Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000002105 66/93/79/342669379 GECHUMIMRBOMGK-UHFFFAOYSA-N 0 249.295 BD 1.465 2 Anodyne low BDAALN Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 world Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000002105 66/93/76/342669376 GECHUMIMRBOMGK-UHFFFAOYSA-N -1 249.295 BD 1.465 0 Anodyne ref BDAARM Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 world COc1ccc([C@H](N)CC(=O)O)cc1OC ZINC000000031179 19/11/16/175191116 FGCXSFRGPCUBPW-MRVPVSSYSA-N 0 225.244 BD 1.178 0 Anodyne ref BDAARN COc1ccc([C@H]([NH3+])CC(=O)[O-])cc1OC COc1ccc([C@@H](N)CC(=O)O)cc1OC ZINC000000031180 17/94/78/175179478 FGCXSFRGPCUBPW-QMMMGPOBSA-N 0 225.244 BD 1.178 0 Anodyne ref BDAARN COc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1OC COc1cc(C=O)c([N+](=O)[O-])cc1OC ZINC000000032320 01/65/48/344016548 YWSPWKXREVSQCA-UHFFFAOYSA-N 0 211.173 BD 1.424 0 Bother ref BDBARN COc1cc(C=O)c([N+](=O)[O-])cc1OC in-vitro O=C(O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000032336 27/25/50/188272550 QAYNSPOKTRVZRC-UHFFFAOYSA-N -1 201.565 BD 1.946 0 Bother ref BDBARM O=C([O-])c1ccc([N+](=O)[O-])cc1Cl O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000032337 67/02/58/342670258 DFXQXFGFOLXAPO-UHFFFAOYSA-N -1 201.565 BD 1.946 0 Bother ref BDBARM O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1 CCOC(=O)c1c(N)sc2c1CCC2 ZINC000000035797 28/91/33/170289133 BOJXCJDYZJSPMZ-UHFFFAOYSA-N 0 211.286 BD 1.996 0 Anodyne ref BDAARN CCOC(=O)c1c(N)sc2c1CCC2 O=C(O)c1ccc(Br)c(C(=O)O)c1 ZINC000000039104 96/89/21/190968921 MSQIEZXCNYUWHN-UHFFFAOYSA-N -2 245.028 BD 1.846 0 Anodyne ref BDAARL O=C([O-])c1ccc(Br)c(C(=O)[O-])c1 Nc1nnc(CCc2ccccc2)s1 ZINC000000040104 81/38/64/181813864 HSTFNSVDVOLQQH-UHFFFAOYSA-N 0 205.286 BD 1.905 0 Anodyne ref BDAARN Nc1nnc(CCc2ccccc2)s1 O=C(O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000000040480 67/10/44/342671044 JXNDLFWQCQNSRP-MRVPVSSYSA-N -1 211.261 BD 1.252 0 Anodyne ref BDAARM O=C([O-])[C@@H]1CC(=O)N(C2CCCCC2)C1 CCOC(=O)c1sc(SC)nc1N ZINC000000043484 31/07/02/170310702 WAFDSQXKSGGKCD-UHFFFAOYSA-N 0 218.303 BD 1.624 0 Anodyne ref BDAARN CCOC(=O)c1sc(SC)nc1N CCOc1ccc(C(=O)O)cc1[N+](=O)[O-] ZINC000000043837 06/03/17/344060317 GZHXYRWGRKIXEJ-UHFFFAOYSA-N -1 211.173 BD 1.692 0 Bother ref BDBARM CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] COC(=O)c1coc(=O)c(Br)c1 