O=C(OCc1ccccc1)c1ccccc1 ZINC000000001021 60/50/59/182605059 SESFRYSPDFLNCH-UHFFFAOYSA-N 0 212.248 BG 3.044 0 Anodyne ref BGAARN O=C(OCc1ccccc1)c1ccccc1 world biogenic aggregator Oc1ccc2ccccc2c1Br ZINC000000001318 28/42/78/183284278 FQJZPYXGPYJJIH-UHFFFAOYSA-N -1 223.069 BG 3.308 1 Anodyne mid BGAAMM [O-]c1ccc2ccccc2c1Br Oc1ccc2ccccc2c1Br ZINC000000001318 28/42/75/183284275 FQJZPYXGPYJJIH-UHFFFAOYSA-N 0 223.069 BG 3.308 0 Anodyne ref BGAARN Oc1ccc2ccccc2c1Br CC(C)Cc1ccc([C@H](C)C(=O)O)cc1 ZINC000000002647 24/43/15/187244315 HEFNNWSXXWATRW-JTQLQIEISA-N -1 206.285 BG 3.073 0 Anodyne ref BGAARM CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1 fda CC(C)C(=O)c1c(C(C)C)nn2ccccc12 ZINC000000004234 66/95/61/342669561 ZJVFLBOZORBYFE-UHFFFAOYSA-N 0 230.311 BG 3.296 0 Anodyne ref BGAARN CC(C)C(=O)c1c(C(C)C)nn2ccccc12 world c1ccc2sc(-c3ccncc3)nc2c1 ZINC000000019639 70/88/86/591708886 PDSIQRUYAXGTJG-UHFFFAOYSA-N 0 212.277 BG 3.358 0 Anodyne ref BGAARN c1ccc2sc(-c3ccncc3)nc2c1 CC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000000030657 67/00/60/342670060 KPXIIXSVXSCVRJ-UHFFFAOYSA-N 0 233.311 BG 3.264 0 Anodyne ref BGAARN CC(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 COc1cccc2c1NC(C)(C)C[C@@H]2C ZINC000000033777 30/39/01/175303901 VRGWTUYPGVAHGX-VIFPVBQESA-N 0 205.301 BG 3.393 0 Anodyne ref BGAARN COc1cccc2c1NC(C)(C)C[C@@H]2C COc1cccc2c1NC(C)(C)C[C@H]2C ZINC000000033778 30/43/03/175304303 VRGWTUYPGVAHGX-SECBINFHSA-N 0 205.301 BG 3.393 0 Anodyne ref BGAARN COc1cccc2c1NC(C)(C)C[C@H]2C O=C(c1ccccc1)c1coc2ccc(O)cc12 ZINC000000036639 67/07/33/342670733 HDHPCXZMHILLOZ-UHFFFAOYSA-N -1 238.242 BG 3.369 3 Anodyne high BGAAHM O=C(c1ccccc1)c1coc2ccc([O-])cc12 O=C(c1ccccc1)c1coc2ccc(O)cc12 ZINC000000036639 67/07/32/342670732 HDHPCXZMHILLOZ-UHFFFAOYSA-N 0 238.242 BG 3.369 0 Anodyne ref BGAARN O=C(c1ccccc1)c1coc2ccc(O)cc12 Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000000038021 77/70/05/181777005 QSEDBGULKWHVNE-UHFFFAOYSA-N 0 210.689 BG 3.046 0 Anodyne ref BGAARN Nc1nc(-c2cccc(Cl)c2)cs1 Cc1cc(Cl)n2c(nc3ccccc32)c1C#N ZINC000000040847 07/11/93/178071193 AKFXQYMORAUSBD-UHFFFAOYSA-N 0 241.681 BG 3.321 0 Mild ref BGEARN Cc1cc(Cl)n2c(nc3ccccc32)c1C#N COc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000000050925 67/12/07/342671207 PLALKSRAHVYFOH-UHFFFAOYSA-N 0 226.275 BG 3.121 0 Anodyne ref BGAARN COc1ccc(C(=O)Cc2ccccc2)cc1 in-vitro Cc1cc(C)n(-c2nc3ccccc3s2)n1 ZINC000000051941 67/14/99/342671499 QIVHQZNEFYWQJH-UHFFFAOYSA-N 0 229.308 