smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C1=C[C@@H]2c3ccccc3N[C@H](c3cccnc3)[C@H]2C1 13388904 XHRJZONPWDDNHS-UKPHBRMFSA-N 248.329 3.908 10 40 BHCB Cc1ccc(/N=N/Nc2cccnc2)cc1 35326163 PDYCQAXRIPCZPB-UHFFFAOYSA-N 212.256 3.501 10 40 BHCB CC1(C)CC(=S)C=C(N2CCCCC2)C1 100520672 FIUUQJPMDQRZAJ-UHFFFAOYSA-N 223.385 3.546 10 40 BHCB Nc1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 5420656 MDMDJAOEKAAIGH-CCEZHUSRSA-N 242.238 3.592 10 40 BHCB Cc1ccc(Oc2ccc(C=S)cc2)nc1 64219862 HBYHKJQEIYFINP-UHFFFAOYSA-N 229.304 3.530 10 40 BHCB Oc1cc(O)cc(/N=N/c2ccccc2)c1 95891412 AKEJWZBTXCLPTH-BUHFOSPRSA-N 214.224 3.513 10 40 BHCB in-vitro Cc1ccc(-c2ccncc2)n1-c1ccccc1 199781492 DJSBIIUUXCNFDW-UHFFFAOYSA-N 234.302 3.848 10 40 BHCB [N-]=[N+]=NCCCCCCCCCCCN 1542984423 IXFCCHHHFJQVAZ-UHFFFAOYSA-N 212.341 3.766 10 40 BHCB Cc1ccc(NCc2cc(Cl)ccc2O)cc1 19964486 DRDMVHBANUKDEK-UHFFFAOYSA-N 247.725 3.966 10 40 BHCB C[C@@H]1CCCC[C@H]1Nc1c(N)cccc1Cl 20383660 HCZRUHDLPKTTJX-BXKDBHETSA-N 238.762 3.913 10 40 BHCB Oc1cccc(O)c1/N=N/c1ccc(F)cc1 110341819 RYROMRUZJARBOL-CCEZHUSRSA-N 232.214 3.652 10 40 BHCB C1=C[C@H]2c3cccc4c3N(C[C@H]2C1)C[C@@H]1CC=C[C@H]41 1055869 IEFXFGCWVIALAY-NMWPEEMBSA-N 249.357 3.840 10 40 BHCB Cc1cccc(/N=N/c2ccc(O)c(CO)c2)c1 70461645 KANAZMHLQKPTGO-FOCLMDBBSA-N 242.278 3.608 10 40 BHCB Oc1ccc(/N=N/c2ccc3[nH]cnc3c2)cc1 96191715 WHDCTGTUAPTVHK-WUKNDPDISA-N 238.250 3.684 10 40 BHCB CSc1ccccc1-n1c(C)cc(C=O)c1C 8701897 ADDXEPGSUNWTRN-UHFFFAOYSA-N 245.347 3.629 10 40 BHCB C[C@H]1CCCC[C@@H]1Nc1c(N)cccc1Cl 20383656 HCZRUHDLPKTTJX-CABZTGNLSA-N 238.762 3.913 10 40 BHCB Cc1c2cc(Cl)ccc2c[n+]2ccccc12 1730438 GMBJMDNLVCSBRW-UHFFFAOYSA-N 228.702 3.540 10 40 BHCB O=C(/N=N/c1ccccc1)c1ccccc1 100357567 MHJUNMARMFAUBI-CCEZHUSRSA-N 210.236 3.611 10 40 BHCB O=Cc1ccc(/N=N\c2ccc(C=O)cc2)cc1 1857794267 QRHDFPNRGBRHTC-NXVVXOECSA-N 238.246 3.727 10 40 BHCB Cc1ccc(-c2nc(N)sc2C)cc1Cl 129019 YMIXNQPUCSSBIW-UHFFFAOYSA-N 238.743 3.663 10 40 BHCB CCN1c2ccc(CNC)cc2[C@H](C)CC1(C)C 260716833 GHONGOUPWXRESQ-GFCCVEGCSA-N 246.398 3.518 10 40 BHCB CCN1c2ccccc2Oc2cc(C=O)ccc21 26460961 ZFRJDIHZZCGTKP-UHFFFAOYSA-N 239.274 3.763 10 40 BHCB Nc1cc(O)ccc1/N=N/c1ccc(F)cc1 5799360 FNUHQTNYEUOYIP-FOCLMDBBSA-N 231.230 3.529 10 40 BHCB Cc1ccc(/N=N/c2cccnc2O)cc1C 16951637 HTBZMRRXENZTAD-FOCLMDBBSA-N 227.267 3.819 10 40 BHCB COc1ccc2cc(CN=[N+]=[N-])c(Cl)nc2c1 139666885 HOTRLJBEVGVKBG-UHFFFAOYSA-N 248.673 3.707 10 40 BHCB Cc1cc(/N=N/c2ccccc2)ccc1N 18069175 ZQNCDLBRYKNRBK-FOCLMDBBSA-N 211.268 3.993 10 40 BHCB Cc1cc(/N=N/c2ccccc2)c(N)cc1N 100049539 JSWCBDPQYMLZPU-WUKNDPDISA-N 226.283 3.575 10 40 BHCB C1=C[C@H]2c3ccccc3N[C@@H](c3cccnc3)[C@H]2C1 4003810 XHRJZONPWDDNHS-QRTARXTBSA-N 248.329 3.908 10 40 BHCB CC(=S)Cc1ccc(Cl)c(Cl)c1 228950661 BXGJZLWXIXKEGK-UHFFFAOYSA-N 219.136 3.926 10 40 BHCB CCNCc1cc(C)n(-c2ccccc2C)c1C 223665059 HOWNGAGIQANFJG-UHFFFAOYSA-N 242.366 3.512 10 40 BHCB CCc1ccccc1Oc1ccc(N)cc1 11804873 YPJPFSAMWNOLRZ-UHFFFAOYSA-N 213.280 3.624 10 40 BHCB in-vitro CCCCC[C@H](C)Oc1ccc(N)cc1 8702436 IVZTXIMQVSWSIZ-NSHDSACASA-N 207.317 3.616 10 40 BHCB Cc1ccc(/N=N\c2ncccc2O)cc1C 104123640 KXEZMDXTTDYBDH-NXVVXOECSA-N 227.267 3.819 10 40 BHCB Cc1cc(/N=N\c2ccncc2C)ccc1N 104149143 VOJKWYGNVKVJAW-MSUUIHNZSA-N 226.283 3.696 10 40 BHCB COc1cccc2nc(Cl)c(CN=[N+]=[N-])cc12 685937392 SLLXDEYZMXXIJC-UHFFFAOYSA-N 248.673 3.707 10 40 BHCB Cc1cc(-n2c(C)ccc2C)ccc1F 558987 FFXIYGKYPLDBSA-UHFFFAOYSA-N 203.260 3.542 10 40 BHCB COc1ccc(/N=N/c2ccc(O)cc2)cc1 18031117 WEFGJDSWBHPXOK-CCEZHUSRSA-N 228.251 3.816 10 40 BHCB S=C(c1ccncc1)c1ccc(Cl)cc1 228948323 PWHCARBNWRDDOL-UHFFFAOYSA-N 233.723 3.501 10 40 BHCB CSc1cccc(-n2c(C)ccc2C)c1 2627798 NVLFZGJMKHJPRN-UHFFFAOYSA-N 217.337 3.816 10 40 BHCB Cc1cc(CO)c(C)n1-c1ccccc1C(C)C 223708774 MPOQEFCFXUITAE-UHFFFAOYSA-N 243.350 3.710 10 40 BHCB Cc1ccc(/N=N\c2ccc(O)cc2O)cc1 104378548 RTJFQCHHZRVZAN-PFONDFGASA-N 228.251 3.822 10 40 BHCB CN(C)c1ccc(/N=N/c2ccncc2)cc1 17836084 FUVJXDPEJMGTFG-FOCLMDBBSA-N 226.283 3.563 10 40 BHCB Cc1ccc(-n2c(C)cc(CO)c2C)c(Cl)c1 223702673 CIOFYZUSUMXSTQ-UHFFFAOYSA-N 249.741 3.548 10 40 BHCB CCCCc1ccc(C=O)n1Cc1ccccc1 226026965 JHSMVFZLAYJBME-UHFFFAOYSA-N 241.334 3.692 10 40 BHCB Nc1ccc(CCCc2cccc(F)c2)cc1 47845249 NTYVBOYPIIAFRR-UHFFFAOYSA-N 229.298 3.583 10 40 BHCB Cc1ccc(/N=N/c2c(O)cccc2O)cc1 110341809 