ZINC000000045768 91/07/75/173910775 CGWCMWNFFICVFC-UHFFFAOYSA-N 0 233.017 BD 1.189 0 Anodyne ref BDAARN COC(=O)c1coc(=O)c(Br)c1 CC(=O)Nc1ccc(C(=O)O)cc1Cl ZINC000000045786 24/42/39/187244239 ZFQGFRPIFLLJKF-UHFFFAOYSA-N -1 213.62 BD 1.997 0 Anodyne ref BDAARM CC(=O)Nc1ccc(C(=O)[O-])cc1Cl CC(=O)Nc1ccc(C(=O)O)c(Cl)c1 ZINC000000045787 09/91/66/188099166 TZXJLFBEXYSTJG-UHFFFAOYSA-N -1 213.62 BD 1.997 0 Anodyne ref BDAARM CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000045801 69/98/51/181699851 FQEGZNLIOFLYNI-UHFFFAOYSA-N 0 204.273 BD 1.895 0 Anodyne ref BDAARN Nc1ccc(C(=O)N2CCCCC2)cc1 CC(C)N1CCc2c(sc(N)c2C#N)C1 ZINC000000049943 02/87/83/167028783 GRVDEWDYQKUPSB-UHFFFAOYSA-N 0 221.329 BD 1.968 3 Mild high BDEAHN CC(C)N1CCc2c(sc(N)c2C#N)C1 aggregator CC(C)N1CCc2c(sc(N)c2C#N)C1 ZINC000000049943 02/87/80/167028780 GRVDEWDYQKUPSB-UHFFFAOYSA-N 1 221.329 BD 1.968 1 Mild mid BDEAMO CC(C)[N@H+]1CCc2c(sc(N)c2C#N)C1 aggregator CC(C)N1CCc2c(sc(N)c2C#N)C1 ZINC000000049943 02/87/73/167028773 GRVDEWDYQKUPSB-UHFFFAOYSA-N 1 221.329 BD 1.968 0 Mild ref BDEARO CC(C)[N@@H+]1CCc2c(sc(N)c2C#N)C1 aggregator COc1cc(Oc2ccccc2)nc(N)n1 ZINC000000051728 01/31/89/175013189 IIOJVHHQYGRCRP-UHFFFAOYSA-N 0 217.228 BD 1.86 0 Anodyne ref BDAARN COc1cc(Oc2ccccc2)nc(N)n1 Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000000052712 44/54/85/384445485 IVPDFKYKTMICSK-UHFFFAOYSA-N 0 236.256 BD 1.619 0 Bother ref BDBARN Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 COc1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000000053883 27/24/29/188272429 CCFLBHDPAUAJMZ-VOTSOKGWSA-N -1 221.212 BD 1.274 0 Anodyne ref BDAARM COc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 O=C(O)/C=C/C(=O)Nc1ccc(F)cc1 ZINC000000053889 67/16/46/342671646 NRDZVHHPNZDWRA-AATRIKPKSA-N -1 209.176 BD 1.405 0 Anodyne ref BDAARM O=C([O-])/C=C/C(=O)Nc1ccc(F)cc1 COc1cc(Br)cc(C=O)c1O ZINC000000056914 27/21/35/188272135 MMFKBTPDEVLIOR-UHFFFAOYSA-N -1 231.045 BD 1.976 3 Anodyne high BDAAHM COc1cc(Br)cc(C=O)c1[O-] COc1cc(Br)cc(C=O)c1O ZINC000000056914 27/21/32/188272132 MMFKBTPDEVLIOR-UHFFFAOYSA-N -1 231.045 BD 1.976 0 Anodyne ref BDAARM COc1cc(Br)cc(C=O)c1O CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000000056981 42/49/71/173424971 CZCIKBSVHDNIDH-NSHDSACASA-N 0 218.256 BD 1.383 0 Anodyne ref BDAARN C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-vitro