BG 3.099 0 Anodyne ref BGAARN Cc1cc(C)n(-c2nc3ccccc3s2)n1 O=C(O)c1ccc(CSc2ccccn2)cc1 ZINC000000052099 56/61/38/182566138 WVJPZRUUOGYPAV-UHFFFAOYSA-N -1 245.303 BG 3.072 0 Anodyne ref BGAARM O=C([O-])c1ccc(CSc2ccccn2)cc1 CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000000052710 45/72/39/384457239 OAMMLKVJDPZWIO-UHFFFAOYSA-N 0 232.308 BG 3.077 0 Anodyne ref BGAARN CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 CCOC(=O)CSc1c(C)[nH]c2ccccc12 ZINC000000054909 23/02/50/170230250 JGBGVTWDRSJBPN-UHFFFAOYSA-N 0 249.335 BG 3.132 0 Anodyne ref BGAARN CCOC(=O)CSc1c(C)[nH]c2ccccc12 CCOC(=O)N1c2ccccc2C=C[C@@H]1OCC ZINC000000056462 31/26/73/132312673 GKQLYSROISKDLL-ZDUSSCGKSA-N 0 247.294 BG 3.039 0 Anodyne ref BGAARN CCOC(=O)N1c2ccccc2C=C[C@@H]1OCC CCOC(=O)N1c2ccccc2C=C[C@H]1OCC ZINC000000056463 31/26/42/132312642 GKQLYSROISKDLL-CYBMUJFWSA-N 0 247.294 BG 3.039 0 Anodyne ref BGAARN CCOC(=O)N1c2ccccc2C=C[C@H]1OCC Nc1ccc(Br)cc1C(F)(F)F ZINC000000056541 67/18/00/342671800 PHXGKHTWEOPCEW-UHFFFAOYSA-N 0 240.022 BG 3.05 0 Anodyne ref BGAARN Nc1ccc(Br)cc1C(F)(F)F Nc1cc(C(F)(F)F)ccc1Br ZINC000000056542 67/18/85/342671885 PZDVFXUBTKPFSG-UHFFFAOYSA-N 0 240.022 BG 3.05 0 Anodyne ref BGAARN Nc1cc(C(F)(F)F)ccc1Br OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000056553 67/20/08/342672008 WCTZPQWLFWZYJE-UHFFFAOYSA-N 0 220.218 BG 3.047 0 Anodyne ref BGAARN OC(c1ccc(F)cc1)c1ccc(F)cc1 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000000056648 18/81/51/170188151 KNHUKKLJHYUCFP-UHFFFAOYSA-N 0 242.702 BG 3.061 0 Anodyne ref BGAARN CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 world Cc1cc(-c2ccc(N)c(C)c2)ccc1N ZINC000000056751 67/18/60/342671860 NUIURNJTPRWVAP-UHFFFAOYSA-N 0 212.296 BG 3.135 0 Anodyne ref BGAARN Cc1cc(-c2ccc(N)c(C)c2)ccc1N in-man O=[N+]([O-])c1cc(Cl)c(Cl)cc1F ZINC000000056754 09/75/12/344097512 FXOCDIKCKFOUDE-UHFFFAOYSA-N 0 209.991 BG 3.041 0 Bother ref BGBARN O=[N+]([O-])c1cc(Cl)c(Cl)cc1F CCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000000056841 25/72/79/168257279 LWOTXBQKJLOAOZ-UHFFFAOYSA-N 0 214.264 BG 3.441 0 Anodyne ref BGAARN CCC(=O)c1ccc2cc(OC)ccc2c1 C=C(C)C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000000056996 89/02/86/355890286 DABQKEQFLJIRHU-WDEREUQCSA-N 0 210.317 BG 3.321 0 Mild ref BGEARN C=C(C)C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 C=C(C)C(=O)O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000000056998 59/50/07/386595007 DABQKEQFLJIRHU-QWRGUYRKSA-N 0 210.317 