OQKYJFPSMLWDHC-CCEZHUSRSA-N 228.251 3.822 10 40 BHCB CCc1cccc(C)c1-n1c(C)cc(C=O)c1C 5585438 WOWOFYLQUANTPC-UHFFFAOYSA-N 241.334 3.777 10 40 BHCB CN(C)c1ccc(/C=C\c2ccccc2)cc1 4522461 XGHHHPDRXLIMPM-HJWRWDBZSA-N 223.319 3.923 10 40 BHCB [N-]=[N+]=NC12CC3C[C@H]4C5CC(C[C@H]1[C@@H]5C3)C[C@H]42 16952697 BUTZBUITXHYIGY-UIFAZLTPSA-N 229.327 3.758 10 40 BHCB CCN(CC)c1ccc(CNC2CCCC2)cc1 4677110 KHNWJXMZAZYYHD-UHFFFAOYSA-N 246.398 3.565 10 40 BHCB O=C(O)c1ccccc1/N=N\c1ccc(O)cc1 96300332 DWQOTEPNRWVUDA-PFONDFGASA-N 242.234 3.506 10 40 BHCB C1=C[C@@H]2c3cccc4c3N(C[C@@H]2C1)C[C@@H]1CC=C[C@@H]41 15135158 IEFXFGCWVIALAY-ZQDZILKHSA-N 249.357 3.840 10 40 BHCB Cc1ccc(O)c(N=Nc2nccs2)c1 253915767 MZRKINSTWYZJLV-UHFFFAOYSA-N 219.269 3.573 10 40 BHCB C/N=N/c1ccccc1-c1ccc(N)cc1 87492889 XNGOXCWNMICCTB-FOCLMDBBSA-N 211.268 3.649 10 40 BHCB Nc1c(F)cc(/N=N/c2ccccc2)cc1F 18087559 FEGXVSFJDYSYGI-WUKNDPDISA-N 233.221 3.962 10 40 BHCB [N-]=[N+]=NCCCCCOCc1ccccc1 90366991 MLASOSUYXUZHRL-UHFFFAOYSA-N 219.288 3.684 10 40 BHCB CN(Cc1ccccc1)/N=N\c1ccccc1 100376982 AZKJDCFQZVEZJK-NXVVXOECSA-N 225.295 3.817 10 40 BHCB Cc1cc(C)c(NCc2ccccc2O)c(C)c1 2170861 UQJIKIKSHKAULG-UHFFFAOYSA-N 241.334 3.930 10 40 BHCB Cc1cc(O)c(O)cc1C/C=C\c1ccccc1 5440073 ZOODPVYZFMAYIZ-YVMONPNESA-N 240.302 3.662 10 40 BHCB Cc1ccc(Cl)cc1-n1c(C)cc(CO)c1C 8701695 IQRXJADSGGVRHD-UHFFFAOYSA-N 249.741 3.548 10 40 BHCB Cc1cc(/N=N/c2ccc(N(C)C)cc2)ccn1 17001608 OYTUMGSVQAGPEY-WUKNDPDISA-N 240.310 3.871 10 40 BHCB CN(C)c1ccc(/N=N\c2ccccn2)cc1 13110587 IOJNPSPGHUEJAQ-NXVVXOECSA-N 226.283 3.563 10 40 BHCB CSc1cccc(NCc2ccccc2O)c1 19900549 FSAYQTMAKVZAQK-UHFFFAOYSA-N 245.347 3.726 10 40 BHCB CNc1cc(Cl)ccc1C(=O)c1ccccc1 21989273 XCGZISRLCMXADQ-UHFFFAOYSA-N 245.709 3.613 10 40 BHCB Cc1ccccc1CCCc1ccc(N)cc1 47845254 WYHUKRRHYKWZKU-UHFFFAOYSA-N 225.335 3.753 10 40 BHCB CCCCCNCc1ccc(N(CC)CC)cc1 6859307 WABMZTYZUFOQGF-UHFFFAOYSA-N 248.414 3.813 10 40 BHCB CN(C)c1ccc(/N=N\c2ccc(N)cc2)cc1 100018638 BVRIUXYMUSKBHG-MSUUIHNZSA-N 240.310 3.750 10 40 BHCB O=C(/N=N\c1ccccc1)NC1CCCCC1 104224958 HHNIOJKZJPVAEX-NXVVXOECSA-N 231.299 3.813 10 40 BHCB [N-]=[N+]=NCc1cc2cc(F)ccc2nc1Cl 685936942 CYCXLIBLJMWKLS-UHFFFAOYSA-N 236.637 3.838 10 40 BHCB Cc1cccc(C)c1/N=N\c1sc(=N)[nH]c1C 16953691 YZWSMWNVDABUHI-NXVVXOECSA-N 246.339 3.896 10 40 BHCB CCCC(CCC)Oc1ccc(N)cc1 8702439 KIRJGHGTDXJAHT-UHFFFAOYSA-N 207.317 3.616 10 40 BHCB Cc1cc(C)c(-n2c(C)cc(C=O)c2C)c(C)c1 21011948 JKBTXUDNLHSZQV-UHFFFAOYSA-N 241.334 3.832 10 40 BHCB COc1ccc2cc(C(C)=S)ccc2c1 228960467 RRBRKAPBRRTRRJ-UHFFFAOYSA-N 216.305 3.586 10 40 BHCB O=[N+]([O-])c1ccc([N+]([O-])=Nc2ccccc2)cc1 104075553 AYTMBPVOPZZDCM-UHFFFAOYSA-N 243.222 3.521 10 40 BHCB COc1cccc2cc(CN=[N+]=[N-])c(Cl)nc12 685937200 MVYJMWTZUKNWAQ-UHFFFAOYSA-N 248.673 3.707 10 40 BHCB CC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 6918993 RWQMMYISCOZAKD-UHFFFAOYSA-N 247.725 3.950 10 40 BHCB FC(F)(F)c1ccccc1/N=N/c1ncc[nH]1 12346290 VDCPJZABHDALJP-WUKNDPDISA-N 240.188 3.844 10 40 BHCB Cc1c2c(nc3ccccc13)-c1ccccc1C2=O 3324488 NGVMSFMHPLQNDX-UHFFFAOYSA-N 245.281 3.755 10 40 BHCB Nc1ccc(/N=N\c2ccccc2)cc1F 100455367 BIKFRDNTDWEYHQ-NXVVXOECSA-N 215.231 3.823 10 40 BHCB CC(C)N1c2ccc(CN)cc2[C@@H](C)CC1(C)C 223779733 ATIKXGGJEHAIHE-LBPRGKRZSA-N 246.398 3.646 10 40 BHCB Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1O 5248852 VBOJGMYOTLQJGW-UHFFFAOYSA-N 244.334 3.566 10 40 BHCB COc1ccc(C(=O)/N=N/c2ccccc2)cc1 17822791 HWWXDLYQUPLQAX-FOCLMDBBSA-N 240.262 3.619 10 40 BHCB Cc1ccc(/N=N/c2ncccc2O)cc1C 17886087 KXEZMDXTTDYBDH-FOCLMDBBSA-N 227.267 3.819 10 40 BHCB CC1=CC(C)(C)N(C(C)C)c2ccc(CN)cc21 223795410 KSCXOVWVFVHROJ-UHFFFAOYSA-N 244.382 3.556 10 40 BHCB CCCC1Nc2cccc3cccc(c23)N1 1581302 UATURVYCXNGKJR-UHFFFAOYSA-N 212.296 3.803 10 40 BHCB c1cc2c3c(cccc3c1)NC1(CCCC1)N2 1581303 IMFHRPYNXZSTBY-UHFFFAOYSA-N 224.307 3.948 10 40 BHCB Cc1ccc(C)n1-c1cccc2c(N)cccc12 408739527 XILFTWOWMXIJML-UHFFFAOYSA-N 236.318 3.830 10 40 BHCB Cc1cc(/N=N\c2ccccc2)c(N)cc1N 18125950 JSWCBDPQYMLZPU-MSUUIHNZSA-N 226.283 3.575 10 40 BHCB Cc1cc(N=Nc2ccc(N)c(C)c2)ccc1N 258830254 FLVSXYLSQXAKLN-UHFFFAOYSA-N 240.310 3.883 10 40 BHCB Cc1ccn2c(C=S)c(C(C)(C)C)cc2c1 481513 YTSIJDPBLRFRBX-UHFFFAOYSA-N 231.364 3.893 10 40 BHCB CC(=O)c1cc(C)n(-c2cccc(C)c2)c1C 32015426 QOQMGNJJDFRMNK-UHFFFAOYSA-N 227.307 3.605 