biogenic CN[C@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000000056982 82/23/45/383822345 CZCIKBSVHDNIDH-LLVKDONJSA-N 0 218.256 BD 1.383 0 Anodyne ref BDAARN C[NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] in-vitro O=Cc1cc(Br)cc([N+](=O)[O-])c1O ZINC000000056983 44/62/83/384446283 YEYPSUQQZNDKDE-UHFFFAOYSA-N -1 246.016 BD 1.875 0 Bother ref BDBARM O=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000057165 82/13/75/383821375 KACHFMOHOPLTNX-UHFFFAOYSA-N 0 226.228 BD 1.499 0 Anodyne ref BDAARN COC(=O)c1cc(OC)c(OC)c(OC)c1 in-vitro biogenic CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)O ZINC000000057230 82/07/83/383820783 FJWNZTPXVSWUKF-LURJTMIESA-N -1 233.289 BD 1.381 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)[O-] Cc1ccc(-c2n[nH]c(=S)n2N)cc1 ZINC000000058202 33/13/27/178331327 MXONMXJEHNDQPJ-UHFFFAOYSA-N -1 206.274 BD 1.63 1 Anodyne mid BDAAMM Cc1ccc(-c2n[n-]c(=S)n2N)cc1 Cc1ccc(-c2n[nH]c(=S)n2N)cc1 ZINC000000058202 33/13/25/178331325 MXONMXJEHNDQPJ-UHFFFAOYSA-N 0 206.274 BD 1.63 0 Anodyne ref BDAARN Cc1ccc(-c2n[nH]c(=S)n2N)cc1 O=C(O)C[C@@H]1Sc2ccccc2NC1=O ZINC000000058250 82/20/96/383822096 QWXLTZQRYJBZQT-QMMMGPOBSA-N -1 223.253 BD 1.574 0 Anodyne ref BDAARM O=C([O-])C[C@@H]1Sc2ccccc2NC1=O O=C(O)CSc1nc2ccccc2[nH]1 ZINC000000060423 82/14/36/383821436 UYNVBLJQBCTRKV-UHFFFAOYSA-N -1 208.242 BD 1.74 0 Anodyne ref BDAARM O=C([O-])CSc1nc2ccccc2[nH]1 in-vitro CC(=O)N1CCc2ccccc2[C@H]1CC(=O)O ZINC000000064904 92/35/70/187923570 QZBDYCNMWXWQNV-GFCCVEGCSA-N -1 233.267 BD 1.607 0 Anodyne ref BDAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)O ZINC000000064906 40/74/37/187407437 QZBDYCNMWXWQNV-LBPRGKRZSA-N -1 233.267 BD 1.607 0 Anodyne ref BDAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] O=c1c2ccccc2nnn1CN1CCCCC1 ZINC000000067676 67/24/84/342672484 WHQRLZXVZVPNKX-UHFFFAOYSA-N 0 244.298 BD 1.235 0 Anodyne ref BDAARN O=c1c2ccccc2nnn1CN1CCCCC1 COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC ZINC000000071267 94/14/95/174941495 PEPYBEJQAIGLRE-SNAWJCMRSA-N 0 239.227 BD 1.96 0 Bother ref BDBARN COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC CS(=O)(=O)c1ccc(Br)cc1 ZINC000000075328 82/34/89/383823489 FJLFSYRGFJDJMQ-UHFFFAOYSA-N 0 235.102 BD 1.853 0 Anodyne ref BDAARN CS(=O)(=O)c1ccc(Br)cc1 Cc1cc(C(=O)O)nn1-c1ccccc1 ZINC000000075561 67/30/78/342673078 