BG 3.321 0 Mild ref BGEARN C=C(C)C(=O)O[C@H]1C[C@H](C)CC(C)(C)C1 C=C(C)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000000056999 59/57/93/386595793 DABQKEQFLJIRHU-MNOVXSKESA-N 0 210.317 BG 3.321 0 Mild ref BGEARN C=C(C)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 CC(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000057029 82/22/61/383822261 HCNHNBLSNVSJTJ-UHFFFAOYSA-N 0 214.264 BG 3.25 0 Anodyne ref BGAARN CC(c1ccc(O)cc1)c1ccc(O)cc1 in-vitro CC(C)(c1ccc(O)cc1)c1cccc(O)c1 ZINC000000057035 67/18/79/342671879 ZFXDUWYVZMVVQT-UHFFFAOYSA-N 0 228.291 BG 3.424 0 Anodyne ref BGAARN CC(C)(c1ccc(O)cc1)c1cccc(O)c1 CN(Cc1ccccc1N)C1CCCCC1 ZINC000000057065 82/07/77/383820777 MTVBBLNLYSYKCQ-UHFFFAOYSA-N 1 218.344 BG 3.033 1 Anodyne mid BGAAMO C[N@@H+](Cc1ccccc1N)C1CCCCC1 in-vitro CN(Cc1ccccc1N)C1CCCCC1 ZINC000000057065 82/07/69/383820769 MTVBBLNLYSYKCQ-UHFFFAOYSA-N 1 218.344 BG 3.033 0 Anodyne ref BGAARO C[N@H+](Cc1ccccc1N)C1CCCCC1 in-vitro Cc1cc(N)ccc1-c1ccc(N)cc1C ZINC000000057105 24/45/20/187244520 QYIMZXITLDTULQ-UHFFFAOYSA-N 0 212.296 BG 3.135 0 Anodyne ref BGAARN Cc1cc(N)ccc1-c1ccc(N)cc1C Cc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1 ZINC000000057519 82/10/85/383821085 FSKFPVLPFLJRQB-AWEZNQCLSA-N 0 245.366 BG 3.3 3 Anodyne high BGAAHN Cc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1 world Cc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1 ZINC000000057519 82/10/80/383821080 FSKFPVLPFLJRQB-AWEZNQCLSA-N 1 245.366 BG 3.3 0 Anodyne ref BGAARO Cc1ccc(C(=O)[C@@H](C)C[NH+]2CCCCC2)cc1 world Cc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1 ZINC000000057520 82/13/08/383821308 FSKFPVLPFLJRQB-CQSZACIVSA-N 0 245.366 BG 3.3 3 Anodyne high BGAAHN Cc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1 world Cc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1 ZINC000000057520 82/13/01/383821301 FSKFPVLPFLJRQB-CQSZACIVSA-N 1 245.366 BG 3.3 0 Anodyne ref BGAARO Cc1ccc(C(=O)[C@H](C)C[NH+]2CCCCC2)cc1 world O=c1cc(-c2ccccc2)oc2ccccc12 ZINC000000057674 99/17/22/182991722 VHBFFQKBGNRLFZ-UHFFFAOYSA-N 0 222.243 BG 3.46 0 Anodyne ref BGAARN O=c1cc(-c2ccccc2)oc2ccccc12 world metabolite Cc1c(OCC(F)(F)F)ccnc1CCl ZINC000000058231 17/71/86/560177186 AENYCMZUDXQARW-UHFFFAOYSA-N 1 239.624 BG 3.07 2 Reactive low BGGALO Cc1c(OCC(F)(F)F)cc[nH+]c1CCl in-vitro Cc1c(OCC(F)(F)F)ccnc1CCl ZINC000000058231 17/71/85/560177185 AENYCMZUDXQARW-UHFFFAOYSA-N 0 239.624 BG 3.07 0 Reactive ref BGGARN Cc1c(OCC(F)(F)F)ccnc1CCl in-vitro