10 40 BHCB CCCC[C@H](CC)Oc1ccc(N)cc1 8702438 HFVOVQOCKWSHPQ-LBPRGKRZSA-N 207.317 3.616 10 40 BHCB CC[C@@H](N=[N+]=[N-])C(=O)Nc1ccc(C(C)C)cc1 101353348 BMYHRESIRCLTKI-GFCCVEGCSA-N 246.314 3.837 10 40 BHCB C[C@]1(c2ccccc2O)Nc2ccccc2S1 1665142 NCIYJNHGOUNYSG-AWEZNQCLSA-N 243.331 3.783 10 40 BHCB O=Cc1cc(N=Nc2ccccc2)ccc1O 254856018 XPVBLJIHHYLHOE-UHFFFAOYSA-N 226.235 3.620 10 40 BHCB CC(=O)c1cc(C)n(-c2ccccc2Cl)c1C 32103426 UYHDOIHHUQSTDT-UHFFFAOYSA-N 247.725 3.950 10 40 BHCB Nc1ccc(CCc2ccc3ccccc3n2)cc1 1596765 TYAYBROKRWNLJG-UHFFFAOYSA-N 248.329 3.602 10 40 BHCB [N-]=[N+]=NC12CC3C[C@H]4C5CC(C[C@H]41)C[C@@H]2[C@H]5C3 104227157 BUTZBUITXHYIGY-SVDSKXCTSA-N 229.327 3.758 10 40 BHCB COc1ccc(/N=N/c2c(C)noc2C)cc1 4322202 GQZVEJORSBYZAF-BUHFOSPRSA-N 231.255 3.715 10 40 BHCB c1csc([C@H]2CCNc3ccccc3N2)c1 6732118 LEFCCRGYHRDPRB-GFCCVEGCSA-N 230.336 3.717 10 40 BHCB CC(=O)c1cc(C)n(-c2cc(C)ccc2C)c1C 32099945 BLFYPVZIYBLGBR-UHFFFAOYSA-N 241.334 3.914 10 40 BHCB Cc1ccc(/N=N/c2ccc(O)cc2O)cc1 18069312 RTJFQCHHZRVZAN-CCEZHUSRSA-N 228.251 3.822 10 40 BHCB CCCc1ccc(-n2c(C)cc(C=O)c2C)cc1 20285002 YCGFTRFZWBGBMJ-UHFFFAOYSA-N 241.334 3.859 10 40 BHCB CN(C)c1ccc(/N=N/c2ccccn2)cc1 100024653 IOJNPSPGHUEJAQ-FOCLMDBBSA-N 226.283 3.563 10 40 BHCB in-vitro CC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 9239675 VBJMLARWSYKRCG-UHFFFAOYSA-N 227.307 3.605 10 40 BHCB Cc1cnccc1/N=N/c1ccc(N(C)C)cc1 18187835 DWOGGSUZDXKLIH-WUKNDPDISA-N 240.310 3.871 10 40 BHCB [N-]=[N+]=Cc1c2ccccc2cc2ccccc12 33650452 XXDVOJKRZBNPFN-UHFFFAOYSA-N 218.259 3.642 10 40 BHCB Cc1cccc2cc3c(nc12)-c1ccccc1C3=O 61648 ISVUWXOQNSPMAH-UHFFFAOYSA-N 245.281 3.755 10 40 BHCB Cc1cnccc1/N=N\c1ccc(N(C)C)cc1 104149139 DWOGGSUZDXKLIH-MSUUIHNZSA-N 240.310 3.871 10 40 BHCB O=[N+]([O-])c1ccc(N/N=N\c2ccccc2)cc1 18168865 VPLPKIVQGJVXDR-UHFFFAOYSA-N 242.238 3.706 10 40 BHCB CC(C)c1ccc(C(=S)/C=C/N(C)C)cc1 16575820 YDELIKQMRYPUJC-MDZDMXLPSA-N 233.380 3.603 10 40 BHCB Cc1cc(CN)c(C)n1-c1ccc(C(C)C)cc1 34936136 OOHDSTGZDQYNNC-UHFFFAOYSA-N 242.366 3.676 10 40 BHCB Cc1cc(C)cc(NCc2ccccc2O)c1 19952671 MEFVXRUKMAXRMV-UHFFFAOYSA-N 227.307 3.621 10 40 BHCB CCc1ccc(C=O)n1Cc1ccc(Cl)cc1 226022520 VHTYKHQNJFEGQK-UHFFFAOYSA-N 247.725 3.565 10 40 BHCB C/C(=C\c1ccc(N(C)C)cc1)c1ccncc1 17149545 HMJPNNRBGBKUNV-OUKQBFOZSA-N 238.334 3.708 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@@H](c3cccnc3)[C@H]2C1 4140577 XHRJZONPWDDNHS-KMFMINBZSA-N 248.329 3.908 10 40 BHCB Cc1ccc(/N=N/c2ccc(O)c(CO)c2)cc1 70461643 GLMFPOVAVDLFSS-FOCLMDBBSA-N 242.278 3.608 10 40 BHCB C[C@H]1CCCC[C@H]1Nc1c(N)cccc1Cl 20383664 HCZRUHDLPKTTJX-JOYOIKCWSA-N 238.762 3.913 10 40 BHCB Cc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1 73740077 MUHMVIFYZSZSAA-ISLYRVAYSA-N 240.310 3.883 10 40 BHCB Nc1ccc(/N=N/c2ccccc2)cc1F 17995477 BIKFRDNTDWEYHQ-FOCLMDBBSA-N 215.231 3.823 10 40 BHCB CN(/N=N\N(C)c1ccccc1)c1ccccc1 31297668 WRINSSLBPNLASA-NXVVXOECSA-N 240.310 3.541 10 40 BHCB CC[C@H](N=[N+]=[N-])C(=O)Nc1ccc(C(C)C)cc1 101353347 BMYHRESIRCLTKI-LBPRGKRZSA-N 246.314 3.837 10 40 BHCB CCCCc1ccc(O)c(CN(CC)CC)c1 1706285 YRMGPEFFULUUIA-UHFFFAOYSA-N 235.371 3.577 10 40 BHCB Nc1ccc(/N=N\c2ccccc2)cc1[N+](=O)[O-] 100170159 CBULPXZYVCBKMF-PFONDFGASA-N 242.238 3.592 10 40 BHCB CC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C 32099946 RHKNEUQQHLPLSN-UHFFFAOYSA-N 241.334 3.914 10 40 BHCB Cc1ccc(CCCc2ccc(N)cc2)cc1 39591760 URPVXOSXGYJGIL-UHFFFAOYSA-N 225.335 3.753 10 40 BHCB Cc1cc(-n2c(C)cc(C=O)c2C)ccc1Cl 9261730 KDCRMEBNQLNORX-UHFFFAOYSA-N 247.725 3.868 10 40 BHCB [N-]=[N+]=N[C@H]1CCc2c(Br)cccc21 1775973654 PXXGBORJZUJVFL-VIFPVBQESA-N 238.088 3.747 10 40 BHCB Cc1cccc(C)c1NCc1ccccc1O 6912990 YUAJPCNFGBVHCB-UHFFFAOYSA-N 227.307 3.621 10 40 BHCB S=C1CCC=C1CSc1ccccc1 228960232 CAXHQPLWUZTVTO-UHFFFAOYSA-N 220.362 3.869 10 40 BHCB Cc1ccc2c(c1)C(=O)c1cc3ccccc3nc1-2 225839 QKKHEBANVNFLEA-UHFFFAOYSA-N 245.281 3.755 10 40 BHCB CN(Cc1ccccc1)/N=N/c1ccccc1 16952908 AZKJDCFQZVEZJK-FOCLMDBBSA-N 225.295 3.817 10 40 BHCB Cc1ccc(NCc2ccccc2O)cc1C 3643124 JRGUMMNYLCUHIB-UHFFFAOYSA-N 227.307 3.621 10 40 BHCB Cc1cccc2c(Nc3ccc(N)cc3)ccnc12 64875355 UVMNMACGEINGFD-UHFFFAOYSA-N 249.317 3.869 10 40 BHCB N#CN/N=N/c1cc(Cl)c(Cl)c(Cl)c1 17885764 FCVPWUVPYGTRLE-UHFFFAOYSA-N 249.488 3.716 10 40 BHCB Cc1ccc2c(c1)-c1nc3ccccc3cc1C2=O 50726 FVTYVLDLZBEBQI-UHFFFAOYSA-N 