.437 0 20 AEAD CCCN1CC[C@H](N[C@@H](C)C(C)C)C1 328320519 DSGCHECQFHDFQU-RYUDHWBXSA-N 198.354 2.105 0 20 AEAD Fc1ccc(N2C[C@H]3CC[C@H]2C3)nc1 334944762 XNHSVRFKPJMZLN-WPRPVWTQSA-N 192.237 2.209 0 20 AEAD CCC1(N[C@H]2CCO[C@H](C)C2)CC1 335626141 OPTHNLBEAFQBLI-ZJUUUORDSA-N 183.295 2.086 0 20 AEAD CS[C@@H](C)c1nnc(C)s1 335628430 OQJSIQICHLWQKB-BYPYZUCNSA-N 174.294 2.271 0 20 AEAD Cc1ccncc1NC(=O)CC1CC1 336140695 KOQAPLAJEBZFQY-UHFFFAOYSA-N 190.246 2.129 0 20 AEAD C[C@@H]1CN(CC2CCOCC2)C[C@@H]1C 336486083 KUIRUBFMOXXSDI-PHIMTYICSA-N 197.322 2.001 0 20 AEAD CCN(CC)C[C@H](C)N[C@@H]1CC[C@H]1C 379521483 CWTFCNUAURDUMO-GRYCIOLGSA-N 198.354 2.105 0 20 AEAD CC[C@@]1(C)CCN(CCC[C@H](C)O)C1 379579376 WNDDCMCORCOTSF-RYUDHWBXSA-N 199.338 2.269 0 20 AEAD CC/C=C/CN[C@@H]1CCN(C)[C@H](C)C1 384750163 NZTMHAUZBNCYPY-IEVRTODYSA-N 196.338 2.025 0 20 AEAD Cc1n[nH]c(=NCCCC(C)(C)C)o1 393668679 PVEXZKXHJZSCGF-UHFFFAOYSA-N 197.282 2.038 0 20 AEAD Cn1cc(-c2ccc(F)c(F)c2)cn1 536950212 MFOWEDXLJNMRSL-UHFFFAOYSA-N 194.184 2.365 0 20 AEAD CCN(CC(C)C)C(=O)c1cc[nH]c1 597722620 TYHWEWPLMUVSTG-UHFFFAOYSA-N 194.278 2.133 0 20 AEAD CC(C)(C)CC(=O)N1CC[C@@H]2C[C@H]2C1 619344732 BZSDOERFQOITKF-ZJUUUORDSA-N 195.306 2.291 0 20 AEAD C1=CCC(CN[C@@H]2CCSC2)C1 624075770 YQWWQVPCZCBXEL-SNVBAGLBSA-N 183.320 2.048 0 20 AEAD CC[C@@H](C)N1N=C(C)C[C@H](C)C1=O 634623921 SLMILXUYNFFVPZ-IONNQARKSA-N 182.267 2.029 0 20 AEAD CC(C)CCCN1C[C@H]2COC[C@H]2C1 634745393 GHHHWHFTTBMKEC-TXEJJXNPSA-N 197.322 2.001 0 20 AEAD CC[C@](C)(CN(C)CC(C)C)OC 637894321 RJNQORYJKRJFOS-LLVKDONJSA-N 187.327 2.389 0 20 AEAD C[C@@H]1CN(Cc2ccns2)C[C@@H]1C 638093399 KPPTVKDMXYWTSJ-DTORHVGOSA-N 196.319 2.231 0 20 AEAD CCNC(=O)Nc1ccsc1C 640473862 RNJSAQQIWPJCGU-UHFFFAOYSA-N 184.264 2.198 0 20 AEAD CC[C@@H](CN(C)CCC(C)C)OC 642680277 PRSLBFXFCGBOJI-NSHDSACASA-N 187.327 2.389 0 20 AEAD CCNCCCN[C@@H]1CCC[C@H](C)C1 643498903 UVIWCAUXOQGFAT-NWDGAFQWSA-N 198.354 2.154 0 20 AEAD CCC[C@@H](C)NCc1cnc(C)n1C 657285073 VXPOZYBAKKFGNC-SECBINFHSA-N 195.310 2.007 0 20 AEAD CC1(CNCCCC2CCC2)COC1 657666933 OBTIEXHCCDBBRK-UHFFFAOYSA-N 197.322 2.193 0 20 AEAD C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1F 665653154 YBFMIBHZBXEGBH-SGIHWFKDSA-N 199.269 2.039 0 20 AEAD Cc1ccnc(N2CCC[C@@H]3C[C@H]32)c1 672323168 YYPNTQMDZBXHFW-GHMZBOCLSA-N 188.274 2.379 0 20 AEAD CCCC1(CNC(=O)C2CCC2)CC1 675348612 UACWHDUIZNMLND-UHFFFAOYSA-N 195.306 2.483 0 20 AEAD COCC1CCN(C[C@@H]2C[C@@H]2C)CC1 682672959 KDCGPWXWYGIQCF-JQWIXIFHSA-N 197.322 2.001 0 20 AEAD CC(C)[C@@H]1CN(CC2(C)CC2)CCO1 683835423 SPAKWGSIEGLPAZ-NSHDSACASA-N 197.322 2.143 0 20 AEAD FCCOc1cnc(Cl)c(F)c1 725338753 PNWRHAGCJFPWMP-UHFFFAOYSA-N 193.580 2.222 0 20 AEAD CC1(C)CC[C@H]1NC(=O)CCC1CC1 805322479 ZONZLOPDPCSCHG-SNVBAGLBSA-N 195.306 2.481 0 20 AEAD C=C=CCNC(=O)C[C@@H]1CCC[C@H]1C 848115289 ZJATVNSUPDAPOG-MNOVXSKESA-N 193.290 2.270 0 20 AEAD CC(C)C(=N)NOCCC1CCC1 853684409 APOQBXBDGOXBOH-UHFFFAOYSA-N 184.283 2.331 0 20 AEAD CC(C)=CC(=O)OCc1cnsc1 861201827 CDYHQUNWIBGSAY-UHFFFAOYSA-N 197.259 2.153 0 20 AEAD C[C@@H]1C[C@@H]1C(=O)OCCCC1CC1 869318261 NBDRJSYDCHASKE-SCZZXKLOSA-N 182.263 2.376 0 20 AEAD CC1=C(C(=O)NC/C=C/Cl)CCC1 891206078 LMYWTGGHCVEIMM-ZZXKWVIFSA-N 199.681 2.356 0 20 AEAD C/C=C/C=C\C(=O)NC[C@@H](C)C1CC1 920033327 JMOWSOOPLODVHM-LLUULLFCSA-N 193.290 2.281 0 20 AEAD C1CCC2(C1)CC(N[C@@H]1CCOC1)C2 925618162 UBRRPEUKMWLNFR-SNVBAGLBSA-N 195.306 2.088 0 20 AEAD CC1(CC(=O)NC/C=C/C2CC2)CC1 1324601149 NCWYGVUUFLNXMH-NSCUHMNNSA-N 193.290 2.259 0 20 AEAD C[C@H]1CCCN(C[C@@H]2CC[C@@H](C)O2)C1 1645441651 DBXWQVLFYNHLSR-TUAOUCFPSA-N 197.322 2.286 0 20 AEAD N[C@@H](Cc1ccncc1)c1ccccc1 38916818 NGMVNSGOEZINAJ-ZDUSSCGKSA-N 198.269 2.324 0 20 AEAD C[C@@H](NC(N)=O)c1ccccc1Cl 42227888 TUDMIGCANKOUMX-ZCFIWIBFSA-N 198.653 2.069 0 20 AEAD CCCCCCC(=O)Nc1cc[nH]n1 42414267 KBCWUGZKPKCDCA-UHFFFAOYSA-N 195.266 2.319 0 20 AEAD Cc1ccc(N[C@H](C)C(=O)O)c(F)c1 43626723 CLSNKNHCJYKLPO-SSDOTTSWSA-N 197.209 2.019 0 20 AEAD COCCCCNc1cc(C)ccn1 44659312 MKTRNRYQBPKKSZ-UHFFFAOYSA-N 194.278 2.229 0 20 AEAD C[C@H](O)c1cccc2cccnc12 58836600 CWYMERWLAWNIBF-QMMMGPOBSA-N 173.215 2.288 0 20 AEAD Cc1ccc(CCNCC(C)C)cn1 62950601 VMZRXTPGZDTPAD-UHFFFAOYSA-N 192.306 2.178 0 20 AEAD CC[C@H](C)[C@H](C)NC(=O)c1ccco1 70228237 SZSNJELUKUZGGO-IUCAKERBSA-N 195.262 2.444 0 20 AEAD CCCC(=O)N(C)C(C)(C)CC 78717739 PVYXGUWZBDQSRG-UHFFFAOYSA-N 171.284 2.434 0 20 AEAD COc1ccccc1CC[C@H](C)CO 82764629 VNBAGQZQNDLZLL-JTQLQIEISA-N 194.274 2.256 0 20 AEAD C[C@@H](N)[C@@H]1CCc2ccccc21 83802265 DLJPRXRMICOAPF-SCZZXKLOSA-N 161.248 2.064 0 20 AEAD C1=CC[C@H](N[C@@H]2CCCOCC2)CC1 84067046 LKOAOSJXFFCIGJ-NWDGAFQWSA-N 195.306 2.254 0 20 AEAD CCCc1ccn(CC(C)C)n1 85020192 YRFNDQZGJBZELO-UHFFFAOYSA-N 166.268 2.492 0 20 AEAD CNCCc1cc(Cl)cs1 86334748 REEPSJVKORPMJY-UHFFFAOYSA-N 175.684 2.163 0 20 AEAD C[C@H](C[C@@H]1CCCN1)NC1CCCC1 86494775 LRVDUNHHZZTETR-PWSUYJOCSA-N 196.338 2.049 0 20 AEAD Cc1ccc(-c2cn(C)nn2)cc1C 92876571 CWTBKPSGCLHUPR-UHFFFAOYSA-N 187.246 2.099 0 20 AEAD CC/C=C(\C)C(=O)Nc1cccnc1 102941944 WUEBNQAAHRDGRN-WEVVVXLNSA-N 190.246 2.376 0 20 AEAD CC(=O)CN1CCCCC[C@H]1C(C)C 108308727 ZRTUCEGZHDTWFX-LBPRGKRZSA-N 197.322 2.476 0 20 AEAD C[C@@H]1OCC[C@H]1N[C@@H]1CCC(C)(C)C1 122305753 XSSRAOCQQQADAS-HBNTYKKESA-N 197.322 2.332 0 20 AEAD CCC(=O)[C@H]1CCCC(C)(C)C1=O 124578047 UVANHVNLMASFOM-MRVPVSSYSA-N 182.263 2.361 0 20 AEAD CC(C)CNC[C@]1(C)CCCC[C@H]1O 127725969 QLGROZIUQKJWCH-NEPJUHHUSA-N 199.338 2.173 0 20 AEAD Cc1cncc(NCC(C)C)c1 127770271 IODARLGBZDNFQF-UHFFFAOYSA-N 164.252 2.458 0 20 AEAD CCC[C@@](C)(O)CNC[C@H](C)CC 128931080 ICUOQOIJWDZFFT-GHMZBOCLSA-N 187.327 2.173 0 20 AEAD Fc1ccc(N[C@@H]2CCSC2)cn1 134880134 ANFBLQQGAGXNJV-MRVPVSSYSA-N 198.266 2.138 0 20 AEAD C[C@](O)(c1ccc[nH]1)c1cccs1 141442285 OPJPREMPGKAPMI-JTQLQIEISA-N 193.271 2.332 0 20 AEAD CC[C@H](O)CCN[C@@H](CC)C(C)C 157383060 FYRUPMAKSPEHAY-QWRGUYRKSA-N 187.327 2.172 0 20 AEAD CCC[C@@H](O)CN[C@@H](C)C(C)(C)C 167557924 VDHXTCODZJVOKF-VHSXEESVSA-N 187.327 2.172 0 20 AEAD CC(C)c1cnn(CC2(C)COC2)c1 168746739 OTJLIWAQDWCGSY-UHFFFAOYSA-N 194.278 2.043 0 20 AEAD C1=C[C@H](NCC[C@@H]2CCOC2)CCC1 220801541 UPCFHMCKTHMPGO-NEPJUHHUSA-N 195.306 2.111 0 20 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20 AEAD C[C@H](O)CCN[C@@H]1CC[C@@H](C)C[C@H]1C 252209178 XSVSYOKRJGJBEF-WISYIIOYSA-N 199.338 2.172 0 20 AEAD CC[C@@H]1CCC[C@@H]1N[C@H](C)CCCO 252713064 OFNDUHNEWQIUNQ-UTUOFQBUSA-N 199.338 2.316 0 20 AEAD C[C@@H]1OCC[C@@H]1N[C@H]1CC[C@H](C)CC1 252730985 NUHUHTCNGSNBQI-BJDJZHNGSA-N 197.322 2.332 0 20 AEAD CCC(CC)CN1CC[C@H](C)[C@H]1CO 299918395 ZSCLBMFKUFSBND-CMPLNLGQSA-N 199.338 2.125 0 20 AEAD CC(C)[C@@H]1CCCC[C@H]1N[C@H](C)CN 300022847 BSMYSXZKSYJNER-GRYCIOLGSA-N 198.354 2.138 0 20 AEAD C[C@H](N[C@@H]1C=CCCC1)[C@H]1CCCO1 300332791 WFRUQXSLEJYLPF-QJPTWQEYSA-N 195.306 2.252 0 20 AEAD CC(C)=CC(=O)NCc1cccs1 300774227 RQMQRWHWOPNTMI-UHFFFAOYSA-N 195.287 2.331 0 20 AEAD CCC[C@H](C)N1CC[C@H](O)C(C)(C)C1 306195625 IQNVKWIMNCIHPT-QWRGUYRKSA-N 199.338 2.268 0 20 AEAD C[C@H]1CCC[C@@H](N(C)CCF)C1 306300601 ZAWPHSWRXUYOFD-VHSXEESVSA-N 173.275 2.466 0 20 AEAD CCCC(=O)N1CCC2(CCC2)C1 306434392 ZVCLHYVUFQIGDO-UHFFFAOYSA-N 181.279 2.189 0 20 AEAD CC1(Cn2ccc(N)n2)CCCC1 306457635 BHRSNINMZCYFAW-UHFFFAOYSA-N 179.267 2.046 0 20 AEAD CC(C)c1noc(NC2CCC2)n1 306504973 RXTHAIJDGXDRPV-UHFFFAOYSA-N 181.239 2.157 0 20 AEAD CC[C@H](C)C(=O)N1CCC=C(C)C1 306571980 OSVZAOINUNAFHJ-JTQLQIEISA-N 181.279 2.211 0 20 AEAD CCN(C)C(=O)c1ccccc1Cl 306640945 LEOBAPIYJIIQJH-UHFFFAOYSA-N 197.665 2.432 0 20 AEAD C[C@H]1CC[C@H](NCC(C)(F)F)C1 306759766 VRLHHBXIWGSWEB-YUMQZZPRSA-N 177.238 2.420 0 20 AEAD CNC(=O)c1cc(C)c(C)cc1Cl 307085314 MGAHYPYJUHNMSD-UHFFFAOYSA-N 197.665 2.316 0 20 AEAD NC[C@H]1CC[C@H](NC2CCCCC2)C1 307183011 WYEQXDFFIUAIRX-JQWIXIFHSA-N 196.338 2.036 0 20 AEAD C[C@H]1C[C@H](O)CN1CCC1CCCC1 307219784 HJMZKWRSRPBVLT-JQWIXIFHSA-N 197.322 2.022 0 20 AEAD CCOc1c(C)ccnc1Cl 307344584 JVUMBDAPDZMJHZ-UHFFFAOYSA-N 171.627 2.442 0 20 AEAD CC[C@@H]1CCN(C(=O)C2(C)CC2)C1 307476336 UVRNHFUQMHZEIW-SECBINFHSA-N 181.279 2.045 0 20 AEAD C/C=C/C(=O)N1CC[C@@H](CC(C)C)C1 307849546 YEHBCIKXVRGISZ-ZWNMCFTASA-N 195.306 2.457 0 20 AEAD CCCC1(C(=O)OCCF)CC1 308003505 BZCOVYJNPSRVFZ-UHFFFAOYSA-N 174.215 2.079 0 20 AEAD CC(C)(C)CCSCCC(N)=O 308027676 HVYIHWSCFDKFQS-UHFFFAOYSA-N 189.324 2.031 0 20 AEAD CC[C@@H](O)CNC[C@@H]1CCCC[C@H]1C 308458492 DWCYJXATZHVYQK-GRYCIOLGSA-N 199.338 2.173 0 20 AEAD CC(C)COCCCN[C@H]1CC[C@@H]1C 308468940 AWNLOFUJUKVVNQ-RYUDHWBXSA-N 199.338 2.437 0 20 AEAD CC[C@@H]1C[C@H](C)CN1CCC[C@@H](C)O 308586356 SBWBXSARGURUOV-QJPTWQEYSA-N 199.338 2.268 0 20 AEAD CN(Cc1ccncc1)C1CCCC1 334404078 FDQIPRYPTDOGNK-UHFFFAOYSA-N 190.290 2.456 0 20 AEAD CC1(c2csc(N3CCC3)n2)CC1 334591281 SPTHWVTUTKNFMH-UHFFFAOYSA-N 194.303 2.405 0 20 AEAD CC1(CC(=O)N[C@H]2C=CCCC2)CC1 335402453 AIMJJYLBCDRTTG-JTQLQIEISA-N 193.290 2.402 0 20 AEAD F[C@@H]1CCN(CC2CCCC2)C1 335408184 XFFQOFJSFVPGHA-SNVBAGLBSA-N 171.259 2.220 0 20 AEAD N=C(O)CN1CCCC2(CCCC2)C1 335685674 LKXNJWAYXRWEBD-UHFFFAOYSA-N 196.294 2.178 0 20 AEAD CC[C@H](C)N(C)c1cc(C)nc(C)n1 335709953 NVMOVDYEVYYZII-VIFPVBQESA-N 193.294 2.328 0 20 AEAD CC[C@@H]1CCCN1Cc1conc1C 336377694 IVCRPOYKDXESPC-LLVKDONJSA-N 194.278 2.357 0 20 AEAD CCCOCc1nc(CC(C)C)no1 349839884 XVDQNUYINYJIOK-UHFFFAOYSA-N 198.266 2.195 0 20 AEAD CCC[C@H](C)NC(=O)C1=CCCC1 379373677 LSGRLPFMCANTCN-VIFPVBQESA-N 181.279 2.402 0 20 AEAD COC1(CNCC2CCC2)CCCC1 379590626 WLLFPENPTHYBAK-UHFFFAOYSA-N 197.322 2.335 0 20 AEAD CC(C)[C@H](N[C@@H](C)C[C@H](C)O)C1CC1 379652989 HKDNQEBFJCRAAZ-NHCYSSNCSA-N 199.338 2.170 0 20 AEAD CCC1(NCc2nccs2)CC1 379741140 MWLHLNLEWJCGOH-UHFFFAOYSA-N 182.292 2.175 0 20 AEAD CCCCN[C@@H](C)[C@H](OC)C1CC1 388269865 FJTRGJKGAJALLV-ONGXEEELSA-N 185.311 2.190 0 20 AEAD O=c1sccn1CCCCCF 388405844 SKVLJOIVBXEDQI-UHFFFAOYSA-N 189.255 2.050 0 20 AEAD CC[C@@H](C)[C@H](C)NC(=O)C1CCC1 388579332 DEDQHBJFSKPGHZ-BDAKNGLRSA-N 183.295 2.337 0 20 AEAD CC[C@@H](CO)N[C@@H](CC)[C@H]1CC1(C)C 397672302 FMQFXVUKEDTCJZ-AXFHLTTASA-N 199.338 2.172 0 20 AEAD CC(C)=CCCN[C@H]1CCCN[C@@H]1C 397737918 UJIMGXPZPBKWGS-NEPJUHHUSA-N 196.338 2.073 0 20 AEAD CC(C)[C@H](N)CN[C@H](C)CCC1CC1 398077085 LAKUJJKLJPVDHU-ZYHUDNBSSA-N 198.354 2.138 0 20 AEAD c1csc(N[C@]23CCC[C@H]2C3)n1 575480356 LUNLMOMFZKFITA-CBAPKCEASA-N 180.276 2.498 0 20 AEAD CC[C@@H](C)N(C)Cc1cnc(C)nc1 591376384 JUNNOIPIFRUIBN-SECBINFHSA-N 193.294 2.015 0 20 AEAD CC[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 607858332 CVTFQJUXVPMZAM-LPEHRKFASA-N 195.306 2.147 0 20 AEAD CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 620186123 URFHGOAHZJBYOG-ATZCPNFKSA-N 193.290 2.043 0 20 AEAD Cc1cocc1C(=O)N[C@@H]1CC1(C)C 624524769 BYNYKTHNEADREN-SECBINFHSA-N 193.246 2.116 0 20 AEAD CC(C)(C)CCC(=O)N1C[C@H]2C[C@H]2C1 628509977 UJXVLQPULOGYBT-AOOOYVTPSA-N 195.306 2.291 0 20 AEAD c1cc(-c2cnc3n2CCCC3)ccn1 630049657 HIRFDTYAQNULHS-UHFFFAOYSA-N 199.257 2.281 0 20 AEAD CC[C@H](C)[C@H](CN(C)CC1CC1)OC 637955295 JYGFAFCELXNXGF-JQWIXIFHSA-N 199.338 2.389 0 20 AEAD CC[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]1C 641243674 MVEDLUVNUPQOLK-GMTAPVOTSA-N 195.306 2.434 0 20 AEAD C[C@@H]1CCN1C(=O)C1[C@@H]2CCCC[C@@H]12 641247134 YALVPATVBZTSKK-OPRDCNLKSA-N 193.290 2.043 0 20 AEAD CCCN(C)C(C)(C)CN1CCCC1 642726708 DZZWHYYZHSZXIA-UHFFFAOYSA-N 198.354 2.203 0 20 AEAD CCC1CN(C(=O)C[C@@H](C)CC)C1 654697234 QIOLRKYPBNBWAD-VIFPVBQESA-N 183.295 2.291 0 20 AEAD CCOC[C@@H](C)N[C@@H]1C[C@H]1CC(C)C 657038003 GQEKMXVCJNWKBF-IJLUTSLNSA-N 199.338 2.436 0 20 AEAD CC[C@H](CO)N(C)CCC=C(C)C 660647600 GDJBRJCNWDWSGB-LLVKDONJSA-N 185.311 2.045 0 20 AEAD c1cc(CN2C[C@@H]3CCCC[C@@H]32)on1 660927909 IQVFRYNMYSEWPC-ONGXEEELSA-N 192.262 2.049 0 20 AEAD COC1([C@@H](C)NCC2CCC2)CCC1 665218039 JAXAXBPUGZMGMX-SNVBAGLBSA-N 197.322 2.334 0 20 AEAD CCCC(CCC)NC[C@@H](N)CC 666911282 XUXLRWILYDGBOZ-JTQLQIEISA-N 186.343 2.282 0 20 AEAD C[C@H](CF)N[C@@H]1CCCC12CC2 668174035 BGFBCCHMMIFXEX-RKDXNWHRSA-N 171.259 2.267 0 20 AEAD CC(C)C[C@H](C)NC(=O)NCC1CC1 676907934 LHJIAXUCPMMPSX-VIFPVBQESA-N 198.310 2.130 0 20 AEAD CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CC1 681257803 AVJIWVPMDGAOKA-JQWIXIFHSA-N 195.306 2.195 0 20 AEAD C[C@H](N(C)Cc1cnc[nH]1)C1(C)CC1 681507383 QCYYIPNYLNFTNE-VIFPVBQESA-N 193.294 2.030 0 20 AEAD CCO[C@@H]1CCCN(C[C@@H]2C[C@H]2C)C1 682673614 SBRULJTYHGLTIR-GRYCIOLGSA-N 197.322 2.143 0 20 AEAD CC(C)=CCCNC(=O)NCC1CC1 682847831 VQSQDVILBIAODQ-UHFFFAOYSA-N 196.294 2.052 0 20 AEAD CCOC1CCN(C[C@H]2C[C@H]2C)CC1 683108813 DWGSTBAFSKEODO-GHMZBOCLSA-N 197.322 2.143 0 20 AEAD C[C@H]1C[C@H]1c1nc(-c2ccco2)no1 683590954 FQMSIUHLDOTKOJ-NKWVEPMBSA-N 190.202 2.453 0 20 AEAD CC[C@H](C)COc1coc(C)cc1=O 684536229 ZGLNEBGBQQRUKX-QMMMGPOBSA-N 196.246 2.373 0 20 AEAD CCCN(C)C(=O)c1ccoc1CC 684656800 USPLEBZCIVXDQZ-UHFFFAOYSA-N 195.262 2.324 0 20 AEAD CSC1CC(N[C@@H]2C=CCC2)C1 706815685 PBEMMHOLFMRQKK-XNWIYYODSA-N 183.320 2.189 0 20 AEAD CSC1CC(NCCC2CC2)C1 706947516 VNQCVYNCXOFBFX-UHFFFAOYSA-N 185.336 2.270 0 20 AEAD C/C=C\C(=O)Nc1cccc(O)c1F 762318075 IPPVKHVFDSJHEK-RQOWECAXSA-N 195.193 2.046 0 20 AEAD C[C@@H]1CN(C(=O)OCC2CC2)C[C@H]1C 785115083 OAYVSRIYYOUXQP-RKDXNWHRSA-N 197.278 2.121 0 20 AEAD CCCC[C@@H]1CCC[C@@H]1NCC(=O)O 820311041 MAWBTYGJFMPTCJ-ZJUUUORDSA-N 199.294 2.020 0 20 AEAD CCCCNC(=N)NCC1CCCC1 848986487 XOECESOGNMZBIY-UHFFFAOYSA-N 197.326 2.091 0 20 AEAD O=C(NCC1=CCCC1)OC1CCC1 851826787 XNTJGVSJPCKDFL-UHFFFAOYSA-N 195.262 2.375 0 20 AEAD CCOC(C)(C)C(=O)OCC(C)C 869765580 OKERZIOFLKGHRT-UHFFFAOYSA-N 188.267 2.001 0 20 AEAD CC(C)=CCONC(=N)C1CCC1 871765596 CKNFJKAUVUALRV-UHFFFAOYSA-N 182.267 2.251 0 20 AEAD CCc1nnc(SCSC)o1 882327358 QFKUUVZDUMTWDF-UHFFFAOYSA-N 190.293 2.045 0 20 AEAD C=C/C=C/CCN[C@@H](C)c1ncc[nH]1 883268185 DULSVFNKHWNSHF-YEZKRMTDSA-N 191.278 2.193 0 20 AEAD CC(C)(C)CCNCC[C@H](O)C1CC1 898203219 GRSODCVQKZFRPB-NSHDSACASA-N 199.338 2.173 0 20 AEAD C/C=C/C=C\C(=O)NCc1ccco1 912763679 OJENATCZAOJOLV-SWBALALESA-N 191.230 2.028 0 20 AEAD CC(C)Cc1noc(C2CSC2)n1 923751807 CXOUYYNLAJWAIS-UHFFFAOYSA-N 198.291 2.099 0 20 AEAD CCCN1CCN(C)C[C@H]1CC(C)C 933245051 FBDFMWMZIBSMKT-GFCCVEGCSA-N 198.354 2.059 0 20 AEAD C[C@H]1C[C@H]1CN1C[C@H]2CCC[C@H]2C1 934349688 WGVSMBTWYNARAG-YFKTTZPYSA-N 179.307 2.374 0 20 AEAD Clc1ncn(CCC2CCC2)n1 1328043106 NTTSRKCLBISHCK-UHFFFAOYSA-N 185.658 2.122 0 20 AEAD Nc1c2c(c(F)c3c1CCC3)CCC2 1857784076 PMOAFDBPQNDDTA-UHFFFAOYSA-N 191.249 2.385 0 20 AEAD CCCCCC(=O)N(CC)CC 1566616 ZZTJARSULYQEHS-UHFFFAOYSA-N 171.284 2.435 0 20 AEAD CC[C@@H](C)C(=O)N1CCC[C@H](C)C1 5593190 SHQATRQGVLTDAQ-VHSXEESVSA-N 183.295 2.291 0 20 AEAD Cc1ccccc1[C@@H](C)NCCCO 20188133 ZSCHLGKRCBNDDT-LLVKDONJSA-N 193.290 2.028 0 20 AEAD C[C@@H]1C[C@@H]1C(=O)N1CCCCCCC1 20496980 UYUUOSOMWASGLO-MNOVXSKESA-N 195.306 2.435 0 20 AEAD c1cnc2cc([C@H]3CCCN3)oc2c1 26653960 QULUBEZVAACGFX-MRVPVSSYSA-N 188.230 2.252 0 20 AEAD CC(=O)c1cc2ccoc2cn1 33961456 HKOXPERDUASDCQ-UHFFFAOYSA-N 161.160 2.030 0 20 AEAD C[C@H]1COc2ccc(F)cc2C1=O 35756809 CJEBXKSOAGIMIU-LURJTMIESA-N 180.178 2.037 0 20 AEAD CC(=O)CN(C)[C@H]1CCCC[C@@H]1C 42609188 NHVLWAHNBCRYJV-ONGXEEELSA-N 183.295 2.086 0 20 AEAD COc1ccccc1CCC(C)(C)N 49807204 CACZNUBIIFCWQY-UHFFFAOYSA-N 193.290 2.365 0 20 AEAD Cc1cccc(N(C)CC[C@@H](C)O)c1 49988887 AVUJTTYIZBBBHP-LLVKDONJSA-N 193.290 2.202 0 20 AEAD CCCCN(CC)C[C@H](O)CCC 50193230 IIIBWZJORCEGTQ-LLVKDONJSA-N 187.327 2.269 0 20 AEAD CCCC[C@@H](C)NC1CCC(N)CC1 51694203 NGLJZJGYTDKRGH-VOMCLLRMSA-N 198.354 2.425 0 20 AEAD CNc1nc2cc(C)ccc2o1 62498496 YVKLREKQATZSQP-UHFFFAOYSA-N 162.192 2.178 0 20 AEAD CCC(=O)N1CCC[C@@H](C)CC1 70232801 MVRJSMSJNZFUTN-SECBINFHSA-N 169.268 2.045 0 20 AEAD C/C=C/C(=O)N(C)Cc1cccs1 82237666 STIFWIHFGYVGPG-HWKANZROSA-N 195.287 2.283 0 20 AEAD C[C@@H]1CCC[C@@H]1N[C@@H]1CCCOCC1 83425723 SHODKJZIYRFQOS-UTUOFQBUSA-N 197.322 2.334 0 20 AEAD Cc1ccc(CNCCC2CC2)cn1 83926543 NZMACTVUTDUGGT-UHFFFAOYSA-N 190.290 2.280 0 20 AEAD CCC(=O)N1[C@H](C)CC[C@H]1CC 124527063 IPLLDTSQVROOEF-RKDXNWHRSA-N 169.268 2.186 0 20 AEAD Cc1cccc(C(=O)N(C)C)c1Cl 129125581 WKFPZMHUVQDSLJ-UHFFFAOYSA-N 197.665 2.350 0 20 AEAD CC[C@H]1CCCC[C@@H]1NC(=O)N(C)C 135987481 NVBKBAZOSUIZMR-UWVGGRQHSA-N 198.310 2.226 0 20 AEAD CCc1ccc([C@H](C)C(=O)NC)cc1 137975492 YRHLSORYXKLULK-VIFPVBQESA-N 191.274 2.099 0 20 AEAD Cc1cccc2cc(Cl)[nH]c(=O)c12 141560929 BQINMWFDGKBDAG-UHFFFAOYSA-N 193.633 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172.231 2.379 0 20 AEAD CC/C=C(/C)C(=O)N1CCCCC1 306581660 ZUVQTJGFOCRJJG-YFHOEESVSA-N 181.279 2.355 0 20 AEAD C1SCC1NC[C@H]1C[C@H]2CC[C@H]1C2 306757802 NVBNCBJJXMNLTH-LPEHRKFASA-N 197.347 2.128 0 20 AEAD CO[C@@H](C)c1nc(C2CCC2)no1 307080469 SDNVOLVSDVVXFA-LURJTMIESA-N 182.223 2.045 0 20 AEAD C[C@H]1CC(C)(C)C[C@H]1NCCF 307232095 BSHMSJIDUYBPHI-DTWKUNHWSA-N 173.275 2.370 0 20 AEAD C=CC(=O)NC1(CC)CCCC1 307248865 NMURPDJUVVRESC-UHFFFAOYSA-N 167.252 2.011 0 20 AEAD CNC[C@@]1(OC)CCCC(C)(C)C1 307470523 VULLRCJEXCADFY-LLVKDONJSA-N 185.311 2.191 0 20 AEAD CC[C@@H](C)C(=O)N(C)CC1CCC1 308289377 GCSLAVXJGOFJSE-SECBINFHSA-N 183.295 2.291 0 20 AEAD CCC[C@](C)(CC)C(=O)N1CCC1 308380532 UNZNMCSCXHJAGK-NSHDSACASA-N 183.295 2.435 0 20 AEAD C[C@@H](NC[C@@H]1CC1(C)C)c1cn[nH]c1 308550794 QBKSXAZIOZQKLT-SCZZXKLOSA-N 193.294 2.106 0 20 AEAD CO[C@H]1CCC[C@@H]1CNCC1(C)CC1 308627226 XDFSAVZAMOXXMM-MNOVXSKESA-N 197.322 2.191 0 20 AEAD CC[C@@H](C)[C@@H](C)N(CC)CCCO 319533557 MRLPWAPVPBXQRB-GHMZBOCLSA-N 187.327 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AEAD C[C@H](N)[C@@H]1CCc2ccccc21 83802263 DLJPRXRMICOAPF-WPRPVWTQSA-N 161.248 2.064 0 20 AEAD CC(C)(O)CCN1CCC(C)(C)CC1 86234242 PWRZHAHKQOHYMA-UHFFFAOYSA-N 199.338 2.269 0 20 AEAD CC1(C)C[C@@H](NCC2CC2)C(C)(C)O1 86926906 LOXBPUJPLVXFSN-SNVBAGLBSA-N 197.322 2.332 0 20 AEAD CC(C)(CO)CNCC1CCCCC1 88170305 OARBIMILIYHFAN-UHFFFAOYSA-N 199.338 2.175 0 20 AEAD N[C@H](c1ccc(O)c(Cl)c1)C1CC1 95682308 DOGMMXKTHZYPJT-JTQLQIEISA-N 197.665 2.455 0 20 AEAD C/C=C/C(=O)NC[C@H](C)C(C)(C)C 96604721 AAFNUQLXJPVEDX-UCUJLANTSA-N 183.295 2.361 0 20 AEAD CC(C)n1nc(C(F)(F)F)cc1O 106385552 UYAJEUUVECNSPN-UHFFFAOYSA-N 194.156 2.188 0 20 AEAD C[C@@]1(CO)CCCN(C2CCCC2)C1 107464605 UZIIGAJUKZWVHR-GFCCVEGCSA-N 197.322 2.023 0 20 AEAD CC(C)[C@H](C)[C@@H]1CCC[C@@H]1O 117786894 IAUBOPYKRJWQAQ-GUBZILKMSA-N 156.269 2.440 0 20 AEAD CN(CCOC(C)(C)C)CC1CC1 149388047 YJKQSQDKHSSSOI-UHFFFAOYSA-N 185.311 2.143 0 20 AEAD CC[C@]1(C)NCCc2occc21 211972829 IMLRJGSDRQLGGI-JTQLQIEISA-N 