O=[N+]([O-])/C=C/c1ccc(Cl)cc1Cl ZINC000000060160 91/90/51/182919051 LIWIJBBAMBDXME-ONEGZZNKSA-N 0 218.039 BG 3.241 0 Anodyne ref BGAARN O=[N+]([O-])/C=C/c1ccc(Cl)cc1Cl O=C(/C=C/c1ccccc1)Nc1ccccc1 ZINC000000060228 84/03/01/181840301 FIIZQHKGJMRJIL-VAWYXSNFSA-N 0 223.275 BG 3.339 0 Anodyne ref BGAARN O=C(/C=C/c1ccccc1)Nc1ccccc1 O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000000063322 12/86/74/344128674 XFOHWECQTFIEIX-UHFFFAOYSA-N 0 211.22 BG 3.166 0 Bother ref BGBARN O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2 in-vitro CCC(=O)c1ccc(Br)cc1 ZINC000000065216 25/49/61/168254961 UOMOSYFPKGQIKI-UHFFFAOYSA-N 0 213.074 BG 3.042 0 Anodyne ref BGAARN CCC(=O)c1ccc(Br)cc1 CCCC(=O)c1ccc(Br)cc1 ZINC000000065218 67/24/78/342672478 HOIDKJFWEVIJAT-UHFFFAOYSA-N 0 227.101 BG 3.432 0 Anodyne ref BGAARN CCCC(=O)c1ccc(Br)cc1 O=C(Nc1ccccc1)NC1CCCCC1 ZINC000000065313 37/55/92/182375592 WPLYTRWMCWBZEN-UHFFFAOYSA-N 0 218.3 BG 3.141 0 Anodyne ref BGAARN O=C(Nc1ccccc1)NC1CCCCC1 in-vivo COC(=O)c1sc2ccccc2c1Cl ZINC000000066852 67/24/13/342672413 VAPMGETZRJYSLW-UHFFFAOYSA-N 0 226.684 BG 3.341 0 Anodyne ref BGAARN COC(=O)c1sc2ccccc2c1Cl C[C@H]1CCc2c(sc3ncnc(Cl)c23)C1 ZINC000000071325 20/96/47/177209647 ZSDWARZBRRSRLT-LURJTMIESA-N 0 238.743 BG 3.47 0 Anodyne ref BGAARN C[C@H]1CCc2c(sc3ncnc(Cl)c23)C1 C[C@@H]1CCc2c(sc3ncnc(Cl)c23)C1 ZINC000000071328 23/90/89/176239089 ZSDWARZBRRSRLT-ZCFIWIBFSA-N 0 238.743 BG 3.47 0 Anodyne ref BGAARN C[C@@H]1CCc2c(sc3ncnc(Cl)c23)C1 Cc1onc(-c2c(F)cccc2Cl)c1C#N ZINC000000075571 35/57/22/369355722 ODJAAPYNVRPGAG-UHFFFAOYSA-N 0 236.633 BG 3.314 0 Mild ref BGEARN Cc1onc(-c2c(F)cccc2Cl)c1C#N N#Cc1ccc(OCc2ccccc2)cc1 ZINC000000076272 12/82/51/181128251 UDAOJHAASAWVIQ-UHFFFAOYSA-N 0 209.248 BG 3.137 0 Mild ref BGEARN N#Cc1ccc(OCc2ccccc2)cc1 O=C(O)C1c2ccccc2Oc2ccccc21 ZINC000000078659 82/33/55/383823355 VSBFNCXKYIEYIS-UHFFFAOYSA-N -1 226.231 BG 3.009 0 Anodyne ref BGAARM O=C([O-])C1c2ccccc2Oc2ccccc21 in-vitro biogenic COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000078671 67/31/53/342673153 RFHABUQANXJNQS-UHFFFAOYSA-N 0 240.258 BG 3.097 0 Anodyne ref BGAARN COC(=O)C1c2ccccc2Oc2ccccc21 O=C1O/C(=C\c2ccccc2)c2ccccc21 ZINC000000080737 82/51/88/383825188 YRTPZXMEBGTPLM-UVTDQMKNSA-N 0 222.243 BG 3.355 0 Anodyne ref BGAARN O=C1O/C(=C\c2ccccc2)c2ccccc21 Brc1ccc2[nH]c3c(c2c1)CCC3 ZINC000000081142 09/94/91/166099491 XKDWSCYYHKJAGK-UHFFFAOYSA-N 0 236.112 BG 3.419 0 Anodyne ref BGAARN Brc1ccc2[nH]c3c(c2c1)CCC3 