245.281 3.755 10 40 BHCB biogenic CN(C)c1ccc(N=Nc2ccccn2)cc1 254489727 IOJNPSPGHUEJAQ-UHFFFAOYSA-N 226.283 3.563 10 40 BHCB Cc1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 5588025 WFHDRCKQDGDCQR-UHFFFAOYSA-N 227.307 3.523 10 40 BHCB CCOC(=O)c1cc2ccccc2cc1N=N 4995122 QJQJXVJCBWUINW-UHFFFAOYSA-N 228.251 3.679 10 40 BHCB CN(C)c1ccc(/N=N/c2nccs2)cc1 103044348 GYNBRTUYPVOSGE-BUHFOSPRSA-N 232.312 3.625 10 40 BHCB O=[N+]([O-])c1ccc(/N=N\c2ccc(O)cc2)cc1 100009138 NRJPVIOTANUINF-YPKPFQOOSA-N 243.222 3.716 10 40 BHCB COC(=O)c1ccc(/N=N\c2ccccc2)cc1 100391297 SUFXZYCPKGRJIZ-NXVVXOECSA-N 240.262 3.889 10 40 BHCB Nc1cc(F)c(/N=N/c2ccccc2)c(F)c1 100453020 RLYZHYOIYSAXLT-WUKNDPDISA-N 233.221 3.962 10 40 BHCB Oc1cccc(/N=N/c2cccc(O)c2)c1 13403691 KONUTRXTUUBGKS-BUHFOSPRSA-N 214.224 3.513 10 40 BHCB Oc1ccccc1[C@@H]1Nc2ccccc2S1 5740968 OVJLMQOPYWHKRH-CYBMUJFWSA-N 229.304 3.609 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccncc3)[C@H]2C1 4140570 XMUOAVOTTRCNEM-KMFMINBZSA-N 248.329 3.908 10 40 BHCB in-vitro Cc1c(C(C)(C)C)c(C=S)n2ccccc12 481512 SVZMMZLVEAPILD-UHFFFAOYSA-N 231.364 3.893 10 40 BHCB Cc1ccc(NCc2ccccc2O)c(C)c1 1601788 XZYRLCARLHHZJT-UHFFFAOYSA-N 227.307 3.621 10 40 BHCB Cc1c(N)ccc(/N=N/c2ccc(F)cc2)c1N 73740097 VCNSFFVNLNCFFA-ISLYRVAYSA-N 244.273 3.714 10 40 BHCB Nc1cc(F)c(/N=N\c2ccccc2)c(F)c1 18155476 RLYZHYOIYSAXLT-MSUUIHNZSA-N 233.221 3.962 10 40 BHCB CCn1c(-c2ccc(C)cc2)cnc1SC 44085251 UMHFCIVHKZTQFE-UHFFFAOYSA-N 232.352 3.600 10 40 BHCB CC(=S)c1cc(Cl)cc(Cl)c1 228968026 XEXIVWGXJOKNPM-UHFFFAOYSA-N 205.109 3.731 10 40 BHCB Cc1c(N)ccc(/N=N/c2ccccc2)c1N 5159673 CAGBLWRDOQVQDD-WUKNDPDISA-N 226.283 3.575 10 40 BHCB Cc1c(Cl)cccc1NCc1ccccc1O 19905475 KUXYVKANJLAZAW-UHFFFAOYSA-N 247.725 3.966 10 40 BHCB CN(C)c1ccc(/N=N\c2ccc(O)cc2)cc1 100013110 CQKQINNUKSBEQR-NXVVXOECSA-N 241.294 3.874 10 40 BHCB Oc1cccc(/N=N\c2cccc(O)c2)c1 100367946 KONUTRXTUUBGKS-YPKPFQOOSA-N 214.224 3.513 10 40 BHCB Cc1cc(O)c(O)cc1C/C=C/c1ccccc1 1560380 ZOODPVYZFMAYIZ-VMPITWQZSA-N 240.302 3.662 10 40 BHCB CCOc1ccc(/N=N/c2nc(C)c[nH]2)cc1 18194701 DNLMSFKQRKZGKK-FOCLMDBBSA-N 230.271 3.532 10 40 BHCB COc1ccc(/N=N/c2ccc(CO)cc2)cc1 18209248 OFFHRTAABMTUCR-FOCLMDBBSA-N 242.278 3.603 10 40 BHCB Nc1c(F)cc(/N=N\c2ccccc2)cc1F 100427458 FEGXVSFJDYSYGI-MSUUIHNZSA-N 233.221 3.962 10 40 BHCB NCCC=C1c2ccccc2CCc2ccccc21 6117307 PTQFRALDEONNOA-UHFFFAOYSA-N 249.357 3.566 10 40 BHCB world Cc1ccc(Cl)cc1-n1c(C)cc(CN)c1C 11851023 LJKJVNWZRLWYEV-UHFFFAOYSA-N 248.757 3.515 10 40 BHCB [N-]=[N+]=NCc1ccc(Cl)cc1Cl 37206920 DPWAOPWCMVZEMA-UHFFFAOYSA-N 202.044 3.804 10 40 BHCB in-vitro Nc1ccc(Oc2ccc(F)c(Cl)c2)cc1 14630133 VMXCUIQPQNJTMJ-UHFFFAOYSA-N 237.661 3.854 10 40 BHCB O=Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 69236326 BIUDTORHHCZWLD-UHFFFAOYSA-N 248.285 3.556 10 40 BHCB Cc1ccc(C)c(NCc2ccccc2O)c1 19964596 ICSSEROQLNYJAG-UHFFFAOYSA-N 227.307 3.621 10 40 BHCB O=Cc1ccc(/N=N/c2ccc(C=O)cc2)cc1 34586853 QRHDFPNRGBRHTC-FOCLMDBBSA-N 238.246 3.727 10 40 BHCB CN(C)c1ccc(/N=N\c2ccncc2)cc1 104149079 FUVJXDPEJMGTFG-NXVVXOECSA-N 226.283 3.563 10 40 BHCB Cc1ccc(/N=N/c2sc(=N)[nH]c2C)cc1C 16953685 GURHYJXYUYTCLC-FOCLMDBBSA-N 246.339 3.896 10 40 BHCB CN(C)c1ccc(/N=N\c2nccs2)cc1 17722193 GYNBRTUYPVOSGE-YPKPFQOOSA-N 232.312 3.625 10 40 BHCB Cc1ccccc1/N=N/c1ccc(O)c(CO)c1 70461646 DMOWQIGFXBQYKQ-FOCLMDBBSA-N 242.278 3.608 10 40 BHCB Cc1cccc(NCc2cc(Cl)ccc2O)c1 19877219 TZELXGABZKQNRM-UHFFFAOYSA-N 247.725 3.966 10 40 BHCB O=[N+]([O-])c1cccc(/N=N/c2ccc(O)cc2)c1 18057938 SLYQPPRDXYMFGP-BUHFOSPRSA-N 243.222 3.716 10 40 BHCB Oc1cccc(O)c1/N=N/c1ccccc1F 108175569 NRJZLCRLKCHZCI-CCEZHUSRSA-N 232.214 3.652 10 40 BHCB Cc1cccc(/N=N/c2c(O)cccc2O)c1 107364898 AZWIZXXWUMYQOM-CCEZHUSRSA-N 228.251 3.822 10 40 BHCB Nc1ccc(Nc2nc3ccccc3s2)cc1 3850807 JSUWBBQTCBPTNM-UHFFFAOYSA-N 241.319 3.622 10 40 BHCB biogenic Cc1nn(C)c(Cl)c1/N=N/c1ccccc1 4277525 VVHYNADMYWBVPW-BUHFOSPRSA-N 234.690 3.797 10 40 BHCB CN(C)/N=N/c1c(Cl)cccc1Cl 18044439 DMSWQSCLSFKFIV-VAWYXSNFSA-N 218.087 3.554 10 40 BHCB CCCC[C@@H](CC)Oc1ccc(N)cc1 8702437 HFVOVQOCKWSHPQ-GFCCVEGCSA-N 207.317 3.616 10 40 BHCB C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)C[C@@H]1CC=C[C@H]41 15135162 IEFXFGCWVIALAY-XGUBFFRZSA-N 249.357 3.840 10 40 BHCB C1=C[C@@H]2c3cccc4c3N(C[C@@H]2C1)C[C@@H]1CC=C[C@H]41 15135160 