165.236 2.051 0 20 AEAD CC(F)(F)COc1cccc(N)c1 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CC[C@@]1(O)CCCN(C2CCCC2)C1 606274141 WTCUUTVJHRUHDR-GFCCVEGCSA-N 197.322 2.166 0 20 AEAD CC[C@H](C)C(=O)N[C@@]1(C)CC1(C)C 620081650 ILPDQWQWWHSMGZ-KWQFWETISA-N 183.295 2.337 0 20 AEAD CC[C@@H]1CCC[C@H](NCC[C@H](C)N)C1 622045115 APOGJXPOSNEKSX-TUAOUCFPSA-N 198.354 2.282 0 20 AEAD CCC[C@@H](CNC1(C)CC=CC1)OC 639297642 UBZUCUADLBOUCS-NSHDSACASA-N 197.322 2.500 0 20 AEAD C[C@H](CNC1(C)COC1)C(C)(C)C 639381624 ZCSCACPXNQCIEE-SECBINFHSA-N 185.311 2.047 0 20 AEAD CCCCN(CC)C[C@H]1CCOC1 642619666 BZSCCFZSTGUPNV-LLVKDONJSA-N 185.311 2.145 0 20 AEAD CC1(NC(=O)[C@]23CCC[C@@H]2C3)CCC1 643339334 JITDRGLCTYXUAM-SKDRFNHKSA-N 193.290 2.235 0 20 AEAD CC(C)C[C@@H]1C[C@H]1N[C@H](C)C[C@H](C)N 643494439 ACQCYXCYOPPECQ-IRCOFANPSA-N 198.354 2.136 0 20 AEAD CC[C@H]1CCCC[C@@H]1NCCCNC 643498490 JQAJYRHZAISRAD-RYUDHWBXSA-N 198.354 2.154 0 20 AEAD CCCC[C@@H](CN)N[C@H](CC)C1CC1 643514458 YMKMDATYBAYIFM-NWDGAFQWSA-N 198.354 2.282 0 20 AEAD CCC[C@@H](NC(=O)NC)C(C)(C)C 655062289 PHFUEQASKLXKPK-MRVPVSSYSA-N 186.299 2.130 0 20 AEAD CC[C@@H]1CCC[C@H](NC/C=C/CO)C1 657592579 KFRWSPKWRBSKKR-LXYZTQFVSA-N 197.322 2.093 0 20 AEAD CC(C)Cc1noc(CCCF)n1 663303217 LAIAMBIUHVVVTK-UHFFFAOYSA-N 186.230 2.170 0 20 AEAD Cc1cn(C[C@@H]2CCC[C@H](C)C2)nn1 664084518 YOLVIYTVEVPKDU-GXSJLCMTSA-N 193.294 2.413 0 20 AEAD CCC(CC)C(=O)N1CCC[C@H]2C[C@@H]21 672125062 LNHFIVINEVDVNB-QWRGUYRKSA-N 195.306 2.434 0 20 AEAD C[C@@H]1CN(C[C@@H]2CCOC2)CC[C@H]1C 678045158 BPVDZPOMZJIXNB-UTUOFQBUSA-N 197.322 2.001 0 20 AEAD CC[C@@H](C)CC(=O)NC1(C2CC2)CC1 682920609 YTPKJRAKKYCVFA-SECBINFHSA-N 195.306 2.481 0 20 AEAD C[C@@H](CCN[C@@H]1CC[C@@H](C)C1)N(C)C 700508877 ZCAGNBRWZRQMQK-GRYCIOLGSA-N 198.354 2.105 0 20 AEAD C[C@@H]1COC[C@@H]1NCC1=CCCCC1 710887719 FCFUGFCMVGVXHK-PWSUYJOCSA-N 195.306 2.111 0 20 AEAD C=C/C=C\CCNc1nc(C)ns1 713487354 JRZZVTWSLWCZFW-PLNGDYQASA-N 195.291 2.391 0 20 AEAD CC[C@@H](N)CCC(C)(F)F 714011619 BBYQGJDYXCTSFL-ZCFIWIBFSA-N 151.200 2.159 0 20 AEAD CCN(CC[C@@H]1CCCN1C)C(C)C 759845606 PBXXBYSQFZRKAC-LBPRGKRZSA-N 198.354 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0 20 AEAD CCC1CCN(C(=O)C2(C)CC2)CC1 231462503 XIQSTKFYJSWPKK-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CCC[C@@H]1C[C@H]1Nc1cc(F)ncn1 233310578 ZUPMUMHRMOWQPD-HTQZYQBOSA-N 195.241 2.216 0 20 AEAD C[C@@H]1C[C@H](NCC2(C)CC2)CS1 235452648 OHZLRMDEPNSPEI-BDAKNGLRSA-N 185.336 2.270 0 20 AEAD CC[C@@H](CO)N[C@@H]1CCC[C@H](C)[C@H]1C 253236534 NWRZWUZKGGWQJJ-WHOHXGKFSA-N 199.338 2.172 0 20 AEAD CC[C@@H](O)CN1CCCCCCCC1 306245753 WKRJXKYMBYWNPB-GFCCVEGCSA-N 199.338 2.414 0 20 AEAD O[C@@H](CC1CCCCC1)c1cn[nH]c1 306397720 WXYCOQYPMUERER-NSHDSACASA-N 194.278 2.414 0 20 AEAD C[C@@H](NC1CC=CC1)C1CCC1 306543754 WSLDKMMWZFHCTF-SECBINFHSA-N 165.280 2.483 0 20 AEAD C[C@H]1CC[C@H](C(=O)N(C)C2CC2)C1 306565950 YXGAUMFZXWRKMQ-IUCAKERBSA-N 181.279 2.043 0 20 AEAD C[C@@H]1CC[C@@H](C)N1CCCF 307047903 AVEWTNAJPVPVGC-RKDXNWHRSA-N 159.248 2.219 0 20 AEAD CCNC1CCC(F)(F)CC1 307209826 LNVHCBXHULTCLP-UHFFFAOYSA-N 163.211 2.174 0 20 AEAD CC(C)[C@@H](C)C(=O)N1CCC1(C)C 307573202 DTQZGJNSTIHPRR-SECBINFHSA-N 183.295 2.289 0 20 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CC(C)=CCCN(C)c1ccn(C)n1 660309267 LXSHNQSNCXHYDK-UHFFFAOYSA-N 193.294 2.213 0 20 AEAD CNCCCN(C)CCCC1CCC1 662280923 HTSYFFKIJQVQDT-UHFFFAOYSA-N 198.354 2.108 0 20 AEAD CC[C@H](C)NC(=O)N1C[C@@H](C)[C@@H](C)C1 674408892 IXAIUKMBXLLCHA-AEJSXWLSSA-N 198.310 2.082 0 20 AEAD CO[C@H](C)CN1CC[C@@H](CC(C)C)C1 679852316 JRROUHZGYKYJRH-NEPJUHHUSA-N 199.338 2.389 0 20 AEAD C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H](C)C1 684515207 RWULMEKUDJNIOL-RCWTZXSCSA-N 195.306 2.195 0 20 AEAD C[C@@H]1CC[C@H](NC(=O)O)[C@H](C)C1 736769665 VXGYFLIIFQJNIV-PRJMDXOYSA-N 171.240 2.079 0 20 AEAD C/C=C(\C)C(=O)Nc1ccc(F)nc1 766749376 JSSZHMAVEFIRKJ-XVNBXDOJSA-N 194.209 2.125 0 20 AEAD C=C=CCNC(=O)CC(C)(C)C1CC1 848114308 RUVKUUGHNOMISD-UHFFFAOYSA-N 193.290 2.270 0 20 AEAD C=C/C=C/CCN1CCOC[C@H]1CC 878109617 WOBHPCCFKMMQHC-BTDICHCPSA-N 195.306 2.230 0 20 AEAD C/C(=C(\F)C(=O)NC1CCC1)C1CC1 900616674 KTMHRLVZNPEZOO-JXMROGBWSA-N 197.253 2.309 0 20 AEAD CC[C@@H]1CCC[C@@H](NCC2(N)CC2)C1 902416849 OQCBHHIYHKHXJN-GHMZBOCLSA-N 196.338 2.036 0 20 AEAD CC(C)CCC(=O)OCc1ccno1 920016810 IYRQVRINTZKMKS-UHFFFAOYSA-N 197.234 2.154 0 20 AEAD C[C@H](NC[C@@H]1CC1(C)C)c1ncco1 925392527 HWSIHBSHABPQHE-IUCAKERBSA-N 194.278 2.371 0 20 AEAD CC1CC(CN2CCOC[C@H](C)C2)C1 930087542 VOHDGPVLZFDGHX-MOENNCHZSA-N 197.322 2.001 0 20 AEAD CC[C@@H](C)CN1CCn2cccc2C1 932528813 QKWILSAIJUGROQ-LLVKDONJSA-N 192.306 2.350 0 20 AEAD CC/C=C(/C)C(=O)OCCOC1CC1 1119605415 RKOAAXUADXDSJQ-WTKPLQERSA-N 198.262 2.065 0 20 AEAD C[C@H](O)[C@H](C)N1CC[C@H](C)C(C)(C)C1 1645227770 HIQXZANDHLFOFE-DCAQKATOSA-N 199.338 2.124 0 20 AEAD CCN[C@@H](C)c1cccs1 19478847 OBDBIRYQYXHAGP-ZETCQYMHSA-N 155.266 2.419 0 20 AEAD C[C@H](NC[C@H]1CCCO1)c1ccco1 19963595 SBGRPHFBZRNBLY-VHSXEESVSA-N 195.262 2.109 0 20 AEAD CC(C)CC[C@H](C)N[C@H]1CCCNC1 32509026 PZSDVMAKUFYWCX-RYUDHWBXSA-N 198.354 2.153 0 20 AEAD CC(C)c1cccc2c1OC[C@@H]2N 35654812 LFDJLWXRUOQGOE-JTQLQIEISA-N 177.247 2.202 0 20 AEAD CC(C)CCC[C@H](C)NCCCO 48694132 AZLQKMZWACYCLI-NSHDSACASA-N 187.327 2.173 0 20 AEAD CC(C)NC[C@@H]1CCCN(C(C)C)C1 53655386 MXZVOKWWMUSPCJ-LBPRGKRZSA-N 198.354 2.105 0 20 AEAD C[C@@H](O)CCN1CCCCC[C@H]1C 69945525 JSPINDOFLFQEBH-GHMZBOCLSA-N 185.311 2.022 0 20 AEAD CC(C)(C)[C@@H]1CCCN(C(N)=O)CC1 70588683 GPYFGRXZDJZERM-SECBINFHSA-N 198.310 2.213 0 20 AEAD CCCNc1cc(C2CC2)ncn1 71007305 IYCWDHKQPSXMRT-UHFFFAOYSA-N 177.251 2.176 0 20 AEAD C[C@@H]1N=Nc2ncccc21 72231323 CGNYZWHKJOKLOJ-YFKPBYRVSA-N 133.154 2.240 0 20 AEAD CC(C)[C@@H](N)COc1ccc(F)cc1 83119920 DYZTXNQERNWDGQ-NSHDSACASA-N 197.253 2.188 0 20 AEAD C[C@H]1CCC[C@H](N[C@@H](C)C(=O)O)CC1 83427853 WTGDGWPDMBGORX-GUBZILKMSA-N 199.294 2.018 0 20 AEAD COCCCC1(CO)CCCCC1 85037662 MDZGDPRBMYGBFS-UHFFFAOYSA-N 186.295 2.356 0 20 AEAD Cc1ccc(C)c([C@@H](F)C(=O)O)c1 86242935 NHGZJTNGAXIFGU-SECBINFHSA-N 182.194 2.399 0 20 AEAD Cc1cc2c(cc1C)[C@@](C)(F)C(=O)N2 91691966 ZEJBEHDESDYEQB-LLVKDONJSA-N 193.221 2.440 0 20 AEAD CC(C)C(=O)[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C 115010004 UVZKEHKSFZHRLM-QXEWZRGKSA-N 196.290 2.463 0 20 AEAD CCN(CC)C(=O)N(C)[C@H](C)C1CC1 122996239 AYWXEAJBJMWFSS-SECBINFHSA-N 198.310 2.179 0 20 AEAD C[C@H](CNC(=O)NC1CC1)C(C)(C)C 123858962 UMOCRDNLUBPNES-MRVPVSSYSA-N 198.310 2.130 0 20 AEAD C[C@H](CN[C@@H](C)C1CC1)C1CC1 129308659 MXDQDRGKRPQILV-BDAKNGLRSA-N 167.296 2.421 0 20 AEAD Cc1ccnc(N[C@H]2CC[C@@H](C)C2)n1 129678113 OROKSLSFCOWQCW-SCZZXKLOSA-N 191.278 2.386 0 20 AEAD CO[C@H](C)[C@H](C)NCCCC(C)C 132294194 ONTLQEHHNZIBNK-WDEREUQCSA-N 187.327 2.436 0 20 AEAD CCC[C@H](CC)NCCn1ccnc1 132676826 PSUMWSGEDOQWHE-NSHDSACASA-N 195.310 2.051 0 20 AEAD C[C@H](CCO)NC[C@@H]1CCCC[C@H]1C 134862850 ZYPQPUNRPNYVHX-UTUOFQBUSA-N 199.338 2.173 0 20 AEAD C[C@H]1C[C@H]1CNC1CCSCC1 136248966 XEODCEWMZMWBMH-IUCAKERBSA-N 185.336 2.128 0 20 AEAD CC(C)N1CC[C@@H](C)[C@@H]1C 146116956 YFUJRESCXVPRLC-BDAKNGLRSA-N 141.258 2.125 0 20 AEAD CC(C)NCCSC(F)(F)F 162537045 LITXLCWDMYBRBR-UHFFFAOYSA-N 187.230 2.237 0 20 AEAD CCOC(=O)C[C@H]1CC[C@H](C)C1 198010612 KOAPHEWTEOYZQX-IUCAKERBSA-N 170.252 2.376 0 20 AEAD C=Cc1cc(Cl)nc(C)n1 218655112 VJTFQKDLQMHWKF-UHFFFAOYSA-N 154.600 2.081 0 20 AEAD CC(C)CCCN(CCO)C1CCC1 221531672 YHWNEVHEBHGJJP-UHFFFAOYSA-N 199.338 2.269 0 20 AEAD CC[C@H](C)N(C)CCNC1CC(C)C1 231788010 BFFPXHDXHCWMOD-CXQJBGSLSA-N 198.354 2.105 0 20 AEAD CCC[C@H](C)n1cc([C@H](O)CC)nn1 233343530 QLIKGSWMTSSCEA-WCBMZHEXSA-N 197.282 2.083 0 20 AEAD CCOC[C@@H](NCC(C)C)C(C)C 233725893 QOTXXYJFHYRDRV-LLVKDONJSA-N 187.327 2.293 0 20 AEAD CC[C@H]1CCCCN1CCC[C@H](C)O 251802874 OEQWQCDUISISKJ-RYUDHWBXSA-N 199.338 2.412 0 20 AEAD CCCC[C@H](C)N[C@H]1CC[C@H](O)CC1 252731005 NXOYUHFQZHTBBB-SRVKXCTJSA-N 199.338 2.458 0 20 AEAD CC(C)=CC(=O)N[C@H]1CC[C@H](C)C1 300778548 OPBCLMYBXNOLOK-UWVGGRQHSA-N 181.279 2.257 0 20 AEAD CC(C)C[C@H](C)CN1CC[C@@](C)(O)C1 300968446 RUBUTZPJGVFJAX-NWDGAFQWSA-N 199.338 2.125 0 20 AEAD C1CC(CN2C[C@H]3CCC[C@@H]32)C1 306448713 JIKWYNXFYWPPGZ-MNOVXSKESA-N 165.280 2.271 0 20 AEAD C=CC(=O)N[C@@]1(C)CCCC[C@@H]1C 306463187 IEVLRLFBXQTGSL-ONGXEEELSA-N 181.279 2.257 0 20 AEAD Cc1noc(-c2sc(C)nc2C)n1 307451963 SLHBZBTYPJCIID-UHFFFAOYSA-N 195.247 2.118 0 20 AEAD CC1CC(N[C@H]2CSC2(C)C)C1 307562321 ZPXBFLIJRAOAGK-HACHORDNSA-N 185.336 2.269 0 20 AEAD CCC(CC)NC(=O)[C@@H](C)SC 307999899 YTAFZQWODUOXTJ-SSDOTTSWSA-N 189.324 2.043 0 20 AEAD CC[C@H](C)CNC[C@H](CC)OC 308065895 YOFMGINVWBLZHW-UWVGGRQHSA-N 173.300 2.047 0 20 AEAD CCC[C@@H](C)N(C)C(=O)CC1CC1 308145472 AFOVQUXWTNUJTR-SECBINFHSA-N 183.295 2.434 0 20 AEAD CCCOC(=O)N[C@@H]1C[C@H]1CCC 308205449 YLYQFXWFLAKUIP-RKDXNWHRSA-N 185.267 2.311 0 20 AEAD CC[C@H](C)OC(=O)C[C@@H](C)COC 308237441 RHQGKVWLQNPDRG-BDAKNGLRSA-N 188.267 2.001 0 20 AEAD CCC(CC)NC[C@@]1(C)CCOC1 308311075 RLZQOIYHCPDKEN-LLVKDONJSA-N 185.311 2.191 0 20 AEAD CC(C)CC(=O)NCCC1(C)CC1 308345285 UXKAOFJBRIVPJT-UHFFFAOYSA-N 183.295 2.339 0 20 AEAD C[C@@H]1COCC[C@@H]1CN[C@H](C)C1CC1 308590210 UXMJBFQSRHXDGR-CKYFFXLPSA-N 197.322 2.047 0 20 AEAD CC(C)CC[C@@H](N[C@@H](C)CO)C1CC1 308593679 QOVGXFZXSRAQDP-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD C[C@@H](CCCN)N[C@H]1CCCC1(C)C 308649539 JFQLBDXACRFHNL-QWRGUYRKSA-N 198.354 2.282 0 20 AEAD CC1CCN(C(=O)[C@H]2CC2(C)C)CC1 334165030 ACGRZWMKEWPEAM-SNVBAGLBSA-N 195.306 2.291 0 20 AEAD CC(C)[C@H]1CCN1C(=O)[C@H](C)C1CC1 334253430 CIOKCDPWFUEADH-MWLCHTKSSA-N 195.306 2.289 0 20 AEAD CCc1cc(N2CC[C@@H](F)C2)ccn1 335400188 QMWYGTHRWRDSLZ-SECBINFHSA-N 194.253 2.192 0 20 AEAD CN(C(=O)c1ccsn1)C(C)(C)C 335449932 JVQYQPUCFZGNSG-UHFFFAOYSA-N 198.291 2.014 0 20 AEAD C[C@H]1C[C@@H]1NC(=O)C1=CCCCCC1 335795281 AUZLAKGHCKQNFP-ONGXEEELSA-N 193.290 2.402 0 20 AEAD CCCC(=O)Nc1c(C)cccc1O 335946520 YUDVJDUBZQKPSK-UHFFFAOYSA-N 193.246 2.439 0 20 AEAD CC[C@H](C)CN(C)C[C@H]1CCCO1 379355279 LATWZKYABXPVFO-WDEREUQCSA-N 185.311 2.143 0 20 AEAD C=CC(=O)N(C1CC1)[C@@H](C)C(C)C 379413007 LGJUZWAEKATIFI-VIFPVBQESA-N 181.279 2.208 0 20 AEAD CC[C@H]1CC[C@@H]1NCCOCC1CC1 379583809 NPGUQBPYEDVLJB-RYUDHWBXSA-N 197.322 2.191 0 20 AEAD CC(C)[C@@H]1CCC[C@@H]1NCC[C@H](C)O 379609859 SOABHXCXUJDJKJ-SRVKXCTJSA-N 199.338 2.172 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@@H]1CSC[C@H]1C 388232919 QQROMBVWBVKYDA-CHWFTXMASA-N 199.363 2.374 0 20 AEAD COCc1ccc(CNC2(C)CC2)o1 388755630 RIQAWQSOUZYWFB-UHFFFAOYSA-N 195.262 2.068 0 20 AEAD C[C@@H]1C[C@H]1CNCCC1(C)CC1 393350121 VSYDVUYHYWFSQU-ZJUUUORDSA-N 167.296 2.422 0 20 AEAD C[C@@H]1C[C@H](NCC2CC=CC2)[C@@H](C)O1 527745275 RFSWGSMDBFBAKW-FOGDFJRCSA-N 195.306 2.108 0 20 AEAD CC[C@H](SC1CCC1)C(=O)OC 590740054 QPXFNWOBDIMUGB-QMMMGPOBSA-N 188.292 2.224 0 20 AEAD CCC(CC)CNC(=O)c1cc[nH]c1 597779581 CRNOGOYZGXMHMA-UHFFFAOYSA-N 194.278 2.181 0 20 AEAD O=C(C1CCC1)N1CCC2(CC1)CC2 598896554 JILNUFLXLBGAJZ-UHFFFAOYSA-N 193.290 2.189 0 20 AEAD C[C@H](CO)SC1CC(C)(C)C1 601078746 QDXBWPHKSNVIAB-SSDOTTSWSA-N 174.309 2.289 0 20 AEAD CC[C@H](C)N1N=C([C@H](C)CC)CC1=O 634623645 LOJPYYSLPAPVEN-BDAKNGLRSA-N 196.294 2.419 0 20 AEAD C[C@@H](CF)N[C@@H]1CCC12CCC2 639182908 MGJMQHLQCGMZNJ-DTWKUNHWSA-N 171.259 2.267 0 20 AEAD CCCCCNC(=O)[C@@]12CCC[C@@H]1C2 643298264 FACOXGVHHCLCNB-ZYHUDNBSSA-N 195.306 2.483 0 20 AEAD CC[C@@H]1CCCC[C@H]1NCCCNC 643498491 JQAJYRHZAISRAD-VXGBXAGGSA-N 198.354 2.154 0 20 AEAD CC(C)[C@H](O)CN1CCCC[C@H](C)C1 645001333 AGIMFZSQKLQCEM-NWDGAFQWSA-N 199.338 2.125 0 20 AEAD COCCCN1CC[C@@H]2CCCC[C@@H]21 645954859 WKZNBIBTKILWBS-RYUDHWBXSA-N 197.322 2.287 0 20 AEAD Cc1nocc1CN(C(C)C)C1CC1 646059411 RIANLXAAKUCIBB-UHFFFAOYSA-N 194.278 2.356 0 20 AEAD CCc1cc(N2CC[C@@H](C)C2)ccn1 649262278 YCVXOFAQFPVJDE-SNVBAGLBSA-N 190.290 2.490 0 20 AEAD CC/C=C\CNC(=O)C1(C)CCC1 650824734 FJTRZZPXORGUSX-PLNGDYQASA-N 181.279 2.259 0 20 AEAD Cc1ccc(N2CCC(C)(C)C2)nn1 663670022 FCMGGHDNOJBYKB-UHFFFAOYSA-N 191.278 2.021 0 20 AEAD CC(C)[C@H](N)CN[C@@H](C)CC1CCC1 666741305 POCSXOUJIRMCNQ-CMPLNLGQSA-N 198.354 2.138 0 20 AEAD CCC[C@@H](C)N(C)c1ncc(F)cn1 676562544 RJRNXCSSAMFHNC-MRVPVSSYSA-N 197.257 2.241 0 20 AEAD CC/C=C/CCN1CCOC(C)(C)C1 681020263 YTEMBVJANWJXKC-AATRIKPKSA-N 197.322 2.454 0 20 AEAD CC[C@H]1[C@@H](C)CCN1CC1(C)COC1 681470149 PROLMMDVCQRZFH-QWRGUYRKSA-N 197.322 2.143 0 20 AEAD C[C@@H]1CCN(CC[C@H]2CCOC2)[C@@H]1C 682156242 LJBODIPPOMBUBY-UTUOFQBUSA-N 197.322 2.143 0 20 AEAD NCCCCNC1CCC2(CC1)CC2 695660543 RDRVIBOJROVJET-UHFFFAOYSA-N 196.338 2.038 0 20 AEAD CCC(=N)NOCc1cccc(F)c1 742580411 FTTMWESWAMBXRU-UHFFFAOYSA-N 196.225 2.234 0 20 AEAD C[C@H]1CC/C(=C/C(=O)NCC2CC2)C1 753575974 BVQWTAOAVBVTTB-MKVDPYIPSA-N 193.290 2.259 0 20 AEAD C=C=CCNC(=O)/C=C(/C)C(C)(C)C 816699096 YEFINXUWDIDGOI-KTKRTIGZSA-N 193.290 2.436 0 20 AEAD CN(Cc1ccc(F)nc1)C(C)(C)C 843431214 OPTQEWONFQCDOO-UHFFFAOYSA-N 196.269 2.451 0 20 AEAD CC[C@H](C)CONc1cc(F)ncn1 853642279 JAWGXSBYGJSDJX-ZETCQYMHSA-N 199.229 2.005 0 20 AEAD CC/C=C(\C)C(=O)N1CC[C@@H]2C[C@@H]2C1 856057896 BYEKNSTZXGKSHD-MJMLHWTPSA-N 193.290 2.211 0 20 AEAD C=C/C=C\CCn1ccc(C(C)=O)n1 877879792 PRMVSOIZWPKNLA-PLNGDYQASA-N 190.246 2.218 0 20 AEAD Cc1ccc(-c2cnn(C)n2)c(C)c1 904858269 VUXKOLIIINSXEN-UHFFFAOYSA-N 187.246 2.099 0 20 AEAD CCCNC(=O)CCC1(C)CC1 929222094 WNNRVVYIXPRQRM-UHFFFAOYSA-N 169.268 2.093 0 20 AEAD CC[C@H](F)C(=O)NCCC1(C)CC1 1335940358 LVWJKEROKSSIMD-QMMMGPOBSA-N 187.258 2.041 0 20 AEAD O=C(Oc1cccc(F)c1)[C@@H]1C[C@@H]1F 1341999373 KBIVFORIMYUCED-BDAKNGLRSA-N 198.168 2.089 0 20 AEAD C[C@H](OC(=O)[C@H]1C[C@H]1F)c1ccco1 1342992203 UNTFDMNSIXKTES-BIIVOSGPSA-N 198.193 2.242 0 20 AEAD Cc1nc(Cl)c2cc(F)cnc2n1 1857776399 HVOZPZFBSRJZJD-UHFFFAOYSA-N 197.600 2.126 0 20 AEAD CC(=O)c1c(C)oc(C)c1C(C)=O 436649 RAASFOAHTSHSKN-UHFFFAOYSA-N 180.203 2.302 0 20 AEAD Cc1cc(C)nc(NC(=O)C(C)C)c1 5394247 ZXWQRTKYCKYHCS-UHFFFAOYSA-N 192.262 2.293 0 20 AEAD CCc1ccc(OCCCO)cc1 19786145 BMPUMNWFFBWMGJ-UHFFFAOYSA-N 180.247 2.010 0 20 AEAD CC(=O)c1cnc(C)cc1Cl 31776998 LUSPRLHZWCQCPL-UHFFFAOYSA-N 169.611 2.246 0 20 AEAD C[C@H](CC(=O)O)Oc1cccc(F)c1 34363191 KSEGLWDXBRQLSR-SSDOTTSWSA-N 198.193 2.068 0 20 AEAD CCCCC(=O)NCC1CCCC1 36112660 PHNRAUQTUDMYMS-UHFFFAOYSA-N 183.295 2.483 0 20 AEAD Cc1n[nH]cc1CNCCCC(C)C 38093622 KVPYIGFANSWJGY-UHFFFAOYSA-N 195.310 2.244 0 20 AEAD CCNCc1nccc2ccccc12 43512598 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UEKJMDCXARSVHK-UHFFFAOYSA-N 189.258 2.158 0 20 AEAD Cc1oncc1NCC1C[C@H]2C[C@@H]2C1 638974504 QBCSHFZRACIZSO-UWVGGRQHSA-N 192.262 2.441 0 20 AEAD CC[C@@H](C)CCNCc1ncc(C)[nH]1 657586865 NEIDKUQYUCDDHF-SECBINFHSA-N 195.310 2.244 0 20 AEAD FC(F)(F)CCN1CC[C@@H]2C[C@H]2C1 661965784 AEGBZWXYNJVDCP-SFYZADRCSA-N 193.212 2.281 0 20 AEAD C[C@@H](C1CC1)N(C)Cc1ccn(C)c1 678144154 FHSPJQGBBOWMBG-JTQLQIEISA-N 192.306 2.255 0 20 AEAD CC/C=C/CCN(C)C[C@@H](O)C1CC1 681025024 OJJMLZFZXYUBKY-ZYOFXKKJSA-N 197.322 2.045 0 20 AEAD CC[C@@H]1COC[C@@H]1NC[C@H]1CC1(C)C 699474890 WEEUWGLZBIEJRO-MXWKQRLJSA-N 197.322 2.047 0 20 AEAD CC[C@@H](C)[C@H](C)N(CCO)CC1CC1 708489616 CHXOZNIELKDNIG-MNOVXSKESA-N 199.338 2.125 0 20 AEAD Fc1c[nH]ccc1=NC[C@H]1C=CCC1 711669197 QEDBNJDPYUJMJE-VIFPVBQESA-N 192.237 2.021 0 20 AEAD C[C@H]1CN(C(=O)C2CCC2)C(C)(C)C1 746659926 YWBCDAVOQJXXLR-SECBINFHSA-N 195.306 2.434 0 20 AEAD CC(C)COC(=O)c1cncc(F)c1 759419763 HOWLRCKIYRDYSB-UHFFFAOYSA-N 197.209 2.034 0 20 AEAD C/C=C/COC(=O)c1c(C)ccn1C 784293309 VQRUKNNIGDQAAF-SNAWJCMRSA-N 193.246 2.066 0 20 AEAD CCC/C=C\C(=O)NOC[C@@H](C)CC 816978012 LGNUUIJBOZZPSG-DMEOUFDRSA-N 199.294 2.437 0 20 AEAD C/C=C(/C=C/C(=O)NOCCC)CC 844086032 LAKRPESCYDTRGQ-LZIZUESTSA-N 197.278 2.357 0 20 AEAD CC(=O)NCc1cccc(C(F)F)c1 1343176404 BTUCIZUAOAPNFP-UHFFFAOYSA-N 199.200 2.260 0 20 AEAD CCC1(CNC(=O)[C@@H]2C[C@H]2F)CCC1 1517790754 KPXPAECEPXLJGB-RKDXNWHRSA-N 199.269 2.041 0 20 AEAD CCCNC(=O)CCC1CCCC1 6043286 JFVXRMBZMVMSAZ-UHFFFAOYSA-N 183.295 2.483 0 20 AEAD c1coc(-c2ccncc2)c1 32188813 ZKFCBMREQURXHM-UHFFFAOYSA-N 145.161 2.342 0 20 AEAD in-vitro CC(C)N(CCC(=O)O)C1CCCC1 37474325 VGQOIIQRAWAPDC-UHFFFAOYSA-N 199.294 2.114 0 20 AEAD FC(F)CNCc1cccs1 37895155 GEAWCEKELNADLM-UHFFFAOYSA-N 177.219 2.103 0 20 AEAD CC[C@H](C)NCc1ccoc1C 38065451 WTLRCJHHNBICJX-QMMMGPOBSA-N 167.252 2.476 0 20 AEAD C[C@@H](CCN)c1ccccc1F 41168133 LMMHBTJOUBWIRQ-QMMMGPOBSA-N 167.227 2.278 0 20 AEAD CC(C)C[C@H](N)c1ccco1 43607222 WKIHQEHSPNGNAF-QMMMGPOBSA-N 153.225 2.326 0 20 AEAD CC1(C)C[C@@H]1Nc1ccccn1 44368355 MQHXIEXTKUDECV-QMMMGPOBSA-N 162.236 2.292 0 20 AEAD CCC[C@@H](CC)NCc1ncccn1 54459723 DFLFGJDPJWAGEY-SNVBAGLBSA-N 193.294 2.145 0 20 AEAD CCc1nnc(-c2ccccc2F)o1 64556911 XFBZOJZIISBXFU-UHFFFAOYSA-N 192.193 2.438 0 20 AEAD C/C=C/C(=O)N[C@@H]1CCCC[C@H]1C 82551577 NJLHHXRGGLBLDF-KJMWJQJQSA-N 181.279 2.257 0 20 AEAD C[C@H](CC(=O)O)NCC1(C)CCCC1 82625540 CXRKLNMEFYPGFS-SECBINFHSA-N 199.294 2.020 0 20 AEAD CCCc1nsc(NC2CCC2)n1 83668488 MJRUXTNPLYGCNB-UHFFFAOYSA-N 197.307 2.455 0 20 AEAD CCC(=O)N1CCC[C@H]2CCC[C@H]21 83702629 ZZQYHCMIGFRQKP-NXEZZACHSA-N 181.279 2.188 0 20 AEAD CC(C)OC(=O)[C@H]1Cc2ccccc21 85577414 RFLCEXTWZMFKLI-NSHDSACASA-N 190.242 2.278 0 20 AEAD CC(C)CN(C[C@H](C)O)C1CCCC1 87286785 PPOOEFYHMCIMBV-NSHDSACASA-N 199.338 2.268 0 20 AEAD C[C@H](Cc1cccs1)NCCF 87775156 LJXCVJCALNJWIN-MRVPVSSYSA-N 187.283 2.238 0 20 AEAD Nc1ccc(OC2CC2)c(Cl)c1 95737497 LOCCBDPIEKLUFN-UHFFFAOYSA-N 183.638 2.463 0 20 AEAD c1nn2cc(C3CCCC3)nc2s1 95884074 OAHRLDRMSIYJLQ-UHFFFAOYSA-N 193.275 2.448 0 20 AEAD in-vitro Cc1ccc(C(=O)O)c(Cl)c1O 107173208 FFSHREJSKSAWDX-UHFFFAOYSA-N 186.594 2.052 0 20 AEAD CC(C)(N)CCN[C@@H]1CCC(C)(C)C1 129574677 DSYJCUHQBKZOGP-SNVBAGLBSA-N 198.354 2.282 0 20 AEAD COC(=O)CCCCCCC(C)=O 139316631 VEGNIXGAQNVYTP-UHFFFAOYSA-N 186.251 2.089 0 20 AEAD CC[C@@H](C)[C@@H](C)Nc1cc(F)ncn1 150016676 RXFWAKSIBYJOGG-HTQZYQBOSA-N 197.257 2.462 0 20 AEAD CC(C)CCCNCCCNC1CC1 163443600 JEKSASSOXWNYPT-UHFFFAOYSA-N 198.354 2.154 0 20 AEAD CCO[C@]1(CN)CC[C@@H](C)[C@@H](C)C1 228090054 YHGLDBVUCXRCSK-OUAUKWLOSA-N 185.311 2.177 0 20 AEAD CC(C)CCCNC1CCC(O)CC1 230350468 XNHOFUIRXHBGLH-UHFFFAOYSA-N 199.338 2.316 0 20 AEAD CO[C@@H]1CCC[C@H]1N[C@H](C)CC1CC1 252716655 ZAOYAZMQLYLWNN-YUSALJHKSA-N 197.322 2.332 0 20 AEAD CON(C)c1nc2ccccc2s1 306216394 IXGWVXFPPKMFFV-UHFFFAOYSA-N 194.259 2.294 0 20 AEAD CC(C)=CCNC(=O)C1=CCCC1 306232055 LECCRAZXDUXPCW-UHFFFAOYSA-N 179.263 2.179 0 20 AEAD