CC(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000000082389 49/17/04/166491704 SQEIPHPPOCNRNK-UHFFFAOYSA-N 0 235.283 BG 3.339 0 Anodyne ref BGABRN CC(=O)c1sc(-c2ccc(F)cc2)cc1N N#Cc1sc(-c2ccc(F)cc2)cc1N ZINC000000082774 17/72/49/181177249 TYZQYMLLLAZYPN-UHFFFAOYSA-N 0 218.256 BG 3.008 0 Mild ref BGEARN N#Cc1sc(-c2ccc(F)cc2)cc1N O=C(O)CSCc1cccc2ccccc12 ZINC000000083473 47/18/31/182471831 ILWCKTCKRREVNT-UHFFFAOYSA-N -1 232.304 BG 3.158 0 Anodyne ref BGAARM O=C([O-])CSCc1cccc2ccccc12 in-vitro CCOC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000000083761 29/47/58/170294758 FIQJDBIRRVQTJN-UHFFFAOYSA-N 0 243.306 BG 3.271 0 Clean ref BGCARN CCOC(=O)c1ccc(-n2c(C)ccc2C)cc1 Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1 ZINC000000086537 67/36/08/342673608 POTDIELOEHTPJN-UHFFFAOYSA-N 0 240.328 BG 3.121 0 Anodyne ref BGAARN Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1 c1ccc(-c2cn3ccsc3n2)cc1 ZINC000000087852 38/10/11/183381011 DYYKAVHVTLJEOH-UHFFFAOYSA-N 0 200.266 BG 3.063 0 Anodyne ref BGAARN c1ccc(-c2cn3ccsc3n2)cc1 Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000000092643 67/40/56/342674056 ZZDBATBJNFVJCB-UHFFFAOYSA-N 0 244.241 BG 3.411 0 Anodyne ref BGAARN Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 N#CCc1cccc(OCc2ccccc2)c1 ZINC000000092902 27/26/79/188272679 CKZFVIPFANUBDW-UHFFFAOYSA-N 0 223.275 BG 3.332 0 Mild ref BGEARN N#CCc1cccc(OCc2ccccc2)c1 in-vitro Cc1ccc2nc(Cl)c(C#N)cc2c1 ZINC000000093680 97/78/08/178977808 SJNJYVWUJJNMSD-UHFFFAOYSA-N 0 202.644 BG 3.068 0 Mild ref BGEARN Cc1ccc2nc(Cl)c(C#N)cc2c1 Cc1nccc(-c2ccc(Br)cc2)n1 ZINC000000096534 18/02/43/180180243 ONNFCICFTHMQHX-UHFFFAOYSA-N 0 249.111 BG 3.215 0 Anodyne ref BGAARN Cc1nccc(-c2ccc(Br)cc2)n1 O=[N+]([O-])/C=C/c1c(Cl)cccc1Cl ZINC000000096681 67/41/06/342674106 VXNHQIKJDIOBEC-SNAWJCMRSA-N 0 218.039 BG 3.241 0 Anodyne ref BGAARN O=[N+]([O-])/C=C/c1c(Cl)cccc1Cl O=[N+]([O-])/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000101861 67/43/93/342674393 XHGCFWXSHIHYFH-ONEGZZNKSA-N 0 218.039 BG 3.241 0 Anodyne ref BGAARN O=[N+]([O-])/C=C/c1ccc(Cl)c(Cl)c1 Cc1ccn2cc(-c3ccccc3)nc2c1 ZINC000000103719 41/38/42/179413842 ICCPXMKBWXGLLH-UHFFFAOYSA-N 0 208.264 BG 3.31 0 Anodyne ref BGAARN Cc1ccn2cc(-c3ccccc3)nc2c1 O=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000105200 67/48/23/342674823 LSQARZALBDFYQZ-UHFFFAOYSA-N 0 218.202 BG 3.196 0 Anodyne ref BGAARN O=C(c1ccc(F)cc1)c1ccc(F)cc1 O=C(c1ccccc1)c1ccc(F)cc1 ZINC000000105242 67/47/78/342674778 