IEFXFGCWVIALAY-AJNGGQMLSA-N 249.357 3.840 10 40 BHCB [N-]=[N+]=NCc1cc2cccc(F)c2nc1Cl 685937226 NZRCRLZZIMMSIG-UHFFFAOYSA-N 236.637 3.838 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@H](c3ccncc3)[C@H]2C1 13116604 XMUOAVOTTRCNEM-UKPHBRMFSA-N 248.329 3.908 10 40 BHCB in-vitro Nc1ccc(CCCc2ccc(F)cc2)cc1 47845247 SLERLVNNLWBCMS-UHFFFAOYSA-N 229.298 3.583 10 40 BHCB Cc1ccc(-n2c(C)cc(CO)c2C)cc1Cl 32104969 FBMQFZZMUQQSLP-UHFFFAOYSA-N 249.741 3.548 10 40 BHCB ON(/N=N\c1ccccc1)c1ccccc1 100532462 ZCEDOGRASZXYHU-YPKPFQOOSA-N 213.240 3.581 10 40 BHCB Cc1cc(CO)c(C)n1-c1ccc(C(C)C)cc1 8701667 YEZOVWGAQPTROQ-UHFFFAOYSA-N 243.350 3.710 10 40 BHCB Cc1ccc([C@@H](N=[N+]=[N-])C(F)(F)F)cc1 1772715153 LGHXIGTUGRJTAI-MRVPVSSYSA-N 215.178 3.909 10 40 BHCB Cc1ccc(Oc2ccc(N)cc2)c(C)c1 4227346 XGYPQXLJXBMFHB-UHFFFAOYSA-N 213.280 3.678 10 40 BHCB CCCCN(CCCC)c1ccc(N)cc1 12419923 ARKYDGLMGXZGFC-UHFFFAOYSA-N 220.360 3.675 10 40 BHCB O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1 110288 LISLDGCWYOIVSJ-RVDMUPIBSA-N 248.281 3.668 10 40 BHCB biogenic Cc1ccc(/N=N/c2ccc(N)cc2)cc1 3896823 PBKCJNOFHGLNEZ-FOCLMDBBSA-N 211.268 3.993 10 40 BHCB Cc1ccc(C)c(Oc2ccc(N)cc2)c1 4227343 BAZJFRJWZAPKGB-UHFFFAOYSA-N 213.280 3.678 10 40 BHCB Cc1cc(NCc2ccccc2O)ccc1Cl 44836114 AGBRLBOKZXSYOJ-UHFFFAOYSA-N 247.725 3.966 10 40 BHCB Oc1ccccc1CNc1ccccc1Cl 3278014 JICVFOZMJQFGKJ-UHFFFAOYSA-N 233.698 3.658 10 40 BHCB Cc1c(Cl)cccc1-n1c(C)cc(CN)c1C 11851021 WFRQKRHGEGBVFN-UHFFFAOYSA-N 248.757 3.515 10 40 BHCB Nc1nc(-c2csc3ccccc23)cs1 69857 KZYOELPVZVDPGC-UHFFFAOYSA-N 232.333 3.607 10 40 BHCB c1csc([C@@H]2CCNc3ccccc3N2)c1 6732119 LEFCCRGYHRDPRB-LBPRGKRZSA-N 230.336 3.717 10 40 BHCB CCCN(CCC)/N=N\c1ccccc1 100319226 MHNQVULYVOWIIZ-YPKPFQOOSA-N 205.305 3.807 10 40 BHCB CC(C)(C)NCc1cc(Cl)cc(Cl)c1O 22143295 CDPRKIQMGOCHIX-UHFFFAOYSA-N 248.153 3.587 10 40 BHCB CCN1c2ccc(CNC)cc2[C@@H](C)CC1(C)C 223782122 GHONGOUPWXRESQ-LBPRGKRZSA-N 246.398 3.518 10 40 BHCB Nc1ccc(Oc2ccc(Cl)cc2F)cc1 71766690 GMYJNURSKLSHHK-UHFFFAOYSA-N 237.661 3.854 10 40 BHCB Cc1cc(/N=N\c2ccc(N(C)C)cc2)ccn1 104149074 OYTUMGSVQAGPEY-MSUUIHNZSA-N 240.310 3.871 10 40 BHCB Nc1ccc(CCCCOc2ccccc2)cc1 1728502 LCRXUGVYUQYTLL-UHFFFAOYSA-N 241.334 3.671 10 40 BHCB CCc1ccc(Oc2ccc(N)cc2)cc1 4227341 HSZDEKXXWFNXMN-UHFFFAOYSA-N 213.280 3.624 10 40 BHCB Cc1ccc(-n2c(C)cc(CN)c2C)cc1Cl 11851029 MSKZAZGLKLPRTM-UHFFFAOYSA-N 248.757 3.515 10 40 BHCB Cc1cc(-n2c(C)cc(CO)c2C)ccc1Cl 223702098 BPQHKLGJKWSVRN-UHFFFAOYSA-N 249.741 3.548 10 40 BHCB CCNCc1ccc2c(c1)[C@H](C)CC(C)(C)N2C 223784239 HNIXICCVLDMFAS-GFCCVEGCSA-N 246.398 3.518 10 40 BHCB FC(F)(F)c1ccc(/N=N/N2CCCC2)cc1 1651062 AADGQEUMOVPMFD-FOCLMDBBSA-N 243.232 3.800 10 40 BHCB Cc1ccc(/N=N\c2cccnc2O)cc1C 104124387 HTBZMRRXENZTAD-NXVVXOECSA-N 227.267 3.819 10 40 BHCB CCC(=O)c1sc2ccccc2c1C 16610024 LQIXUUNVMOWLHC-UHFFFAOYSA-N 204.294 3.802 10 40 BHCB Oc1cccc(O)c1/N=N/c1cccc(F)c1 108129007 UIKGETNCULIXOC-CCEZHUSRSA-N 232.214 3.652 10 40 BHCB Cc1cc(C)c2c(C)c3cccc[n+]3cc2c1 1730443 GKIUWMBTJBOTTR-UHFFFAOYSA-N 222.311 3.504 10 40 BHCB O=C(O)c1cc(/N=N\c2ccccc2)ccc1O 100061734 JHDYSXXPQIFFJZ-PFONDFGASA-N 242.234 3.506 10 40 BHCB Cc1ccccc1CSc1nccs1 98078738 IHVUCGZPBVHWCR-UHFFFAOYSA-N 221.350 3.744 10 40 BHCB Cc1ccc(/N=N/c2ccc(O)c(C=O)c2)cc1 70461642 FTAZRBPLETWDCS-FOCLMDBBSA-N 240.262 3.929 10 40 BHCB Cc1cc(/N=N/c2ccncc2C)ccc1N 18044313 VOJKWYGNVKVJAW-WUKNDPDISA-N 226.283 3.696 10 40 BHCB CCN1c2cc(C)c(CN)cc2[C@H](C)CC1(C)C 260725338 UVSWXDPMIYTMSR-GFCCVEGCSA-N 246.398 3.566 10 40 BHCB [N-]=[N+]=NCc1cc2ccc(F)cc2nc1Cl 685937073 IPOVQEYSSHGHIV-UHFFFAOYSA-N 236.637 3.838 10 40 BHCB Nc1ccc(Oc2cccc3cccnc23)cc1 20296633 SAAYSIWKJVTQTL-UHFFFAOYSA-N 236.274 3.609 10 40 BHCB in-vitro CC[C@@H](N=[N+]=[N-])C(=O)c1c(C)[nH]c2ccccc12 97977252 VDSHQSTZGQNCBO-SNVBAGLBSA-N 242.282 3.748 10 40 BHCB CCC(=S)c1ccc(C(F)(F)F)cc1F 228964738 AZYYVNJUCOBKSU-UHFFFAOYSA-N 236.233 3.973 10 40 BHCB COc1ccc2nc(Cl)c(CN=[N+]=[N-])cc2c1 139666727 OGOTYBIZPUFUJT-UHFFFAOYSA-N 248.673 3.707 10 40 BHCB Cc1cc(Cl)ccc1-n1c(C)cc(CN)c1C 11851022 FEAVRBKDQKYSHP-UHFFFAOYSA-N 248.757 3.515 10 40 BHCB Cc1noc(C)c1/N=N/c1ccc([N+](=O)[O-])cc1 4015219 SNRCXNZQKHKBSH-OUKQBFOZSA-N 246.226 3.615 10 40 BHCB CCc1ccccc1NCc1ccccc1O 19956471 ORBZYIJGPMEGOZ-UHFFFAOYSA-N 227.307 3.567 10 40 BHCB CN(C)c1ccc(/C=C\c2ccc(N)cc2)cc1 