C[C@H]1CCCN(CCCF)C1 306466324 PGHUPNGQLFXJBZ-VIFPVBQESA-N 159.248 2.078 0 20 AEAD CC[C@H](C)N1CC=C(C)CC1 306481537 LMURSYGTLFDJIA-JTQLQIEISA-N 153.269 2.437 0 20 AEAD C[C@H]1CCN([C@@H]2CCCC[C@H]2O)[C@@H]1C 306566124 YKXUOCYVKVNKJX-IRCOFANPSA-N 197.322 2.020 0 20 AEAD C[C@@H]1CC[C@@H]1NCc1ccc(O)cc1 306662504 PSRMMOFAKYGRPH-SKDRFNHKSA-N 191.274 2.280 0 20 AEAD Cc1nsc(N2CCC(C)(C)C2)n1 306791497 XWIBDBBRIBLWGG-UHFFFAOYSA-N 197.307 2.083 0 20 AEAD C[C@@H](CF)N[C@H]1CC[C@@H](C)C1 306833016 PFDHDENSMLRYGC-VGMNWLOBSA-N 159.248 2.123 0 20 AEAD CC1CCC([C@H](O)c2cn[nH]c2)CC1 306886429 PIDJSQRODNRRQM-AMUVOQDHSA-N 194.278 2.269 0 20 AEAD c1ccc(S[C@H]2CCCOC2)nc1 307020199 SQXUWUPJXIBYQO-VIFPVBQESA-N 195.287 2.353 0 20 AEAD CC1(CN2CCC[C@](C)(O)C2)CCC1 307073802 AIFPJHVVDXXDFR-LBPRGKRZSA-N 197.322 2.023 0 20 AEAD Cc1ccoc1CNC(=O)C(C)(C)C 307132026 VAWAIGFWAYMVRI-UHFFFAOYSA-N 195.262 2.250 0 20 AEAD Cc1noc(C)c1N(C)CC(C)C 307264331 FJVFVAMNLPMDJU-UHFFFAOYSA-N 182.267 2.384 0 20 AEAD CC1(C)CC[C@H]1NC[C@H]1CCC=CO1 307306271 JNKLCYLAIAEGNL-GHMZBOCLSA-N 195.306 2.457 0 20 AEAD C[C@@H]1CC[C@@H](NC[C@]2(C)CCOC2)C1 307476829 AKAUHGRIYIYACN-UTUOFQBUSA-N 197.322 2.191 0 20 AEAD C[C@@H]1CSC[C@H]1NCc1ccco1 307505648 LDZAQDVIIVELRS-PSASIEDQSA-N 197.303 2.121 0 20 AEAD COCCCCN[C@@H]1CCC1(C)C 308137318 JBNCJEQNPOUNFE-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD COc1ncccc1OCC(C)C 308158723 CLKZGLUFUHABOG-UHFFFAOYSA-N 181.235 2.125 0 20 AEAD CC(C)(NCCCO)C1CCCCC1 308504673 IDZONDIRWXCSAU-UHFFFAOYSA-N 199.338 2.317 0 20 AEAD CCCN(CC)C[C@H]1CCC=CO1 308505688 ZDFCBEUIQXZWOX-LLVKDONJSA-N 183.295 2.411 0 20 AEAD CC[C@@H](C)CN[C@@H](C)c1nnc(C)o1 308574686 DASRRRVRHIYWPJ-SFYZADRCSA-N 197.282 2.075 0 20 AEAD C[C@@H](CO)NC[C@@H]1CCCC(C)(C)C1 308675264 VZSYYTANKNQIOB-WDEREUQCSA-N 199.338 2.173 0 20 AEAD C[C@@H](NCC1CCC1)[C@@H]1CCCOC1 308681578 XTOAYYCBZGHVDE-ZYHUDNBSSA-N 197.322 2.191 0 20 AEAD CN(C(=O)[C@]12CCC[C@@H]1C2)C(C)(C)C 335450168 LLXUADDAWYVGNQ-SKDRFNHKSA-N 195.306 2.434 0 20 AEAD CCN1CCC[C@H]2CCC[C@@H]21 335492166 HTABVGJDRHJBJF-ZJUUUORDSA-N 153.269 2.271 0 20 AEAD C[C@H]1CCSCCN1CC1CC1 335574118 YBNCRNKXCCRZOL-VIFPVBQESA-N 185.336 2.224 0 20 AEAD CC[C@]1(C)CCCN([C@@H](C)C(=N)O)C1 335829416 XALFYIAJXKOIPO-GXSJLCMTSA-N 198.310 2.422 0 20 AEAD CO[C@H]1CCN(C2CCCC2)C[C@@H]1C 336257878 XYOPZJXYQOKYAW-JQWIXIFHSA-N 197.322 2.286 0 20 AEAD O=C(N[C@H]1C=CCCC1)c1ccoc1 336349881 QMOUVTPTYXQGTP-JTQLQIEISA-N 191.230 2.118 0 20 AEAD CC[C@H](N[C@@H]1CC[C@H]1CC)C(C)(C)O 378934533 YTXOQMQDCQTJMJ-MXWKQRLJSA-N 199.338 2.314 0 20 AEAD CCC(CC)(CC)SCC(N)=O 388397705 KHMQQYTXJIJVGA-UHFFFAOYSA-N 189.324 2.174 0 20 AEAD CCCCN(C)[C@@H](C)CCOC 388409774 WVXSWJHYNSCHDM-JTQLQIEISA-N 173.300 2.143 0 20 AEAD COC[C@@H](CC(C)C)NCC1CC1 393712447 CWHNAKZKSWOJBJ-LLVKDONJSA-N 185.311 2.047 0 20 AEAD CC(C)[C@H](C)N[C@H](C)c1csnn1 398331997 NQNNGJFNOLYBRZ-JGVFFNPUSA-N 199.323 2.233 0 20 AEAD C1CC1NC[C@H]1CC[C@@H]2C[C@@H]2C1 403597233 FZPBDLABMHPHGY-AEJSXWLSSA-N 165.280 2.175 0 20 AEAD CNC[C@H](F)CC1CC(C)(C)C1 575623354 LVQHWLDVKOROML-SECBINFHSA-N 173.275 2.370 0 20 AEAD CCCCC(=O)N[C@]12CCC[C@H]1C2 617202518 PTINVFFHXNFDBU-ONGXEEELSA-N 181.279 2.235 0 20 AEAD CCN(CCCOC)CC(C)(C)C 643409808 PZYJSUNTPBRPCD-UHFFFAOYSA-N 187.327 2.391 0 20 AEAD C[C@H]1[C@H](C)CCC[C@H]1CNC[C@@H](C)O 644637051 JYYQQLUTGSGLAG-WYUUTHIRSA-N 199.338 2.029 0 20 AEAD CC(C)C1(NC[C@H]2C[C@H]2C)CC1 646251132 UWMNYIFHKRJAHZ-NXEZZACHSA-N 167.296 2.421 0 20 AEAD CC(C)N(C1COC1)[C@H]1C=CCCC1 649694083 QFSOBEDJQSWNCC-NSHDSACASA-N 195.306 2.204 0 20 AEAD COCCCN1[C@@H](C)CCC1(C)C 650286440 IZIXDAXEBMQZEM-JTQLQIEISA-N 185.311 2.286 0 20 AEAD CC(C)[C@@H]1C[C@H]1CNC(=O)C(C)(C)C 653966467 NGWWNZWHWOOJRW-UWVGGRQHSA-N 197.322 2.441 0 20 AEAD CCO[C@H]1C[C@@H](NC2CCCC2)C1 656872996 VGOPGPAHMBONMA-PHIMTYICSA-N 183.295 2.086 0 20 AEAD CCC[C@H](C)[C@H](CC)NC/C=C\CO 658131815 DQLNZQBUHWPENK-MVSYMCDOSA-N 199.338 2.339 0 20 AEAD C[C@H]1OCCN(CCC2CCC2)[C@@H]1C 660010068 FJRHFQQKZRBFOK-GHMZBOCLSA-N 197.322 2.286 0 20 AEAD O=C(C1CCCC1)N1CCC[C@H]2C[C@@H]21 672136329 UYUDXYLQSKSKJV-QWRGUYRKSA-N 193.290 2.188 0 20 AEAD CCOCCN1CCC[C@H](C2CC2)C1 677031123 YIDSHHQRIDAKBD-LBPRGKRZSA-N 197.322 2.145 0 20 AEAD Cc1ccc(CN2CC=CCC2)nc1 679324562 WYIPGGYWENYMKR-UHFFFAOYSA-N 188.274 2.152 0 20 AEAD CC/C=C\CCN1CCC(CO)CC1 681019424 MXNVCVZAFLLLGU-ARJAWSKDSA-N 197.322 2.047 0 20 AEAD CC[C@@H](O)CN1CCC[C@@H](C(C)C)C1 682042887 WNCWXEBOEDGBBP-VXGBXAGGSA-N 199.338 2.125 0 20 AEAD CC[C@]1(CO)CCCN1CC1CCC1 682222205 JEDOYPVULKXGDQ-GFCCVEGCSA-N 197.322 2.023 0 20 AEAD CC[C@@H]1COC[C@@H]1N[C@H]1CCC[C@@H]1C 699473343 SGXACULALOCXCT-USZNOCQGSA-N 197.322 2.190 0 20 AEAD C=C/C=C/CCNCc1ccn(C)c1 713480861 IIGUYUYOVKRJRO-SNAWJCMRSA-N 190.290 2.247 0 20 AEAD C/C=C/C=C\C(=O)N[C@@H]1CC=CCC1 736055676 WQGBCZHCIIPTHZ-JVENCEROSA-N 191.274 2.344 0 20 AEAD CCC[C@H](C)OC(=O)c1ocnc1C 750927821 IAEDREHUVAJHFG-ZETCQYMHSA-N 197.234 2.328 0 20 AEAD C[C@@H](CNC(=O)C=C1CCC1)C1CC1 755231245 CAPJAUNQMLSWDE-VIFPVBQESA-N 193.290 2.259 0 20 AEAD CC(C)CCN1CCCc2n[nH]cc21 798182154 BQIJCLJHQHZEFR-UHFFFAOYSA-N 193.294 2.208 0 20 AEAD CC/C(C)=C\C(=O)N(C)CC(C)C 822432839 NHQLZBQAVOHTIJ-YFHOEESVSA-N 183.295 2.457 0 20 AEAD CC(C)=CC(=O)N(C)C[C@H]1CC1(C)C 856460883 OWLLMJQQUCMXQO-SNVBAGLBSA-N 195.306 2.457 0 20 AEAD CCC[C@H](C)N(C)C(=O)OCCF 858900751 ZGVXIJTWUMOQOZ-QMMMGPOBSA-N 191.246 2.213 0 20 AEAD C[C@@H]1CN(CCF)C[C@@H](C)C1(F)F 859413573 NHRNFRPYRAUPGW-HTQZYQBOSA-N 195.228 2.179 0 20 AEAD CCC(=O)OCc1cnc(C2CC2)o1 861376843 FOAUOLKQIJULDZ-UHFFFAOYSA-N 195.218 2.005 0 20 AEAD CS/C=C/C(=O)N(C1CC1)C1CC1 862852287 IKJXAOMKKNHDRP-VOTSOKGWSA-N 197.303 2.017 0 20 AEAD C[C@H]1CCC[C@@H]1Nc1ccc(F)nn1 865511471 GDYWIUSTUCCXCF-YUMQZZPRSA-N 195.241 2.216 0 20 AEAD CC/C=C(\C)C(=O)N[C@H]1CC12CCC2 874787094 RJKMGTIBFZLMOZ-CYNRKNSPSA-N 193.290 2.402 0 20 AEAD CC(C)[C@@H](F)C(=O)N[C@@]12CCC[C@@H]1C2 887034615 DJUYATQCMREWDN-FXPVBKGRSA-N 199.269 2.039 0 20 AEAD Cc1nc(Cl)n(CC2CC=CC2)n1 919752361 MTCLLAUGGZGSMZ-UHFFFAOYSA-N 197.669 2.206 0 20 AEAD CCC[C@H](O)CCNC[C@H](C)CC 922820972 NIOYPWKPGMQQFH-MNOVXSKESA-N 187.327 2.173 0 20 AEAD 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197.303 2.378 0 20 AEAD CC(C)=CCCN[C@@H]1C[C@@H](O)C1(C)C 379638782 SQAPZDPUJIRMBW-GHMZBOCLSA-N 197.322 2.092 0 20 AEAD CC/C=C/CN[C@@H]1CCO[C@@H](CC)C1 384710776 DJPABASGWQQKKO-AIIUZBJTSA-N 197.322 2.500 0 20 AEAD FC1(F)CC(CNCC2CC2)C1 388425493 KELQILXQBWBKGL-UHFFFAOYSA-N 175.222 2.031 0 20 AEAD c1cc(CSC[C@H]2CCCO2)no1 393548154 LDQLWKDYRYUJDW-SECBINFHSA-N 199.275 2.087 0 20 AEAD CC(C)CC[C@H](CO)NCC(C)C 394034242 KSRWDXKUHCDHBV-LLVKDONJSA-N 187.327 2.029 0 20 AEAD CC[C@@H](NCCOC)[C@H]1CC1(C)C 397675354 IVDFWRHWAGQRCS-NXEZZACHSA-N 185.311 2.047 0 20 AEAD C[C@@H](CC(=O)NC1CC1)c1ccco1 527644065 AWAXUZLRCMODSG-QMMMGPOBSA-N 193.246 2.052 0 20 AEAD COCCCN1[C@@H](C)CCC[C@@H]1C 595571650 MTAGZGANFLQGFN-QWRGUYRKSA-N 185.311 2.286 0 20 AEAD CCCCCN1CCCC[C@H]1[C@H](C)O 605150803 GOLIPXCCOVQKFX-RYUDHWBXSA-N 199.338 2.412 0 20 AEAD CC1(C)C[C@]1(C)NC(=O)c1ccco1 606265913 MECFCLSTXDPRCE-NSHDSACASA-N 193.246 2.198 0 20 AEAD CN(CC1CCCC1)CC1(C)COC1 608493787 GIUILONPBWBPPD-UHFFFAOYSA-N 197.322 2.145 0 20 AEAD C[C@H]1CCCN(CC2(C)COC2)[C@H]1C 608497953 DCXFIAURFHHKBG-QWRGUYRKSA-N 197.322 2.143 0 20 AEAD CCN(C)[C@H](CCO)c1ccccc1 608501612 GHPZHBBJHCCYES-GFCCVEGCSA-N 193.290 2.062 0 20 AEAD CCC(CC)(CC)C(=O)N1CCOC1 615762031 CFJVNFCFAICSEZ-UHFFFAOYSA-N 199.294 2.019 0 20 AEAD CC(C)(C)C(=O)NCC1=CCCC1 620002178 STHFLXKJCZWQAD-UHFFFAOYSA-N 181.279 2.259 0 20 AEAD C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CC1(C)C 621042699 BMDFYDIPURDFCS-KXUCPTDWSA-N 195.306 2.147 0 20 AEAD CCC[C@@H]1C[C@H]1C(=O)N(C)CC1CC1 643158350 RGJGMZAUIKJDGK-GHMZBOCLSA-N 195.306 2.291 0 20 AEAD CC[C@@H]1CC[C@@H](C)C[C@@H]1N[C@H](C)CN 643519657 IENPBDXFTUZADH-KKOKHZNYSA-N 198.354 2.138 0 20 AEAD C[C@H](N)CN[C@H](C)[C@@H]1CCCC[C@@H]1C 643529551 ABHONBIZHZXXKY-NNYUYHANSA-N 198.354 2.138 0 20 AEAD CCC(CC)NC(=O)[C@H]1C[C@@H]1C1CC1 644850551 BVIOYIWBIOQEHM-MNOVXSKESA-N 195.306 2.337 0 20 AEAD CC[C@H](C)CN1CC[C@H](CCCO)C1 648874550 VOYSXZUTIAMDAC-RYUDHWBXSA-N 199.338 2.127 0 20 AEAD CCCCCN1CC[C@@H](F)C1 649943564 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NVWJDOBATACLRH-VIFPVBQESA-N 194.278 2.157 0 20 AEAD CC[C@@H](C)N1CCC(CN(C)C)CC1 681662351 MSBUUWWLMGTOOH-LLVKDONJSA-N 198.354 2.059 0 20 AEAD CC[C@H]1CN(CCC2CC2)CCCO1 685006872 CPUFHLSAWFHBNX-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CCC[C@@]1(CO)CCN(CC(C)C)C1 685057074 BRMVAXIIOLUFKM-GFCCVEGCSA-N 199.338 2.127 0 20 AEAD CC[C@@H]1[C@H]([C@H]2CCCCN2)C1(F)F 719064152 GJVLIGAXGCWTTR-IWSPIJDZSA-N 189.249 2.420 0 20 AEAD C/C(=C\C(=O)NCC1(C)CC1)C1CC1 752387200 OCCWOFKCIGYLHY-VQHVLOKHSA-N 193.290 2.259 0 20 AEAD O=C(OCCC1CC1)C1[C@@H]2CCC[C@@H]12 776692547 QORPHNJVGCSMAC-NXEZZACHSA-N 194.274 2.376 0 20 AEAD CCc1cccc(N[C@H](C)CCO)c1 779417867 RHCPMXMOGBCTAX-SNVBAGLBSA-N 193.290 2.432 0 20 AEAD C[C@H]1CCOCCN1CC1(C)CCC1 814631124 VBHRZEKLMCLIJL-NSHDSACASA-N 197.322 2.287 0 20 AEAD CC[C@H](OC(C)=O)c1ccncc1 839006425 VEHWUCIDDNINLO-JTQLQIEISA-N 179.219 2.096 0 20 AEAD CCCOCS[C@H]1CCO[C@H]1C 863313784 UMHOTOFXQZAWKA-IUCAKERBSA-N 190.308 2.281 0 20 AEAD C[C@@H](NC/C=C\Cl)c1ncco1 886528474 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CC[C@H](O)CN[C@@H]1CCC[C@@H](C)[C@@H]1C 225098796 SCHUMTDWUQUKBI-NOOOWODRSA-N 199.338 2.172 0 20 AEAD Cc1cncc(NCC2CC2)c1 227603768 WJSNWAJHDIXSPW-UHFFFAOYSA-N 162.236 2.212 0 20 AEAD CC(C)(NCc1cccnc1)C1CC1 230674785 HTWGOZFXWNSQOW-UHFFFAOYSA-N 190.290 2.360 0 20 AEAD CC[C@H](C)[C@@H](C)NC[C@H](C)CCO 251781581 JCZVIVZYLGRSFZ-OUAUKWLOSA-N 187.327 2.029 0 20 AEAD CC[C@H](O)CN[C@@H]1C[C@H](C)CC[C@@H]1C 253012775 DOBODWXEMJPPLC-NOOOWODRSA-N 199.338 2.172 0 20 AEAD C[C@@H]1COCC[C@H]1NC1CCCCC1 300923603 ZUCNCCJSZFTWHO-ZYHUDNBSSA-N 197.322 2.334 0 20 AEAD CCc1[nH]nc(NC[C@H]2C[C@H]2C)c1C 306554065 BRTFUNBQSJUZOW-VXNVDRBHSA-N 193.294 2.348 0 20 AEAD CC(C)NCC1(F)CCCC1 306610320 FBKFYULKZBRDAB-UHFFFAOYSA-N 159.248 2.267 0 20 AEAD CC[C@@H](NC[C@@H]1CCCO1)C1CCC1 322721755 TYTJYBKPFBTGRX-NWDGAFQWSA-N 197.322 2.334 0 20 AEAD CC[C@H](N[C@H](C)[C@@H](C)OC)C1CC1 324155344 MPINDJXHIGEJRN-KKZNHRDASA-N 185.311 2.188 0 20 AEAD CC[C@@H](C)NC(=O)N[C@H]1CC=CCC1 334435287 ZBVMCJBYRNMENL-ZJUUUORDSA-N 196.294 2.193 0 20 AEAD C=Cc1ccc(C(=O)NC2CC2)cc1 336119292 XGIMUDUIQHWLKS-UHFFFAOYSA-N 187.242 2.222 0 20 AEAD CCN1CCOc2c(F)cccc2C1 336149762 RAVNXMKQTGKIFR-UHFFFAOYSA-N 195.237 2.040 0 20 AEAD CCC1(NC(=O)C2CC(C)(C)C2)CC1 336306798 UIAGVVHPKRYNNI-UHFFFAOYSA-N 195.306 2.481 0 20 AEAD CC/C=C\CN[C@H]1CCSC1 384962701 HMEXFKWBUXWHAS-TYRPZCRBSA-N 171.309 2.048 0 20 AEAD CCC(=O)OCc1cccc(Cl)n1 388679615 ZVUYYSDRFLBCLM-UHFFFAOYSA-N 199.637 2.188 0 20 AEAD CCC[C@@H](CNC/C=C\Cl)OC 393976834 WXCAIKJQMPYXTM-RNEXMXFGSA-N 191.702 2.144 0 20 AEAD CN(C[C@@H]1CC=CCC1)CC(C)(C)O 402368585 ZQMPUXUBAVQNOK-LLVKDONJSA-N 197.322 2.045 0 20 AEAD C[C@H]1CCC[C@@H](C)[C@]1(N)c1ncc[nH]1 521402074 UAWOZFJRPIYRQW-DOFRTFSJSA-N 193.294 2.020 0 20 AEAD CCC[C@@H](NC(C)=O)c1ccccn1 591228279 DSLYVANDTHEFHT-LLVKDONJSA-N 192.262 2.059 0 20 AEAD CCN(CCCCF)CCSC 592203085 ZNRBQKPAUYVECL-UHFFFAOYSA-N 193.331 2.421 0 20 AEAD COC[C@@H]1CCN(CC2CCCC2)C1 606897758 GCOYOYZZNJTFJW-GFCCVEGCSA-N 197.322 2.145 0 20 AEAD CC[C@H](C)C[C@H](C)NC(=O)N1CCC1 608721645 FDAUACNAHNZRMC-UWVGGRQHSA-N 198.310 2.226 0 20 AEAD CCC[C@@H](CC)NC(=O)NCC1CC1 620963113 VHAWSXWSMNRMDH-SNVBAGLBSA-N 198.310 2.274 0 20 AEAD CO[C@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C)C1 624296638 BVOUNDUQOGNEPM-FIQHERPVSA-N 197.322 2.332 0 20 AEAD CCC[C@@H](CN1CC(C(C)C)C1)OC 639118222 OYLFYQWGQFBLDD-LBPRGKRZSA-N 199.338 2.389 0 20 AEAD CCC[C@@]1(C)CCCN(C[C@H](C)N)C1 647886000 BPDRTLXYBHAWKM-RYUDHWBXSA-N 198.354 2.236 0 20 AEAD CC/C=C/CN[C@@H](C)C1CCOCC1 648716781 WHOYGLJZSXQTEK-ZWNMCFTASA-N 197.322 2.357 0 20 AEAD CC[C@H](COC)NCCC(C)(C)F 658192652 OXAHERNIXOZMFI-SECBINFHSA-N 191.290 2.139 0 20 AEAD Cc1occc1CN[C@@H](C)CF 666376457 UIHJLQJQBVCONO-ZETCQYMHSA-N 171.215 2.036 0 20 AEAD CC[C@H](C)CNC[C@H](C)CCOC 666409534 NBBYBXPVENUEGB-WDEREUQCSA-N 187.327 2.295 0 20 AEAD CCCCN(C)C1CCC(CO)CC1 675277434 YMWBHOFBLARTRH-UHFFFAOYSA-N 199.338 2.269 0 20 AEAD CCCCNC(=O)N1CC[C@@H]1C(C)C 678809275 NJBLDMFKRJFMPQ-SNVBAGLBSA-N 198.310 2.226 0 20 AEAD 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CCN(CC[C@H]1CCOC1)CC(C)C 682151563 QHLSCJHGOSPIOB-LBPRGKRZSA-N 199.338 2.391 0 20 AEAD CCCCN1C[C@H](C2CC2)O[C@H](C)C1 684206662 MBSJQVBVRQEYPN-ZYHUDNBSSA-N 197.322 2.286 0 20 AEAD CC[C@H](C)CCN[C@@H]1COC[C@H]1C 687981420 VWAOYCZWUOMMHF-HBNTYKKESA-N 185.311 2.047 0 20 AEAD CC1(NCc2ccc(Cl)cn2)CC1 703885995 IBQSIQQJRYENPA-UHFFFAOYSA-N 196.681 2.377 0 20 AEAD CCc1noc(/C=C\c2ccco2)n1 731793450 SIRIFHJJQMJNSI-WAYWQWQTSA-N 190.202 2.395 0 20 AEAD CCCN(C)C(=O)N1CCC[C@H]1CC 772613425 VZRVWIOTENBEDP-SNVBAGLBSA-N 198.310 2.323 0 20 AEAD CO[C@@H]1CC[C@@H](N2CCCCCC2)C1 821349052 SRMWZTNDUBADLJ-VXGBXAGGSA-N 197.322 2.430 0 20 AEAD CCC[C@@H](CC)C(=O)NOC(C)C 823301961 JQWYLQFSQKKKJO-SECBINFHSA-N 187.283 2.269 0 20 AEAD Cc1sccc1C(=O)OCCF 835174383 KFFFPBMXXSELSL-UHFFFAOYSA-N 188.223 2.183 0 20 AEAD CCCC(C)(C)C(=O)NOC(C)C 846236704 BRDPOBDVUMPLQL-UHFFFAOYSA-N 187.283 2.269 0 20 AEAD Fc1cnccc1CN[C@@H]1C=CCC1 850359248 BCGTYSAWSCVDNQ-SNVBAGLBSA-N 192.237 2.029 0 20 AEAD CCC[C@@H]1CCCC[C@@H]1NC[C@H](C)N 1577377776 WYNRJMSEDDHNIT-TUAOUCFPSA-N 198.354 2.282 0 20 AEAD CCSC(=S)N1CCCC1 34265182 SMSLUFUOOPOKKE-UHFFFAOYSA-N 175.322 2.120 0 20 AEAD CCCCCCC(=O)Nc1cn[nH]c1 35237958 CRPRYZZSGDOIOC-UHFFFAOYSA-N 195.266 2.319 0 20 AEAD CC(C)[C@H](C)NCC1CCC1 37179977 UZJSYCRAVTVRAJ-VIFPVBQESA-N 155.285 2.421 0 20 AEAD Clc1ccc(CNCC2CC2)o1 37502536 ATSNGZYZRYTOQB-UHFFFAOYSA-N 185.654 2.433 0 20 AEAD CC[C@H](C)NCc1scnc1C 38065443 KMHQHTASRSWCHI-ZETCQYMHSA-N 184.308 2.340 0 20 AEAD Cc1nnc(-c2cc(F)cc(F)c2)o1 40350603 WEFLQFZRIMWYDC-UHFFFAOYSA-N 196.156 2.323 0 20 AEAD CCNCC[C@@H](C)CC 53302090 PWYDXOXQKMYSCB-QMMMGPOBSA-N 129.247 2.032 0 20 AEAD CCC(CC)NC[C@@H](C)N(C)C1CC1 53489388 OIJULBYFSRGRRE-SNVBAGLBSA-N 198.354 2.247 0 20 AEAD CSCCNc1ccncc1C 70047449 BDPWAWSSHLJBGG-UHFFFAOYSA-N 182.292 2.165 0 20 AEAD CCCCCN1CCC[C@H](CCN)C1 70074079 MKHXUXRQMHWYPU-GFCCVEGCSA-N 198.354 2.237 0 20 AEAD Cc1ccc([C@H]2OCCC[C@H]2N)cc1 72266406 YGUNMMBWGALCAF-VXGBXAGGSA-N 191.274 2.174 0 20 AEAD in-vitro CNC1C[C@H](C)C[C@@H](C)C1 78737983 LHDILKRXQQVVFM-HTQZYQBOSA-N 141.258 2.031 0 20 AEAD C[C@H](CC(N)=O)C1CCCCC1 80014098 KMPXSTSWORHPPX-MRVPVSSYSA-N 169.268 2.078 0 20 AEAD COc1cc2c(C=O)c[nH]c2cc1C 82391025 ZMUYRRQWXNXNIG-UHFFFAOYSA-N 189.214 2.297 0 20 AEAD O=C(O)c1coc2c(F)c(F)ccc12 84061258 KXQQHDGCTNMQNP-UHFFFAOYSA-N 198.124 2.409 0 20 AEAD CCO[C@@](C)(CN)CCC(C)C 85091323 BFCYQUHVEGLXGP-SNVBAGLBSA-N 173.300 2.177 0 20 AEAD C[C@H](CCCO)NC1CCCCC1 87358631 MNZWZEJJBDODNZ-SNVBAGLBSA-N 185.311 2.070 0 20 AEAD C[C@H](CNC(=O)C1CC1)C(C)(C)C 96604822 NTGULTLSQRHYSZ-MRVPVSSYSA-N 183.295 2.195 0 20 AEAD CC(C)[C@H](C)N[C@@H]1CCN(C)[C@H](C)C1 129744616 OZNDRPYUBDSWHU-GRYCIOLGSA-N 198.354 2.103 0 20 AEAD CC[C@H]1CCC[C@H]1NCc1ncc[nH]1 130511806 ISLASVCXCUVPAF-VHSXEESVSA-N 193.294 2.078 0 20 AEAD C[C@@H](NC[C@H]1CCCOC1)C1CCC1 132482765 JDJVSRPODOFVEG-GHMZBOCLSA-N 197.322 2.191 0 20 AEAD C[C@@H](NC[C@H]1CCCO1)C(C)(C)C 132899005 XZJMFQGXVYVJKA-NXEZZACHSA-N 185.311 2.190 0 20 AEAD COc1ccccc1-c1ccnn1C 143030287 KIKUUOOIRZMZAJ-UHFFFAOYSA-N 188.230 2.096 0 20 AEAD CC[C@H](NC[C@@H](C)C[C@@H](C)O)C1CC1 168113289 PUOPJEMWMQWADG-UMNHJUIQSA-N 199.338 2.172 0 20 AEAD OCCSC/C=C\c1ccccc1 206597227 YUNYRRDUTLUVID-DAXSKMNVSA-N 194.299 2.425 0 20 AEAD COC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 219490508 YIAAITFYVRDORH-HRDYMLBCSA-N 185.267 2.167 0 20 AEAD CCn1cc(-c2ccsc2)nn1 225124154 IGBHYFPHAYEOQQ-UHFFFAOYSA-N 179.248 2.027 0 20 AEAD C/C=C\C(=O)NCc1cccc(C)c1 228134491 CKCDMHJXBMPJPF-HYXAFXHYSA-N 189.258 2.187 0 20 AEAD CCN(C)C(=O)CCc1ccccc1 230824191 VZMRCYQQYXRRCJ-UHFFFAOYSA-N 191.274 2.098 0 20 AEAD CCC[C@H](C)N1CCC[C@@H]1C[C@@H](C)O 233335070 ODKCCTQJRAXXCH-QJPTWQEYSA-N 199.338 2.410 0 20 AEAD CCCOC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 249800995 RYDLYNKZUNYYKL-LPEHRKFASA-N 182.263 2.376 0 20 AEAD CC[C@H](C)[C@H](C)N[C@H](C)[C@H]1CCOC1 252715770 WQTJMAIBBKWOFA-YFKTTZPYSA-N 199.338 2.436 0 20 AEAD Cc1cc([C@H](C)N)c(C)c(C)c1O 259437248 LICQVDJVJFNCHD-VIFPVBQESA-N 179.263 2.337 0 20 AEAD CC(C)=CC(=O)N[C@@H](C)C1CCC1 300768875 XABNZFZZVGDPFW-VIFPVBQESA-N 181.279 2.257 0 20 AEAD CCCC[C@H](C)C(=O)Nc1cn[nH]c1 300904469 JFYJNJQYPXDYLS-QMMMGPOBSA-N 195.266 2.175 0 20 AEAD CC(C)NC(=O)C[C@@H]1CC[C@@H](C)C1 306217396 JUJTXUBUTFEGBO-NXEZZACHSA-N 183.295 2.337 0 20 AEAD O=C(O)/C=C/[C@@H]1C[C@H]2CC[C@H]1C2 306583165 CVZJZTLSHVMYOU-LVMSPVEESA-N 166.220 2.063 0 20 AEAD CSCN(C#N)c1ccccc1 307430968 WGASWDMTTAEHLH-UHFFFAOYSA-N 178.260 2.295 0 20 AEAD CSc1cccc(NCCO)c1C 307712033 VXVAQEBWBYFTME-UHFFFAOYSA-N 197.303 2.121 0 20 AEAD CC(=O)CSCCC(F)(F)F 307874913 NDFUIGLLULFUNQ-UHFFFAOYSA-N 186.198 2.261 0 20 AEAD CCCCCC(=O)N1CC[C@@H]1C 307977466 MHPPVNSIMSHDHQ-VIFPVBQESA-N 169.268 2.188 0 20 AEAD CC(C)CN(C)C(=O)[C@@H](F)C(C)C 308170874 ZPCRUVAYVPIZOX-VIFPVBQESA-N 189.274 2.095 0 20 AEAD CC[C@H](C)CNC[C@]1(C)CCOC1 308311578 RVJOLDFWOBCNAZ-QWRGUYRKSA-N 185.311 2.049 0 20 AEAD C/C=C/CSCc1noc(CC)n1 308363830 NDEYLEXSBKVIPV-HWKANZROSA-N 198.291 2.441 0 20 AEAD CCN(C)C(=O)C[C@H]1C=CCCC1 308442919 ZRIYTFQKZOHKBS-JTQLQIEISA-N 181.279 2.211 0 20 AEAD CC[C@H](N[C@@H](C)C1CC1)[C@H]1CCOC1 308508975 BDWYZAKLGCFQFH-DLOVCJGASA-N 197.322 2.190 0 20 AEAD C[C@H](O)CCCN[C@H]1CCC12CCC2 308590864 KGUYFUGQQJFYSL-QWRGUYRKSA-N 197.322 2.070 0 20 AEAD O=C(Nc1ccccc1)[C@H]1CC1(F)F 334667719 NGAMWYSLVSWMLA-MRVPVSSYSA-N 197.184 2.280 0 20 AEAD C[C@@H]1CCCN(C(=O)C2(C)CC2)CC1 335759842 WNUFKXOTNXHDIQ-SNVBAGLBSA-N 195.306 2.435 0 20 AEAD Fc1ccc(N2CCC[C@H](F)C2)nc1 335904131 RSFRTJLMAOQXNR-VIFPVBQESA-N 198.216 2.159 0 20 AEAD c1ccc(N2CCCC3(CC3)C2)nc1 336062067 WHMLURWWPTYQDN-UHFFFAOYSA-N 188.274 2.462 0 20 AEAD Cc1cc(CN2C[C@@H](C)[C@@H](C)C2)no1 336265203 RXHIFKYBBQHYDE-DTORHVGOSA-N 194.278 2.071 0 20 AEAD C[C@H]1CCCN(C(=O)C2(C)CC2)[C@H]1C 336414803 NCGZYRGSBSVZQW-UWVGGRQHSA-N 195.306 2.434 0 20 AEAD CCN(CCC(=O)C(C)C)C1CC1 379355152 KOXUHDADCMXBAO-UHFFFAOYSA-N 183.295 2.086 0 20 AEAD CCC1(CNC(=O)/C=C\SC)CC1 388299784 