OGTSHGYHILFRHD-UHFFFAOYSA-N 0 200.212 BG 3.057 0 Anodyne ref BGAARN O=C(c1ccccc1)c1ccc(F)cc1 Cc1ccc(-c2nc3sccn3c2C=O)cc1 ZINC000000105285 33/86/07/178338607 NUEBUPJVOGWDTQ-UHFFFAOYSA-N 0 242.303 BG 3.184 0 Anodyne ref BGAARN Cc1ccc(-c2nc3sccn3c2C=O)cc1 CC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000000108826 24/40/73/187244073 QRMZQPODCUCPQD-UHFFFAOYSA-N 0 237.608 BG 3.317 0 Anodyne ref BGAARN CC(=O)Nc1ccc(C(F)(F)F)cc1Cl N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1 ZINC000000108948 07/85/07/181078507 RDQSOEAGWZLHBE-UHFFFAOYSA-N 0 240.218 BG 3.253 0 Mild ref BGEARN N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1 FC(F)(F)c1ccc(-n2cccc2)cc1 ZINC000000112313 82/79/68/383827968 JFGOCJGHXODFKU-UHFFFAOYSA-N 0 211.186 BG 3.496 0 Anodyne ref BGAARN FC(F)(F)c1ccc(-n2cccc2)cc1 CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1 ZINC000000113398 82/73/87/383827387 HEFNNWSXXWATRW-SNVBAGLBSA-N -1 206.285 BG 3.073 0 Anodyne ref BGAARM CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1 fda c1ccc2c(c1)CCc1c-2n[nH]c1-c1ccncc1 ZINC000000119939 83/13/94/383831394 NNOXRNQSZZKVKE-UHFFFAOYSA-N 0 247.301 BG 3.237 1 Anodyne mid BGAAMN c1ccc2c(c1)CCc1c(-c3ccncc3)n[nH]c1-2 c1ccc2c(c1)CCc1c-2n[nH]c1-c1ccncc1 ZINC000000119939 83/13/77/383831377 NNOXRNQSZZKVKE-UHFFFAOYSA-N 0 247.301 BG 3.237 0 Anodyne ref BGAARN c1ccc2c(c1)CCc1c-2n[nH]c1-c1ccncc1 Cc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000000122186 67/53/90/342675390 WBNZUUIFTPNYRN-UHFFFAOYSA-N 0 206.028 BG 3.21 0 Bother ref BGBARN Cc1c(Cl)ccc([N+](=O)[O-])c1Cl CC(=O)c1csc(-c2ccccc2)n1 ZINC000000122487 58/28/79/187582879 ZOOGZFPRAKXWKI-UHFFFAOYSA-N 0 203.266 BG 3.013 0 Anodyne ref BGAARN CC(=O)c1csc(-c2ccccc2)n1 Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000000122891 67/57/49/342675749 RHAQPESVLRVQJU-UHFFFAOYSA-N 0 237.258 BG 3.042 0 Anodyne ref BGAARN Nc1cccc(-c2cc3ccccc3oc2=O)c1 COC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000128881 67/59/65/342675965 FRSRGACXHCLBTC-UHFFFAOYSA-N 0 220.055 BG 3.172 0 Anodyne ref BGAARN COC(=O)Nc1cc(Cl)cc(Cl)c1 Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000000128936 08/00/68/180080068 WMOBNOCVMZFPEN-UHFFFAOYSA-N 1 201.056 BG 3.178 2 Anodyne low BGAALO Cc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 in-vitro Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000000128936 08/00/65/180080065 WMOBNOCVMZFPEN-UHFFFAOYSA-N 0 201.056 BG 3.178 0 Anodyne ref BGAARN Cc1nc2cc(Cl)c(Cl)cc2[nH]1 in-vitro