JAUNWUAOFPNAKK-UHFFFAOYSA-N -1 202.213 BD 1.879 0 Anodyne ref BDAARM Cc1cc(C(=O)[O-])nn1-c1ccccc1 CCOC(=O)c1sc(N)c(C#N)c1C ZINC000000075910 31/08/93/170310893 NCCMCRFYSZRBBG-UHFFFAOYSA-N 0 210.258 BD 1.687 0 Mild ref BDEARN CCOC(=O)c1sc(N)c(C#N)c1C O=Cc1cc2c(cc1Br)OCO2 ZINC000000078233 82/37/21/383823721 CSQUXTSIDQURDV-UHFFFAOYSA-N 0 229.029 BD 1.99 0 Anodyne ref BDAARN O=Cc1cc2c(cc1Br)OCO2 CC(=O)N/C(=C/c1ccccc1)C(=O)O ZINC000000078599 61/54/68/384615468 XODAOBAZOQSFDS-JXMROGBWSA-N -1 205.213 BD 1.248 0 Anodyne ref BDAARM CC(=O)N/C(=C/c1ccccc1)C(=O)[O-] O=C(O)CCCN1C(=O)c2ccccc2C1=O ZINC000000080458 82/46/85/383824685 HMKSXJBFBVGLJJ-UHFFFAOYSA-N -1 233.223 BD 1.147 0 Anodyne ref BDAARM O=C([O-])CCCN1C(=O)c2ccccc2C1=O CCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000081223 23/64/77/170236477 CJHXMQCYEILGFT-UHFFFAOYSA-N 0 209.201 BD 1.7 0 Bother ref BDBARN CCOC(=O)Cc1ccccc1[N+](=O)[O-] CCN(CC)CCn1c(N)nc2ccccc21 ZINC000000081439 67/34/85/342673485 LNQFKLQTSNFJIH-UHFFFAOYSA-N 1 232.331 BD 1.96 1 Anodyne mid BDAAMO CC[NH+](CC)CCn1c(N)nc2ccccc21 CCN(CC)CCn1c(N)nc2ccccc21 ZINC000000081439 67/34/83/342673483 LNQFKLQTSNFJIH-UHFFFAOYSA-N 2 232.331 BD 1.96 0 Anodyne ref BDAARP CC[NH+](CC)CCn1c(N)[nH+]c2ccccc21 CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000083187 23/57/24/170235724 DWDRNKYLWMKWTH-UHFFFAOYSA-N 0 209.201 BD 1.7 0 Bother ref BDBARN CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 in-vitro O=C(O)COc1cccc(Br)c1 ZINC000000084162 82/50/32/383825032 CRKQPDCSWOJBJY-UHFFFAOYSA-N -1 231.045 BD 1.913 0 Anodyne ref BDAARM O=C([O-])COc1cccc(Br)c1 Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C#N ZINC000000087703 01/19/81/346011981 CFPPPMIHTUGGAG-UHFFFAOYSA-N 0 226.235 BD 1.928 1 Mild mid BDEAMN Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C#N Cc1[nH]c(=O)c(-c2ccccc2)c(O)c1C#N ZINC000000087703 01/19/74/346011974 CFPPPMIHTUGGAG-UHFFFAOYSA-N -1 226.235 BD 1.928 0 Mild ref BDEARM Cc1[n-]c(=O)c(-c2ccccc2)c(O)c1C#N Cc1cc(=O)oc2c1c(=O)[nH]c1ccccc12 ZINC000000088281 67/37/65/342673765 FEXCPFKJRNXTEB-UHFFFAOYSA-N 0 227.219 BD 1.943 0 Bother ref BDBARN Cc1cc(=O)oc2c1c(=O)[nH]c1ccccc12 CCC(=O)Oc1cc(C=O)ccc1OC ZINC000000088488 25/15/81/168251581 LXEWLRMKRNCHTI-UHFFFAOYSA-N 0 208.213 BD 1.823 0 Anodyne ref BDAARN CCC(=O)Oc1cc(C=O)ccc1OC O=C(O)Cn1c(=O)sc2ccccc21 ZINC000000088574 82/40/15/383824015 