NDEGVLXZYYTVFO-DAXSKMNVSA-N 199.319 2.170 0 20 AEAD COCCSCCCOC(C)C 388381343 PREWTXOWNBXODM-UHFFFAOYSA-N 192.324 2.181 0 20 AEAD COCCCSc1nc(C)co1 388423751 JBGZTEXOEQVEKK-UHFFFAOYSA-N 187.264 2.112 0 20 AEAD CC[C@@H]1CCN([C@H](C)COC)[C@H]1C 388695185 LXIIJGJBFKVRBW-OUAUKWLOSA-N 185.311 2.142 0 20 AEAD CC[C@](C)(O)CN[C@@H](C)CCC1CC1 389203531 FQKSKCSESBMWOR-JQWIXIFHSA-N 199.338 2.316 0 20 AEAD CCCCCN1CCC[C@H](O)CC1 393498051 IDXVGHQNILXWCX-NSHDSACASA-N 185.311 2.023 0 20 AEAD CC[C@@H](C)[C@@H](CNCC1CC1)OC 394490307 QPGBPDUFCQMOJO-MWLCHTKSSA-N 185.311 2.047 0 20 AEAD CO[C@H](CNC1(C(C)C)CC1)C1CC1 400290102 WAQANLAZJDPHHU-LLVKDONJSA-N 197.322 2.190 0 20 AEAD C/C(Cl)=C\Cn1cccn1 530160824 NSNZGWUTKBNNKL-XVNBXDOJSA-N 156.616 2.026 0 20 AEAD CN(C[C@H]1CC1(C)C)C(=O)CC1CC1 621055111 VIFZFBBJUTXXGV-SNVBAGLBSA-N 195.306 2.291 0 20 AEAD CCC1(C(=O)N2C[C@H]3C[C@H]3C2)CCC1 628511436 RMKVKDWLLOLLSP-AOOOYVTPSA-N 193.290 2.045 0 20 AEAD CN(CC[C@H]1CCCO1)C(C)(C)C 646088709 RNGHJPOZDKAMBZ-SNVBAGLBSA-N 185.311 2.286 0 20 AEAD CC[C@H](N[C@H](CC)COC)C(F)F 648619286 NYKYLAQAQGTXON-SFYZADRCSA-N 195.253 2.045 0 20 AEAD CC[C@H](N[C@H]1C[C@@H](O)C1)C1CCCC1 648849416 GCDJYDFEKBZTGM-TUAOUCFPSA-N 197.322 2.068 0 20 AEAD CC1(NCc2cncs2)CC=CC1 655814002 GCEKICORSRNSGO-UHFFFAOYSA-N 194.303 2.341 0 20 AEAD CN(CCC1CCC1)Cc1ncc[nH]1 660142124 OGJRWGRSPHCGMJ-UHFFFAOYSA-N 193.294 2.032 0 20 AEAD C[C@@H]1C[C@H]1CN[C@@H]1C[C@H]1c1ccco1 666482145 RBTQPWZPGDXXQV-LMLFDSFASA-N 191.274 2.381 0 20 AEAD CNCCCN[C@@H]1CCC[C@H]1C(C)C 666808070 IMRZQPVVBMDUSY-NWDGAFQWSA-N 198.354 2.010 0 20 AEAD C[C@@H]1CCC[C@@H]1NC(=O)CCCF 668321257 PVDSVBCLEYJONH-BDAKNGLRSA-N 187.258 2.041 0 20 AEAD CC(C)CCC(=O)N1CCC[C@H]2C[C@@H]21 672135292 YOSSYWNKWQHXQY-QWRGUYRKSA-N 195.306 2.434 0 20 AEAD Cc1cc(N2CCC[C@H]3C[C@H]32)ccn1 672323936 XPGZAQXXELNVAX-CMPLNLGQSA-N 188.274 2.379 0 20 AEAD CC(C)CN(Cc1cc[nH]n1)C1CC1 678153393 NAMLXZPTTFWQND-UHFFFAOYSA-N 193.294 2.030 0 20 AEAD CO[C@@H]1CCC[C@@H](N[C@H]2C=CCC2)C1 698324946 CRPCXFUYQZSQEQ-QJPTWQEYSA-N 195.306 2.252 0 20 AEAD CC[C@H]1COC[C@@H]1NCC1CCCC1 699472826 RJZOEWNSJRHASN-RYUDHWBXSA-N 197.322 2.191 0 20 AEAD C=C/C=C/CCN[C@@H]1CCCOCC1 713733935 JLMRSHIZHGZGTJ-AAOUONPWSA-N 195.306 2.277 0 20 AEAD Cc1coc(C(=O)N(C)CC(C)C)c1 718570196 WOEGZBJODMLQQD-UHFFFAOYSA-N 195.262 2.316 0 20 AEAD O=C(OCC1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 728764096 CCEWTGNHYJPRON-GARJFASQSA-N 194.274 2.376 0 20 AEAD O=C(CCCF)N1CCCC12CCC2 834552882 YDRVYCXGMRQMOS-UHFFFAOYSA-N 199.269 2.281 0 20 AEAD C=C=CCNC(=O)[C@@H]1C[C@H]1CC(C)C 848114744 YOUZMOGIJQKOAK-GHMZBOCLSA-N 193.290 2.126 0 20 AEAD CCCC[C@H](COC)N[C@H]1C=CCC1 850506378 AFHOBQGYQYRPDI-NWDGAFQWSA-N 197.322 2.500 0 20 AEAD Cc1n[nH]cc1[C@H](C)N[C@@H]1C=CCC1 850506777 BTPIVJLBVHJVQA-WCBMZHEXSA-N 191.278 2.087 0 20 AEAD Nc1c(Cl)cccc1CNC1CC1 876909218 YBHRDMIWVWZFOT-UHFFFAOYSA-N 196.681 2.174 0 20 AEAD C1=C[C@@H](N2C[C@H]3C=C[C@H]2C3)CCC1 880449702 ITGMGILJNWKDHM-TUAOUCFPSA-N 175.275 2.355 0 20 AEAD C/C=C(/C)C(=O)N[C@@]12CCC[C@@H]1C2 887037412 HEGDPWBDHCAQHA-QTEJLFGYSA-N 179.263 2.011 0 20 AEAD CC[C@H](C)[C@H](C)NC[C@@H]1CC(C)=NO1 895306785 JQFNMIHIZSFZQP-LSJOCFKGSA-N 198.310 2.175 0 20 AEAD CCC[C@H](C)NC1CC(C)(C(=O)O)C1 902055479 AYQCWKSAZJGZPO-SILCLGDVSA-N 199.294 2.018 0 20 AEAD CCC[C@@H](NCC1(N)CC1)C1CCC1 902406012 JZMHIIJPVSOGTK-LLVKDONJSA-N 196.338 2.036 0 20 AEAD Cc1ccc(-c2cn3c(n2)CCC3)o1 906164365 SWHYLCGBNCXCCY-UHFFFAOYSA-N 188.230 2.398 0 20 AEAD CC(C)[C@]1(C)C[C@H]1C(=O)N1CC=CC1 910013490 KPZCDYASDSAQCV-JQWIXIFHSA-N 193.290 2.067 0 20 AEAD CC[C@H](CO)Sc1cc(C)ccn1 918823229 WAFFJBVPXUNHHY-SECBINFHSA-N 197.303 2.253 0 20 AEAD C[C@H]1CC[C@H](NC(=O)NC2(C)CC2)C1 1332382257 LBWVUJAVMRLGGV-IUCAKERBSA-N 196.294 2.027 0 20 AEAD CCC[C@H]1CCCC[C@@H]1NCC(=O)O 1574483837 XULLGUVPORLPLM-UWVGGRQHSA-N 199.294 2.020 0 20 AEAD COCCN[C@@H](C)c1ccc(F)cc1 19881398 FSNQMQQXIKMVKW-VIFPVBQESA-N 197.253 2.123 0 20 AEAD Cc1cccc(OCC[C@H](C)O)c1 32007459 PVOJSSGMNIKGSW-JTQLQIEISA-N 180.247 2.145 0 20 AEAD CC[C@@H](C)CNc1cnn(CC)c1 35780057 FZESOLIWODEBPS-SECBINFHSA-N 181.283 2.361 0 20 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REAWQQJCASYMTG-MNOVXSKESA-N 197.322 2.191 0 20 AEAD C[C@H]1CCCN(C(=O)CCC2CC2)C1 334739449 QQKIMDCWMHGSEX-JTQLQIEISA-N 195.306 2.435 0 20 AEAD CC1=C[C@H](C)CN(C(=O)CC(C)C)C1 335000040 XKFAXOHDQZGJON-JTQLQIEISA-N 195.306 2.457 0 20 AEAD CC(C)(C)c1noc([C@@]2(C)C[C@H]2F)n1 335275711 LJMMULOBBUXHSB-LDWIPMOCSA-N 198.241 2.367 0 20 AEAD CC[C@@H](C)[C@H](C)C(=O)N1CC2(CC2)C1 335393486 TXRMOLAJQZYEOF-ZJUUUORDSA-N 195.306 2.291 0 20 AEAD C[C@H](C(=O)N(C)C(C)(C)C)C1CC1 335431957 YEFNCLYRIDMGML-QMMMGPOBSA-N 183.295 2.289 0 20 AEAD CC(C)=CCN[C@H]1CCCCC[C@@H]1N 335595299 ATFREWDPCSCPAJ-RYUDHWBXSA-N 196.338 2.202 0 20 AEAD C[C@@H]1C[C@H]1NC(=O)C1(C)CCCCC1 335710315 PVCCBOAMUFIYOA-NXEZZACHSA-N 195.306 2.481 0 20 AEAD C[C@H]1C[C@@H]1CN1CCC(CF)CC1 336210493 WCXOOFRMJWTSLD-GXSJLCMTSA-N 185.286 2.324 0 20 AEAD CCN(C(=O)c1nccs1)C(C)C 379353734 GEJYNFPIVWNFMS-UHFFFAOYSA-N 198.291 2.014 0 20 AEAD OCc1cccc(NC/C=C\Cl)c1 379385533 UAIGOLKAKCRIBP-DJWKRKHSSA-N 197.665 2.343 0 20 AEAD CCC1(C(=O)OCCCCF)CC1 379419243 XRPGWDDIOUHXEY-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD COC1CC(NCC2=CCCCC2)C1 379565892 GRQYMZCRYGEIQN-UHFFFAOYSA-N 195.306 2.254 0 20 AEAD CC[C@@H](NCC[C@H](C)O)C1CCCC1 387573823 NTTRPFBEFMYFAZ-CMPLNLGQSA-N 199.338 2.316 0 20 AEAD CCC(C)(C)CCN1CCCNCC1 394472855 YRSRQGKYMTXIAH-UHFFFAOYSA-N 198.354 2.108 0 20 AEAD CCC(CC)c1ccc(N)nc1 584881243 ZYPRKBXXJQKUEU-UHFFFAOYSA-N 164.252 2.567 0 20 AEAD CC(C)C[C@H](C)N(C)Cc1ncc[nH]1 599203799 OMKWJVZQOXEUDP-JTQLQIEISA-N 195.310 2.276 0 20 AEAD C[C@@H](C1CC1)N(C)CCOCC1CC1 607727707 POWJWINRSFINLI-JTQLQIEISA-N 197.322 2.143 0 20 AEAD O=C(CC1CCC1)NCc1ccoc1 608117918 OQVYZQWZMJTBPO-UHFFFAOYSA-N 193.246 2.086 0 20 AEAD c1cc(-c2cn(C3CC3)nn2)cs1 630590926 KTWUTRCVYBHVFO-UHFFFAOYSA-N 191.259 2.342 0 20 AEAD CCC(CC)CNC(=O)N1CC=CC1 636811400 CVJKNAYFPGRZIJ-UHFFFAOYSA-N 196.294 2.004 0 20 AEAD C[C@H](CF)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 639182421 FYESMYSBSUFCED-DBIOUOCHSA-N 185.286 2.370 0 20 AEAD CC[C@@H](NCC1(N)CCC1)C1CCC1 643517924 BLKASUJJNIHBDZ-LLVKDONJSA-N 196.338 2.036 0 20 AEAD CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C1CC1 648140015 OBOUVKVIYJDFKF-MWLCHTKSSA-N 195.306 2.289 0 20 AEAD CCc1cc(N(C)CC2CC2)ccn1 649247929 OEOXVHAZQKJAFD-UHFFFAOYSA-N 190.290 2.490 0 20 AEAD CC[C@]1(C)CCC[C@H]1NC[C@@H](C)CO 651686987 RYSXQVVXUFIAPM-IJLUTSLNSA-N 199.338 2.173 0 20 AEAD c1cc(CNC2CC3(CCC3)C2)no1 656504159 PIZJKWLZVFSLNI-UHFFFAOYSA-N 192.262 2.097 0 20 AEAD CC(C)=CCCN(C(C)C)C1COC1 660648927 ZTQWALFXNYHNGB-UHFFFAOYSA-N 197.322 2.452 0 20 AEAD CC(C)CCN1CCC[C@@H](CO)[C@@H]1C 665269113 UGOCNKRENGAVJE-RYUDHWBXSA-N 199.338 2.125 0 20 AEAD CC[C@H](N)CNC[C@H]1CCC[C@H](C)C1 666911653 AERJZYPWJUNEMQ-SRVKXCTJSA-N 198.354 2.140 0 20 AEAD CN(CC1=CCSC1)CC1(C)CC1 668775117 OVSDXDBRSJRGNK-UHFFFAOYSA-N 197.347 2.392 0 20 AEAD CC[C@H]1CCCN1CC[C@H]1CCCO1 682523191 SKVNFKKLBCYBLM-NWDGAFQWSA-N 197.322 2.430 0 20 AEAD C=C/C=C/CCNC1CCC(O)CC1 713483580 ARUJKCCBSJFCAH-ONEGZZNKSA-N 195.306 2.012 0 20 AEAD O=C(CC1CC1)NOC1CCCCC1 777964447 IOUAZLIBHUNMLZ-UHFFFAOYSA-N 197.278 2.167 0 20 AEAD CCCCC(=O)OCC(=O)CC1CC1 782009254 YAWRMFVZNRUINQ-UHFFFAOYSA-N 198.262 2.089 0 20 AEAD C[C@@H](CN)N[C@H]1CCCC12CCCC2 817970317 REOCYVIEBZJWGJ-QWRGUYRKSA-N 196.338 2.036 0 20 AEAD C[C@H](C1CC1)N(C)C(=O)OC1CCC1 829957682 WPFJLTBPEGXNNT-MRVPVSSYSA-N 197.278 2.406 0 20 AEAD O=C(NOCC1CCCC1)C1CCC1 842116639 QISASSKFQPWMDD-UHFFFAOYSA-N 197.278 2.025 0 20 AEAD C/C=C(\C)COC(=O)[C@H](C)SC 842848885 MYVCGDQVJZFUAG-IVGLGHLBSA-N 188.292 2.247 0 20 AEAD CCCCNC(=N)N[C@@H]1CCC1(C)C 849028072 AWAVCHSZFQNIGS-SECBINFHSA-N 197.326 2.089 0 20 AEAD COC[C@H](C)NC1CC2(CCCC2)C1 924527356 SBAYASYXDYIJPU-JTQLQIEISA-N 197.322 2.334 0 20 AEAD CC(C)CC[C@H](C)N[C@H]1C[C@H](CO)C1 927153811 XYUDWIKWXTTXOH-SRVKXCTJSA-N 199.338 2.172 0 20 AEAD CC(C)CN1CC[C@@H]2OCCC[C@@H]2C1 1116303042 NKXMMRAPULKNJG-NEPJUHHUSA-N 197.322 2.143 0 20 AEAD CC(C)(C)Cc1csc(CCN)n1 1120771324 AYGLTVWXOBHDJZ-UHFFFAOYSA-N 198.335 2.233 0 20 AEAD C/C=C(\C)CN(CC(=O)O)[C@H](C)CC 1776673038 SQHVWCMZFDYKAQ-NAZIUFLLSA-N 199.294 2.138 0 20 AEAD Fc1ccc(NCc2cc[nH]n2)cc1 20350774 CLRFIADLBZTUIT-UHFFFAOYSA-N 191.209 2.161 0 20 AEAD CSCCCN[C@H](C)C1CC1 35137757 RLTBMKCVCFPQHK-MRVPVSSYSA-N 173.325 2.128 0 20 AEAD Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O 37380765 INEMTYIXBMMJIJ-RQJHMYQMSA-N 182.244 2.245 0 20 AEAD OCc1cc2cccc(Cl)c2[nH]1 37632809 FCJGCNIGYJUFMF-UHFFFAOYSA-N 181.622 2.314 0 20 AEAD C[C@@H]1CCCN1Cc1cccc(N)c1 38000057 KEGHYZQHEXGUGR-SNVBAGLBSA-N 190.290 2.253 0 20 AEAD CCC(CC)CNC[C@H](C)COC 44478371 KTJPGEHQHQIWMO-JTQLQIEISA-N 187.327 2.295 0 20 AEAD CCCC1CCN(C[C@H](O)CC)CC1 50905007 SHBFXMHCPYETCG-GFCCVEGCSA-N 199.338 2.269 0 20 AEAD CN(C)c1cc(C(=O)O)ccc1Cl 59193221 QBMQJXSQBCYAOS-UHFFFAOYSA-N 199.637 2.104 0 20 AEAD C=CC(=O)Nc1ccc(OC)cc1C 61566992 DDLFMVAQTHVYEY-UHFFFAOYSA-N 191.230 2.128 0 20 AEAD CC[C@@H](C)C[C@H]1CCCN1 69841701 SMQJUHPITQXIEY-RKDXNWHRSA-N 141.258 2.175 0 20 AEAD C[C@@H]1CC[C@H](NCC(C)(C)N(C)C)C1 70642845 MFTLSCOILOWGST-MNOVXSKESA-N 198.354 2.105 0 20 AEAD CC(C)[C@H](N)c1ccc(O)c(F)c1 75854438 MTHQSBMKGPIHCX-JTQLQIEISA-N 183.226 2.187 0 20 AEAD Cc1ccc2ncc(CN)cc2c1 82162717 LUUXYSUDNNKSNI-UHFFFAOYSA-N 172.231 2.002 0 20 AEAD CC(C)(C)CCn1ccnc1 82615252 SLFNMBKMRCANKO-UHFFFAOYSA-N 152.241 2.319 0 20 AEAD CCOCCN[C@@H]1C[C@H](C)CC[C@@H]1C 82858500 WCKGCYGTTKBFQL-GRYCIOLGSA-N 199.338 2.437 0 20 AEAD CC(C)CC[C@@H](C)NCC[C@H](C)O 82993379 VKIHEYKSUSXFJL-MNOVXSKESA-N 187.327 2.172 0 20 AEAD Nc1cc(-c2c(F)cccc2F)on1 85278551 CRRQGBAPONFTPP-UHFFFAOYSA-N 196.156 2.202 0 20 AEAD CCC(=O)N[C@H]1CCCC1(C)C 86831858 IKQISZBHGIDPSY-QMMMGPOBSA-N 169.268 2.091 0 20 AEAD Cc1cc(OC2CC2)ccc1N 95737248 KYSOWKCQBVTPMQ-UHFFFAOYSA-N 163.220 2.118 0 20 AEAD in-vitro N[C@@H]1CSCc2c(F)cccc21 95829457 IUURQKKJXLJMPR-SECBINFHSA-N 183.251 2.072 0 20 AEAD C[C@H](N[C@H](C)CCO)c1cccs1 122801232 BAILHEWPFZARFV-BDAKNGLRSA-N 199.319 2.170 0 20 AEAD CC(C)[C@@](C)(O)CNCC(C)(C)C 123271552 XADUVHVXXGMKEN-NSHDSACASA-N 187.327 2.029 0 20 AEAD CCC(CC)N[C@H](C)[C@@H]1CCOC1 131940538 IJMZBNOHOPJJDC-NXEZZACHSA-N 185.311 2.190 0 20 AEAD C[C@@H](NCC1(O)CCC1)C1CCCC1 133436990 NGQZFXMWJCBSLL-SNVBAGLBSA-N 197.322 2.070 0 20 AEAD CCC[C@H](O)CN[C@H](CC)C(C)C 133592910 DLPOMPUJZQXRCU-WDEREUQCSA-N 187.327 2.172 0 20 AEAD CC[C@H]1CCN(CC2(O)CCCC2)C1 133596602 LQAHJYKSKGMUOP-NSHDSACASA-N 197.322 2.023 0 20 AEAD CC[C@H](O)CCN[C@@H]1CCCC1(C)C 157400921 WCLZJGADROLMIP-WDEREUQCSA-N 199.338 2.316 0 20 AEAD CCn1cc(OCC2CCC2)cn1 162083351 YZGAEXYSBUTSJA-UHFFFAOYSA-N 180.251 2.082 0 20 AEAD CCC[C@H](O)CN[C@@H](C)C(C)(C)C 167557818 VDHXTCODZJVOKF-UWVGGRQHSA-N 187.327 2.172 0 20 AEAD COCCSCc1nccs1 223404878 OMCNPECZRDBQSR-UHFFFAOYSA-N 189.305 2.023 0 20 AEAD CC(C)CCCNC(=O)c1ccoc1 224221402 VLZONSHDIVOEBO-UHFFFAOYSA-N 195.262 2.446 0 20 AEAD CC1(C)C[C@H]1CNC[C@@H]1CCCOC1 224806781 JHGJFALBEVGHHQ-QWRGUYRKSA-N 197.322 2.049 0 20 AEAD CC1(C)C[C@H]1CNC[C@H]1CCCOC1 224806867 JHGJFALBEVGHHQ-MNOVXSKESA-N 197.322 2.049 0 20 AEAD C/C=C\C(=O)NCCCC(C)C 228140249 NUBGIARRAAHILC-XQRVVYSFSA-N 169.268 2.115 0 20 AEAD CCNC(=O)NCC1(CC)CCCC1 230170108 KQQDIRXXQGEJTQ-UHFFFAOYSA-N 198.310 2.276 0 20 AEAD CC(C)(C)ONC(=O)CC1CCC1 230512623 ABLITVNJABANHD-UHFFFAOYSA-N 185.267 2.023 0 20 AEAD CCN[C@@H]1CCCc2ccc(O)cc21 233604689 OGMDATKVKAYPDT-GFCCVEGCSA-N 191.274 2.379 0 20 AEAD CC[C@H]1C[C@H](CC)n2ncc(N)c2N1 234097970 XRUMNJWSQHGHSV-YUMQZZPRSA-N 194.282 2.011 0 20 AEAD CCCC[C@H](C)c1nc(CNC)no1 300971351 SAGJMNGLMVGZSO-QMMMGPOBSA-N 197.282 2.083 0 20 AEAD c1cc(-c2nnc(C3CC3)o2)co1 306220858 OZEVHCJKQNNDOS-UHFFFAOYSA-N 176.175 2.207 0 20 AEAD CCC=C1C[C@@H]2CC[C@H](C1)N2 306366722 HAWSAFBPTXRZMF-AOOOYVTPSA-N 151.253 2.237 0 20 AEAD C[C@@]1(F)CCN(CC2CCC2)C1 306537718 RPUNXIPJMBTJNW-SNVBAGLBSA-N 171.259 2.220 0 20 AEAD Cc1ncc(CNc2nccs2)o1 306579244 MUFCPTCZLADQRC-UHFFFAOYSA-N 195.247 2.052 0 20 AEAD C[C@H](O)[C@H](C)N[C@@H]1CC12CCCCC2 307001200 BZRPFDULKGEWCO-GARJFASQSA-N 197.322 2.068 0 20 AEAD Cc1nnc(NC2CCCCC2)o1 307712075 WDJFFYGJZFGUDM-UHFFFAOYSA-N 181.239 2.123 0 20 AEAD CCC1(C(=O)N[C@H]2CC2(C)C)CC1 307752116 QJQMPJRUWSTXCV-QMMMGPOBSA-N 181.279 2.091 0 20 AEAD CC(C)CCOC(=O)[C@@H]1C[C@@H]1C 307971925 YNGGXFBRCOADGZ-DTWKUNHWSA-N 170.252 2.232 0 20 AEAD CC[C@H](CN[C@H](C)CC(C)C)OC 308243175 SYDJMOBCVQKDRP-GHMZBOCLSA-N 187.327 2.436 0 20 AEAD CO[C@@H](CN[C@H](C)C1CC1)C(C)C 308292055 FPCQHTZTBBBHQK-KOLCDFICSA-N 185.311 2.046 0 20 AEAD C/C=C(/CC)C(=O)N[C@H]1CC1(C)C 308317416 WJZVQHPQCXLSEI-RDOCRHDPSA-N 181.279 2.257 0 20 AEAD CC(C)[C@H](C)N[C@@H](CO)CC1CCC1 308515089 MKUROCYLMGQLBF-CMPLNLGQSA-N 199.338 2.172 0 20 AEAD CCC[C@H](NCCCCO)C1CCC1 322458383 KOHMNWQSWJYQOF-LBPRGKRZSA-N 199.338 2.317 0 20 AEAD CN(C[C@H]1CCCO1)C1(C)CCCC1 334140600 AEGAFUUTBWQYOM-LLVKDONJSA-N 197.322 2.430 0 20 AEAD CC(C)[C@@H](C)N[C@@]1(C)CCCOC1 335528134 COGNRSRWVSPMRM-MNOVXSKESA-N 185.311 2.190 0 20 AEAD C[C@H]1CCCCN(c2ncccn2)C1 335800583 RDKRQMNFYNXRFR-JTQLQIEISA-N 191.278 2.103 0 20 AEAD CCC(=O)N1CC2(CCC2)[C@H]1C(C)C 336511520 RJRJOHMTVVZCJX-LLVKDONJSA-N 195.306 2.434 0 20 AEAD CCC(=O)CCN(CC)C1CCC1 379355397 LLFCGDQPVZICHD-UHFFFAOYSA-N 183.295 2.230 0 20 AEAD CC(C)CCCN1CCN[C@H](C)[C@H]1C 379424516 CUERCVKNLLQDQK-VXGBXAGGSA-N 198.354 2.105 0 20 AEAD C[C@@H](NCCC1(C)CC1)c1ncc[nH]1 379642210 VXMLDUADAKRWRR-SECBINFHSA-N 193.294 2.251 0 20 AEAD C[C@H](CC(C)(C)C)NCc1ncc[nH]1 395004140 GVMLABDWIDMCSE-SECBINFHSA-N 195.310 2.324 0 20 AEAD CCC[C@H](C)N[C@@H](C)c1ccncn1 395959727 FJYOWUCJMZXPEC-UWVGGRQHSA-N 193.294 2.316 0 20 AEAD CCCC1(CN[C@@H]2CO[C@H](C)C2)CC1 401933262 YEZHPNVYUXPMCM-MNOVXSKESA-N 197.322 2.334 0 20 AEAD C[C@@H](C(=O)NC(C)(C)C)c1ccco1 607439893 TVVADLDSZLPSGR-MRVPVSSYSA-N 195.262 2.298 0 20 AEAD CC1CC(CNCc2ccncc2)C1 621383002 MRSKBNWKRYINMT-UHFFFAOYSA-N 190.290 2.217 0 20 AEAD CC1(C)CCN(Cc2ccns2)C1 638069030 LVWVBKTVUDECQM-UHFFFAOYSA-N 196.319 2.375 0 20 AEAD CN(CCF)c1nc2ccccc2o1 643611257 DAEBRNSNJRJVMT-UHFFFAOYSA-N 194.209 2.234 0 20 AEAD CC(C)[C@@H](C)C(=O)NCC(C)(F)F 647260557 MJAKKCMKUMITBA-SSDOTTSWSA-N 193.237 2.050 0 20 AEAD CC[C@H](C)C[C@H](CO)NC1CC(C)C1 647337890 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C1CCC([C@@H]2NCCS2)CC1 50522684 BZOPEEFFOPRYEJ-SECBINFHSA-N 171.309 2.229 0 20 AEAD Cc1cc(/C=C/CO)ccc1F 59813105 HCCWNHPMAKYHCK-NSCUHMNNSA-N 166.195 2.140 0 20 AEAD CC[C@@H](C)[C@@H](C)NCCSC 68995689 YDHGPYXHHGUISJ-RKDXNWHRSA-N 175.341 2.374 0 20 AEAD C[C@@H](CC(=O)O)N[C@H](C)C1CCCC1 69804564 OELOTXUBSOCVRX-DTWKUNHWSA-N 199.294 2.018 0 20 AEAD CC(C)CNC[C@@H]1CCCS1 69981827 MKPOWGPCNFGJFH-VIFPVBQESA-N 173.325 2.128 0 20 AEAD C[C@H]1CC[C@H](NCc2nccs2)C1 70643596 UBIZKWLXGBHAFB-IUCAKERBSA-N 196.319 2.421 0 20 AEAD CC(C)C[C@@H](C)CCCO 78131993 GCBXGQPBCBPHSP-VIFPVBQESA-N 144.258 2.441 0 20 AEAD C/C=C\COC(=O)C=C(C)C 79567768 UFFVPTAXPSQGOT-PLNGDYQASA-N 154.209 2.072 0 20 AEAD CC(=O)N[C@@H]1CCCC(C)(C)C1 80775471 NGEWFMFERNDEDU-SECBINFHSA-N 169.268 2.091 0 20 AEAD Cc1ccccc1N(C)C(=O)C1CC1 81561741 XUQSMILJYRLTKD-UHFFFAOYSA-N 189.258 2.368 0 20 AEAD CCCCOCCn1ccnc1CC 82615351 ULPBCJFHWOLDLM-UHFFFAOYSA-N 196.294 2.262 0 20 AEAD CC[C@@H](Sc1ccncc1)C(=O)O 87110022 VBKQUMDOOGCREU-MRVPVSSYSA-N 197.259 2.037 0 20 AEAD CCCC[C@H](C)[C@@H](C)NCCOC 87147505 DHOSCNZUQAARNM-WDEREUQCSA-N 187.327 2.437 0 20 AEAD Cc1ccc(CNCCCF)o1 88024875 PYLDRMXOVUJOOV-UHFFFAOYSA-N 171.215 2.037 0 20 AEAD c1coc([C@@H]2CCNCCS2)c1 90397298 FXAQIBYIWTYVET-VIFPVBQESA-N 183.276 2.047 0 20 AEAD O=Cc1c[nH]nc1/C=C\c1ccccc1 95908410 KUFBNMYIOSTKQE-SREVYHEPSA-N 198.225 2.393 0 20 AEAD CC[C@@H]1CCCC[C@@H]1NCC[C@H](C)O 101635595 ZSPNBGVJQNYXES-TUAOUCFPSA-N 199.338 2.316 0 20 AEAD CC(C)(C)CCN[C@H]1CCC[C@H]1CN 129980702 BFJVVRVFRNDWCN-QWRGUYRKSA-N 198.354 2.140 0 20 AEAD CCC[C@H](O)c1nc(C)cs1 132443007 ZBZLSZLWIUSWHS-ZETCQYMHSA-N 171.265 2.285 0 20 AEAD O=C(O)[C@H]1CCc2ccccc2S1 138534378 RPTUKIAFFBVPLL-SECBINFHSA-N 194.255 2.178 0 20 AEAD CCCOC(=O)NCCC(C)C 147882137 SUIGSQBPMGHYIK-UHFFFAOYSA-N 173.256 2.169 0 20 AEAD Cc1ccc(F)c(-c2noc(C)n2)c1 202453112 STUDHSGYGRDMBP-UHFFFAOYSA-N 192.193 2.493 0 20 AEAD CC(=O)c1cc(Cl)c(O)cc1F 213370564 IGJAEERTJKKUQO-UHFFFAOYSA-N 188.585 2.387 0 20 AEAD FCCCNC1Cc2ccccc2C1 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NGWYCUFWKDYATP-SNVBAGLBSA-N 199.294 2.020 0 20 AEAD CC[C@@H](C)CN1CCC[C@](O)(CC)C1 639385514 SWIAKXQSFODAPA-VXGBXAGGSA-N 199.338 2.269 0 20 AEAD CCCN(C)c1cc(C2CC2)ncn1 641320247 YAEUJCVPCVGHET-UHFFFAOYSA-N 191.278 2.200 0 20 AEAD CCN(C)CCOc1ccccc1C 641853299 KFZKETJUWZDGLY-UHFFFAOYSA-N 193.290 2.326 0 20 AEAD CC[C@](C)(CO)N[C@@H]1CC=C(C)CC1 646151564 VTTPFXWQTFORIK-VXGBXAGGSA-N 197.322 2.236 0 20 AEAD C[C@@H]1COCC[C@@H]1N[C@@]1(C)CC1(C)C 658302580 LWOOOPGUNLKFEJ-SCVCMEIPSA-N 197.322 2.190 0 20 AEAD CC1(C)C[C@H](N2CCCCC2)CO1 659834531 WCIJBNVEXZUPCQ-JTQLQIEISA-N 183.295 2.040 0 20 AEAD CCN(CCC=C(C)C)[C@@H](C)CO 660652529 AKQJQSZPTFXLAY-NSHDSACASA-N 185.311 2.045 0 20 AEAD Cc1cnc(N2CC[C@@H]2C(C)C)nc1 663971207 FGUXQAKJFCCUMW-SNVBAGLBSA-N 191.278 2.020 0 20 AEAD Cc1ccnc(N2CC[C@@H]3C[C@H]3C2)c1 664526623 VVRYCTBJLNFNMI-MNOVXSKESA-N 188.274 2.236 0 20 AEAD CCCCC[C@@H]1CCCN1C(=O)NC 676036431 LHKFXAAQLDFRQQ-SNVBAGLBSA-N 198.310 2.371 0 20 AEAD CCC[C@@H]1CN(C2CCCC2)CCO1 678271380 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CC(C)N(C)CCN[C@@H]1CC[C@H](C)C1 70644008 RSHCJHAQJCCPEZ-NWDGAFQWSA-N 198.354 2.105 0 20 AEAD Cc1cc(C)c2c(c1)NCCC2=O 71481814 QHRWKOYSGXLUKD-UHFFFAOYSA-N 175.231 2.302 0 20 AEAD CN1CCC[C@H]1CNC1CCCCC1 75599540 HULSUHDEOHXHFP-LBPRGKRZSA-N 196.338 2.003 0 20 AEAD CCN[C@@H]1CCC[C@H]1SCC 81826911 CKZZSWTWYBYDGE-RKDXNWHRSA-N 173.325 2.270 0 20 AEAD C[C@H]1CC[C@]1(C(=O)O)c1ccccc1 83822727 QJJUETHUUBXFNN-JOYOIKCWSA-N 190.242 2.439 0 20 AEAD CC(C)[C@@H](C)NCc1ccn(C)c1 85590389 FBJLDQVVDLGMDI-SNVBAGLBSA-N 180.295 2.159 0 20 AEAD CNCCc1nc(CC(C)C)cs1 106876203 JMCDUOSHDFOXHA-UHFFFAOYSA-N 198.335 2.104 0 20 AEAD CC[C@H](O)CCCN[C@@H](CC)C1CC1 130175318 TWECQEANXBAFKF-RYUDHWBXSA-N 199.338 2.316 0 20 AEAD CCNC(=O)N[C@@H]1CCCCC1(C)C 130766064 MZGULKGNQFDZQJ-SECBINFHSA-N 198.310 2.274 0 20 AEAD C[C@H](N[C@H]1CC[C@@H](C)C1)[C@@H]1CCOC1 156890729 DUSRHMZAWYSVRU-KXNHARMFSA-N 197.322 2.190 0 20 AEAD