CC(=O)Nc1c(C)cc(Cl)cc1Cl ZINC000000128977 24/41/81/187244181 RLYJHSPRTRAQFE-UHFFFAOYSA-N 0 218.083 BG 3.26 0 Anodyne ref BGAARN CC(=O)Nc1c(C)cc(Cl)cc1Cl CC(=O)Nc1ccc(Br)cc1Cl ZINC000000128982 67/60/39/342676039 MITWNEIUIPGZKR-UHFFFAOYSA-N 0 248.507 BG 3.061 0 Anodyne ref BGAARN CC(=O)Nc1ccc(Br)cc1Cl Cc1ccc2c(c1)c1c3c(nccn32)CCC1 ZINC000000131451 95/90/60/178959060 ZHTWYYQXWNZIMN-UHFFFAOYSA-N 0 222.291 BG 3.285 0 Anodyne ref BGAARN Cc1ccc2c(c1)c1c3c(nccn32)CCC1 O=C(Oc1ccccc1)Oc1ccccc1 ZINC000000134817 61/05/25/182610525 ROORDVPLFPIABK-UHFFFAOYSA-N 0 214.22 BG 3.264 0 Anodyne ref BGAARN O=C(Oc1ccccc1)Oc1ccccc1 in-vitro CCC12C[C@@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 ZINC000000134944 50/73/40/168507340 ZJBLNYRNJSFPQO-ASZHBFLOSA-N -1 208.301 BG 3.068 0 Anodyne ref BGAARM CCC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2 O=C(c1ccccc1)c1cc(Cl)ccc1O ZINC000000136128 67/64/86/342676486 OMWSZDODENFLSV-UHFFFAOYSA-N 0 232.666 BG 3.277 2 Anodyne low BGAALN O=C(c1ccccc1)c1cc(Cl)ccc1O O=C(c1ccccc1)c1cc(Cl)ccc1O ZINC000000136128 67/64/84/342676484 OMWSZDODENFLSV-UHFFFAOYSA-N -1 232.666 BG 3.277 0 Anodyne ref BGAARM O=C(c1ccccc1)c1cc(Cl)ccc1[O-] CC(=O)c1cc(F)c(Cl)cc1Cl ZINC000000136315 83/30/23/383833023 FAKJFAMIABOKBW-UHFFFAOYSA-N 0 207.031 BG 3.335 0 Anodyne ref BGAARN CC(=O)c1cc(F)c(Cl)cc1Cl ON=C(Cc1ccccc1)Cc1ccccc1 ZINC000000137507 27/26/69/188272669 SXEBLVKLMOIGER-UHFFFAOYSA-N 0 225.291 BG 3.302 0 Mild ref BGEARN ON=C(Cc1ccccc1)Cc1ccccc1 CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000138585 55/90/59/344559059 OEOKNZHWNVTEMR-UHFFFAOYSA-N 0 237.202 BG 3.336 0 Bother ref BGBARN CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] CCOC(=O)c1cnc2ccccc2c1Cl ZINC000000140160 30/26/04/170302604 DWXQUAHMZWZXHP-UHFFFAOYSA-N 0 235.67 BG 3.065 0 Anodyne ref BGAARN CCOC(=O)c1cnc2ccccc2c1Cl O=C(c1ccccc1)c1c[nH]c2ccccc12 ZINC000000142359 67/70/38/342677038 ADHQLIGSIQGNBW-UHFFFAOYSA-N 0 221.259 BG 3.399 0 Anodyne ref BGAARN O=C(c1ccccc1)c1c[nH]c2ccccc12 CN(C)/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC000000142392 34/94/48/172349448 PCRNWHRXTOCARP-AATRIKPKSA-N 0 244.121 BG 3.251 0 Mild ref BGEARN CN(C)/C=C/C(=O)c1ccc(Cl)cc1Cl O=C1C(=Cc2cccs2)C(=O)c2ccccc21 ZINC000000143127 71/35/39/182713539 TWXXLVDSKBCTBT-UHFFFAOYSA-N 0 240.283 BG 3.211 0 Mild ref BGEARN O=C1C(=Cc2cccs2)C(=O)c2ccccc21 Nc1c(Cl)cc(Br)cc1Cl ZINC000000152665 67/74/14/342677414 NPQBZKNXJZARBJ-UHFFFAOYSA-N 0 240.915 BG 3.338 0 Anodyne ref BGAARN Nc1c(Cl)cc(Br)cc1Cl