SXOCCTHWTPGZHT-UHFFFAOYSA-N -1 209.226 BD 1.148 0 Anodyne ref BDAARM O=C([O-])Cn1c(=O)sc2ccccc21 O=C(O)c1ccccc1I ZINC000000090931 67/40/90/342674090 CJNZAXGUTKBIHP-UHFFFAOYSA-N -1 248.019 BD 1.989 0 Anodyne ref BDAARM O=C([O-])c1ccccc1I in-vitro CC(=O)Nc1ccc(OCC(=O)O)cc1 ZINC000000093096 24/39/47/187243947 LYJCGBYEVXKOST-UHFFFAOYSA-N -1 209.201 BD 1.108 0 Anodyne ref BDAARM CC(=O)Nc1ccc(OCC(=O)[O-])cc1 O=C1C=CC(=O)N1c1cccc(Cl)c1 ZINC000000096691 67/40/61/342674061 QDEQBRUNBFJJPW-UHFFFAOYSA-N 0 207.616 BD 1.769 0 Anodyne ref BDAARN O=C1C=CC(=O)N1c1cccc(Cl)c1 Nc1nnc(-c2ccc(C(=O)O)cc2)s1 ZINC000000106364 81/26/16/181812616 LQHNMNCRCCSJQW-UHFFFAOYSA-N -1 221.241 BD 1.486 0 Anodyne ref BDAARM Nc1nnc(-c2ccc(C(=O)[O-])cc2)s1 in-vitro CC(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)O ZINC000000108514 27/21/53/188272153 SWUMDDFBFZVMFJ-UXBLZVDNSA-N -1 239.658 BD 1.902 0 Anodyne ref BDAARM CC(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-] Cc1ccc(Nc2nccc(=O)[nH]2)cc1 ZINC000000113440 67/49/65/342674965 PBCQJLYNCKXHAX-UHFFFAOYSA-N -1 201.229 BD 1.822 1 Anodyne mid BDAAMM Cc1ccc(Nc2nccc(=O)[n-]2)cc1 Cc1ccc(Nc2nccc(=O)[nH]2)cc1 ZINC000000113440 67/49/64/342674964 PBCQJLYNCKXHAX-UHFFFAOYSA-N 0 201.229 BD 1.822 0 Anodyne ref BDAARN Cc1ccc(Nc2nccc(=O)[nH]2)cc1 NC(=O)CSc1nc2ccccc2[nH]1 ZINC000000114225 24/04/67/181240467 PMNMEONYAKHOAF-UHFFFAOYSA-N 0 207.258 BD 1.14 0 Anodyne ref BDAARN NC(=O)CSc1nc2ccccc2[nH]1 COc1ccc(/C=C/C(=O)O)cc1OC ZINC000000116202 04/75/59/175047559 HJBWJAPEBGSQPR-GQCTYLIASA-N -1 208.213 BD 1.802 0 Anodyne ref BDAARM COc1ccc(/C=C/C(=O)[O-])cc1OC in-man endogenous CCOC(=O)c1cc(=O)c2ccccc2o1 ZINC000000116220 29/06/52/170290652 CJVFJZNWXDFXHF-UHFFFAOYSA-N 0 218.208 BD 1.97 0 Anodyne ref BDAARN CCOC(=O)c1cc(=O)c2ccccc2o1 Cc1ccc(S(=O)(=O)n2ccnc2)cc1 ZINC000000120110 82/91/76/383829176 YJYMYJRAQYREBT-UHFFFAOYSA-N 0 222.269 BD 1.429 0 Anodyne ref BDAARN Cc1ccc(S(=O)(=O)n2ccnc2)cc1 Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000000122384 31/27/66/132312766 BBUAXVLPFRRBQR-UHFFFAOYSA-N 0 212.68 BD 1.759 0 Anodyne ref BDAARN Nc1ccc(N2CCOCC2)c(Cl)c1 COc1ccc(NC(C)=O)c(C(=O)O)c1 ZINC000000134025 14/86/77/175148677 PNPVAHPGYGAYIP-UHFFFAOYSA-N -1 209.201 BD 1.352 0 Anodyne ref BDAARM COc1ccc(NC(C)=O)c(C(=O)[O-])c1 Cc1nonc1NS(=O)(=O)c1ccccc1 ZINC000000134635 56/12/75/344561275 FVFOTNBFDFNFLF-UHFFFAOYSA-N -1 