C[C@H]1CCC[C@H](CN2CCOCC2)C1 166053927 VDNPWYMXWWWLGG-RYUDHWBXSA-N 197.322 2.145 0 20 AEAD COCCOC(=O)CCC(C)(C)C 199820338 ZUUPEQXTJOSBMP-UHFFFAOYSA-N 188.267 2.002 0 20 AEAD CC(C)N1CC[C@H](C(F)(F)F)C1 202952271 AJNUIIVPIGDJDY-ZETCQYMHSA-N 181.201 2.279 0 20 AEAD Cc1cn(CCCC(C)C)nn1 226040899 OVKVAIIBIQLYGY-UHFFFAOYSA-N 167.256 2.023 0 20 AEAD CCC(=O)N[C@H]1CCC[C@H](C)CC1 226322788 HBKSAYCMZMKJSX-UWVGGRQHSA-N 183.295 2.481 0 20 AEAD CC(C)CCOCCNCC1(C)CC1 226376763 KQIFZBSBLLOIMH-UHFFFAOYSA-N 199.338 2.439 0 20 AEAD CCN(CC1CCC1)C[C@H](O)C(C)C 230329569 RGVQLBZWXSBLDS-LBPRGKRZSA-N 199.338 2.125 0 20 AEAD CCN(CC)C(=O)NC(C)(C)C1CC1 230615144 XCQZXSOFLORROD-UHFFFAOYSA-N 198.310 2.226 0 20 AEAD COC1CC(NC2CCCCC2)C1 230676336 XQYIZGGLHAAOHG-UHFFFAOYSA-N 183.295 2.086 0 20 AEAD CC(C)C[C@@H](C)N(C)CC[C@H](C)O 251369012 FSKFWRRHUFOHGD-MNOVXSKESA-N 187.327 2.124 0 20 AEAD CC(C)(C)CCN[C@@H]1CCCC[C@H]1N 259016475 NWXCTDOYJMXLGE-GHMZBOCLSA-N 198.354 2.282 0 20 AEAD CC(C)=CC(=O)N1C[C@@H](C)C[C@@H]1C 300743887 IIUPARHWUQROBR-UWVGGRQHSA-N 181.279 2.210 0 20 AEAD CCCC(=O)N1CCC(C)=C(C)C1 306296724 WYTPVTOZSLJCID-UHFFFAOYSA-N 181.279 2.355 0 20 AEAD CNc1c(F)cccc1N1CCCC1 306332678 DRUPYCIVSRSWNS-UHFFFAOYSA-N 194.253 2.468 0 20 AEAD C[C@@H]1CCC[C@@H](OC(=O)C(F)F)C1 306424602 IOKJYMCSKPHKLJ-RNFRBKRXSA-N 192.205 2.373 0 20 AEAD CC[C@@H](C)N(C)c1ncncc1Cl 306478979 DKCUPOMANYOFHM-SSDOTTSWSA-N 199.685 2.365 0 20 AEAD C[C@@H]1CC[C@@H](C(=O)NC(C)(C)C)C1 306554130 BXVOSCRIJZKYQR-RKDXNWHRSA-N 183.295 2.337 0 20 AEAD O=Cc1cc(N2C[C@H]3C[C@H]3C2)cs1 307263274 BEASOXKKCIBORN-OCAPTIKFSA-N 193.271 2.017 0 20 AEAD C[C@@H]1CC(C(=O)N(C)C)C[C@@H](C)C1 307298051 QIZYOTQLHAXCDJ-IUCAKERBSA-N 183.295 2.147 0 20 AEAD CC/C=C/CCN(C)C1CC1 307904594 QTNMQFKOKVILSH-SNAWJCMRSA-N 153.269 2.437 0 20 AEAD CC(C)CCN(C)C(=O)C1CCC1 308265547 PODNDPVLNRVWOX-UHFFFAOYSA-N 183.295 2.291 0 20 AEAD CN(C(=O)C(C)(C)C1CC1)C1CC1 308287814 CULFNTDSYVXXHQ-UHFFFAOYSA-N 181.279 2.043 0 20 AEAD CC[C@H](C)CNCCC[C@H](O)CC 308302932 MWNPSXXFIMRIAW-WDEREUQCSA-N 187.327 2.173 0 20 AEAD CC[C@H](CNC(C1CC1)C1CC1)OC 308563569 GNYWPTZZYAIHKK-LLVKDONJSA-N 197.322 2.190 0 20 AEAD CC[C@H](NCCC[C@H](C)O)[C@H]1C[C@@H]1C 321491429 KKNXJYFMEDXXTA-BJDJZHNGSA-N 199.338 2.172 0 20 AEAD OCCCN[C@@H]1CCCC12CCCC2 328211215 WOEJQGUPOFCFDC-LLVKDONJSA-N 197.322 2.071 0 20 AEAD CCCNC(=O)N1CC(C)(C)C[C@@H]1C 334587501 PQHHMPXYKKBLOM-VIFPVBQESA-N 198.310 2.226 0 20 AEAD Cc1nc(CN2CC3(CC3)C2)cs1 334743422 ULXAVCYQPPHCBM-UHFFFAOYSA-N 194.303 2.047 0 20 AEAD CC1=C[C@@H](C)CN(C(=O)CC(C)C)C1 335000041 XKFAXOHDQZGJON-SNVBAGLBSA-N 195.306 2.457 0 20 AEAD c1cc2nccc(N3CCCC3)c2cn1 335163890 NJYKYOUBQUGTBF-UHFFFAOYSA-N 199.257 2.230 0 20 AEAD C[C@H]1CC[C@H](C)N1CCC(C)(C)O 335569594 KXKMJRYTVZBWKS-UWVGGRQHSA-N 185.311 2.020 0 20 AEAD CC1CCC(N[C@H]2CO[C@@H](C)C2)CC1 335655754 GEXZHGHHDSWTIF-POSLAHMBSA-N 197.322 2.332 0 20 AEAD C[C@@]1(C(=N)O)CCN(C2CCCC2)C1 336220134 ORMBKKSDURDYJV-LLVKDONJSA-N 196.294 2.176 0 20 AEAD CC[C@@H]1CN(CC2CC2)CCS1 336555713 ARNQOQHDYFRKSI-SNVBAGLBSA-N 185.336 2.224 0 20 AEAD C[C@@H](NCCC1(C)CC1)[C@@H]1CCOC1 379668478 ZRZRXFKXRSXTLS-GHMZBOCLSA-N 197.322 2.191 0 20 AEAD COCC[C@H](C)N[C@H]1CCC[C@H]2C[C@H]21 382285352 JSTSYXFMVURLFM-YFKTTZPYSA-N 197.322 2.190 0 20 AEAD CC/C=C/CN[C@H](C)c1ccnn1C 384880373 IHDCUKYQLDXYHS-BRAIEQGRSA-N 193.294 2.037 0 20 AEAD CC[C@H](CSC)NC[C@H]1C[C@@H]1C 388390662 BUJMNKVDIJZWFH-IVZWLZJFSA-N 187.352 2.374 0 20 AEAD CCCC1(CNC[C@H](O)CC)CCC1 391933979 OUFCFYJIKKOPBI-LLVKDONJSA-N 199.338 2.317 0 20 AEAD C[C@H](Cc1cccc(F)c1)NCCF 393673867 QDHMCHQYRYKFJK-SECBINFHSA-N 199.244 2.316 0 20 AEAD c1ccc(OCC[C@@H]2CCOC2)cc1 400978765 UBEUWEXNCZQOFB-NSHDSACASA-N 192.258 2.492 0 20 AEAD COCCCN1CCC[C@@H]1C1CCC1 590599696 YLCSSIHPEAWSAQ-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD Cc1cnn(CCOCC2CCC2)c1 642203476 NZYOMZLQZDEQJX-UHFFFAOYSA-N 194.278 2.008 0 20 AEAD C[C@@H]1CCC[C@H]1N[C@@H]1CCCC[C@H]1N 643973521 ZOHDCHZEAGXRGJ-DDHJBXDOSA-N 196.338 2.035 0 20 AEAD COC1(CCN(C)CC2CC2)CCC1 645078351 SVGLVRCDJCEMBX-UHFFFAOYSA-N 197.322 2.287 0 20 AEAD CCCC[C@H](C)N[C@H]1CC[C@@H](CO)C1 648700308 ZXEBPRSUDYBWLD-TUAOUCFPSA-N 199.338 2.316 0 20 AEAD F[C@@H]1CCCN(Cc2ccco2)C1 652078965 YKFZPJRHBQFNPV-SECBINFHSA-N 183.226 2.214 0 20 AEAD CCCCN[C@H]1CCCn2ccnc21 655684005 LZSNDFSNXKHPSK-JTQLQIEISA-N 193.294 2.108 0 20 AEAD CC[C@@H](COC)N[C@@]1(C)CC1(C)C 658308373 PFFZHLIEOXELQF-ONGXEEELSA-N 185.311 2.190 0 20 AEAD CC(C)CCC[C@H](C)N[C@H]1C[C@H](O)C1 658351616 XXXZXELCOLIAOZ-SRVKXCTJSA-N 199.338 2.314 0 20 AEAD C[C@@H]1C[C@H]1C(=O)N1[C@H](C)CCC1(C)C 662020910 VZOKAUBVKIFNCG-OPRDCNLKSA-N 195.306 2.432 0 20 AEAD CC[C@H](C)COc1c(C)[nH]ccc1=O 664098300 FNYDVHHLLXWZKF-QMMMGPOBSA-N 195.262 2.108 0 20 AEAD CC[C@@H](C)NCC[C@@H]1CCCN(C)C1 666172142 IMCYRLJDBJNVRH-NEPJUHHUSA-N 198.354 2.106 0 20 AEAD COCC(C)(C)c1nc(C(C)C)no1 680653173 GTFGSYVHORCAAK-UHFFFAOYSA-N 198.266 2.117 0 20 AEAD CC/C=C/CCN(CCO)CCCC 681020839 FRRCTFFCBFPAPD-FNORWQNLSA-N 199.338 2.437 0 20 AEAD C=Cn1cc(CN(C)CC(C)C)cn1 683696589 RDACAVACOXLZED-UHFFFAOYSA-N 193.294 2.071 0 20 AEAD C[C@@H]1COC[C@H]1NC[C@H](C)C(C)(C)C 688023510 STLRZJLDZZCBNX-OUAUKWLOSA-N 199.338 2.293 0 20 AEAD Cc1cnc(COC(=O)CC(C)C)o1 744475179 YTZHJDJFOCCSLM-UHFFFAOYSA-N 197.234 2.072 0 20 AEAD CC(=O)NOCC[C@@H]1CCC[C@H](C)C1 756862076 JOUVALVZCIXBMN-ONGXEEELSA-N 199.294 2.271 0 20 AEAD C/C=C(/C)C(=O)OCCCC(=O)CC 759558431 QCKHQMVNILGLGV-WTKPLQERSA-N 198.262 2.255 0 20 AEAD CCc1cc(NC[C@H](C)CC)nn1C 817708758 GUKZBXHFAJOKFQ-SECBINFHSA-N 195.310 2.441 0 20 AEAD C/C=C(\C)C(=O)N[C@@H]1C[C@H]1C(C)C 838082240 ODGYAUVFKCKDEB-AIYFBYTFSA-N 181.279 2.113 0 20 AEAD C[C@H]1CCC[C@@H]1Nc1cnc(F)cn1 853273394 JGFUSYUSLMRSGB-YUMQZZPRSA-N 195.241 2.216 0 20 AEAD O=C(N[C@H]1C=CCC1)C1CC2(CC2)C1 855432768 BALBACRMOLMFRO-JTQLQIEISA-N 191.274 2.011 0 20 AEAD CC/C(C)=C(\C)C(=O)N1CC=CC1 910011287 RBAHJYCNQAMAHC-MDZDMXLPSA-N 179.263 2.131 0 20 AEAD CC(C)=CCn1cc(C)sc1=O 920332798 UPQXCKXMAINDDQ-UHFFFAOYSA-N 183.276 2.184 0 20 AEAD CO[C@@H](C)c1nnc(C2CCCC2)o1 1117246353 LBPQDTALVZNESJ-ZETCQYMHSA-N 196.250 2.435 0 20 AEAD CC[C@@H]1C[C@H](c2nnc(C)o2)CCO1 1325769886 LJCWDCWMGCNRMX-RKDXNWHRSA-N 196.250 2.051 0 20 AEAD CC[C@@H](C)C(=O)NC/C=C\C1CC1 1330565481 WXUPUGYWCMSZKT-XRVBUDJMSA-N 181.279 2.115 0 20 AEAD COCc1nnc([C@H]2CC[C@@H](C)C2)o1 1346625323 FFCDYSHGRZRVEA-SFYZADRCSA-N 196.250 2.120 0 20 AEAD CCOc1ccc(C)c(F)c1C=O 1975556093 QHVJDKYHFVWLGV-UHFFFAOYSA-N 182.194 2.345 0 20 AEAD CC[C@@H](C)C(=O)NCCC(C)C 5593211 PLGRCNWPYMHQIS-SECBINFHSA-N 171.284 2.195 0 20 AEAD COCC[C@H](C)NC[C@@H]1CC=CCC1 45629347 AHMKMYGOSXZSQD-NWDGAFQWSA-N 197.322 2.357 0 20 AEAD CC(C)NC[C@@H]1CC1(C)C 54595124 JUIORVHGMPJSCQ-QMMMGPOBSA-N 141.258 2.031 0 20 AEAD Cc1cn(CC2CCCCC2)nc1N 69760258 YCYDWUFBDOGAFS-UHFFFAOYSA-N 193.294 2.354 0 20 AEAD C[C@H](N[C@@H]1CCOC(C)(C)C1)C1CC1 69861226 WWEUIQWNDUKTGL-GXSJLCMTSA-N 197.322 2.332 0 20 AEAD C1CCC(NC[C@H]2CCCS2)C1 69981865 SZJYFHQXXRGOOF-SNVBAGLBSA-N 185.336 2.414 0 20 AEAD CCc1nccn1CCC(F)(F)F 70916667 KZDSGEIFPQWEBF-UHFFFAOYSA-N 192.184 2.398 0 20 AEAD C/C=C/C(=O)N1CCC[C@H](C)CC1 82261510 WAEYJBADFTYZBW-GFAPAMAISA-N 181.279 2.211 0 20 AEAD CC(=O)Nc1cccc2c1ccn2C 82274734 BSKOOBWURXIUSU-UHFFFAOYSA-N 188.230 2.137 0 20 AEAD CC[C@@H](NC(C)C)C1CC1 83053997 XHUBZVPACHWVSJ-SECBINFHSA-N 141.258 2.173 0 20 AEAD NCC[C@@H](O)C1CCCCCCC1 83557879 IEVRXDVLUUWKBZ-LLVKDONJSA-N 185.311 2.057 0 20 AEAD CC[C@H](C)CN[C@@H]1CCCC[C@@H]1CN 84216743 HJHSUHXPPYRUBY-QJPTWQEYSA-N 198.354 2.140 0 20 AEAD C[C@H](N)CNc1ccccc1Cl 84449258 LLUJENNMFUHFHO-ZETCQYMHSA-N 184.670 2.099 0 20 AEAD CC(C)=CCSC[C@H](C)CO 85138367 ZWXFFNOYUDADQK-SECBINFHSA-N 174.309 2.314 0 20 AEAD COC[C@H](C)NCC1C(C)(C)C1(C)C 86239409 CYSNNWYNSUIBHL-VIFPVBQESA-N 199.338 2.293 0 20 AEAD C[C@H]1CC[C@H](CNC2CCCCC2)O1 88141255 WRNNJVOAWGKUED-CMPLNLGQSA-N 197.322 2.476 0 20 AEAD CC[C@H](C)CNC[C@@H]1CCC[C@H](O)C1 128995678 VKMGMBLCMQOMHI-TUAOUCFPSA-N 199.338 2.173 0 20 AEAD CCc1ccc(C(=O)N(C)CC)cc1 145942986 AJKAYXFCUUIWMW-UHFFFAOYSA-N 191.274 2.341 0 20 AEAD CC(=O)OCc1cc(F)ccc1F 146781499 QQDZGALTZIQBBN-UHFFFAOYSA-N 186.157 2.028 0 20 AEAD CCc1cc(CN[C@@H](C)C2CC2)on1 165367318 CZCMAAKFCYLGNR-QMMMGPOBSA-N 194.278 2.125 0 20 AEAD CC(C)[C@H](CCO)N[C@@H]1CCC[C@H]1C 165816651 XKZRFZCUOZZFCY-GRYCIOLGSA-N 199.338 2.172 0 20 AEAD Cc1cccnc1NC[C@@H]1C[C@@H]1C 167099285 NMLPBOGGYUBBAU-UWVGGRQHSA-N 176.263 2.458 0 20 AEAD CCOc1cnc(Cl)c(F)c1 168670006 PMXYDUARDBOWCD-UHFFFAOYSA-N 175.590 2.273 0 20 AEAD CC(=O)c1ccn2cccc2c1 215617766 VWCNZNKQAXHOAN-UHFFFAOYSA-N 159.188 2.142 0 20 AEAD CCCNCCN[C@H](CC)CCC 231276470 ROZBFIFWAVUWTO-LLVKDONJSA-N 186.343 2.154 0 20 AEAD Cc1ccc([C@@H](C)N[C@@H](C)CN)s1 235095215 NJOWIEAAFKVIBS-IONNQARKSA-N 198.335 2.054 0 20 AEAD CCN(CCO)C[C@@H]1CCCC[C@H]1C 252868505 RNSLAHXJSHXFGC-NEPJUHHUSA-N 199.338 2.127 0 20 AEAD CCNC(=O)N[C@H]1CC12CCCCC2 306831058 JYFFSFRLLLXNAY-VIFPVBQESA-N 196.294 2.028 0 20 AEAD CC(C)C(=O)N1CC[C@H]2CCC[C@@H]21 307080226 IHXIGUPVVCYUCG-ZJUUUORDSA-N 181.279 2.043 0 20 AEAD FCCSc1ccc(Cl)nn1 307386592 BBVBCKZJMHDXSE-UHFFFAOYSA-N 192.646 2.192 0 20 AEAD CC(C)C(=O)OCC1=CCCC1 307956754 RVUCGYQJZDKKOQ-UHFFFAOYSA-N 168.236 2.296 0 20 AEAD CC[C@@H](C)COC(=O)C(C)(C)F 308057948 VDZVCNSONRUQEV-SSDOTTSWSA-N 176.231 2.324 0 20 AEAD CC(C)OC[C@@H](C)NC1CC=CC1 308158019 SRBMEBUZXBOLBG-SNVBAGLBSA-N 183.295 2.108 0 20 AEAD CC1(C)CCCN(Cc2ccno2)C1 334278040 DUELIHGJHUYYJH-UHFFFAOYSA-N 194.278 2.297 0 20 AEAD CC[C@@H]1CCCCN1C[C@H]1CCCO1 334406683 QWAHCXWMMFAKMZ-VXGBXAGGSA-N 197.322 2.430 0 20 AEAD Cc1noc(-c2[nH]ccc2C2CC2)n1 334915615 XRAUNXDYDGCLBF-UHFFFAOYSA-N 189.218 2.251 0 20 AEAD CC[C@H](C)COC(=O)C1(C)CC1 379314663 OVZLQJNUIXMPHN-QMMMGPOBSA-N 170.252 2.376 0 20 AEAD CCCCCNC(=O)[C@H](C)SC 379337066 VFGDYRWWYYIACA-QMMMGPOBSA-N 189.324 2.044 0 20 AEAD CCCCCCSCC(=O)NC 379339171 YKUIWWZSUAWWDB-UHFFFAOYSA-N 189.324 2.046 0 20 AEAD CC[C@H](C)[C@@H](C)NC(=O)CC1CC1 379372740 VVMBMGVZCNJFJQ-DTWKUNHWSA-N 183.295 2.337 0 20 AEAD CCC(=O)OCCCOC(C)(C)C 379394937 YIFYNEUBBSNLIA-UHFFFAOYSA-N 188.267 2.145 0 20 AEAD CC[C@@H](CO)N[C@H]1C=CCCCCC1 379538951 NLTGTRJFIQWTAW-RYUDHWBXSA-N 197.322 2.236 0 20 AEAD CC(C)CCNC[C@@H](C)CCCO 384332247 AJBUIBLVWMMLBZ-NSHDSACASA-N 187.327 2.031 0 20 AEAD COC[C@H](C)N[C@H]1CC[C@@H]1C1CCC1 389205157 GGEDDLCGBDXEJM-WCQGTBRESA-N 197.322 2.190 0 20 AEAD CC(C)[C@@H](C)NCCC[C@@H]1CCOC1 400617069 YHVIKXBDJCLPTQ-VXGBXAGGSA-N 199.338 2.437 0 20 AEAD Cc1cocc1C(=O)N[C@H](C)C1CC1 529444976 LAXOWGZQQRSAJK-MRVPVSSYSA-N 193.246 2.116 0 20 AEAD FCCCSCC1CCNCC1 592174944 YAGBESILURLSEQ-UHFFFAOYSA-N 191.315 2.079 0 20 AEAD C[C@H]1CCC[C@@H](C)N1C[C@H]1CCCO1 595571800 JDKRQFARILVPSQ-GRYCIOLGSA-N 197.322 2.428 0 20 AEAD CCC[C@H](CN1CCC[C@@H]1C)OC 638070480 YBHBPLJETQNOQG-WDEREUQCSA-N 185.311 2.286 0 20 AEAD Cc1ccncc1CN1CC(C)(C)C1 639393575 NUNKUCIKSBCKEO-UHFFFAOYSA-N 190.290 2.232 0 20 AEAD C[C@H]1CCC[C@@H](NC(=O)C2CCC2)C1 642011737 VXVUUFMLJXSDFV-GXSJLCMTSA-N 195.306 2.481 0 20 AEAD Cc1noc(C)c1CN(C)CC(C)C 642525765 BFEUECRBKIMILB-UHFFFAOYSA-N 196.294 2.379 0 20 AEAD CC(C)CCNC(=O)[C@@]12CCC[C@H]1C2 643298407 FOSRMYJNJVKGGT-CMPLNLGQSA-N 195.306 2.339 0 20 AEAD CC(C)N(CC1(C)CCC1)C1COC1 649694111 AZWPYAWBYMAQSY-UHFFFAOYSA-N 197.322 2.286 0 20 AEAD CC/C=C/CNC(=O)N1CC(C)(C)C1 656136768 MVSKSRAWDOZQEN-AATRIKPKSA-N 196.294 2.004 0 20 AEAD CCCCN(C)[C@H]1COC(C)(C)C1 659814123 NILNGXMKMHKBNS-SNVBAGLBSA-N 185.311 2.286 0 20 AEAD Cc1cccc(N2CC[C@@H]3C[C@H]3C2)n1 664525784 QYLPHXWUOSEIOI-MNOVXSKESA-N 188.274 2.236 0 20 AEAD Cc1cccc(N2CC[C@H]3C[C@@H]3C2)n1 664525786 QYLPHXWUOSEIOI-WDEREUQCSA-N 188.274 2.236 0 20 AEAD C[C@@H]1CCCCN1C(=O)CCCF 665169372 LIFIRCWWPRBCEK-SECBINFHSA-N 187.258 2.137 0 20 AEAD CC[C@H](C)CCN[C@@H](C)[C@@H]1CCCN1 665238479 ZHIILYCUPYRBON-SRVKXCTJSA-N 198.354 2.153 0 20 AEAD CC[C@H](N)CN[C@@H]1CCC[C@H](C)[C@@H]1C 666911195 HWORDCVPDYZJNM-FIQHERPVSA-N 198.354 2.138 0 20 AEAD C[C@H]1CCN(CC2CC2)C[C@H]1C 678045219 CTBUANVERKVFBN-VHSXEESVSA-N 167.296 2.374 0 20 AEAD CC/C=C\CCN(C)C[C@H]1CCOC1 681025745 SMJJZBPJVVESIM-QMAVJUDZSA-N 197.322 2.311 0 20 AEAD CC(C)CC[C@H](O)CN1CCC[C@@H]1C 684616242 BHDCIJJJPYTGCA-RYUDHWBXSA-N 199.338 2.268 0 20 AEAD CC[C@H]1COC[C@H]1NCC1=CCCC1 699884034 XMXCKYYOWZKOEH-NWDGAFQWSA-N 195.306 2.111 0 20 AEAD CC[C@@H]1C[C@H]1CN[C@]1(C)CCO[C@H]1C 723069466 LEJLACQHKAUGKN-WHOHXGKFSA-N 197.322 2.190 0 20 AEAD C/C=C(/C=C\C(=O)N1CC(F)C1)CC 753069150 YVMMRRXVPUGFQY-JZDKOIQPSA-N 197.253 2.079 0 20 AEAD CCCCCCN1CCCN(C)CC1 755051547 YZBCVXXOPATOSB-UHFFFAOYSA-N 198.354 2.204 0 20 AEAD C/C=C(/C)C(=O)OC[C@]1(C)C[C@@H]1F 822120618 QBVAJOKHFBIIOY-SLTPTINOSA-N 186.226 2.244 0 20 AEAD CON(C)C[C@]1(C)CC1(Cl)Cl 827378804 YASWXHUDUBKZIV-LURJTMIESA-N 198.093 2.064 0 20 AEAD C=C=CCNC(=O)/C(C)=C(/C)CC 848115790 QRFPLOMBPJNHCG-KTKRTIGZSA-N 179.263 2.190 0 20 AEAD CCC(CC)C(=O)N[C@@H]1C=CCC1 855421245 DMHLEFBBQQDDBR-SNVBAGLBSA-N 181.279 2.257 0 20 AEAD CCON(C)C(=O)OCCC(C)C 859124354 VCSXNELSNZXYNC-UHFFFAOYSA-N 189.255 2.052 0 20 AEAD CC[C@@H](C)CN1CC[C@H](CF)C1 880295857 ZGBAMAUQMKJZBQ-NXEZZACHSA-N 173.275 2.324 0 20 AEAD CC[C@@H](C)N[C@@H](C)c1ncco1 886538343 GKAVBSGNNKKZJR-SFYZADRCSA-N 168.240 2.124 0 20 AEAD 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C[C@@H]1C[C@@H]1C(=O)NCC1CC(C)(C)C1 673127314 PWKGWIHLSVFFJS-SCZZXKLOSA-N 195.306 2.195 0 20 AEAD CCCN(CC[C@@H]1CCOC1)C1CC1 682150189 BRRJMXLVPIJKDT-LLVKDONJSA-N 197.322 2.287 0 20 AEAD CCCCN(CCCO)C[C@@H]1C[C@@H]1C 685460590 RQLUQLQFRWWGEQ-RYUDHWBXSA-N 199.338 2.127 0 20 AEAD CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@H]21 710003991 WDSSLIBXKNNCNI-IUCAKERBSA-N 197.278 2.406 0 20 AEAD C=C/C=C/CCNCc1ccncc1 713719316 KJUAMGLZLDUYRZ-ONEGZZNKSA-N 188.274 2.304 0 20 AEAD CCCCC[C@H](C)N[C@H]1C[C@@H](O)C1 825256805 IDPJMEXXLVOVED-GARJFASQSA-N 185.311 2.068 0 20 AEAD CCn1cnnc1S[C@H](C)C(C)C 840076167 JEENLJPMGOAOEL-MRVPVSSYSA-N 199.323 2.435 0 20 AEAD CC[C@H](NC(=O)OC)[C@H]1CC1(C)C 841452145 YZUGFNMCGVOXAK-SFYZADRCSA-N 185.267 2.167 0 20 AEAD CC/C=C\COC(=O)/C=C(/C)COC 845450086 UVFRKNABPHJPOJ-XUTLIFGGSA-N 198.262 2.089 0 20 AEAD CCC[C@H](C)c1noc([C@H](C)NC)n1 848621107 IVUFEVXMJJUOML-YUMQZZPRSA-N 197.282 2.254 0 20 AEAD CC[C@@H](C)CONc1cnc(F)cn1 853642117 HCAPKNZQTAQYBP-SSDOTTSWSA-N 199.229 2.005 0 20 AEAD C[C@H]1C[C@H]1C(=O)OCCCC1CC1 869318262 NBDRJSYDCHASKE-WCBMZHEXSA-N 182.263 2.376 0 20 AEAD Cc1ccc(CN2CC(C)(C)C2)cn1 877717666 OLVGRVJGUVOYAO-UHFFFAOYSA-N 190.290 2.232 0 20 AEAD FC[C@H]1CCN(Cc2ccccc2)C1 880292088 URQYORMMGUNWKY-GFCCVEGCSA-N 193.265 2.478 0 20 AEAD FC[C@H]1CCN(CCC2CCC2)C1 880300141 OQYOONVBDNLBTQ-LLVKDONJSA-N 185.286 2.468 0 20 AEAD C[C@H]1CCC[C@@H]1CC(=O)N1CC=CC1 910014654 UMYSBFBHJPIRKQ-WDEREUQCSA-N 193.290 2.211 0 20 AEAD COCc1nnc(C=C2CCCC2)o1 1323011278 HWWVDZRTMSQSPX-UHFFFAOYSA-N 194.234 2.173 0 20 AEAD CC[C@]1(C)CCCN([C@H](C)[C@@H](C)O)C1 1559562855 JZGKOMMWOJCQNZ-IJLUTSLNSA-N 199.338 2.268 0 20 AEAD Cc1cccc(NN[C@H]2CC[C@@H]2F)c1 1898235873 XQASIWZWKVWPCS-QWRGUYRKSA-N 194.253 2.412 0 20 AEAD CC1CCC(N2CCC(=O)CC2)CC1 19802851 FFKGDJGJASSQAU-UHFFFAOYSA-N 195.306 2.230 0 20 AEAD in-vitro CCC(CC)CN[C@@H](C)COC 19904455 OXCJLMNPWHYZOD-VIFPVBQESA-N 173.300 2.047 0 20 AEAD Cc1[nH]cc2c1CCCC2 26050565 ADDWDEYDWIGIAK-UHFFFAOYSA-N 135.210 2.202 0 20 AEAD Nc1c[nH]c2cc(Cl)ccc12 26461950 SFYDPWVTPXHVTA-UHFFFAOYSA-N 166.611 2.404 0 20 AEAD CCC(CC)Nc1cnn(C)c1 35737774 PDJLRMKKLSVORC-UHFFFAOYSA-N 167.256 2.021 0 20 AEAD CCCN[C@@H](C)C(C)(C)C 37469078 PVDKEHBAVXYUKP-QMMMGPOBSA-N 143.274 2.421 0 20 AEAD CCCN[C@H](C)C(C)(C)C 37469079 PVDKEHBAVXYUKP-MRVPVSSYSA-N 143.274 2.421 0 20 AEAD Cn1ccc(NC2CCCCC2)n1 37471862 ZDHXEOJDRXHKHD-UHFFFAOYSA-N 179.267 2.165 0 20 AEAD COc1ccccc1SC[C@@H](C)O 41030934 RYBBHMHQNJJVDM-MRVPVSSYSA-N 198.287 2.168 0 20 AEAD CC(C)CN(C[C@H]1CCCN1)C(C)C 42593428 FVCGLDSDLKPZMD-GFCCVEGCSA-N 198.354 2.105 0 20 AEAD CC[C@@H](C)[C@H](C)NCCCCOC 44656625 DCZGDYBVMBWLRT-MNOVXSKESA-N 187.327 2.437 0 20 AEAD Cc1ccnn1-c1ccccc1F 48218359 GXRORDKMXQUAGB-UHFFFAOYSA-N 176.194 2.320 0 20 AEAD CSCCNCc1cccs1 48436310 FFFWAIYMQXDPDP-UHFFFAOYSA-N 187.333 2.201 0 20 AEAD CC[C@@H]1CCCN(CCCCCO)C1 51019847 SONVMJOOSXDFRI-GFCCVEGCSA-N 199.338 2.271 0 20 AEAD COC[C@H](C)Nc1ccc(F)cc1 53172263 IMEQVSJWWHPNIB-QMMMGPOBSA-N 183.226 2.273 0 20 AEAD CC(C)N(C)CCNC1CCCCC1 53341552 OFIIEOFOWZUNIJ-UHFFFAOYSA-N 198.354 2.249 0 20 AEAD Cc1ccccc1[C@H]1CCN(C)C1 60313194 LSZVWBNBWFDURA-NSHDSACASA-N 175.275 2.414 0 20 AEAD NC[C@@H]1CCCc2sccc21 61326835 DEWAOGITEZGETP-ZETCQYMHSA-N 167.277 2.127 0 20 AEAD C[C@H](N[C@H]1CCOC1)c1ccccc1 69629961 MPBRTGVTQSUDOR-JQWIXIFHSA-N 191.274 2.126 0 20 AEAD CC[C@@H]1CCC[C@H](NCCN(C)C)C1 70562077 ABVUQCTZCXNQNM-NEPJUHHUSA-N 198.354 2.106 0 20 AEAD CC(C)Nc1ccc2c(c1)ncn2C 76633596 QPEPIFXKMHRTGM-UHFFFAOYSA-N 189.262 2.394 0 20 AEAD C[C@H](N)c1ccc2scnc2c1 82397694 OYEMTXBRVDLKKG-LURJTMIESA-N 178.260 2.316 0 20 AEAD CNc1ccc(-c2ncccn2)cc1 82529884 NBCISJMGUKCIMZ-UHFFFAOYSA-N 185.230 2.185 0 20 AEAD Cc1ccc([C@@H](C)NCC[C@H](C)O)o1 82994013 MUZQQLYKHKWAGM-WCBMZHEXSA-N 197.278 2.010 0 20 AEAD CC[C@H](NCC[C@H]1CCCO1)C1CC1 83055760 LBZCTWYCMUAHDX-NEPJUHHUSA-N 197.322 2.334 0 20 AEAD Cc1nn(C)cc1[C@@H](C)NCC(C)C 83569330 XAMCQDYGEUBKCL-SECBINFHSA-N 195.310 2.035 0 20 AEAD CCc1nsc(N[C@H]2CC2(C)C)n1 83668229 ARVSFEKMPDBLCT-LURJTMIESA-N 197.307 2.311 0 20 AEAD Cc1ccc(N[C@@H]2CC=CCC2)nn1 84080444 NOXKBGMBXGCOHJ-SNVBAGLBSA-N 189.262 2.306 0 20 AEAD Cc1ncccc1NC1CCC1 85712260 RLSBFODFPFGLMO-UHFFFAOYSA-N 162.236 2.354 0 20 AEAD C[C@H]1CCCN(CCC(C)(C)O)[C@@H]1C 86234212 WXQJBBCYTAHCTF-WDEREUQCSA-N 199.338 2.268 0 20 AEAD CC[C@@H]1CCCC[C@H]1n1cc(N)nn1 86491387 QJCHDOUQSYPLGL-RKDXNWHRSA-N 194.282 2.002 0 20 AEAD CC[C@H](NC[C@H](CC)CCO)C1CC1 87362642 JKEQBUVIIUQJCW-PWSUYJOCSA-N 199.338 2.173 0 20 AEAD CC1(C)C(=O)[C@H]2CCCC[C@@H]21 87969333 UCKQUWDHMIIOJY-YUMQZZPRSA-N 152.237 2.402 0 20 AEAD CC[C@@H](C)Oc1nc(C)ccc1N 88035824 SPVLEOIRSBFYNZ-MRVPVSSYSA-N 180.251 2.150 0 20 AEAD C[C@H]1CC(C)(C)CC[C@@H]1NC[C@@H](C)O 88126480 YEPURKMVGWKHBK-AXFHLTTASA-N 199.338 2.172 0 20 AEAD CC(C)C1CCN(CC(C)(C)N)CC1 108310289 CNWUVTZZPKEEEI-UHFFFAOYSA-N 198.354 2.092 0 20 AEAD CCC(CC)CNc1cc(F)ncn1 130505830 RMDCWISBUXZBMR-UHFFFAOYSA-N 197.257 2.464 0 20 AEAD C[C@H](CCO)NC[C@H]1CCCC[C@H]1C 134862808 ZYPQPUNRPNYVHX-IJLUTSLNSA-N 199.338 2.173 0 20 AEAD Cc1cc(C=O)c(N)c(C)c1C 169071922 CWBVRJICIOPYOT-UHFFFAOYSA-N 163.220 2.007 0 