31331796 GCHSJPKVJSMRDX-ARJAWSKDSA-N 238.334 3.505 10 40 BHCB Cc1cc(/N=N\c2ccccc2)ccc1N 100380900 ZQNCDLBRYKNRBK-NXVVXOECSA-N 211.268 3.993 10 40 BHCB CCCCN(CCCC)Cc1ccccc1O 1694544 ACCAACYZYKXIOZ-UHFFFAOYSA-N 235.371 3.794 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@@H](c3ccncc3)[C@@H]2C1 2578375 XMUOAVOTTRCNEM-UNEWFSDZSA-N 248.329 3.908 10 40 BHCB in-vitro C[C@@H](CC1CCCCC1)NCc1ccccc1O 34875345 IRWBEPDMVHOCPD-ZDUSSCGKSA-N 247.382 3.841 10 40 BHCB CCCN1c2ccc(CN)cc2[C@@H](C)CC1(C)C 223779660 KYWSJRYUWBIEMY-LBPRGKRZSA-N 246.398 3.648 10 40 BHCB Cc1ccc(O)c(N=Nc2ccccc2)n1 13557614 LOCPVWIREQIGNQ-UHFFFAOYSA-N 213.240 3.511 10 40 BHCB biogenic,in-vitro Cc1cc(C)c(-c2nc(N)sc2C)cc1C 2650193 OXFISNMEGPNATE-UHFFFAOYSA-N 232.352 3.626 10 40 BHCB OCc1ccc(/N=N/c2ccccc2)cc1 18068099 KDTXPUDCLDUROO-CCEZHUSRSA-N 212.252 3.594 10 40 BHCB CN(C)/N=N\c1c(Cl)cccc1Cl 104191181 DMSWQSCLSFKFIV-QXMHVHEDSA-N 218.087 3.554 10 40 BHCB Oc1ccc(/N=N\c2ccccc2)c(O)c1 3861453 BPTKLSBRRJFNHJ-YPKPFQOOSA-N 214.224 3.513 10 40 BHCB Cc1ccc(N/N=N/c2ccccn2)cc1 66088727 AVVJWBUDAMQEJB-UHFFFAOYSA-N 212.256 3.501 10 40 BHCB O=C(O)c1cccc(/N=N/c2ccccc2)c1O 18209549 FHRKQIBIGIQUCC-CCEZHUSRSA-N 242.234 3.506 10 40 BHCB Oc1cc(O)cc(N=Nc2ccccc2)c1 299888219 AKEJWZBTXCLPTH-UHFFFAOYSA-N 214.224 3.513 10 40 BHCB Oc1ccc(-c2csc(=S)s2)cc1O 14628817 MJXRUHBFTLWBNR-UHFFFAOYSA-N 242.346 3.617 10 40 BHCB Nc1ccc(Oc2ccc3c(c2)CCC3)cc1 9239356 IIHYVFFHRWAUPO-UHFFFAOYSA-N 225.291 3.550 10 40 BHCB [N-]=[N+]=NC12CC3C4CC5CC3C(C1)C(C5)C4C2 5566575 WGSWUQPIDSQYLO-UHFFFAOYSA-N 229.327 3.758 10 40 BHCB C1=C[C@H]2c3ccccc3N[C@@H](c3ccncc3)[C@H]2C1 4003808 XMUOAVOTTRCNEM-QRTARXTBSA-N 248.329 3.908 10 40 BHCB CCc1cccc(NCc2ccccc2O)c1 19962131 LRMQEJMUUNSLQG-UHFFFAOYSA-N 227.307 3.567 10 40 BHCB CCNCc1cc(C)n(-c2ccc(C)cc2)c1C 113704305 PKJJWDKYOQYIKX-UHFFFAOYSA-N 242.366 3.512 10 40 BHCB Cc1cc(C)c(-n2c(C)cc(CO)c2C)c(C)c1 470869 MBOXQWHZZQPVBL-UHFFFAOYSA-N 243.350 3.512 10 40 BHCB O=C(CC(=S)c1cccs1)c1ccccc1 4193189 ONXMTUMRMNKWSY-UHFFFAOYSA-N 246.356 3.739 10 40 BHCB O=C(O)c1cc(O)ccc1/N=N/c1ccccc1 4963453 CKWHWHUIUBKIER-CCEZHUSRSA-N 242.234 3.506 10 40 BHCB CC(=O)c1cc(C)n(-c2ccccc2C)c1C 32015425 KRKSXPHQKXHQSM-UHFFFAOYSA-N 227.307 3.605 10 40 BHCB Cc1cc(C)cc(-n2c(C)cc(C=O)c2C)c1 555306 LXQVCJXWGBRXTN-UHFFFAOYSA-N 227.307 3.523 10 40 BHCB O=Cc1cc(/N=N/c2ccc(F)cc2)ccc1O 70461969 UQIWCSGKBUIBQJ-FOCLMDBBSA-N 244.225 3.759 10 40 BHCB COc1cc(Cl)cc(Oc2ccc(N)cc2)c1 228957417 BTDYWOIOZRRWIF-UHFFFAOYSA-N 249.697 3.723 10 40 BHCB CCC(=S)c1cccc(C(F)(F)F)c1 228963774 MYKOPHAUAOPXBL-UHFFFAOYSA-N 218.243 3.833 10 40 BHCB O=C(O)c1ccc(/N=N\c2ccc(O)cc2)cc1 103278224 HLVCZTOFOWHIJZ-PFONDFGASA-N 242.234 3.506 10 40 BHCB Cc1ccc(-c2nc(CN=[N+]=[N-])c(C)o2)cc1 72265080 AKYKHIRWKOXXQR-UHFFFAOYSA-N 228.255 3.769 10 40 BHCB CCCN1c2ccc(CN)cc2C(C)=CC1(C)C 223795335 AYOXADYSCQVUCD-UHFFFAOYSA-N 244.382 3.557 10 40 BHCB Nc1ccc(Nc2ccnc3ccccc23)cc1 34407479 RFCWOLXEQQIQLX-UHFFFAOYSA-N 235.290 3.561 10 40 BHCB Oc1ccc(Cl)cc1/N=N/c1cccnc1 5799447 ZZKWBYVEIPMHIC-CCEZHUSRSA-N 233.658 3.856 10 40 BHCB CCCN1c2ccc(CN)cc2[C@H](C)CC1(C)C 260719648 KYWSJRYUWBIEMY-GFCCVEGCSA-N 246.398 3.648 10 40 BHCB CC(C)c1cc(CN(C)C)c(O)c(C(C)(C)C)c1 1583659 GVUNWVGYJROCEX-UHFFFAOYSA-N 249.398 3.875 10 40 BHCB in-vitro Cc1cc(C)c(-c2nc(N)sc2C)c(C)c1 36162718 UWMQECXWKMWCBP-UHFFFAOYSA-N 232.352 3.626 10 40 BHCB CCCNCc1cc(C)n(-c2ccccc2)c1C 36923345 CORXBVZWPWCKEI-UHFFFAOYSA-N 242.366 3.594 10 40 BHCB CC(C)c1ccc(CN(C)C)c(O)c1C(C)(C)C 1688145 LVPGPULMLFJZCS-UHFFFAOYSA-N 249.398 3.875 10 40 BHCB O=Cc1cc(/N=N/c2ccccc2F)ccc1O 70461966 PKNYVWYRDSXPOR-FOCLMDBBSA-N 244.225 3.759 10 40 BHCB C[C@H](CC1CCCCC1)NCc1ccccc1O 45166848 IRWBEPDMVHOCPD-CYBMUJFWSA-N 247.382 3.841 10 40 BHCB Cc1cc(Cl)ccc1-n1c(C)cc(CO)c1C 32104966 WHNWMMHSXVJHMV-UHFFFAOYSA-N 249.741 3.548 10 40 BHCB CCCCC(C)(C)c1ccc(O)c(O)c1 5417704 ZWJIMGJEFLXTOY-UHFFFAOYSA-N 208.301 3.566 10 40 BHCB COc1ccccc1/N=N/c1c(C)noc1C 13142825 LGQVBDFWRLUZET-BUHFOSPRSA-N 231.255 3.715 10 40 BHCB CC(C)c1ccc(Oc2ccc(N)cn2)cc1 11730765 IZMGJPCUJXDZLD-UHFFFAOYSA-N 228.295 3.580 10 40 BHCB Cc1ccccc1/N=N/c1c(O)cccc1O 107406392 BIFIPFAMNAEGRZ-CCEZHUSRSA-N 228.251 3.822 10 40 BHCB CSc1ccc(-n2c(C)cc(C=O)c2C)cc1 8701898 OQDUCVCWGZAWNM-UHFFFAOYSA-N 245.347 3.629 10 40 BHCB