239.256 BD 1.179 0 Anodyne ref BDAARM Cc1nonc1[N-]S(=O)(=O)c1ccccc1 CS(=O)(=O)c1cc2ccccc2oc1=O ZINC000000148954 83/31/85/383833185 JFFGMXVRZVMCDN-UHFFFAOYSA-N 0 224.237 BD 1.197 0 Anodyne ref BDAARN CS(=O)(=O)c1cc2ccccc2oc1=O O=C(O)c1cccnc1Br ZINC000000151254 67/74/76/342677476 MMWNKXIFVYQOTK-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1cccnc1Br O=C(O)c1cc(Br)ccn1 ZINC000000151256 55/39/04/182553904 RPHHYRNGCJYQSP-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1cc(Br)ccn1 in-vitro O=Cc1cc(Br)ccc1O ZINC000000151784 83/37/91/383833791 MKKSTJKBKNCMRV-UHFFFAOYSA-N -1 201.019 BD 1.967 1 Anodyne mid BDAAMM O=Cc1cc(Br)ccc1[O-] in-vitro O=Cc1cc(Br)ccc1O ZINC000000151784 83/37/89/383833789 MKKSTJKBKNCMRV-UHFFFAOYSA-N 0 201.019 BD 1.967 0 Anodyne ref BDAARN O=Cc1cc(Br)ccc1O in-vitro Nc1ccc(Br)cc1C(=O)O ZINC000000152502 67/74/29/342677429 CUKXRHLWPSBCTI-UHFFFAOYSA-N -1 216.034 BD 1.73 0 Anodyne ref BDAARM Nc1ccc(Br)cc1C(=O)[O-] in-vitro O=Cc1cc([N+](=O)[O-])cc(Br)c1O ZINC000000152714 83/28/70/383832870 BESBCGANGAEHPM-UHFFFAOYSA-N -1 246.016 BD 1.875 0 Bother ref BDBARM O=Cc1cc([N+](=O)[O-])cc(Br)c1[O-] COc1cc(Br)c(O)c(C=O)c1 ZINC000000153448 83/57/85/383835785 BSLKYCQDKAAGGV-UHFFFAOYSA-N -1 231.045 BD 1.976 1 Anodyne mid BDAAMM COc1cc(Br)c([O-])c(C=O)c1 COc1cc(Br)c(O)c(C=O)c1 ZINC000000153448 83/57/75/383835775 BSLKYCQDKAAGGV-UHFFFAOYSA-N 0 231.045 BD 1.976 0 Anodyne ref BDAARN COc1cc(Br)c(O)c(C=O)c1 COC(=O)c1cc(Br)ccc1O ZINC000000153741 83/55/61/383835561 FJYDBKPPGRZSOZ-UHFFFAOYSA-N 0 231.045 BD 1.941 0 Anodyne ref BDAARN COC(=O)c1cc(Br)ccc1O O=C(O)c1cc(Br)ccc1O ZINC000000154623 67/77/85/342677785 IEJOONSLOGAXNO-UHFFFAOYSA-N -1 217.018 BD 1.853 0 Anodyne ref BDAARM O=C([O-])c1cc(Br)ccc1O COc1ccc(C(=O)O)c(OC)c1OC ZINC000000156455 06/47/18/175064718 HZNQSWJZTWOTKM-UHFFFAOYSA-N -1 212.201 BD 1.411 0 Anodyne ref BDAARM COc1ccc(C(=O)[O-])c(OC)c1OC O=C(O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000156878 56/90/17/344569017 QUEKGYQTRJVEQC-UHFFFAOYSA-N -1 201.565 BD 1.946 0 Bother ref BDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Cl Cc1noc(C)c1I ZINC000000157342 83/68/35/383836835 NMNOXVWRJISEFE-UHFFFAOYSA-N 0 223.013 BD 1.896 0 Anodyne ref BDAARN Cc1noc(C)c1I Cc1n[nH]c(C)c1I ZINC000000157367 82/62/42/179826242 MZZXIXHKDJNBJQ-UHFFFAOYSA-N 0 222.029 BD 1.631 0 Anodyne ref BDAARN Cc1n[nH]c(C)c1I