20 AEAD C/C=C\C(=O)N1CCC[C@@H]1C(C)C 211214822 USRWASFGJSNJQU-AYYIZTPMSA-N 181.279 2.210 0 20 AEAD C/C=C\C(=O)N(C)Cc1ccsc1 211389842 WNWCLBMJUCWXPD-ARJAWSKDSA-N 195.287 2.283 0 20 AEAD CN(C)CCSCc1ccco1 222102821 KVQWQXWHFXJJTE-UHFFFAOYSA-N 185.292 2.074 0 20 AEAD CCC(=O)CCCSc1ncc[nH]1 230825042 STCHLQRSUDRECX-UHFFFAOYSA-N 198.291 2.261 0 20 AEAD CC(C)[C@@H](C)SC[C@H](C)CO 231628401 MYZXWLOZPNEBIE-RKDXNWHRSA-N 176.325 2.393 0 20 AEAD Cc1cc(CCCC(N)=O)c(C)s1 238475590 PGRQDQHKPIAXGF-UHFFFAOYSA-N 197.303 2.173 0 20 AEAD O[C@@H]1CC[C@@H]1c1cccc(F)c1 238660978 UDXKIOIYNDRBCW-NXEZZACHSA-N 166.195 2.064 0 20 AEAD C[C@@H]1CC[C@H]1N[C@H]1C=CCCC1 306243289 UBEGTDXSYOQDKS-OUAUKWLOSA-N 165.280 2.483 0 20 AEAD C[C@@H]1CCN(CCc2cscn2)C1 306299889 YQNWAQSLNMFPFK-SECBINFHSA-N 196.319 2.027 0 20 AEAD CC(C)(C)C1CC(N[C@@H]2CCOC2)C1 306417169 RVUCVHSMTYUBDJ-HSOILSAZSA-N 197.322 2.190 0 20 AEAD FCCN[C@@H]1CCc2cc(F)ccc21 307106032 JFPAEELBOPKPJB-LLVKDONJSA-N 197.228 2.372 0 20 AEAD CC/C=C/CNc1nnc(C)s1 307373314 SCZZLLMMLDGUOB-SNAWJCMRSA-N 183.280 2.225 0 20 AEAD CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)C1 307493452 ICOSSTCHRPLUTQ-KXUCPTDWSA-N 183.295 2.337 0 20 AEAD C[C@H]1C[C@@H]1CN1CCCSCC1 307562589 ZVUATCLWNCNETR-VHSXEESVSA-N 185.336 2.081 0 20 AEAD CC(C)[C@@H](C)Nc1nc(C2CC2)no1 307684926 WXGRYIKCPIMVQD-SSDOTTSWSA-N 195.266 2.403 0 20 AEAD C[C@H]1C[C@H](C)CN(CCCF)C1 307729958 GIHFNBULBMESOG-UWVGGRQHSA-N 173.275 2.324 0 20 AEAD CCC/C=C/C(=O)N[C@@H]1C[C@H]1CC 308485876 PASMJSQNUMZPSZ-UHHSMLKOSA-N 181.279 2.257 0 20 AEAD CC(C)[C@H](O)CN[C@@H]1[C@@H](C)CC[C@H]1C 308505737 DYYAKRWJEBQLCN-KXNHARMFSA-N 199.338 2.028 0 20 AEAD CC(C)=CCCNCc1cccn1C 308534732 SFQZYSSLNMRLDR-UHFFFAOYSA-N 192.306 2.471 0 20 AEAD CCc1noc(C)c1CN1CCCC1 334231953 VLDWMTHZGDCSIG-UHFFFAOYSA-N 194.278 2.141 0 20 AEAD CCCN(C)C(=O)N[C@H]1CC[C@H](C)C1 335224347 KQSUWVQOUYKZQO-UWVGGRQHSA-N 198.310 2.226 0 20 AEAD CC(C)CNC1CC(C)(F)C1 335373800 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199.294 2.365 0 20 AEAD CCN(CC)C(=N)N[C@@H]1CCC1(C)C 849028254 FVSQDHUSECZNRP-SECBINFHSA-N 197.326 2.041 0 20 AEAD Cc1csc(CN2CC(C)(C)C2)n1 877718096 XCMPWCMJIXZKKW-UHFFFAOYSA-N 196.319 2.293 0 20 AEAD C=C/C=C\CCN1CC[C@@H](C)C1 878031109 QIGJKZNBEYDBIV-DOGVGXBMSA-N 165.280 2.461 0 20 AEAD CCCCNC[C@@]1(C)CCCC[C@@H]1O 906529699 SUEHCXLFPVVQBD-NWDGAFQWSA-N 199.338 2.317 0 20 AEAD CC[C@H](F)C(=O)Nc1ccc(C)cn1 1262591811 XGPZDYCDERSBGS-QMMMGPOBSA-N 196.225 2.077 0 20 AEAD CC[C@@]1(NCC2CC(C)C2)CCOC1 1332980290 LKQOJGORISOOGU-HTAVTVPLSA-N 197.322 2.191 0 20 AEAD C=CC(=O)N1CC(C2CCCCC2)C1 1353215488 PDFLTEXMPCKJFL-UHFFFAOYSA-N 193.290 2.211 0 20 AEAD CCC[C@H](CN1CC2(CCC2)C1)OC 1474568643 GVMLHTHYIWDGEY-LLVKDONJSA-N 197.322 2.287 0 20 AEAD CC(C)OC(=O)c1ccc(F)c(O)c1 1956756740 WZONAWVAPQBAPJ-UHFFFAOYSA-N 198.193 2.097 0 20 AEAD CCCN[C@H](C)c1ccco1 19488254 JQIFNKVSCXUFNB-MRVPVSSYSA-N 153.225 2.340 0 20 AEAD CC(C)(C)[C@H]1CCCC[C@@H]1NCCO 20305925 KSYUJMCVQMBNBB-QWRGUYRKSA-N 199.338 2.173 0 20 AEAD C[C@@H](CC(=O)O)NC1CCCCCC1 35748928 KHSWKVLCVULKLD-VIFPVBQESA-N 199.294 2.162 0 20 AEAD CC(C)[C@H](N)c1ccsc1 37466487 HEYNCCJICBFSQU-QMMMGPOBSA-N 155.266 2.404 0 20 AEAD C[C@H]1CCCN1c1cccc(N)c1 37910182 MHHWDYSEKKAECW-VIFPVBQESA-N 176.263 2.258 0 20 AEAD CCOC(=O)[C@H]1CCCC1(C)C 39116416 KKMZHJDUWJPCKX-MRVPVSSYSA-N 170.252 2.376 0 20 AEAD CCCC[C@H](C)C(=O)OCC 39271468 LFLSVOVPJVCWKQ-QMMMGPOBSA-N 158.241 2.376 0 20 AEAD Cc1cccc(SC[C@H](C)O)c1 40696421 USHPPZNPQNKULS-VIFPVBQESA-N 182.288 2.468 0 20 AEAD C[C@@H]1CCCC[C@@H]1N(C)CCCCO 42609629 HYZQRMXRFDUPCA-NEPJUHHUSA-N 199.338 2.269 0 20 AEAD CC[C@H](C)Nc1nccnc1Cl 43537550 FVRKJBXHZTZVKE-LURJTMIESA-N 185.658 2.340 0 20 AEAD CSCCNCCC(C)(C)C 49857741 WYKUZHIJXVTRHM-UHFFFAOYSA-N 175.341 2.375 0 20 AEAD CCC[C@H](C)NC[C@@H](C)N(C)C1CC1 53489412 AABRTCQKOXEDFW-WDEREUQCSA-N 198.354 2.247 0 20 AEAD C[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 65590493 MOHMKGHAJRFVJO-NEPJUHHUSA-N 197.322 2.287 0 20 AEAD C[C@@H](CC1CC1)NCC(F)F 69665572 NAEFVVSZGANNJN-LURJTMIESA-N 163.211 2.030 0 20 AEAD COc1ccc2c([C@H](C)N)c[nH]c2c1 71487958 BGWUEEPZNUCOGW-ZETCQYMHSA-N 190.246 2.196 0 20 AEAD Fc1ccccc1CC[C@H]1CCNC1 75121066 SIIPUNRZNDTYAL-JTQLQIEISA-N 193.265 2.368 0 20 AEAD COCC[C@H](C)Nc1cccc(C)n1 81717333 ZHZTWYFEZBEQBD-JTQLQIEISA-N 194.278 2.227 0 20 AEAD c1ccc2nc([C@H]3CCNC3)ccc2c1 83094610 KCRNMNNJAWSTIT-NSHDSACASA-N 198.269 2.312 0 20 AEAD C[C@H](N[C@@H]1CC=CCC1)C1CC1 84066623 RLRKNCKRPSZDPY-GXSJLCMTSA-N 165.280 2.483 0 20 AEAD CC[C@@H](CCC(F)(F)F)C(=O)O 86338840 INTDPODKZDKABH-YFKPBYRVSA-N 184.157 2.440 0 20 AEAD CC[C@H](C)CNC[C@H](CC)CCO 87362550 DXZOYESJECCWSK-WDEREUQCSA-N 187.327 2.031 0 20 AEAD CC(C)(CO)NCCC1CCCCC1 87473328 JEVBZHLUNOLSPR-UHFFFAOYSA-N 199.338 2.317 0 20 AEAD CN(C)[C@H]1CC(C)(C)C[C@](C)(CN)C1 91691297 ZSPZPUJITRNSAN-CMPLNLGQSA-N 198.354 2.092 0 20 AEAD CC(C)(C)c1cc(CO)ccc1O 95093428 SCDJGJZJYBXZRS-UHFFFAOYSA-N 180.247 2.182 0 20 AEAD CCC[C@H](SC)C(=O)OCC 96373377 XPHHNGRIIJYQHS-ZETCQYMHSA-N 176.281 2.081 0 20 AEAD Cc1cc(F)cc2c1C(=O)CCO2 104683751 ANSARKUZNVLFML-UHFFFAOYSA-N 180.178 2.099 0 20 AEAD c1coc(-c2nnc(C3CC3)o2)c1 111862178 LFJKILZUADDHSK-UHFFFAOYSA-N 176.175 2.207 0 20 AEAD CCC(CC)Cn1ccccc1=O 123857073 JAJRXHIWGZEJKT-UHFFFAOYSA-N 179.263 2.285 0 20 AEAD CNC[C@H](C)CN[C@H]1CCC(C)(C)C1 129528331 NZHSIKHFTVPDDD-QWRGUYRKSA-N 198.354 2.010 0 20 AEAD CC(C)CC(=O)N(C)C1CCC1 143559917 XOJDBBWEIKMRTR-UHFFFAOYSA-N 169.268 2.043 0 20 AEAD C#CCCOC(=O)c1cccc(F)c1 145690063 XEEYKPFLJCYZDR-UHFFFAOYSA-N 192.189 2.006 0 20 AEAD C[C@@H](NC1CCC(N)CC1)C(C)(C)C 162718871 MKCJWWLXOHDSJX-KPPDAEKUSA-N 198.354 2.281 0 20 AEAD CC[C@H](CO)N[C@@H]1CC[C@@H](C)C[C@@H]1C 164452755 YRSFMCDZDKAENR-WRWGMCAJSA-N 199.338 2.172 0 20 AEAD CC[C@@H](C)CNCC1(CO)CCCC1 168588054 MPMNUKZSDMHMML-LLVKDONJSA-N 199.338 2.175 0 20 AEAD COc1cccc([C@@H](C)O)c1Cl 205332392 UAHWQPDEDJTOSY-ZCFIWIBFSA-N 186.638 2.402 0 20 AEAD in-vitro C/C=C\C(=O)NC1C(C)(C)C1(C)C 211951726 GMHZGMOXHNXCDR-SREVYHEPSA-N 181.279 2.113 0 20 AEAD CCCOCC(=O)Nc1ccsc1 227640138 DSLNHIPXRUTGFZ-UHFFFAOYSA-N 199.275 2.113 0 20 AEAD C[C@@H]1CNc2nc3ccccc3n2C1 235364521 VOJWNNOEIGZLJO-MRVPVSSYSA-N 187.246 2.098 0 20 AEAD O=C1CN=Nc2cc(F)ccc21 238611726 ICTUCQOZVSUTLU-UHFFFAOYSA-N 164.139 2.106 0 20 AEAD CC(C)[C@H](C)NC[C@@H]1CCCC[C@H]1O 251315059 LAWDKQYMMYLDAQ-SDDRHHMPSA-N 199.338 2.172 0 20 AEAD CC[C@@H](O)CN[C@@H]1[C@@H](C)CCC[C@H]1C 252804996 FAJATYQVUXBTDU-KXNHARMFSA-N 199.338 2.172 0 20 AEAD C1CCCC(NC2CSC2)CC1 259813201 SRUQTRZJJZWNIV-UHFFFAOYSA-N 185.336 2.414 0 20 AEAD CC(C)CC(=O)N[C@@H]1CCC[C@@H]1C 306276777 FGAFUTQHLOKVGX-VHSXEESVSA-N 183.295 2.337 0 20 AEAD FC(F)CN1C[C@H]2CCCC[C@@H]2C1 306435779 LIUUZYXCBIFMQQ-RKDXNWHRSA-N 189.249 2.374 0 20 AEAD C/C=C(/C)C(=O)Nc1ncc(C)s1 306450280 YXQFRRYDHOECSS-XQRVVYSFSA-N 196.275 2.356 0 20 AEAD C[C@@H]([C@@H](C)O)N1CCC2(CCCC2)C1 306597748 OUKWOPQANVTVMB-WDEREUQCSA-N 197.322 2.022 0 20 AEAD C[C@H](Cn1cncn1)C1CCCCC1 307139010 IJTJIYRCTCEQPJ-SNVBAGLBSA-N 193.294 2.495 0 20 AEAD C1=C(CCN2CCOCC2)CCCC1 307254909 YSDJMBDGSXYTBX-UHFFFAOYSA-N 195.306 2.209 0 20 AEAD CCc1noc([C@H](C)SC)n1 307691426 PUIDKGIDRUGULY-YFKPBYRVSA-N 172.253 2.056 0 20 AEAD CS[C@H](C)CN[C@H]1CC[C@@H]1C 307717444 MXWBOWWPQVFXDH-YIZRAAEISA-N 173.325 2.126 0 20 AEAD Cc1cc([C@H](C)[C@H](C)O)cnc1C 307751839 PNNHUSTXXVJKFD-SCZZXKLOSA-N 179.263 2.183 0 20 AEAD CCC1(C(=O)OC/C=C\Cl)CC1 308015306 PKUVKCQGVCPCJG-UTCJRWHESA-N 188.654 2.472 0 20 AEAD CC[C@H](C)[C@H](C)C(=O)N(CC)OC 308308837 PWCWKLSYFQKRTK-IUCAKERBSA-N 187.283 2.079 0 20 AEAD OCc1cccc(NCCC2CC2)c1 308512851 KYQSGQGVASWBQV-UHFFFAOYSA-N 191.274 2.391 0 20 AEAD C[C@@H]1C[C@H]1CNCCOC1CCCC1 308662665 QWYCZANXOJNYGR-MNOVXSKESA-N 197.322 2.191 0 20 AEAD CC[C@H](C)CNC[C@H]1CCC[C@@H]1OC 308763970 ZLAJACFBLAVYPG-TUAOUCFPSA-N 199.338 2.437 0 20 AEAD CC(C)(C)OC(=O)/C=C/C(F)F 313275286 ZGLONWZKYVXQKI-SNAWJCMRSA-N 178.178 2.149 0 20 AEAD C[C@H]1CCCN(Cc2cc[nH]n2)[C@@H]1C 334219008 FIWGQFARZZJUGT-VHSXEESVSA-N 193.294 2.030 0 20 AEAD CCC1(C(=O)N2CCC=C(F)C2)CC1 334430072 UVOVYICYUBFCTO-UHFFFAOYSA-N 197.253 2.262 0 20 AEAD C[C@@H](C(=O)N[C@@H]1CC=CCC1)C1CC1 334493806 UFJDKYVKYVMFDU-MWLCHTKSSA-N 193.290 2.257 0 20 AEAD CC(C)(C(=O)NC1CCC1)C1CCC1 334723063 CLYPQNFPYGVOSQ-UHFFFAOYSA-N 195.306 2.481 0 20 AEAD CC1(CSc2nc[nH]n2)CCC1 336195157 NYPVMHURQMKPKN-UHFFFAOYSA-N 183.280 2.087 0 20 AEAD CN(Cc1cccnc1)[C@H]1CC1(C)C 336366737 WPOIZTORHINIQS-NSHDSACASA-N 190.290 2.312 0 20 AEAD CC[C@H]1C[C@H](C)CN1Cc1ccon1 336484582 WXOOZFXZQDBDDG-ONGXEEELSA-N 194.278 2.295 0 20 AEAD CC(C)CN[C@@H](C)C[C@@H]1CCOC1 379393797 VQGKTTOIQWYNDF-QWRGUYRKSA-N 185.311 2.047 0 20 AEAD CCC(CC)NC(=O)[C@@H](F)C(C)C 379404462 ROCAKSAQLCQVHT-VIFPVBQESA-N 189.274 2.285 0 20 AEAD CCC[C@H](C(=O)NC1CC1)C(C)C 388220381 HWKNDVJFEUGDPS-JTQLQIEISA-N 183.295 2.337 0 20 AEAD CCCCN1CCC[C@@H](COC)C1 388821332 UCNMBBHIIHYHEB-LLVKDONJSA-N 185.311 2.145 0 20 AEAD CCC(=O)CCN(CC)CC(C)C 393538571 NOLZTBLQOKLBEI-UHFFFAOYSA-N 185.311 2.334 0 20 AEAD CCCC(=N)NOCC1CCCC1 393718408 VWHYICXVDIHZFJ-UHFFFAOYSA-N 184.283 2.475 0 20 AEAD C[C@H](CCO)CCN[C@@H]1CC[C@@H](C)C1 397745446 YLWYTILWOLDVHF-QJPTWQEYSA-N 199.338 2.173 0 20 AEAD CCC(CC)N[C@@H](C)C1CCNCC1 400440915 FAHGPIKVOONZDK-JTQLQIEISA-N 198.354 2.153 0 20 AEAD CC[C@H](N[C@H]1CO[C@@H](C)C1)C(C)C 401947570 SBJPYSKAEQPGPC-AXFHLTTASA-N 185.311 2.188 0 20 AEAD CC(C)c1n[nH]c(C(C)C)c1CCO 409438828 GCWXVOHUWQELRZ-UHFFFAOYSA-N 196.294 2.191 0 20 AEAD CC1(CSCCCF)COC1 596350804 OVXKAKAFPKLEQD-UHFFFAOYSA-N 178.272 2.116 0 20 AEAD CNC(=O)Nc1ccc(C2CC2)cc1 606262608 KCNHOIPOJBGHQB-UHFFFAOYSA-N 190.246 2.315 0 20 AEAD CC1(COc2ccccc2F)COC1 607023463 PDWQFKLZZOUHEQ-UHFFFAOYSA-N 196.221 2.241 0 20 AEAD O=C(Nc1ccsc1)C1CSC1 631344848 CQNWHQSVDOLFKG-UHFFFAOYSA-N 199.300 2.050 0 20 AEAD CC1=CC[C@H](N[C@@H](C)C[C@H](C)O)CC1 646157512 IUXBPNDRTFLUAE-SRVKXCTJSA-N 197.322 2.234 0 20 AEAD CC(C)[C@@H]1C[C@H]1CN[C@H]1CCO[C@@H]1C 648767702 STCYHFYIYFRKMO-RHYQMDGZSA-N 197.322 2.046 0 20 AEAD CC[C@@H](C)CNC[C@@H]1CCCC[C@H]1O 648785742 BLUSDPLPFIECBI-GRYCIOLGSA-N 199.338 2.173 0 20 AEAD Cc1csc(-c2c[nH]nc2C)n1 656371543 HLOJWQZSMZOQOL-UHFFFAOYSA-N 179.248 2.150 0 20 AEAD CC[C@H](N[C@@H]1C[C@]1(C)OC)C(C)C 658334639 PWMFUKXHYVIDCP-AXFHLTTASA-N 185.311 2.188 0 20 AEAD CCCN(C)CCc1cncs1 662640112 ZUSJEPLGTDYPIO-UHFFFAOYSA-N 184.308 2.027 0 20 AEAD CO[C@H](C)c1nc(C)c(C)s1 663218808 IAVLWMSAGYYNMZ-ZCFIWIBFSA-N 171.265 2.467 0 20 AEAD CCC(C)(C)NC(=O)CCCF 665916217 UMHCTNKHHPZCEX-UHFFFAOYSA-N 175.247 2.041 0 20 AEAD CC(C)[C@@H](N)CN[C@H]1CCCC1(C)C 666741384 FIEUXVVBOOUOGJ-QWRGUYRKSA-N 198.354 2.138 0 20 AEAD CCN[C@H](C)CN[C@@H]1CCCC[C@H]1C 666877389 HAAAXMWUDNRGOO-IJLUTSLNSA-N 198.354 2.153 0 20 AEAD CC1(C)CCN([C@H]2CCCOC2)CC1 674301671 UIVNMFLSBUEXKD-NSHDSACASA-N 197.322 2.287 0 20 AEAD CC[C@@H](C)CN(C)CC1=CCCOC1 678172703 IPEBXYUQDTXMLF-LLVKDONJSA-N 197.322 2.311 0 20 AEAD CCOCCN1CC[C@H](C)[C@H]1CC 681470484 UXAXJRJGKGUWRP-WDEREUQCSA-N 185.311 2.143 0 20 AEAD C[C@H](CNC(=O)[C@H]1C[C@H]1C)C(C)(C)C 734340423 QKFPURVYTMJOCS-BBBLOLIVSA-N 197.322 2.441 0 20 AEAD Cc1ccc(COC(=O)C(C)C)nc1 772247613 YTSZVMANJPSYMT-UHFFFAOYSA-N 193.246 2.089 0 20 AEAD O=C(OCCC1CC1)C1[C@H]2CCC[C@H]12 776692554 QORPHNJVGCSMAC-UWVGGRQHSA-N 194.274 2.376 0 20 AEAD C/C=C/C=C\C(=O)N1CCC[C@@H]2C[C@H]21 804295380 YDVUMKVWHFEGCG-ZPYDPTTRSA-N 191.274 2.130 0 20 AEAD C/C=C/COC(=O)/C=C(/C)CC 835096132 XVPRBNOZQFWWLK-UFEJRDAESA-N 168.236 2.462 0 20 AEAD CC/C=C/COC(=O)CCCF 850785610 CORQPODAHBTREQ-ONEGZZNKSA-N 174.215 2.246 0 20 AEAD Cc1noc(OC[C@@H](C)C(C)(C)C)n1 865356655 NAZWZNJXPZRKGL-SSDOTTSWSA-N 198.266 2.439 0 20 AEAD CCC/C=C\C(=O)Nc1ccccn1 920443150 SQLUMNOXVUGJPW-YWEYNIOJSA-N 190.246 2.376 0 20 AEAD CCCC[C@H](CC)CN1CC[C@@H]1CO 934013800 BLHRDTOPVISNIZ-NWDGAFQWSA-N 199.338 2.269 0 20 AEAD CC[C@@H]1CC[C@@]12N=C(C1CCC1)NO2 1262829478 MIQVJOGPVWAHTM-KOLCDFICSA-N 194.278 2.236 0 20 AEAD O=C(Nc1cccc(F)c1)[C@H]1C[C@H]1F 1337702449 KCNUMDPBTIJTMW-DTWKUNHWSA-N 197.184 2.122 0 20 AEAD Cc1ccc(Cl)c2c(C=O)n[nH]c12 14985886 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C[C@H](CCO)N[C@H](C)CC(C)(C)C 384968519 SUPKKWDFTJIFTF-NXEZZACHSA-N 187.327 2.172 0 20 AEAD CCC[C@@H](CNC[C@H](C)C1CC1)OC 386509896 WZLVEHDWDKIQOP-JQWIXIFHSA-N 199.338 2.437 0 20 AEAD CC(C)C[C@@H]1C[C@H]1C(=O)NC(C)C 387752942 ZOAHPHSMCORQNK-NXEZZACHSA-N 183.295 2.193 0 20 AEAD CO[C@H](C1CC1)[C@@H](C)N[C@H](C)C(C)C 388283095 NVXXGMAJXZVECP-FOGDFJRCSA-N 199.338 2.434 0 20 AEAD COCC(C)(C)N(C)C/C=C\Cl 388391925 CPYIXPWIYAWHET-WAYWQWQTSA-N 191.702 2.096 0 20 AEAD CCCCCNC(=O)N(C)C(C)C 388938982 WQHDSICTSXMNTJ-UHFFFAOYSA-N 186.299 2.226 0 20 AEAD CC[C@@H]1CC[C@@H](C)C[C@@H]1NC[C@H](C)O 389218771 MBWWOKWDTPHXGJ-KXNHARMFSA-N 199.338 2.172 0 20 AEAD CNC[C@H](C)CN[C@H](C)CCC1CC1 398105755 VPSJRFJWVQPDLX-WDEREUQCSA-N 198.354 2.010 0 20 AEAD C[C@@H](NCC1=CCCC1)[C@@H]1CCOC1 401119743 NBKXWPJUPOAKGV-ZYHUDNBSSA-N 195.306 2.111 0 20 AEAD Cc1ccnc(CSCCCO)c1 591134312 KZZAUXVJICFQKF-UHFFFAOYSA-N 197.303 2.006 0 20 AEAD O=C(CCCF)NC1CC2(CCC2)C1 616565187 RTILSBWCFWKKCW-UHFFFAOYSA-N 199.269 2.185 0 20 AEAD Cc1ccccc1CN1C[C@H]2C[C@H]2C1 628408082 SYKATPYBJGCIMF-BETUJISGSA-N 187.286 2.447 0 20 AEAD C[C@H]1[C@H](C)CCN1C[C@@H]1CCO[C@@H]1C 639512086 UQMXAVZALZUVPQ-KXNHARMFSA-N 197.322 2.142 0 20 AEAD CC/C=C\CN=c1cc[nH]cc1F 641617414 HYMDBSJONBADSH-ARJAWSKDSA-N 180.226 2.021 0 20 AEAD C[C@@H]1C[C@@H]1CNC(=O)C[C@H]1C=CCC1 642377102 FQDRKRMVTRACAL-OUAUKWLOSA-N 193.290 2.115 0 20 AEAD CCNCCCN[C@@H]1CCCC[C@H]1C 643498813 CEBYFHYAZXFWTC-VXGBXAGGSA-N 198.354 2.154 0 20 AEAD C[C@@H](CF)N[C@H](C)Cc1ccoc1 648589074 MMCWRKVWHSJNRY-BDAKNGLRSA-N 185.242 2.158 0 20 AEAD CCCN(Cc1cn[nH]c1)C(C)C 656268784 GJKNHPHGHISXBY-UHFFFAOYSA-N 181.283 2.030 0 20 AEAD CCC[C@@H]1[C@H](C)CCCN1C[C@@H](C)O 656471448 GLYBDSJDPFPEOM-IJLUTSLNSA-N 199.338 2.268 0 20 AEAD C[C@@H]1O[C@H](C)C[C@@H]1N[C@]1(C)CC1(C)C 657760849 AJLQYKMYMFDSGI-FYLLDIAZSA-N 197.322 2.331 0 20 AEAD CC(C)(C)[C@H]1CCCN(CCCN)C1 666715309 PVWZGFFVLCETLZ-NSHDSACASA-N 198.354 2.093 0 20 AEAD CCCC[C@@H](CN)NC[C@@H](C)CC 666759205 QJDUHSCXLVMDLE-QWRGUYRKSA-N 186.343 2.140 0 20 AEAD CC(C)[C@@H]1CN(CC2CCC2)CCO1 679222577 OIEZHXLBULCGCM-LBPRGKRZSA-N 197.322 2.143 0 20 AEAD CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC1(C)C 681225650 GMWLGKBKWRLGSV-IVZWLZJFSA-N 195.306 2.193 0 20 AEAD C[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 684515202 RWULMEKUDJNIOL-CHWFTXMASA-N 195.306 2.195 0 20 AEAD C[C@H]1CCCC[C@H]1CN(C)[C@H](C)CO 685458711 CMABVVHTDAGGBP-TUAOUCFPSA-N 199.338 2.125 0 20 AEAD CCCCC[C@H](C)NC[C@H]1C[C@H](N)C1 693548004 XVGMNMBJQDFTOR-SRVKXCTJSA-N 198.354 2.282 0 20 AEAD CCc1ccc(CNC2CSC2)o1 702030580 PFFKXPVZCIABJJ-UHFFFAOYSA-N 197.303 2.047 0 20 AEAD CC1(CC(=O)NC[C@@H]2C=CCC2)CC1 711707530 VFBCSKCKQMJHDM-SNVBAGLBSA-N 193.290 2.259 0 20 AEAD CC[C@H](C)C(=O)NC[C@H]1C=CCC1 711744715 RXTROHGXJWLBSQ-UWVGGRQHSA-N 181.279 2.115 0 20 AEAD O=C(O)N[C@@H]1CSc2ccccc21 739927688 DFFLXYBGRHNPQV-SSDOTTSWSA-N 195.243 2.101 0 20 AEAD CC(C)=C(C)C(=O)N1CCC[C@@H]2C[C@H]21 804301541 RKBLLFSIMDJYFA-GHMZBOCLSA-N 193.290 2.354 0 20 AEAD CC[C@H](C)C(=O)NOC[C@H](C)CC 816977978 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668698688 GBHPVJLDLRZNFL-QWRGUYRKSA-N 199.338 2.314 0 20 AEAD C[C@@H]1CCCN1C(=O)[C@@H]1CC12CCC2 675336200 ZJJVHFLAFXHMNF-ZJUUUORDSA-N 193.290 2.188 0 20 AEAD CCCn1nc(C2CC2)nc1C1CC1 676559746 VEUPCBKJKAJDKB-UHFFFAOYSA-N 191.278 2.443 0 20 AEAD CCCCCN1CCN(CC)[C@@H](C)C1 677192521 MXRQTDQERMHLON-LBPRGKRZSA-N 198.354 2.203 0 20 AEAD C[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1C 678023005 RUFUEFDLFPUCIC-NXEZZACHSA-N 195.306 2.291 0 20 AEAD CC(C)=CCCNC(=O)N(C)C(C)C 682885179 CZZKNDOERLWQOQ-UHFFFAOYSA-N 198.310 2.393 0 20 AEAD C=C/C=C\CCNC(=O)OC1CCC1 713519224 ABBYPZQAZCJLSI-ARJAWSKDSA-N 195.262 2.397 0 20 AEAD C(=C/[C@@H]1CCCNC1)\c1cccnc1 718976506 PLMKMQKPFRSCNG-FYJFLYSWSA-N 188.274 2.094 0 20 AEAD CC1(C)CCN1C(=O)[C@H]1CC12CCC2 759796529 KTOZBOQEMUTJBN-SECBINFHSA-N 193.290 2.188 0 20 AEAD C[C@H](N[C@@H]1C=CCC1)[C@@H]1CCCOC1 850510313 SOXGPJQKPQNTSN-QJPTWQEYSA-N 195.306 2.110 0 20 AEAD CC1(C)CC[C@@H]1NC(=O)CCCF 854455277 FUPYLDNAVFRYEC-QMMMGPOBSA-N 187.258 2.041 0 20 AEAD CC(C)c1cnn(CCOC2CC2)c1 877884791 DHZREXSYACUQMW-UHFFFAOYSA-N 194.278 2.186 0 20 AEAD C=C/C=C/CCn1ccc(OCC)n1 877887360 RPQHYBBEQGBTHF-AATRIKPKSA-N 192.262 2.414 0 20 AEAD CC(C)CCCNCC[C@H](O)C1CC1 898203698 HEPOMZKOYRDVKM-LBPRGKRZSA-N 199.338 2.173 0 20 AEAD CCc1nnc(C2=C(C)OCCC2)o1 1118129128 MYJVNHKKMHNMAY-UHFFFAOYSA-N 194.234 2.173 0 20 AEAD CC(C)OCCc1nnc(C(C)C)o1 1257646221 ADSATGDSECJVET-UHFFFAOYSA-N 198.266 2.161 0 20 AEAD CC[C@H]1CCN(C(=O)CC2CC2)[C@H]1C 1517658638 ZPBXHIMSBGDCNW-ONGXEEELSA-N 195.306 2.434 0 20 AEAD CC/C=C\CCN(CC)[C@@H](C)C(=O)O 1589627092 HFRKLBUBALBDFB-GFVADAIESA-N 199.294 2.138 0 20 AEAD CCCCC(=O)NC(C)(C)C 5458006 FQLFIDDQEJIRBY-UHFFFAOYSA-N 157.257 2.091 0 20 AEAD CCN[C@@H](C)c1cccc(F)c1 19483057 DZZMWMNBMFGXPX-QMMMGPOBSA-N 167.227 2.496 0 20 AEAD CC[C@H](C)N[C@H](C)C1CC1 19882225 VBYOMGRLRHEATH-JGVFFNPUSA-N 141.258 2.173 0 20 AEAD COC[C@@H](C)N[C@@H]1CCC[C@@H](C)C1 19904407 RASVYQBJEKVYBH-GMTAPVOTSA-N 185.311 2.190 0 20 AEAD CCC[C@@H](C)OC(=O)CC 32154122 IPVKBEOJURLVER-SSDOTTSWSA-N 144.214 2.128 0 20 AEAD Cc1cc(C)nc(NCC(C)C)n1 35206233 TULYLWWFGOCWCR-UHFFFAOYSA-N 179.267 2.161 0 20 AEAD Fc1ccc(CCNCC2CC2)cc1 36154556 LLVIZZGCZNXGJI-UHFFFAOYSA-N 193.265 2.368 0 20 AEAD COCCNC(C)(C)CC(C)(C)C 42254678 QATNKFXRSDOTLG-UHFFFAOYSA-N 187.327 2.437 0 20 AEAD Cc1ncc(CN[C@@H]2CC2(C)C)s1 44370316 AQXYJNXMOAIWFH-SECBINFHSA-N 196.319 2.340 0 20 AEAD COCCCCNCC(C)(C)C 44658205 TZLWCCGHXRCIFV-UHFFFAOYSA-N 173.300 2.049 0 20 AEAD CCC[C@@H](C)N[C@H](C)COCC 44689747 UQSOZKNYCUKODO-NXEZZACHSA-N 173.300 2.190 0 20 AEAD C=CC(=O)N[C@@H](C)c1cc(C)oc1C 44730772 ZULLSEQKCCILSM-QMMMGPOBSA-N 193.246 2.260 0 20 AEAD CC[C@@H](C)CN[C@@H](C)c1cnn(C)c1 54469614 UBTYJFABSGAJKM-ZJUUUORDSA-N 195.310 2.117 0 20 AEAD CCCc1ccccc1OCCCO 58855645 ZAWTZPTYZUXTGY-UHFFFAOYSA-N 194.274 2.400 0 20 AEAD CC1(C)CCCN1CCCCC(=O)O 63067570 SHIGWSNCNJPQQV-UHFFFAOYSA-N 199.294 2.116 0 20 AEAD CC(C)C(=O)N[C@@H]1CCCC[C@H]1C 70223910 BANIFEHOBISZMV-NXEZZACHSA-N 183.295 2.337 0 20 AEAD CCCN(C(=O)C(C)C)C(C)C 81560961 YFBLDDPIBBLXOE-UHFFFAOYSA-N 171.284 2.289 0 20 AEAD C[C@H]1CCC[C@H]1NC1CCC(N)CC1 83391228 KPPDSQYBXJVEMJ-WNYYMSAVSA-N 