O=[N+]([O-])c1ccccc1/N=N\Nc1ccccc1 17354829 CJKVUAVRBPXZBX-UHFFFAOYSA-N 242.238 3.706 10 40 BHCB CCN1c2cc(C)c(CN)cc2[C@@H](C)CC1(C)C 223780025 UVSWXDPMIYTMSR-LBPRGKRZSA-N 246.398 3.566 10 40 BHCB C1=C[C@H]2c3ccccc3N[C@@H](c3ccncc3)[C@@H]2C1 4140571 XMUOAVOTTRCNEM-LXZKKBNFSA-N 248.329 3.908 10 40 BHCB Cc1ccccc1/N=N/c1ccc(O)c(C=O)c1 59325723 WHNTULLXJHPZEV-FOCLMDBBSA-N 240.262 3.929 10 40 BHCB Oc1ccc2ccccc2c1CNC1CCCC1 19883380 PLWZXGPLMKKELG-UHFFFAOYSA-N 241.334 3.578 10 40 BHCB in-vitro Nc1ccc(CCc2cccc(Cl)c2)cc1 140892987 HEFZPZLMEWXHHH-UHFFFAOYSA-N 231.726 3.707 10 40 BHCB Nc1ccc(Cc2ccc(Cl)cc2)cc1 1722739 XBWJBPNVDRSJCK-UHFFFAOYSA-N 217.699 3.513 10 40 BHCB Cc1cc(/N=N/c2ccccc2C)c(N)cc1N 17156215 LFAUQAQLVVJIAC-ISLYRVAYSA-N 240.310 3.883 10 40 BHCB Cc1ccc(/N=N\c2sc(=N)[nH]c2C)cc1C 104128615 GURHYJXYUYTCLC-NXVVXOECSA-N 246.339 3.896 10 40 BHCB CN(C)/N=N\c1ccc(-c2ccccc2)cc1 100374428 WIPXHMSXTWJKCY-NXVVXOECSA-N 225.295 3.914 10 40 BHCB [N-]=[N+]=NCc1cc2c(F)cccc2nc1Cl 685936844 ASCAOSLZXLDMPF-UHFFFAOYSA-N 236.637 3.838 10 40 BHCB Cc1ccc(C)n1-c1cccc2ncccc12 492833 OCFYNJLGLXZOHU-UHFFFAOYSA-N 222.291 3.642 10 40 BHCB [N-]=[N+]=NCCCCCCCCCCC(=O)O 5828506 LXAVFOAOGZWQKT-UHFFFAOYSA-N 227.308 3.892 10 40 BHCB Cc1ccc(-c2cccnc2)n1-c1ccccc1 228928455 PBACSXTWXRXVCT-UHFFFAOYSA-N 234.302 3.848 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@H](c3cccnc3)[C@@H]2C1 13388902 XHRJZONPWDDNHS-FRFSOERESA-N 248.329 3.908 10 40 BHCB Cc1ccc(-n2c(C)cc(C=O)c2C)c(Cl)c1 21951603 PNAFTTICXAILML-UHFFFAOYSA-N 247.725 3.868 10 40 BHCB Cc1ccc(C)n1-c1ccc2ncsc2c1 4003518 IDILYOBTGGXADC-UHFFFAOYSA-N 228.320 3.704 10 40 BHCB Cc1cc(C(C)(C)C)cc(CNC(C)(C)C)c1O 1679628 NNGQTOGEVTZLDH-UHFFFAOYSA-N 249.398 3.886 10 40 BHCB CC(C)Cc1ccc(C=O)n1Cc1ccccc1 226023254 WXRUILOZAJNPJF-UHFFFAOYSA-N 241.334 3.547 10 40 BHCB Cc1ccc([C@H](N=[N+]=[N-])C(F)(F)F)cc1 1772715154 LGHXIGTUGRJTAI-QMMMGPOBSA-N 215.178 3.909 10 40 BHCB CCNCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 223784177 HNIXICCVLDMFAS-LBPRGKRZSA-N 246.398 3.518 10 40 BHCB Cc1ccc(-c2cccn2C)n1-c1ccccc1 228919341 VNLXLLAKEDNOEG-UHFFFAOYSA-N 236.318 3.791 10 40 BHCB Cc1cccc(/N=N/c2ccc(O)c(C=O)c2)c1 3865413 KBKCTOSOOWJJRG-FOCLMDBBSA-N 240.262 3.929 10 40 BHCB Cc1cccc(C)c1/N=N/c1sc(=N)[nH]c1C 104128623 YZWSMWNVDABUHI-FOCLMDBBSA-N 246.339 3.896 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@H](c3ccncc3)[C@@H]2C1 13116603 XMUOAVOTTRCNEM-FRFSOERESA-N 248.329 3.908 10 40 BHCB in-vitro C=C(c1ccccc1)c1ccc(N(C)C)cc1 1509057 CUNGEDBAKYMGML-UHFFFAOYSA-N 223.319 3.814 10 40 BHCB Oc1ccccc1[C@H]1Nc2ccccc2S1 5740970 OVJLMQOPYWHKRH-ZDUSSCGKSA-N 229.304 3.609 10 40 BHCB CSc1cccc(-n2c(C)cc(C=O)c2C)c1 19806611 JWVSAYKXOKYWFR-UHFFFAOYSA-N 245.347 3.629 10 40 BHCB Nc1ccc(OC2CCCCCCC2)cc1 8702447 IUZLBXRODAPFNL-UHFFFAOYSA-N 219.328 3.761 10 40 BHCB Nc1cccc(Cl)c1NC1CCCCC1 34939542 ZNCMZPAKYIJCNN-UHFFFAOYSA-N 224.735 3.667 10 40 BHCB Nc1ccc(Oc2ccnc3ccccc23)cc1 44376725 IWMHEXQDMAAWAX-UHFFFAOYSA-N 236.274 3.609 10 40 BHCB [N-]=[N+]=NC12CC3C[C@H]4C5CC(C[C@@H]41)C[C@@H]2[C@H]5C3 104227162 BUTZBUITXHYIGY-MOWAUZOQSA-N 229.327 3.758 10 40 BHCB S=C(Cc1ccccc1)c1ccccc1 32144538 WGNHYOSRJXYRMI-UHFFFAOYSA-N 212.317 3.647 10 40 BHCB CC(=S)c1cc(F)c(Cl)cc1Cl 228960903 NYJQNAOOEUYFHB-UHFFFAOYSA-N 223.099 3.870 10 40 BHCB CC(C)(C)c1nc(-c2ccc(O)c(O)c2)cs1 32911925 BBKJRJSQANTTFZ-UHFFFAOYSA-N 249.335 3.519 10 40 BHCB CC(C)N1c2ccc(CN)cc2[C@H](C)CC1(C)C 260714144 ATIKXGGJEHAIHE-GFCCVEGCSA-N 246.398 3.646 10 40 BHCB C[C@@H]1CCCC[C@@H]1Nc1c(N)cccc1Cl 20383652 HCZRUHDLPKTTJX-SKDRFNHKSA-N 238.762 3.913 10 40 BHCB CN(/N=N/N(C)c1ccccc1)c1ccccc1 2069 WRINSSLBPNLASA-FOCLMDBBSA-N 240.310 3.541 10 40 BHCB in-man CCNCc1cc(C)n(-c2cccc(C)c2)c1C 223665600 DFDVFPSTHHGRHD-UHFFFAOYSA-N 242.366 3.512 10 40 BHCB CCCCC[C@@H](C)Oc1ccc(N)cc1 8702435 IVZTXIMQVSWSIZ-LLVKDONJSA-N 207.317 3.616 10 40 BHCB c1ccc(/N=N\c2n[nH]c3ccccc23)cc1 104149123 WHOIBZORYNWAIY-PEZBUJJGSA-N 222.251 3.978 10 40 BHCB O=C(/N=N/c1ccccc1)NC1CCCCC1 18058069 HHNIOJKZJPVAEX-FOCLMDBBSA-N 231.299 3.813 10 40 BHCB C1=C[C@H]2c3ccccc3N[C@@H](c3ccccn3)[C@H]2C1 58850548 FICCLDNRXKXDJV-RVSPLBMKSA-N 248.329 3.908 10 40 BHCB O=C(O)c1cc(O)ccc1/N=N\c1ccccc1 17421107 CKWHWHUIUBKIER-PFONDFGASA-N 242.234 3.506 10 40 BHCB Nc1ccc(Oc2ccc3ccccc3c2)nc1 22209799 QVEMGQSEKKURHQ-UHFFFAOYSA-N 