O=Cc1cccn1S(=O)(=O)c1ccccc1 ZINC000000158254 87/38/39/182873839 XZMIDORMXBMWTQ-UHFFFAOYSA-N 0 235.264 BD 1.538 0 Anodyne ref BDAARN O=Cc1cccn1S(=O)(=O)c1ccccc1 Cc1nc2ccc(C(=O)O)cc2nc1C ZINC000000159055 08/90/98/180089098 RCACNAWRFYUKLC-UHFFFAOYSA-N -1 202.213 BD 1.945 0 Anodyne ref BDAARM Cc1nc2ccc(C(=O)[O-])cc2nc1C Cc1ccc(O)c(I)n1 ZINC000000160332 09/90/67/188099067 HRZOWBGCOJWHDY-UHFFFAOYSA-N -1 235.024 BD 1.7 3 Anodyne high BDAAHM Cc1ccc([O-])c(I)n1 Cc1ccc(O)c(I)n1 ZINC000000160332 09/90/65/188099065 HRZOWBGCOJWHDY-UHFFFAOYSA-N 0 235.024 BD 1.7 0 Anodyne ref BDAARN Cc1ccc(O)c(I)n1 Oc1cccnc1I ZINC000000160343 27/25/73/188272573 HJBGMPCMSWJZNH-UHFFFAOYSA-N -1 220.997 BD 1.392 1 Anodyne mid BDAAMM [O-]c1cccnc1I Oc1cccnc1I ZINC000000160343 27/25/70/188272570 HJBGMPCMSWJZNH-UHFFFAOYSA-N -1 220.997 BD 1.392 0 Anodyne ref BDAARM Oc1cccnc1I Ic1ccncc1 ZINC000000161788 92/49/30/187924930 RTLUPHDWSUGAOS-UHFFFAOYSA-N 0 204.998 BD 1.686 0 Anodyne ref BDAARN Ic1ccncc1 CC(C)(C)C(=O)Nc1ncccc1C=O ZINC000000161843 67/83/68/342678368 ANABHCSYKASRRW-UHFFFAOYSA-N 0 206.245 BD 1.879 0 Anodyne ref BDAARN CC(C)(C)C(=O)Nc1ncccc1C=O CCOC(=O)c1cn2nc(Cl)ccc2n1 ZINC000000161852 30/06/76/170300676 AZEPEWATPYRPBM-UHFFFAOYSA-N 0 225.635 BD 1.559 0 Anodyne ref BDAARN CCOC(=O)c1cn2nc(Cl)ccc2n1 in-vitro CCOC(=O)CS(=O)(=O)c1ccccc1 ZINC000000162455 22/94/31/170229431 NJBWORPRIRNTLH-UHFFFAOYSA-N 0 228.269 BD 1.023 0 Anodyne ref BDAARN CCOC(=O)CS(=O)(=O)c1ccccc1 CCCc1c(O)nc2ccccn2c1=O ZINC000000163497 67/87/86/342678786 WBQSWXOYAJNINZ-UHFFFAOYSA-N -1 204.229 BD 1.353 1 Anodyne mid BDAAMM CCCc1c([O-])nc2ccccn2c1=O CCCc1c(O)nc2ccccn2c1=O ZINC000000163497 67/87/84/342678784 WBQSWXOYAJNINZ-UHFFFAOYSA-N 0 204.229 BD 1.353 0 Anodyne ref BDAARN CCCc1c(O)nc2ccccn2c1=O CCOC(=O)c1cncc(C(=O)OCC)c1 ZINC000000164436 30/28/30/170302830 PGGQCHVPWSXPSI-UHFFFAOYSA-N 0 223.228 BD 1.435 0 Anodyne ref BDAARN CCOC(=O)c1cncc(C(=O)OCC)c1 O=[N+]([O-])c1cccnc1Sc1ncccn1 ZINC000000166651 95/42/15/182954215 VKHXUEUJDJXTHS-UHFFFAOYSA-N 0 234.24 BD 1.931 0 Bother ref BDBARN O=[N+]([O-])c1cccnc1Sc1ncccn1 NS(=O)(=O)c1cccc(Br)c1 ZINC000000167212 67/86/42/342678642 MUBJNMWVQGHHLG-UHFFFAOYSA-N 0 236.09 BD 1.097 0 Anodyne ref BDAARN NS(=O)(=O)c1cccc(Br)c1 O=C(O)c1cccc(I)c1 ZINC000000167226 67/87/73/342678773 KVBWBCRPWVKFQT-UHFFFAOYSA-N -1 248.019 BD 1.989 0 Anodyne ref BDAARM O=C([O-])c1cccc(I)c1