196.338 2.035 0 20 AEAD CC[C@@H](C)CSC[C@@H](C)CO 85139138 NQYCZECDKGNVEN-BDAKNGLRSA-N 176.325 2.394 0 20 AEAD C[C@H](O)[C@@H](C)c1cccc(F)c1 85658333 AGRSUYLMLDYPQX-SFYZADRCSA-N 168.211 2.310 0 20 AEAD O=C(O)c1ccc(C2CCC2)o1 107120684 SNKSOUQFKOVCFT-UHFFFAOYSA-N 166.176 2.245 0 20 AEAD CCNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 123593561 LMBDIAXGCKMDIN-LPEHRKFASA-N 198.310 2.130 0 20 AEAD Clc1cnc(NC2CC=CC2)nc1 131112341 KNISGNJUOIVQDC-UHFFFAOYSA-N 195.653 2.261 0 20 AEAD CCC[C@H](C)N[C@@H](C)[C@@H]1CCOC1 131844347 CGCHENDTPWPZNV-GARJFASQSA-N 185.311 2.190 0 20 AEAD CC(C)CCCNC(=O)NC(C)C 135932261 FJKIAQITLCXWJM-UHFFFAOYSA-N 186.299 2.130 0 20 AEAD CC(C)C(C)(C)CNCc1cc[nH]n1 218975449 FMHIVBLHZYGYMO-UHFFFAOYSA-N 195.310 2.182 0 20 AEAD C[C@H]1C[C@H](C)CC[C@@H]1NCCCCO 226182888 LMSHYODXVODVPF-WOPDTQHZSA-N 199.338 2.173 0 20 AEAD CCCCCCN1CC[C@H](N)[C@@H](C)C1 226936807 YLCNGZDWDRBZSH-RYUDHWBXSA-N 198.354 2.236 0 20 AEAD CCCNc1ccnc(F)c1 227639694 LLQMAXLQRWUDMY-UHFFFAOYSA-N 154.188 2.043 0 20 AEAD CCCCNC[C@](C)(CC)OC 232984960 WBSXFQMLOLNCFZ-JTQLQIEISA-N 173.300 2.191 0 20 AEAD CC[C@H](O)CN[C@@H]1CCCCC[C@H]1C 251066177 ITMCGCCJOBVICZ-GRYCIOLGSA-N 199.338 2.316 0 20 AEAD CC[C@@H](C)N1CCC[C@](C)(O)CC1 300306668 GFTSHPZBTLZNGY-MNOVXSKESA-N 185.311 2.022 0 20 AEAD OCCN[C@H]1CCCCC12CCCC2 306168764 CNNWCPSALBSCEL-NSHDSACASA-N 197.322 2.071 0 20 AEAD C[C@H]1[C@H](C)CCN1C[C@H]1CCSC1 306222673 RBWKKABOVRCFSZ-OUAUKWLOSA-N 199.363 2.470 0 20 AEAD C[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@@H](C)S1 306372024 JJGYESZWBSSSRG-DBIOUOCHSA-N 199.363 2.468 0 20 AEAD Cc1ncc(NC(=O)C(C)C)s1 306446449 SILZACQKFRGPBD-UHFFFAOYSA-N 184.264 2.046 0 20 AEAD CC1=CCN(c2nnc(C)s2)CC1 306520583 KCSNUEVZXBATCR-UHFFFAOYSA-N 195.291 2.003 0 20 AEAD CC(C)C(=O)N[C@@]1(C)CC=CCC1 306602958 DCFKFKOASNNELN-NSHDSACASA-N 181.279 2.257 0 20 AEAD O[C@@H]1CCCC[C@H]1c1ccns1 307185641 SLAOTMLEZGMJHB-HTQZYQBOSA-N 183.276 2.162 0 20 AEAD CC(C)CNC1(C2CC2)CC1 307622103 CLOCXMWOAGWPQZ-UHFFFAOYSA-N 153.269 2.175 0 20 AEAD CC/C=C/CN[C@@H]1CCSC1 307715350 HMEXFKWBUXWHAS-CDAZIORVSA-N 171.309 2.048 0 20 AEAD COC[C@H](C)SCC1CC1 307743649 MLGLDXSEMYVUKW-ZETCQYMHSA-N 160.282 2.165 0 20 AEAD CC(C)CCC(=O)N[C@H]1CC1(C)C 308133678 CROKVUIJRTUMNT-VIFPVBQESA-N 183.295 2.337 0 20 AEAD CC(C)[C@H](C)SCc1cn(C)nn1 308144892 LAIKHDWYHUFVEW-QMMMGPOBSA-N 199.323 2.093 0 20 AEAD CS[C@H](C)CC(=O)OCC1CC1 308145675 KAORHSZMEMUFOJ-SSDOTTSWSA-N 188.292 2.081 0 20 AEAD CCC[C@@H](C)c1noc(COC)n1 308243694 TYKUMHLYVAOZED-SSDOTTSWSA-N 184.239 2.120 0 20 AEAD C[C@H](SCC1CC1)c1nncn1C 308305979 ONBOEWIJZUVHPA-ZETCQYMHSA-N 197.307 2.019 0 20 AEAD CS/C=C\C(=O)NC[C@H](C)C1CC1 308313930 UUSYXFCRDJDKJG-SLGIHZDVSA-N 199.319 2.025 0 20 AEAD COC[C@H](C)CN[C@@H]1CC=C(C)CC1 308596657 MUGULPJVSNHCLK-VXGBXAGGSA-N 197.322 2.357 0 20 AEAD C[C@H](CCO)N[C@H]1CCC12CCCC2 308600975 AQSMLGAVPTYDAS-MNOVXSKESA-N 197.322 2.070 0 20 AEAD C[C@@H]1C[C@@H](CCNCC2CC2)CCO1 308653772 MQOGNPKSBLLBRA-MNOVXSKESA-N 197.322 2.191 0 20 AEAD CN(C[C@H]1CCCOC1)[C@@H]1CC1(C)C 335002480 XRKPVZZOQVEBJU-GHMZBOCLSA-N 197.322 2.143 0 20 AEAD C[C@H]1C[C@@H](NCC2CCCCC2)CO1 335424741 HLFYTMIELYLOMZ-CMPLNLGQSA-N 197.322 2.334 0 20 AEAD CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCC1 335650819 PSNLZLJZGNPNDJ-GHMZBOCLSA-N 195.306 2.291 0 20 AEAD CCC1(N[C@@H]2CCC[C@H](OC)C2)CC1 379734250 CKKBWUPPDMWGFY-MNOVXSKESA-N 197.322 2.476 0 20 AEAD CC[C@@H]1CN([C@@H](C)CC(C)C)C[C@H]1O 400037114 KJXROIDJPURYES-QJPTWQEYSA-N 199.338 2.124 0 20 AEAD CCCCN(C)C[C@@H]1CCO[C@H]1C 639432920 DCNRPSUXMOEPSJ-QWRGUYRKSA-N 185.311 2.143 0 20 AEAD C[C@@H]1CCN1C(=O)C12CCC(CC1)C2 641243058 KUDZNDBKGPRWPO-GRZMOONWSA-N 193.290 2.188 0 20 AEAD CCCCCNC(=O)N[C@@H](C)C1CC1 641998156 HVTONMIUKCKANN-VIFPVBQESA-N 198.310 2.274 0 20 AEAD C[C@H](N)C[C@H](C)NCC1(C)CCCC1 643469046 JNSIGXINVMOVLA-QWRGUYRKSA-N 198.354 2.282 0 20 AEAD CC[C@@H](N)CN[C@@H](C)c1cccs1 643540306 STORUALIGQFJAM-DTWKUNHWSA-N 198.335 2.136 0 20 AEAD CCC[C@H](NC[C@H](C)O)C(C)(C)C 649931949 NKOZJSZOWSVDPZ-UWVGGRQHSA-N 187.327 2.172 0 20 AEAD CC[C@@H]1OCC[C@H]1N[C@@H]1C=CCCC1 657365833 JWEWJNGSUNARKX-UTUOFQBUSA-N 195.306 2.252 0 20 AEAD CC(C)=CCCN1CCO[C@@H](C)[C@H]1C 660012828 UXYGGEDNFKROQD-NEPJUHHUSA-N 197.322 2.452 0 20 AEAD CC(C)N(C)C(=O)N[C@]1(C)CC1(C)C 660050330 DBSQYYQQBCRFQQ-LLVKDONJSA-N 198.310 2.225 0 20 AEAD CO[C@@](C)(C1CC1)[C@@H](C)NC(C)C 665110384 ZNXNSPRHJYKMFT-MWLCHTKSSA-N 185.311 2.188 0 20 AEAD COC1CC(Oc2ccccc2F)C1 666185142 GFBKDCYBMKCWKG-UHFFFAOYSA-N 196.221 2.382 0 20 AEAD C[C@H]1C[C@@H](C)CN1CCOC1CCC1 672543904 FTAFNTDWLQJFTJ-MNOVXSKESA-N 197.322 2.286 0 20 AEAD C[C@H](C(=O)N1[C@@H](C)CC[C@@H]1C)C1CC1 675121039 YBIOVCKLJAOHTQ-GUBZILKMSA-N 195.306 2.432 0 20 AEAD O=C(NCCC1CC1)[C@H]1CC12CCC2 675333942 OKRNQCIRDTYXNU-SNVBAGLBSA-N 193.290 2.093 0 20 AEAD CCC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 679893204 YUBUWEMDCVEODB-AXFHLTTASA-N 195.306 2.434 0 20 AEAD CC[C@@H]1COC[C@H]1N[C@@H]1CCC1(C)C 699468725 IEWDNYWBFDFSJK-GMTAPVOTSA-N 197.322 2.190 0 20 AEAD CC[C@@H](C)[C@@H](C)N(CCO)CC1CC1 708489615 CHXOZNIELKDNIG-GHMZBOCLSA-N 199.338 2.125 0 20 AEAD CC(C)[C@@H]1C(F)(F)[C@]12CCCNC2 719060526 IIOAQAIDBSBMQJ-IUCAKERBSA-N 189.249 2.277 0 20 AEAD CCc1ocnc1C(=O)OCC(C)C 740268772 WXONIPVFJUFIOA-UHFFFAOYSA-N 197.234 2.050 0 20 AEAD CC/C=C(\C)C(=O)N1C[C@@H](C)[C@@H](C)C1 751969887 XWQHLZDQKFZNHX-RJSYSCLSSA-N 195.306 2.457 0 20 AEAD C/C(=C/C(=O)N1CC(F)C1)C(C)(C)C 753072044 UJIDQRYTMUZREX-YVMONPNESA-N 199.269 2.159 0 20 AEAD CC1(C(=O)NCCC2CCC2)CCC1 755500198 NUYGEDMKFWLGDR-UHFFFAOYSA-N 195.306 2.483 0 20 AEAD CC(C)=CCOC(=O)c1ccn(C)c1 775278392 JUQBKXOMHSPATM-UHFFFAOYSA-N 193.246 2.148 0 20 AEAD C=C=CCNC(=O)c1ccc(C=C)cc1 816700569 KYOVTSCEGWZAES-UHFFFAOYSA-N 199.253 2.401 0 20 AEAD C[C@@H]1CN(C(=O)O)[C@H]1c1ccccc1 826021161 QYKDAAOBFYOMGH-PSASIEDQSA-N 191.230 2.357 0 20 AEAD C=C=CCNC(=O)C1=CCCCCC1 848113928 COJVLFXJQBLGAN-UHFFFAOYSA-N 191.274 2.334 0 20 AEAD CC1(C)C[C@@H]1C(=O)N[C@@H]1CC12CCC2 874785052 QHQRZOUDHRHSFQ-RKDXNWHRSA-N 193.290 2.091 0 20 AEAD C[C@H]1C[C@H]1C(=O)Oc1ccccc1F 876008960 OVZSXWZYXZYYRO-JGVFFNPUSA-N 194.205 2.387 0 20 AEAD C[C@H](CC1CC1)NC1(C)CC1 1254230911 ULOQFIMCERANNY-MRVPVSSYSA-N 153.269 2.317 0 20 AEAD CC[C@H](CO)N1CC[C@H](C)C(C)(C)C1 1334785215 RVNDYSOSACNVRY-WDEREUQCSA-N 199.338 2.125 0 20 AEAD C[C@H]1CC=C(C(=O)NC2(C)CC2)CC1 1347986197 GXWIWZFSFGLYAQ-VIFPVBQESA-N 193.290 2.402 0 20 AEAD C[C@@H]1C[C@@]1(N)c1ccccc1F 11886192 VVZSOIAUIWWFRI-XCBNKYQSSA-N 165.211 2.020 0 20 AEAD CCCNC(=S)NC(C)(C)CC 13823590 UCPLAMYYEMSLQL-UHFFFAOYSA-N 188.340 2.049 0 20 AEAD CN(C1CC1)[C@H]1C=CCCC1 17772247 NSKBQQDPVOKPMK-VIFPVBQESA-N 151.253 2.189 0 20 AEAD COC(=O)[C@@H](C)CSCC(C)C 35756679 YLKQCHIHUBFLGK-QMMMGPOBSA-N 190.308 2.185 0 20 AEAD CC[C@@H](C)NC(=O)NCCC(C)C 36179593 BWBFWNNCLXQQBT-SECBINFHSA-N 186.299 2.130 0 20 AEAD CCC[C@H](C)c1nn(C)c(N)c1CC 36916282 IVEKOIDZNOSDNV-QMMMGPOBSA-N 195.310 2.468 0 20 AEAD 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0 20 AEAD Cc1cccnc1NC[C@H]1C[C@H]1C 167099613 NMLPBOGGYUBBAU-NXEZZACHSA-N 176.263 2.458 0 20 AEAD CCN1Cc2cccc(F)c2C1 201830907 ROZYOTQDACBMLA-UHFFFAOYSA-N 165.211 2.161 0 20 AEAD CC[C@H](C)CNCC1(C)CC1 221316815 QEZSOHIOUHVWPD-VIFPVBQESA-N 155.285 2.422 0 20 AEAD CCC1(CN[C@H]2CCO[C@@H](C)C2)CC1 223179465 AIJNCQKEZAKUKW-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD CN(C)c1cccc2ccn(C)c12 230459911 RNVAHZDRLCKQTJ-UHFFFAOYSA-N 174.247 2.244 0 20 AEAD CCC[C@@H]1C[C@H]1Nc1nnc(C)s1 231663960 BLJXXYJOLIUWNL-HTQZYQBOSA-N 197.307 2.447 0 20 AEAD CSC1(CNC/C=C/Cl)CC1 235123326 ZIAGCXVUYXXURY-GORDUTHDSA-N 191.727 2.224 0 20 AEAD CN(CCCO)CCC1CCCCC1 258926493 GSHQCWMSTRGNDU-UHFFFAOYSA-N 199.338 2.271 0 20 AEAD Cc1noc(C[C@@H]2CCC[C@@H]2C)n1 306267316 QIALNKMEGHNSSF-CBAPKCEASA-N 180.251 2.357 0 20 AEAD Cc1cc([C@H]2CCC[C@H]2O)sn1 306273836 ADAOWTAYWYWPKL-JGVFFNPUSA-N 183.276 2.080 0 20 AEAD CS[C@H](C)c1nnc(C2CC2)o1 306494488 XIJBVDURICZISZ-RXMQYKEDSA-N 184.264 2.371 0 20 AEAD CCN1CCC[C@@H]1c1cccn1C 306552866 IYQUNTIUOWDZIH-LLVKDONJSA-N 178.279 2.182 0 20 AEAD C[C@@H]1CC[C@@H]1Nc1cccc(CO)c1 306709761 ROWTVYFRQPRRTJ-SKDRFNHKSA-N 191.274 2.389 0 20 AEAD CCc1noc([C@@H]2CCCS2)n1 306950579 ZMAOJEOIXKAXOQ-LURJTMIESA-N 184.264 2.200 0 20 AEAD CC(C)C(=O)NCC1CC(C)(C)C1 307022988 VFTOSDFLWLLOIE-UHFFFAOYSA-N 183.295 2.195 0 20 AEAD C[C@H]1CCC[C@@H]1NC(=O)C1(C)CC1 307267742 FDWXEJWPJTUZLP-IUCAKERBSA-N 181.279 2.091 0 20 AEAD CC[C@H](C)COC(=O)[C@H]1C[C@H]1C 307950692 NXEDWVSLHTZCKJ-YIZRAAEISA-N 170.252 2.232 0 20 AEAD CC(C)CCCN(C)[C@@H]1CCOC1 308252146 ICPIJAVTXJHYIA-LLVKDONJSA-N 185.311 2.143 0 20 AEAD CCC[C@@H](C)C(=O)NC1(C)CCC1 308287554 FFNMNXBRAPPZGO-SECBINFHSA-N 183.295 2.481 0 20 AEAD CCC(C)(C)CC(=O)N(C)C1CC1 308307695 PJAAGJJDKDJBNB-UHFFFAOYSA-N 183.295 2.434 0 20 AEAD CCC1(C(=O)OCCF)CCCC1 308325858 FHKDIZXPFFLPDC-UHFFFAOYSA-N 188.242 2.470 0 20 AEAD C[C@@H](O)CN(C)[C@@H]1C=CCCCCC1 308466823 YCTFMWHZTQSSPG-VXGBXAGGSA-N 197.322 2.188 0 20 AEAD CC[C@H](N[C@H](C)CCCO)[C@@H]1C[C@@H]1C 322011576 IWZQTHWMFKKXGQ-QCNOEVLYSA-N 199.338 2.172 0 20 AEAD CC[C@@H](C)CNC[C@](C)(CC)OC 322762636 GMVIRWZBYDTEMY-MNOVXSKESA-N 187.327 2.437 0 20 AEAD C[C@H]1CC[C@@H](C)N1CC1CCOCC1 334142149 MHXRIZPHGOVLAY-PHIMTYICSA-N 197.322 2.286 0 20 AEAD C[C@H]1CCN([C@H]2CCOC2)CC1(C)C 334255978 ZCHABXHUZPWKMI-QWRGUYRKSA-N 197.322 2.143 0 20 AEAD CCC1CN(C(=O)[C@@H](C)C2CCC2)C1 335585355 PDHDZGIALWQDJY-VIFPVBQESA-N 195.306 2.291 0 20 AEAD C[C@@H]1CC[C@@H](C)N1C(=O)NC(C)(C)C 336450373 UATYZRXDCRZYHU-RKDXNWHRSA-N 198.310 2.367 0 20 AEAD Cc1cc(CN(C)C2CCCC2)no1 336554734 QLLRCSLXQGJBCU-UHFFFAOYSA-N 194.278 2.357 0 20 AEAD CCCN(C)C(=O)[C@H](C)C(C)C 388500969 MDUBTZNIISUCAW-SECBINFHSA-N 171.284 2.147 0 20 AEAD CCCC[C@H](C)C(=O)N(C)C1CC1 388720356 SGLPXHZMZFFLES-VIFPVBQESA-N 183.295 2.434 0 20 AEAD CCC[C@]1(NCCC2CC2)CCOC1 389244179 ZTNJGPRGRNAYHM-LBPRGKRZSA-N 197.322 2.335 0 20 AEAD C[C@@H](CC(C)(C)C)NCCCCO 395029939 PWHCVVVYYDSQLP-JTQLQIEISA-N 187.327 2.173 0 20 AEAD C[C@@H](CC(C)(C)O)NC1CC(C)(C)C1 395301774 RMCFNXAADSYHND-VIFPVBQESA-N 199.338 2.314 0 20 AEAD CCC(CC)CN1C[C@@H](C)C[C@@H](O)C1 401592755 SMHZJDKVMPYUNF-CMPLNLGQSA-N 199.338 2.125 0 20 AEAD C[C@@H]1C[C@H](Nc2ccc(F)cc2)CO1 401977108 WJLFOAKSCZOCHM-KCJUWKMLSA-N 195.237 2.415 0 20 AEAD CCCN[C@H](C)[C@@H]1CC12CC2 527843380 NMJMZUPNPSHYEJ-BDAKNGLRSA-N 153.269 2.175 0 20 AEAD COC(=O)c1cc(SC)oc1C 594937625 OPTZITLMSVKRPF-UHFFFAOYSA-N 186.232 2.097 0 20 AEAD OCCCSC[C@H]1C[C@H]2C=C[C@@H]1C2 600557153 POGOFEIPCGCGHT-HBNTYKKESA-N 198.331 2.314 0 20 AEAD CCCN(CC1CCCCC1)C(N)=O 616982681 YSCBZVMQXBIWHT-UHFFFAOYSA-N 198.310 2.357 0 20 AEAD CCCN(CCC)Cc1ncc(C)[nH]1 628118677 DRNPLGUNAMTHQN-UHFFFAOYSA-N 195.310 2.340 0 20 AEAD O=C(c1ccco1)N(C1CC1)C1CC1 628819419 VRIYNDZNVJVCEX-UHFFFAOYSA-N 191.230 2.047 0 20 AEAD CC[C@@H](CN1[C@H]2CCC[C@H]1CC2)OC 642693095 STMYSBUIVXWKFG-SRVKXCTJSA-N 197.322 2.428 0 20 AEAD CC(C)CCNC(=O)[C@]12CCC[C@H]1C2 643298408 FOSRMYJNJVKGGT-JQWIXIFHSA-N 195.306 2.339 0 20 AEAD CCC[C@H](N[C@H](C)CN)C1CCCC1 643519713 QGKLQUJLEAKWMS-PWSUYJOCSA-N 198.354 2.282 0 20 AEAD CN(CCC(C)(C)C)C[C@H]1C[C@@H](O)C1 646029016 VHWLQXPETGEXCX-PHIMTYICSA-N 199.338 2.125 0 20 AEAD CCNC(=O)N[C@H](C)CCC=C(C)C 650115778 OKLWKPPWQXLEPQ-SNVBAGLBSA-N 198.310 2.440 0 20 AEAD CCCCNC(=O)N[C@]12CCC[C@@H]1C2 656539427 PCEHBXUJCHFYJW-KOLCDFICSA-N 196.294 2.028 0 20 AEAD C[C@H](CC1CCCC1)N[C@H]1C[C@H](O)C1 658350336 ORAMWRISEZAACR-YUSALJHKSA-N 197.322 2.068 0 20 AEAD CC[C@H](C)CCNC(=O)N(C)C1CC1 665977763 KVFCLHQVIWXMBV-VIFPVBQESA-N 198.310 2.226 0 20 AEAD Cc1ccc(CN(C)CC(C)C)cn1 675515763 NLXXXJKXNYDEIN-UHFFFAOYSA-N 192.306 2.478 0 20 AEAD CC(C)OCCN1CC[C@H]2CCC[C@@H]21 681710555 UMLJFTVZEXXONV-NEPJUHHUSA-N 197.322 2.286 0 20 AEAD COCC(C)(C)CN(C)CCC1CC1 683162746 QISXJNLQPZWPNL-UHFFFAOYSA-N 199.338 2.391 0 20 AEAD CC1CC(CNC[C@@H]2CCCOC2)C1 700820711 SVQHHCMBFDFVJI-CXQJBGSLSA-N 197.322 2.049 0 20 AEAD CC(C)=CC(=O)NC[C@H]1C=CCC1 711670620 WDDORSXEPUTOPA-JTQLQIEISA-N 179.263 2.035 0 20 AEAD C=C/C=C\CCN[C@@H](CO)C(C)(C)C 713749440 PLTPYAJCEWOPSG-ZADCQDASSA-N 197.322 2.115 0 20 AEAD CC(C)=CC(=O)OCC(=O)CC(C)C 751623784 NFGFYKLGGDPLGH-UHFFFAOYSA-N 198.262 2.111 0 20 AEAD CC(C)N(C)C(=O)NCCC1CCC1 756117918 BWPGVWZARDLQEJ-UHFFFAOYSA-N 198.310 2.226 0 20 AEAD C[C@H]1[C@H](C)CCN1C[C@H]1CCC=CO1 774913778 QORGZGKDPSOGDR-GRYCIOLGSA-N 195.306 2.409 0 20 AEAD C[C@@H]1CC[C@H](C(=O)NOC2CCC2)C1 812794065 PACBGEOARCZVBG-BDAKNGLRSA-N 197.278 2.023 0 20 AEAD C/C=C(/C)C(=O)NOC[C@@H](C)CC 816980109 FOVKOOIVZOBSJL-HWPCKVLBSA-N 185.267 2.047 0 20 AEAD CC/C(C)=C\C(=O)OC1CCOCC1 835256664 RDWUKRWWMOFWAU-HJWRWDBZSA-N 198.262 2.065 0 20 AEAD CCCN(C)C(=O)N[C@]1(C)CC1(C)C 851833666 ITNLFUNGPZBNKB-LLVKDONJSA-N 198.310 2.226 0 20 AEAD C/C=C(\C)C(=O)N1C[C@@H]2CCCC[C@@H]21 855061808 ZFPHFCOOKDMHDK-HJUGMNLHSA-N 193.290 2.354 0 20 AEAD C/C=C/C=C\C(=O)N(C)[C@H](C)C1CC1 881284722 PPMPSWYVDAMADP-DRPLVDAUSA-N 193.290 2.376 0 20 AEAD Cl/C=C(/Cl)CN1C[C@H]2C[C@H]2C1 886345231 VFFAPXCAFHLKCD-LEJQGJFQSA-N 192.089 2.257 0 20 AEAD CC(C)SCCN(C)CCCF 887142413 JJTPSNBXVSUNSV-UHFFFAOYSA-N 193.331 2.419 0 20 AEAD CCCN(C)Cc1cnc(F)cc1C 891578190 JNNKJBXQEWTFJM-UHFFFAOYSA-N 196.269 2.371 0 20 AEAD CC[C@H](C)CN1CC[C@H](N(C)C)[C@@H]1C 931041114 HHNGGSIZLGBICB-SRVKXCTJSA-N 198.354 2.057 0 20 AEAD C(SC1CC1)c1nnc(C2CC2)o1 1118366512 YTVUPKGFDMRYHL-UHFFFAOYSA-N 196.275 2.343 0 20 AEAD CC[C@H](F)C(=O)N1[C@H](C)CC[C@H]1C 1337183095 KSTVEUKZTNRSSR-HLTSFMKQSA-N 187.258 2.134 0 20 AEAD O=C(CC1CCC1)NC/C=C\Cl 1351904901 GIWSCNDWIHSLAI-DJWKRKHSSA-N 187.670 2.045 0 20 AEAD C[C@H]1CCCN(C[C@H]2CC[C@@H](C)O2)C1 1645441648 DBXWQVLFYNHLSR-QJPTWQEYSA-N 197.322 2.286 0 20 AEAD CC(C)[C@@H]1C[C@H]1N[C@H]1CCOC[C@H]1C 1660952317 XHCMVWXJHSYDNB-NOOOWODRSA-N 197.322 2.046 0 20 AEAD CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCO 16954242 UEOWJXFTQUIPJC-UTUOFQBUSA-N 199.338 2.029 0 20 AEAD CCCC(CCC)NCCN(C)C 19277375 ODSRYYXMLPBVQQ-UHFFFAOYSA-N 186.343 2.106 0 20 AEAD CCCN(CC)CCCCCCN 37095220 VEYNXEJWRDIIEG-UHFFFAOYSA-N 186.343 2.237 0 20 AEAD c1cc(CNCC2CCCC2)ccn1 37252247 QJBUIGFKHHMGNE-UHFFFAOYSA-N 190.290 2.361 0 20 AEAD C[C@@H]1CCCC[C@H]1Nc1ccn(C)n1 37471786 VNSKHHLTIHDYRE-NXEZZACHSA-N 193.294 2.411 0 20 AEAD C[C@H](NCCCCN)C1CCCCC1 37715462 NZCKOVKEIOJNAX-NSHDSACASA-N 198.354 2.284 0 20 AEAD COc1cccc(OCC2CC2)c1 38218618 QDUFFJFZNJYLIV-UHFFFAOYSA-N 178.231 2.484 0 20 AEAD CCN(CC)C/C=C/Cl 41392071 INYDDUCHULCIBX-AATRIKPKSA-N 147.649 2.081 0 20 AEAD CC[C@H](NC[C@H](C)COC)C(C)C 45657628 RSJJHCZFCIANMI-QWRGUYRKSA-N 187.327 2.293 0 20 AEAD Cc1ccsc1[C@H](C)NC[C@H](C)O 69636281 PMUCQTIQBOVYTE-IUCAKERBSA-N 199.319 2.088 0 20 AEAD CC[C@@H](C)N1CCC(CCNC)CC1 69730272 IMWZCPGUGQGBKZ-LLVKDONJSA-N 198.354 2.106 0 20 AEAD C/C=C/C(=O)N1C[C@@H](C)C[C@@H](C)C1 82551515 UQTWWZHIHZFRQZ-XYBNDFSHSA-N 181.279 2.067 0 20 AEAD COC[C@H](NCc1ccoc1)C(C)C 83398557 IHHDPPHRGFUPKG-NSHDSACASA-N 197.278 2.040 0 20 AEAD Cn1ccc(CN[C@@H]2CC=CCC2)c1 85604708 ZXPNXCCIYHWZAZ-GFCCVEGCSA-N 190.290 2.223 0 20 AEAD COC[C@@H](C)N[C@H]1CCCC1(C)C 86855672 NKQAZODFUUSZKN-ZJUUUORDSA-N 185.311 2.190 0 20 AEAD CC1(C)CCC[C@@H]1NC[C@@H]1CCCO1 86855781 HWELZOUQPSHHKJ-QWRGUYRKSA-N 197.322 2.334 0 20 AEAD CCC[C@@H](CC)NC(=O)CCC(C)=O 88218536 LYXHCZGDYVOEDY-SNVBAGLBSA-N 199.294 2.051 0 20 AEAD CNCC[C@H]1CCCC(F)(F)C1 108291637 BTTPXOIRDLTEQI-MRVPVSSYSA-N 177.238 2.421 0 20 AEAD CCC1=NN(CCC(C)C)C(=O)[C@H]1C 110454864 YOCPVBBHHWGMNK-VIFPVBQESA-N 196.294 2.277 0 20 AEAD Oc1cc2cccc(F)c2cn1 116065668 ZMVAAIMUESJOOM-UHFFFAOYSA-N 163.151 2.080 0 20 AEAD Cc1csc(CNC[C@@H]2C[C@@H]2C)n1 124318703 VUWIZHVNGYJWMN-CBAPKCEASA-N 196.319 2.197 0 20 AEAD CCC(C)(C)N(C)C(=O)N1CCCC1 127427723 ZYWGVSLUSHCMKM-UHFFFAOYSA-N 198.310 2.323 0 20 AEAD C[C@H]1CCCCN1C(=O)NC(C)(C)C 135738024 XLHXVJZRPBQYAX-VIFPVBQESA-N 198.310 2.369 0 20 AEAD O=C(O)C[C@]12CCCC[C@@H]1C2 139864174 LCHODWLQWHOOQS-VXNVDRBHSA-N 154.209 2.041 0 20 AEAD CC(C)(C)c1c(N)ncnc1Cl 143715118 QGJPSHOQDJUDIM-UHFFFAOYSA-N 185.658 2.010 0 20 AEAD COc1ccc2nc(F)ccc2c1 148385368 XRRUOZBSPBSFFM-UHFFFAOYSA-N 177.178 2.383 0 20 AEAD CCC(=O)O[C@H]1CC[C@H](C)C1 148858421 CUFNFKBTSHAEEZ-YUMQZZPRSA-N 156.225 2.128 0 20 AEAD CCC[C@@H](C)Nc1ncc(F)cn1 158596009 NLBIRONVOVVEGK-SSDOTTSWSA-N 183.230 2.216 0 20 AEAD CCCCN[C@H](C)C1CCOCC1 166223243 PNYDJFIZLXHFGB-SNVBAGLBSA-N 185.311 2.191 0 20 AEAD Cc1nc(Cl)c2c(C)coc2n1 213030841 IERXYHPQZGATDZ-UHFFFAOYSA-N 182.610 2.493 0 20 AEAD CCCC[C@@H](CC)CNC(=O)NC 220543498 YVGSDKYJFMEPQW-SECBINFHSA-N 186.299 2.132 0 20 AEAD CO[C@@H](C)CN[C@@H]1C[C@@H](C)CC[C@@H]1C 223875634 DIZUZXQHSKXTOF-FIQHERPVSA-N 199.338 2.436 0 20 AEAD CC(C)(C)C(=O)NC[C@H]1CC1(C)C 226227786 JATNUZVROWARNW-MRVPVSSYSA-N 183.295 2.195 0 20 AEAD CCc1nn(C)cc1NC1CC(C)C1 231790023 KHWPACOUFYJTBJ-UHFFFAOYSA-N 193.294 2.193 0 20 AEAD CC[C@@H]1CCCN1CCC[C@H](C)O 251570233 BWDKGIUPEVEMJB-WDEREUQCSA-N 185.311 2.022 0 20 AEAD CC[C@H](C)CN[C@H]1CC[C@@H](CO)CC1 252739945 LNUATDWVGWSSOS-SDDRHHMPSA-N 199.338 2.173 0 20 AEAD C[C@H]1CC[C@H](NCc2cc[nH]n2)CC1 252966147 SJKWVCNPEAJXIF-MGCOHNPYSA-N 193.294 2.078 0 20 AEAD c1ccc(-c2cn3c(n2)CCCC3)nc1 258386939 MZDRGRRXZDWMAC-UHFFFAOYSA-N 199.257 2.281 0 20 AEAD CC(C)C[C@@H](C)CSCCO 300998049 WQYXSLVJSBAZOX-SECBINFHSA-N 176.325 2.394 0 20 AEAD Cn1cccc1CN[C@@H]1CCC[C@@H]1F 306656711 JFBVXAUNCQDHOS-WDEREUQCSA-N 196.269 2.005 0 20 AEAD CC(C)CN[C@H]1CCC(F)(F)C1 307711241 SONPRBLDAYCEBU-QMMMGPOBSA-N 177.238 2.420 0 20 AEAD CCN(CC1CC1)C[C@H]1C[C@@H]1C 308002732 BLYGWYILYPQIIY-GXSJLCMTSA-N 167.296 2.374 0 20 AEAD CC(C)=CCNC(=O)[C@@H](C)C1CC1 308135065 DTDDTIXGOIMZKM-VIFPVBQESA-N 181.279 2.115 0 20 AEAD CO[C@H](CNCCC(C)C)C(C)C 308305869 NZGVGJJTABKROW-LLVKDONJSA-N 187.327 2.293 0 20 AEAD CCC[C@@H](C)C(=O)NC(C)(C)CF 308390593 ZIHJQXRWWQAMKQ-MRVPVSSYSA-N 189.274 2.287 0 20 AEAD CCc1cc(CN[C@@H](C)C(C)C)[nH]n1 308551976 XVYVYLJDHRMTCH-VIFPVBQESA-N 195.310 2.106 0 20 AEAD CC1(C)CCN(C(=O)C2(C)CCC2)C1 335403474 FZBCMKBQZBXRAQ-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD C[C@@H]1C[C@H]1CNC[C@H]1CC1(C)C 379311786 QSQCQAUIDBSPPL-KXUCPTDWSA-N 167.296 2.278 0 20 AEAD CCC(=O)N(CC)CC(C)(C)C 379319963 TZCNESUONWBXTQ-UHFFFAOYSA-N 171.284 2.291 0 20 AEAD C[C@H](CC(C)(C)C)NC[C@H]1CCCN1 384515641 INEBPPXRLAMIDD-GHMZBOCLSA-N 198.354 2.153 0 20 AEAD CCCN1CCC[C@]1(CO)CCC 388274303 IKKGTWOWKRCWNC-NSHDSACASA-N 185.311 