236.274 3.609 10 40 BHCB CC[C@H](N=[N+]=[N-])C(=O)c1c(C)[nH]c2ccccc12 97977251 VDSHQSTZGQNCBO-JTQLQIEISA-N 242.282 3.748 10 40 BHCB O=C(O)c1ccc(/N=N\c2ccccc2)cc1 100009533 CSPTZWQFHBVOLO-PFONDFGASA-N 226.235 3.800 10 40 BHCB FC(F)(F)C(=S)Cc1ccccc1Cl 228969388 QRXLGIYPUDNIKK-UHFFFAOYSA-N 238.661 3.815 10 40 BHCB C[C@@]1(c2ccccc2O)Nc2ccccc2S1 2048395 NCIYJNHGOUNYSG-CQSZACIVSA-N 243.331 3.783 10 40 BHCB c1ccc(/N=N/c2n[nH]c3ccccc23)cc1 18192647 WHOIBZORYNWAIY-JQIJEIRASA-N 222.251 3.978 10 40 BHCB FC(F)(F)c1ccc(/N=N\N2CCCC2)cc1 104317272 AADGQEUMOVPMFD-NXVVXOECSA-N 243.232 3.800 10 40 BHCB Cc1cccc(CCCc2ccc(N)cc2)c1 34234602 PNIPHQJDUOTAPP-UHFFFAOYSA-N 225.335 3.753 10 40 BHCB C1=C[C@@H]2c3ccccc3N[C@@H](c3cccnc3)[C@@H]2C1 2584201 XHRJZONPWDDNHS-UNEWFSDZSA-N 248.329 3.908 10 40 BHCB Cc1cccc(NCc2ccccc2O)c1C 3643122 LKMUKMVVBSRNDX-UHFFFAOYSA-N 227.307 3.621 10 40 BHCB CSc1ccccc1-n1c(C)ccc1C 8413528 AWWGEAVIOXALKZ-UHFFFAOYSA-N 217.337 3.816 10 40 BHCB CC(C)CC[C@H](C)Nc1ccc(N)cc1 69630356 MDDXGELKFXXQDP-NSHDSACASA-N 206.333 3.505 10 40 BHCB Nc1ccc(CCCc2ccccc2F)cc1 47845250 JZIMUKUMIXULQF-UHFFFAOYSA-N 229.298 3.583 10 40 BHCB C1=C[C@H]2c3ccccc3N[C@@H](c3cccnc3)[C@@H]2C1 4140578 XHRJZONPWDDNHS-LXZKKBNFSA-N 248.329 3.908 10 40 BHCB CC(=S)c1ccc(Cl)cc1Cl 199456420 CPEQUPVSIDOBJQ-UHFFFAOYSA-N 205.109 3.731 10 40 BHCB Cc1ccc(C)n1-c1cccc(Cl)c1 4620714 BIBIJBWTHPHLNZ-UHFFFAOYSA-N 205.688 3.748 10 40 BHCB Nc1ccc(OCc2cccc(Cl)c2)cc1 19276601 SSJSHCMGUKSNKE-UHFFFAOYSA-N 233.698 3.501 10 40 BHCB Oc1cccc(O)c1/N=N/c1ccccc1 110341849 CUXLQCCNKWXRBU-BUHFOSPRSA-N 214.224 3.513 10 40 BHCB [N-]=[N+]=N[C@@H]1CCc2c(Br)cccc21 1775973648 PXXGBORJZUJVFL-SECBINFHSA-N 238.088 3.747 10 40 BHCB CC(C)CC[C@@H](C)Nc1ccc(N)cc1 69630354 MDDXGELKFXXQDP-LLVKDONJSA-N 206.333 3.505 10 40 BHCB Cc1ccnc(/N=N/c2cc(C)ccn2)c1 101660994 FAXGDBZARLETEC-FOCLMDBBSA-N 212.256 3.509 10 40 BHCB CC(=S)c1ccc(C(F)(F)F)cc1F 228967869 ITAAOBUBLNYZPQ-UHFFFAOYSA-N 222.206 3.582 10 40 BHCB Cc1ccc(C)c2c(C)c3cccc[n+]3cc12 1578040 VAXONCHKKPAOSY-UHFFFAOYSA-N 222.311 3.504 10 40 BHCB Cc1ccccc1NCc1cc(Cl)ccc1O 19965047 JBVUIVLGMSTLDH-UHFFFAOYSA-N 247.725 3.966 10 40 BHCB COc1ccc(O)c(/N=N/c2ccccc2)c1 100274649 NMGAKGJJUJHMHX-CCEZHUSRSA-N 228.251 3.816 10 40 BHCB O=C1c2ccccc2-c2c1cc(O)c1ccccc21 487753 CMGHSVGJLXOGMT-UHFFFAOYSA-N 246.265 3.757 10 40 BHCB biogenic FC(F)(F)Sc1ccc(C=S)cc1 584577026 OPOPRYXBVZLFGE-UHFFFAOYSA-N 222.256 3.646 10 40 BHCB CC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 32103429 JSNVOGAPLOIVKD-UHFFFAOYSA-N 247.725 3.950 10 40 BHCB Cc1ccc(SCc2ccc(N)cc2)cc1 1574973 SDGPGFLEUFXPCV-UHFFFAOYSA-N 229.348 3.870 10 40 BHCB Cc1ccc(C)n1Cc1ccc(Cl)cc1 346978 LEVXUKJBTZXDGF-UHFFFAOYSA-N 219.715 3.807 10 40 BHCB CC(C)N(c1ccccc1)c1ccc(N)cc1 31622953 VRKQEIXDEZVPSY-UHFFFAOYSA-N 226.323 3.815 10 40 BHCB COc1ccc(C(=O)/N=N\c2ccccc2)cc1 100405612 HWWXDLYQUPLQAX-NXVVXOECSA-N 240.262 3.619 10 40 BHCB Cc1ccc(-c2ccccn2)n1-c1ccccc1 199745590 FZALZPHWOVDQBR-UHFFFAOYSA-N 234.302 3.848 10 40 BHCB CCCN(CCC)/N=N/c1ccccc1 18129184 MHNQVULYVOWIIZ-BUHFOSPRSA-N 205.305 3.807 10 40 BHCB CC(C)=C/C=C\c1ccc(N(C)C)cc1 95611661 HKZCETXCMPPFHR-ALCCZGGFSA-N 201.313 3.732 10 40 BHCB CC(C)(C)NCc1cc(C(C)(C)C)ccc1O 1679625 KZVDGCKVHOQOHP-UHFFFAOYSA-N 235.371 3.578 10 40 BHCB CCOc1ccc(Cn2c(C)ccc2C)cc1 8729267 YGIBCABCNOTNBV-UHFFFAOYSA-N 229.323 3.552 10 40 BHCB COc1ccc(/N=N\c2ccc(O)cc2)cc1 101146046 WEFGJDSWBHPXOK-PFONDFGASA-N 228.251 3.816 10 40 BHCB Cc1c2cccc(Cl)c2c[n+]2ccccc12 1730437 SRHMFOHESGLEGG-UHFFFAOYSA-N 228.702 3.540 10 40 BHCB O=C1C2(CCCCC2)C(=S)C12CCCCC2 14983652 CRBQSRZZWDJTBI-UHFFFAOYSA-N 236.380 3.840 10 40 BHCB Oc1ccc(/N=N/c2nccs2)cc1Cl 16384316 SFMUIPVIODPIBJ-OUKQBFOZSA-N 239.687 3.918 10 40 BHCB Cc1cc(CNC(C)C)c(C)n1-c1ccccc1 36923323 VEROPWZWUKHGHV-UHFFFAOYSA-N 242.366 3.592 10 40 BHCB ON(/N=N/c1ccccc1)c1ccccc1 18175532 ZCEDOGRASZXYHU-BUHFOSPRSA-N 213.240 3.581 10 40 BHCB Cc1cc(/N=N\c2ccccc2C)c(N)cc1N 100453119 LFAUQAQLVVJIAC-ZCXUNETKSA-N 240.310 3.883 10 40 BHCB O=C(O)c1cccc(/N=N\c2ccccc2)c1O 104323102 FHRKQIBIGIQUCC-PFONDFGASA-N 242.234 3.506 10 40 BHCB [N-]=[N+]=NC12CC3C[C@H]4C5CC(C[C@H]41)C[C@@H]2[C@@H]5C3 104227166 BUTZBUITXHYIGY-JAGKDFDISA-N 229.327 3.758 10 40 BHCB Cc1ccc2nccc(Nc3ccc(N)cc3)c2c1 64875339 XELRWEGNWBQUBA-UHFFFAOYSA-N 249.317 3.869 10 40 BHCB