2.023 0 20 AEAD C[C@H](N[C@H](C)CC1CCC1)C(C)(C)O 389229168 AILXRSROZRCUHQ-ZJUUUORDSA-N 199.338 2.314 0 20 AEAD CO[C@@H](C)CCNC(C1CC1)C1CC1 389331075 VCMSTRFTFVKSPX-VIFPVBQESA-N 197.322 2.190 0 20 AEAD C[C@@H](NCC1(C)CC1)[C@]1(C)CCCO1 393440165 NEAKTZDFWYSIBR-PWSUYJOCSA-N 197.322 2.334 0 20 AEAD C[C@@H]1CC[C@H]1NCC(C)(C)C(C)(C)O 393641386 WQCIWOMIQIRJNT-NXEZZACHSA-N 199.338 2.172 0 20 AEAD CC(C)C[C@H](C)NC(=O)[C@H]1C[C@H]1C 393716518 UXYBXRKHDGYNBQ-UTLUCORTSA-N 183.295 2.193 0 20 AEAD CC[C@H](C)[C@@H](C)NCC1(N(C)C)CC1 397823249 ABKIKBAOAHONHU-WDEREUQCSA-N 198.354 2.105 0 20 AEAD C[C@H]1C[C@@H](NCC2=CCCCC2)CO1 401901409 QTOLXCPSVDYQIK-CMPLNLGQSA-N 195.306 2.254 0 20 AEAD CC1(NC(=O)c2ccco2)CC=CC1 606262961 ONZFVOFGADXBQP-UHFFFAOYSA-N 191.230 2.118 0 20 AEAD 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186.299 2.082 0 20 AEAD CC(C)NC(=O)NCCC(C)(C)C 136004746 LNDKZKTVRMIFOE-UHFFFAOYSA-N 186.299 2.130 0 20 AEAD CCC(=O)OCC(CC)CC 140293804 YJKXXWQTIJDTET-UHFFFAOYSA-N 158.241 2.376 0 20 AEAD C[C@@](F)(CN)c1cccc(Cl)c1 156452103 NQVMVXKOZOABGE-SECBINFHSA-N 187.645 2.483 0 20 AEAD C[C@@H](CCO)CN[C@@H](C)CC1CCC1 156952257 MUAVOFZCKWQYRC-QWRGUYRKSA-N 199.338 2.173 0 20 AEAD C[C@@H]1CC[C@@H](NCCOCC2CC2)C1 164532781 BWAJDTQSGUPVOD-ZYHUDNBSSA-N 197.322 2.191 0 20 AEAD c1cc2[nH]ncc2cc1C1CC1 165968166 LTBUIGRDYXEGEY-UHFFFAOYSA-N 158.204 2.440 0 20 AEAD CC(C)=CCNCc1cncs1 232619097 CUDOYTFZFMRTIW-UHFFFAOYSA-N 182.292 2.199 0 20 AEAD CC(C)=CCNC1CC(C)C1 232783856 WIOZPPKTKGFCJY-UHFFFAOYSA-N 153.269 2.341 0 20 AEAD C[C@H]1CCC[C@H]1NCCCCC(=O)O 235572205 GLNOUUZCVASFKK-VHSXEESVSA-N 199.294 2.020 0 20 AEAD OC[C@H](F)Cc1ccc(Cl)cc1 238704166 MJFLFGFQLRKGQK-SECBINFHSA-N 188.629 2.213 0 20 AEAD C[C@@H](CCO)N[C@H]1C[C@H](C)CC[C@@H]1C 252201115 WHVPSZCQMJLQSK-RHYQMDGZSA-N 199.338 2.172 0 20 AEAD 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2.111 0 20 AEAD CCC[C@@H](C)CN[C@H](C)CF 307920033 IFUJDNZPWVNQFD-RKDXNWHRSA-N 161.264 2.370 0 20 AEAD CC[C@H](C)CC(=O)N(C)C(C)C 308005496 CZNBBPDMEHMUGG-VIFPVBQESA-N 171.284 2.289 0 20 AEAD C/C=C(\C)C(=O)N(CC)C(C)C 308063285 XKIZHIFKMDSZCA-RMKNXTFCSA-N 169.268 2.210 0 20 AEAD C[C@H](NCC(C)(C)N)c1cccs1 308216430 ZWMVHIRAHUACAX-QMMMGPOBSA-N 198.335 2.136 0 20 AEAD CC[C@H](NC[C@](C)(O)CC)[C@@H]1C[C@@H]1C 321512822 NDODKTMUSOSMFG-WHOHXGKFSA-N 199.338 2.172 0 20 AEAD CC[C@H](NC[C@H](C)OC)C1CCC1 322404237 TWBODYLXVMHNRY-ONGXEEELSA-N 185.311 2.190 0 20 AEAD COC[C@@]1(C)CCN(C2CCCC2)C1 334144741 IIVULQGLPDJTOA-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CCN(C(=O)[C@H]1CC[C@@H](C)C1)C1CC1 334351926 HBHYIMQQMZCWFE-ZJUUUORDSA-N 195.306 2.434 0 20 AEAD CC[C@H](C)c1nc([C@H]2CCOC2)no1 334790764 XONJJTSBQUHOIZ-YUMQZZPRSA-N 196.250 2.087 0 20 AEAD CCC(C)(C)CC(=O)N1CC2(CC2)C1 335400128 MXVHHRDYCPUUCI-UHFFFAOYSA-N 195.306 2.435 0 20 AEAD CC[C@@H](C)N1C[C@H](C)OC2(CCC2)C1 335465007 QUDMEGWXCFABKC-MNOVXSKESA-N 197.322 2.428 0 20 AEAD CC1(C)CC[C@@H](C(=O)N2CCCC2)C1 335795745 WSISUCMWVXDTHR-SNVBAGLBSA-N 195.306 2.435 0 20 AEAD COCc1noc(C2CCCCC2)n1 335958560 RDJRIBIRFLZCDC-UHFFFAOYSA-N 196.250 2.264 0 20 AEAD CN([C@@H]1C=CCCC1)C(C)(C)C(=N)O 336261061 KJDQPUWGMVGMLF-SECBINFHSA-N 196.294 2.341 0 20 AEAD CCC1(NC(=O)[C@H]2CC[C@H](C)C2)CC1 336306088 LTOFLASTEUCLCW-UWVGGRQHSA-N 195.306 2.481 0 20 AEAD Cc1ccnc(N2CCC[C@@H](F)C2)c1 336339993 GJYSTFHZDZMBTE-SNVBAGLBSA-N 194.253 2.328 0 20 AEAD CC(C)=CCOC(=O)[C@H]1C[C@@H]1C 378678883 SQEWUBNYVSHDNC-IUCAKERBSA-N 168.236 2.152 0 20 AEAD CC(C)OC[C@H](C)NCC(C)(F)F 378875328 YULGRTQJWKIMJM-QMMMGPOBSA-N 195.253 2.045 0 20 AEAD CCCCC(=O)N1CC(C)(C)C1 379312877 CJIVFLSDMWAZOP-UHFFFAOYSA-N 169.268 2.045 0 20 AEAD C[C@@H](CCC1CC1)NCc1cocn1 379578558 UGZJYEJZWNZLPZ-VIFPVBQESA-N 194.278 2.343 0 20 AEAD CC(C)=CCN[C@H]1CCC[C@H]1CCO 379580894 ZZMLNCLMAVSCGU-RYUDHWBXSA-N 197.322 2.093 0 20 AEAD CO[C@@H](C)CCN[C@@H]1CCC12CCC2 379584191 OAXSGPANYDQPHA-WDEREUQCSA-N 197.322 2.334 0 20 AEAD C[C@H]1COCC[C@H]1NCCC1(C)CC1 379618535 BMJIYAZDHKHGRH-WDEREUQCSA-N 197.322 2.191 0 20 AEAD CCC[C@H](C)NC[C@@H](OC)C1CC1 382104460 HVEJMOYWMPMNIL-GXSJLCMTSA-N 185.311 2.190 0 20 AEAD CCC[C@@H](NC[C@@H](C)O)[C@H]1CC1(C)C 397668491 FCHOKWLLUZMYCM-GMTAPVOTSA-N 199.338 2.172 0 20 AEAD CC[C@H](C)CN(C)c1cc(C)ncn1 599936269 OTMYMRIXXWEMFF-VIFPVBQESA-N 193.294 2.267 0 20 AEAD CC[C@@H](C)NC(=O)NCC1CC(C)C1 621245186 SECRYEJZSBUNFW-HWOCKDDLSA-N 198.310 2.130 0 20 AEAD O=C(CC1CCCC1)N1C[C@@H]2C[C@H]2C1 628498929 ZDCJWKCKIAYXCH-QWRGUYRKSA-N 193.290 2.045 0 20 AEAD CCCN1CC[C@H](O)[C@H]2CCCC[C@@H]21 640094655 IBUFVGAMBDHXME-SRVKXCTJSA-N 197.322 2.022 0 20 AEAD CC(C)CCNC(=O)[C@@]12CCC[C@@H]1C2 643298410 FOSRMYJNJVKGGT-ZYHUDNBSSA-N 195.306 2.339 0 20 AEAD CCC1(CN[C@@H]2CCC[C@@H]2N)CCC1 643461093 QJOHDWJHNAQCLU-WDEREUQCSA-N 196.338 2.036 0 20 AEAD CNCCCN[C@@H]1C[C@@H](C)CC[C@@H]1C 643498599 JGFHSVMRSWEYTD-SDDRHHMPSA-N 198.354 2.010 0 20 AEAD CC(C)CN(C)C[C@@H]1C[C@H]2CC[C@H]1O2 649258695 LQRSBZNMTKVMLS-QJPTWQEYSA-N 197.322 2.142 0 20 AEAD CC/C=C\CN[C@H](C)CCCCO 651412731 YUPLLPFZCOFEQT-VLWUPBBWSA-N 185.311 2.093 0 20 AEAD CC[C@H](C(=O)O)N(C)CCC=C(C)C 659794402 BKHOCWGSWRPKQR-SNVBAGLBSA-N 199.294 2.138 0 20 AEAD CNCCNC[C@@H]1CCCC(C)(C)C1 666778328 LHHMEICRJUKOQF-LLVKDONJSA-N 198.354 2.012 0 20 AEAD CCN[C@H](C)CN[C@@H]1CCC[C@H](C)C1 666877367 AQGMFPJRPMPTOO-QJPTWQEYSA-N 198.354 2.153 0 20 AEAD Cc1cc(CN)cc(C2CCC2)n1 669370725 UTHRBSFJBRCUNA-UHFFFAOYSA-N 176.263 2.116 0 20 AEAD COc1cccc(OC[C@H](C)OC)c1 679847058 LXRRJESKWYITNF-VIFPVBQESA-N 196.246 2.109 0 20 AEAD CC(C)(C)CCCn1ncccc1=O 683737102 PMGDNRZECVDVDE-UHFFFAOYSA-N 194.278 2.070 0 20 AEAD CC(C)C(=O)N(CC1CC1)C1CCC1 684532034 NYVIRAGROKUNMC-UHFFFAOYSA-N 195.306 2.434 0 20 AEAD FC1(F)[C@@H](C2CC2)[C@]12CCCNC2 719049411 UZZSQSUGCQWLTQ-DTWKUNHWSA-N 187.233 2.031 0 20 AEAD C[C@H]1Cc2ccccc2[C@@H]1NC(=O)O 736825622 ODIQHBUZNHFMGN-OIBJUYFYSA-N 191.230 2.188 0 20 AEAD Cc1ccc([C@H](C)C(=O)NC(C)C)o1 742463524 OLLRDLVIIURIEJ-VIFPVBQESA-N 195.262 2.216 0 20 AEAD c1csc(N2CC[C@H](C3CC3)C2)n1 846751834 NSXOHLOOYHUAKX-VIFPVBQESA-N 194.303 2.379 0 20 AEAD O=C(CCCF)OCc1ccccc1 850192061 WSECIFVLNGBPNQ-UHFFFAOYSA-N 196.221 2.480 0 20 AEAD C=C/C=C/CCNC(=O)[C@@H](F)C(C)C 881568394 PLUMPBYATHVSBF-PORFMDCZSA-N 199.269 2.229 0 20 AEAD CCCCCN1C[C@H]2C[C@@H]2C1 886334442 WPDNMLUUMRRWNE-NXEZZACHSA-N 153.269 2.128 0 20 AEAD CC(C)C[C@H](C)N1C[C@@H]2C[C@H]2C1 886348402 LQIZYQIOKAUHPZ-DCAQKATOSA-N 167.296 2.373 0 20 AEAD COCC1CN(CC2CCCCC2)C1 895970680 HVAXBCPBEIIEEO-UHFFFAOYSA-N 197.322 2.145 0 20 AEAD C=COc1ccc(NCCOC)cc1 905112728 GAXFOJOAFCAWJQ-UHFFFAOYSA-N 193.246 2.267 0 20 AEAD CC(C)C[C@H](C)N1CCn2ccnc21 931520731 QRRZQCDTCSKDPO-JTQLQIEISA-N 193.294 2.138 0 20 AEAD CSCC1CCN(CCF)CC1 932588002 XAZSYIFYQNEWBS-UHFFFAOYSA-N 191.315 2.031 0 20 AEAD Cc1ccc([C@@H](C)c2nnc(C)o2)o1 1329238194 IORKFZZSLRYIHH-SSDOTTSWSA-N 192.218 2.431 0 20 AEAD CCC[C@@H]1CCCC[C@@H]1NC[C@@H](C)N 1577377777 WYNRJMSEDDHNIT-UTUOFQBUSA-N 198.354 2.282 0 20 AEAD CC(C)[C@H](N)c1noc(C(C)(C)C)n1 41118033 NXLOPAFJPWGALP-ZETCQYMHSA-N 197.282 2.023 0 20 AEAD CC(C)OCCNC[C@@H]1CC=CCC1 45629542 CNHKVMOAZJSTID-GFCCVEGCSA-N 197.322 2.357 0 20 AEAD CCNc1ccnc(-c2ccoc2)n1 63046935 HEWJJKXHKHEMIL-UHFFFAOYSA-N 189.218 2.168 0 20 AEAD Cc1ccc(N[C@H]2CCOC2)c(F)c1 70965172 SOVGKYCKPUTOAH-VIFPVBQESA-N 195.237 2.335 0 20 AEAD C[C@H]1CN(CCC(C)(C)C)[C@H](C)CN1 82934819 YUOLUXIEMWPKSK-WDEREUQCSA-N 198.354 2.105 0 20 AEAD NC[C@H](NC1CCCCCC1)C1CC1 83758532 KXBKELQTPYUHSN-LBPRGKRZSA-N 196.338 2.036 0 20 AEAD CSc1ccccc1C1(O)CC1 86097801 PLZHHYWWJWACBZ-UHFFFAOYSA-N 180.272 2.390 0 20 AEAD N[C@@H]1C[C@@H]1c1cc(Cl)cs1 86334340 SXPKSNZVGKCOSU-NTSWFWBYSA-N 173.668 2.216 0 20 AEAD Cc1ccc(N)c(OC(C)(C)C)n1 88035791 BNVUURJQYDHKAT-UHFFFAOYSA-N 180.251 2.150 0 20 AEAD CNc1ccc2c(c1)C(=O)CCC2 104508054 VUKLWFKHTVLNRZ-UHFFFAOYSA-N 175.231 2.247 0 20 AEAD NC[C@@H](F)CC1CCCCC1 108284632 ZAQOHMZUKGJDTF-VIFPVBQESA-N 159.248 2.254 0 20 AEAD CCN(CC)C(=O)N(C)CC(C)C 123009853 SWAYCAOTFFGREY-UHFFFAOYSA-N 186.299 2.036 0 20 AEAD c1cnc(NCCC2CCC2)nc1 130331225 YNNHZNHAFSJDLP-UHFFFAOYSA-N 177.251 2.079 0 20 AEAD CC[C@@H]1CCC[C@H]1NCc1cn[nH]c1 130516557 ZRNIHWKXCFKLBH-GHMZBOCLSA-N 193.294 2.078 0 20 AEAD CSCCN[C@@H](C)C(C)(C)C 132097956 WWOOUIBCXYNNFZ-QMMMGPOBSA-N 175.341 2.374 0 20 AEAD C[C@@H](CNCc1ccccn1)C1CC1 136211181 QNCRPQDPDQMWCU-JTQLQIEISA-N 190.290 2.217 0 20 AEAD Cc1nc(CN2CCCC2)cs1 144349054 OKNYIPPYAYVRNU-UHFFFAOYSA-N 182.292 2.047 0 20 AEAD CCc1cccc([C@H](F)C(=O)O)c1 168265700 CFBUILZUVFTGFV-VIFPVBQESA-N 182.194 2.344 0 20 AEAD O=C(N[C@H]1C=CCCC1)c1ccco1 196504018 RPNMIMYXTXZEIM-VIFPVBQESA-N 191.230 2.118 0 20 AEAD CCC(=O)[C@@H]1C(=O)C[C@H](C)C[C@@H]1C 219617034 RIRRPQLLNPBPTQ-VHSKPIJISA-N 182.263 2.217 0 20 AEAD CC[C@H](C)NCCN1CCC[C@@H](C)C1 224934094 LYISHIFDHUPBCF-NEPJUHHUSA-N 198.354 2.106 0 20 AEAD CC[C@@H](O)CN[C@@H]1CC[C@@H](C)C[C@@H]1C 226183504 TVMYPRUTSZXWQS-WRWGMCAJSA-N 199.338 2.172 0 20 AEAD CC(C)CCNC[C@@H]1CCC[C@@H](O)C1 232562923 MSYVANUWZLYCEA-VXGBXAGGSA-N 199.338 2.173 0 20 AEAD CCC(C)(C)CN[C@@H]1CCCNCC1 232980980 ZFXHKOACUZLGSN-LLVKDONJSA-N 198.354 2.154 0 20 AEAD C[C@H]1CC[C@H](Nc2ncccn2)CC1 252951188 DRGGDSWOSQSMLG-MGCOHNPYSA-N 191.278 2.467 0 20 AEAD C[C@@H]1CC[C@@H]1NC[C@H]1CCCS1 306191208 XTHJLXLPFNEPBF-BBBLOLIVSA-N 185.336 2.270 0 20 AEAD CC(=O)O[C@@H]1CC[C@@H](C)C[C@@H]1C 306245976 AOLCTPJOODVRGD-KHQFGBGNSA-N 170.252 2.374 0 20 AEAD C[C@@H](NC1CC1)C1CCSCC1 306321465 BYXXCJWCGXUSQQ-MRVPVSSYSA-N 185.336 2.270 0 20 AEAD Cn1cccc1CN[C@H]1CCC[C@H]1F 306427631 JFBVXAUNCQDHOS-MNOVXSKESA-N 196.269 2.005 0 20 AEAD C[C@@H]1CCC[C@H](Sc2nnc[nH]2)C1 306434077 YXEXFYRHFIBXBV-SFYZADRCSA-N 197.307 2.476 0 20 AEAD C[C@@H](CO)N[C@@H]1CCCC12CCCC2 306496732 FGYHYFDMPXHOKZ-WDEREUQCSA-N 197.322 2.070 0 20 AEAD CC1(c2nc(C3CC3)no2)CCC1 306996907 ULTQRWWEWVBBIM-UHFFFAOYSA-N 178.235 2.389 0 20 AEAD C[C@@H]1CCN(C(=O)NC(C)(C)C)[C@@H]1C 307035700 VNOGLDSMLKBSIJ-RKDXNWHRSA-N 198.310 2.225 0 20 AEAD C[C@H]1CCN(CC(C)(C)N)C[C@H](C)C1 307404796 CGBALPZTUVZBKT-WDEREUQCSA-N 198.354 2.092 0 20 AEAD C[C@H]1CCC[C@H](C(=O)N2CCCC2)C1 307586653 QIMSWWLPPQGBLR-QWRGUYRKSA-N 195.306 2.435 0 20 AEAD C[C@H](c1cccnc1)N1CCCC1 307682624 RUDHPMICSCXLNV-SNVBAGLBSA-N 176.263 2.238 0 20 AEAD C[C@@H]1C[C@@H]1CC(=O)Nc1nccs1 307697736 MGUCHOHKGWUMAU-RNFRBKRXSA-N 196.275 2.128 0 20 AEAD COCCSc1cccs1 307742139 KECRVIRWJAYFNW-UHFFFAOYSA-N 174.290 2.487 0 20 AEAD COCCCCN[C@H]1CCC1(C)C 308137312 JBNCJEQNPOUNFE-JTQLQIEISA-N 185.311 2.191 0 20 AEAD O=C(CCCC1CC1)NC1CCC1 308202073 ZFKHQMZGRRBFMG-UHFFFAOYSA-N 181.279 2.235 0 20 AEAD CCCOC(=O)C(C1CC1)C1CC1 308211582 LJROWLDYCURESL-UHFFFAOYSA-N 182.263 2.376 0 20 AEAD CC(=O)OCSc1ccc(C)cn1 308257669 LSGXHFWLMQWBLQ-UHFFFAOYSA-N 197.259 2.003 0 20 AEAD CCC[C@H](C)C(=O)N[C@@H](C)C1CC1 308313777 TWEFIIDIKDLOIC-IUCAKERBSA-N 183.295 2.337 0 20 AEAD Cc1ccc(C(=O)OCCF)cc1 308317368 YARQNLOWMBGJHV-UHFFFAOYSA-N 182.194 2.121 0 20 AEAD CCC[C@H](C)C(=O)NC(C)(C)CF 308390594 ZIHJQXRWWQAMKQ-QMMMGPOBSA-N 189.274 2.287 0 20 AEAD C[C@@H](O)CNC(C)(C)C1CCCCC1 308572435 CJOYYWLLWVVYQM-SNVBAGLBSA-N 199.338 2.316 0 20 AEAD CC[C@](C)(CNC/C=C\C1CC1)OC 319763238 XWTYJTQQYVQPKK-FOQNGQEVSA-N 197.322 2.357 0 20 AEAD CC[C@@H]1CCCCN1Cc1ccno1 334195516 MDFBHZRUBKEHEJ-SNVBAGLBSA-N 194.278 2.439 0 20 AEAD CCN1C[C@H](OC)Cc2ccccc21 334218423 DVVZLTBOTYWUJN-LLVKDONJSA-N 191.274 2.084 0 20 AEAD C1CC(CN2CCOC3(CCC3)C2)C1 334255303 YMBDBBUEIIGGJF-UHFFFAOYSA-N 195.306 2.041 0 20 AEAD C[C@H]1CCC[C@H]1CNC(=O)C1(C)CC1 334370596 WFQLFTGVGFAZIZ-UWVGGRQHSA-N 195.306 2.339 0 20 AEAD C[C@H]1CN(Cc2ccno2)C(C)(C)C1 334766362 CRVSBWLSVPRQED-SECBINFHSA-N 194.278 2.295 0 20 AEAD CC(C)CCN1[C@@H](C)C[C@H](O)C[C@H]1C 334841041 ZWQCWBCSPYXMHW-ZSBIGDGJSA-N 199.338 2.266 0 20 AEAD CN(C[C@@H]1CCCOC1)[C@@H]1CC1(C)C 335002483 XRKPVZZOQVEBJU-WDEREUQCSA-N 197.322 2.143 0 20 AEAD C[C@H]1CC[C@H](C)N1C(=O)c1ccoc1 335326189 BQAJMVDSDHQICL-IUCAKERBSA-N 193.246 2.293 0 20 AEAD CC(C)=CCN[C@H]1CCCCC[C@H]1N 335595297 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0 20 AEAD CC[C@H](C)N(C)Cc1cc(C)no1 591376407 UJZWEWKSFGRTSR-VIFPVBQESA-N 182.267 2.213 0 20 AEAD CN(CC1CCC1)C[C@@H]1CCCOC1 608497171 OSNYZRLFNGLGRP-LBPRGKRZSA-N 197.322 2.145 0 20 AEAD COCCCN(C#N)c1ccccc1 610892963 VICFAGYTKDXGSS-UHFFFAOYSA-N 190.246 2.011 0 20 AEAD CCC(CC)NC(=O)N[C@H]1CC1(C)C 618562308 KMCRKAMQCALQLD-VIFPVBQESA-N 198.310 2.273 0 20 AEAD CC1(CC(=O)N2CC[C@H]3C[C@@H]3C2)CC1 619366740 KTRWYZNDGYZYNP-VHSXEESVSA-N 193.290 2.045 0 20 AEAD Fc1cccc2nc(N3CCC3)oc12 623831041 POIGDRRMRYMYFG-UHFFFAOYSA-N 192.193 2.177 0 20 AEAD CC(=O)CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 639675783 RCSOUMQJTONDKB-ADEWGFFLSA-N 197.322 2.380 0 20 AEAD CCCn1cc(-c2cccs2)nn1 640753140 LYAQVHWHCPDQIW-UHFFFAOYSA-N 193.275 2.417 0 20 AEAD CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)C1 643188008 ATESSYBIHCASLP-GMTAPVOTSA-N 195.306 2.291 0 20 AEAD CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C 643224383 WOJWASCZPZFWBC-GMTAPVOTSA-N 195.306 2.434 0 20 AEAD CC/C=C\CCN(C)[C@@H](CC)CO 649725291 MXUPQYHLZJUWIS-ZADCQDASSA-N 185.311 2.045 0 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20 AEAD CC[C@H](C)S[C@H](C)CC(=O)OC 35741060 GCSLDBMMYHMMQW-JGVFFNPUSA-N 190.308 2.470 0 20 AEAD CC(C)CSC[C@@H](C)C(=O)O 35756673 JKYALINNHIIPJD-SSDOTTSWSA-N 176.281 2.096 0 20 AEAD CC[C@@H](SC)C(=O)OC(C)C 36455980 VPMXGEKAUYNLFD-SSDOTTSWSA-N 176.281 2.080 0 20 AEAD c1cnc(NCC2CCCC2)cn1 37253026 VUMLCODLPDBTEX-UHFFFAOYSA-N 177.251 2.079 0 20 AEAD C[C@@H](O)CSCc1ccccc1 37697146 PVGVBUONUDMBNQ-SECBINFHSA-N 182.288 2.301 0 20 AEAD CCCCOCCNC1CCCC1 40505995 LUSRDITXSBIIKU-UHFFFAOYSA-N 185.311 2.335 0 20 AEAD COC[C@H](C)CN[C@H]1CCCC[C@H]1C 44478182 RHOBERRMNBPDJD-UTUOFQBUSA-N 199.338 2.437 0 20 AEAD O[C@@H]1CCC[C@H]1c1ccccc1F 53751803 LDADTGIBEKMSGG-GXSJLCMTSA-N 180.222 2.454 0 20 AEAD COc1ccc2c(c1)OC(=O)C[C@@H]2C 59378056 ZZPUHHTYHRVYGJ-ZETCQYMHSA-N 192.214 2.108 0 20 AEAD CC1(CN[C@H]2CCCOC2)CCCC1 70014541 YPJNEQHGUFQFSZ-NSHDSACASA-N 197.322 2.335 0 20 AEAD C1CCCC(N[C@@H]2CCOC2)CCC1 70963653 WNLYBVARGMUZDX-GFCCVEGCSA-N 197.322 2.478 0 20 AEAD CC(=O)Oc1ccc(Cl)cc1F 80403917 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197.253 2.332 0 20 AEAD Cc1ccnc(N2CCC(C)CC2)n1 223178004 PHKRMIHVYLFOMR-UHFFFAOYSA-N 191.278 2.021 0 20 AEAD Cc1ncsc1CNCC1(C)CC1 224185827 MZQSRXZJKKFQQU-UHFFFAOYSA-N 196.319 2.341 0 20 AEAD CC[C@H](COC)N[C@@H]1CC[C@@H](C)C1 227204814 MLRSUWACTZCMDC-GMTAPVOTSA-N 185.311 2.190 0 20 AEAD CO[C@@H](C)CN[C@@H]1CC[C@@H](C)C[C@@H]1C 228574656 AKJLRNBFTMFARS-NOOOWODRSA-N 199.338 2.436 0 20 AEAD CCCC1CCC(N[C@@H](C)CN)CC1 232897735 JBFVAPVQWIACJR-UNXYVOJBSA-N 198.354 2.282 0 20 AEAD Cc1nc(N)c2cc(Cl)ccc2n1 235971565 SXNSVNVGMNFBAI-UHFFFAOYSA-N 193.637 2.174 0 20 AEAD C[C@H](F)CCN1CC[C@@H](C)C1 306262921 MPOZEPXASSRUAW-BDAKNGLRSA-N 159.248 2.076 0 20 AEAD CCc1nc([C@H]2CCCS2)no1 306487129 SZDRPYVKHWKUFY-ZCFIWIBFSA-N 184.264 2.200 0 20 AEAD CC(C)Nc1cccc2c1OCCO2 306497478 GEXJNHSCWIRGQU-UHFFFAOYSA-N 193.246 2.278 0 20 AEAD C[C@H](N[C@H]1CC=CCC1)[C@H]1CCCO1 306712074 SVFINZUXXCBHGD-SDDRHHMPSA-N 195.306 2.252 0 20 AEAD C[C@@H]1CC[C@@H]1N[C@@H]1CCS[C@@H]1C 307000298 BSUIQROBVLECCK-DOLQZWNJSA-N 185.336 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2.240 0 20 AEAD C1CO[C@@H](CN2CCCC3(CC3)C2)C1 334709145 YTUQIACIHDKSKD-LLVKDONJSA-N 195.306 2.041 0 20 AEAD CCCN1CC[C@H]2CCC[C@H]21 335574110 NPUQKGOCXVQOLW-NXEZZACHSA-N 153.269 2.271 0 20 AEAD CC(C)[C@@H]1CCN1C(=O)CC1(C)CC1 335793629 WUEDQXDXVGZEFH-JTQLQIEISA-N 195.306 2.434 0 20 AEAD CC(C)[C@@H]1C[C@H]1C(=O)N1CCCCC1 335840333 TYURNRIUABENLH-WDEREUQCSA-N 195.306 2.291 0 20 AEAD CC1(C)CC[C@H]1NC(=O)C1CCCC1 335957132 KAJOSXQTHSVLBI-SNVBAGLBSA-N 195.306 2.481 0 20 AEAD O=C(NCC1CC1)[C@H]1CC12CCCC2 336062641 FRGJNRDLOJIZAY-SNVBAGLBSA-N 193.290 2.093 0 20 AEAD CC(C)CCNCc1ncccc1F 379616025 ZBDJJIYODHQXQL-UHFFFAOYSA-N 196.269 2.356 0 20 AEAD CC[C@H](C)N(CCO)CC1(C)CCC1 379631792 OJRLVGPGHHYHID-NSHDSACASA-N 199.338 2.269 0 20 AEAD C[C@H](CCCCN)NC/C=C\C1CC1 382242970 GTIQKIRTJNLCDG-VLWUPBBWSA-N 196.338 2.060 0 20 AEAD CC[C@@H](N[C@H](C)C1CCC1)C(C)(C)O 394030557 MTQFKBOVRYSAFD-MWLCHTKSSA-N 199.338 2.314 0 20 AEAD CCC(CC)N[C@@H](C)c1ccncn1 395782600 ACSWJNGVXNYKQS-VIFPVBQESA-N 193.294 2.316 0 20 AEAD CCC(CC)CN[C@@H]1CCCN[C@@H]1C 396615676 GDIUCUVIQQBKJX-ZYHUDNBSSA-N 198.354 2.153 0 20 AEAD Fc1ccc(CNCC2CCC2)nc1 529534303 VTGXAOCBQCJXMG-UHFFFAOYSA-N 194.253 2.110 0 20 AEAD Fc1cccnc1N[C@H]1C=CCC1 575471279 POLGIMLCIQNAFH-QMMMGPOBSA-N 178.210 2.351 0 20 AEAD C[C@H]1OCC[C@H]1CSc1ncco1 631016531 NLMVDDPZQSQFPT-SFYZADRCSA-N 199.275 2.192 0 20 AEAD CC(C)N(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 636605769 AWLSBXGBCJWFIA-GARJFASQSA-N 195.306 2.289 0 20 AEAD C[C@H](N[C@@H]1CC1(C)C)[C@@H]1CC1(F)F 638406918 MVRPIXCTNVQNRG-BIIVOSGPSA-N 189.249 2.418 0 20 AEAD CC(=O)CN1CC[C@H]1c1ccccc1 639511639 QXVWEMJVFBODFB-LBPRGKRZSA-N 189.258 2.022 0 20 AEAD CC[C@H]1CCN(c2ncncc2C)C1 641428402 KSEZWHHZCDUIPM-JTQLQIEISA-N 191.278 2.021 0 20 AEAD CCN(Cc1c(C)noc1C)C1CC1 642095477 TWEHMFICPDBDBJ-UHFFFAOYSA-N 194.278 2.276 0 20 AEAD CCCN(CC)C(=O)[C@@]12CCC[C@H]1C2 643300801 SMWFJTXNEQAXCG-CMPLNLGQSA-N 195.306 2.435 0 20 AEAD CC[C@@H]1C[C@@H](C)CC[C@@H]1NCCNC 643504833 VRJQNEKLFIPVDK-TUAOUCFPSA-N 198.354 2.010 0 20 AEAD COC[C@H]1CCCCN1CC1CCC1 650301058 ZPKZBCKXUYXVBJ-GFCCVEGCSA-N 197.322 2.287 0 20 AEAD COC[C@@H](C)N(C)c1ccsc1 653471121 ZQEUMPRKALSSOP-MRVPVSSYSA-N 185.292 2.219 0 20 AEAD CC[C@H]1CN(CCC2CCC2)CCO1 659839565 YWAOLMDMQIZXQE-LBPRGKRZSA-N 197.322 2.287 0 20 AEAD CCC1CCC(N[C@@H](C)CNC)CC1 663510473 QKHLVYJFIJXSSV-UNXYVOJBSA-N 198.354 2.153 0 20 AEAD Cc1ncn(C[C@@H](C)CC(C)C)n1 664084213 RXDSAQWJMQIBBC-VIFPVBQESA-N 181.283 2.269 0 20 AEAD Fc1cccnc1N1CC[C@H]2C[C@H]2C1 664527367 ZPRVFTBWASGNHS-IUCAKERBSA-N 192.237 2.067 0 20 AEAD O=C(C1CCC1)N1CC[C@@H](C2CC2)C1 677861436 XHXPQWDHVBSZEH-LLVKDONJSA-N 193.290 2.045 0 20 AEAD CCOC[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 682673248 MQCCTMHJFZENPM-UTUOFQBUSA-N 197.322 2.001 0 20 AEAD CCCCNC[C@@H]1C[C@H](C)O[C@@H]1C 686449599 SSGHUSXIOILOEJ-AXFHLTTASA-N 185.311 2.190 0 20 AEAD C/C=C/C=C\C(=O)NC[C@H]1C=CCC1 711732739 TUBBZYCMDCDZLE-SOFLTKEGSA-N 191.274 2.201 0 20 AEAD C/C=C(/C=C\C(=O)NCC1CC1)CC 764697395 CNLBXYNBGZGYRN-REHGSKIZSA-N 193.290 2.425 0 20 AEAD 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