CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000000000504 26/99/98/368269998 UEQUQVLFIPOEMF-SFHVURJKSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@H+]1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000000000504 26/99/93/368269993 UEQUQVLFIPOEMF-SFHVURJKSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@@H+]1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000000000504 26/99/88/368269988 UEQUQVLFIPOEMF-SFHVURJKSA-N 0 264.372 CG 3.084 0 Anodyne ref CGAARN CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000000000855 26/94/27/368269427 UEQUQVLFIPOEMF-GOSISDBHSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@H+]1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000000000855 26/94/21/368269421 UEQUQVLFIPOEMF-GOSISDBHSA-N 1 264.372 CG 3.084 1 Anodyne mid CGAAMO C[N@@H+]1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 world CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 ZINC000000000855 26/94/11/368269411 UEQUQVLFIPOEMF-GOSISDBHSA-N 0 264.372 CG 3.084 0 Anodyne ref CGAARN CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1 world Cc1c(Cl)cccc1Nc1ncccc1C(=O)O ZINC000000001195 95/96/78/300959678 CLOMYZFHNHFSIQ-UHFFFAOYSA-N -1 262.696 CG 3.485 0 Anodyne ref CGAARM Cc1c(Cl)cccc1Nc1ncccc1C(=O)[O-] world Cc1cc(C)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c1 ZINC000000002231 27/00/37/368270037 HDDNYFLPWFSBLN-XYPWUTKMSA-N 1 273.376 CG 3.085 1 Anodyne mid CGAAMO Cc1cc(C)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c1 in-man Cc1cc(C)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c1 ZINC000000002231 27/00/30/368270030 HDDNYFLPWFSBLN-XYPWUTKMSA-N 1 273.376 CG 3.085 0 Anodyne ref CGAARO Cc1cc(C)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 in-man C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 ZINC000000002272 26/97/45/368269745 DKYWVDODHFEZIM-LLVKDONJSA-N -1 254.285 CG 3.106 0 Anodyne ref CGAARM C[C@@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1 fda CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3 ZINC000000003642 58/35/99/288583599 NNYBQONXHNTVIJ-QGZVFWFLSA-N -1 287.359 CG 3.383 0 Anodyne ref CGAARM CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)[O-])OCC3 fda CC[C@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000000003955 50/44/92/169504492 AYDXAULLCROVIT-HNNXBMFYSA-N -1 295.338 CG 3.425 0 Anodyne ref CGAARM CC[C@H](C(=O)[O-])c1ccc(N2Cc3ccccc3C2=O)cc1 investigational Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000004448 86/26/01/274862601 FELGMEQIXOGIFQ-CYBMUJFWSA-N 1 293.37 CG 3.129 1 Anodyne mid CGAAMO Cc1[nH+]ccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O fda Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000004448 86/26/00/274862600 FELGMEQIXOGIFQ-CYBMUJFWSA-N 0 293.37 CG 3.129 0 Anodyne ref CGAARN Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O fda Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000004840 50/43/38/169504338 VHOGYURTWQBHIL-UHFFFAOYSA-N 0 270.21 CG 3.254 0 Anodyne ref CGAARN Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 fda C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 ZINC000000005560 26/98/62/368269862 DKYWVDODHFEZIM-NSHDSACASA-N -1 254.285 CG 3.106 0 Anodyne ref CGAARM C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1 fda COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000006016 26/98/16/368269816 PNVNVHUZROJLTJ-MRXNPFEDSA-N 0 277.408 CG 3.036 3 Anodyne high CGAAHN COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 fda COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000006016 26/98/12/368269812 PNVNVHUZROJLTJ-MRXNPFEDSA-N 1 277.408 CG 3.036 0 Anodyne ref CGAARO COc1ccc([C@@H](C[NH+](C)C)C2(O)CCCCC2)cc1 fda CN(C)CCOC(c1ccccc1)c1ccccc1 ZINC000000020244 27/09/93/368270993 ZZVUWRFHKOJYTH-UHFFFAOYSA-N 0 255.361 CG 3.354 3 Anodyne high CGAAHN CN(C)CCOC(c1ccccc1)c1ccccc1 fda CN(C)CCOC(c1ccccc1)c1ccccc1 ZINC000000020244 27/09/88/368270988 ZZVUWRFHKOJYTH-UHFFFAOYSA-N 1 255.361 CG 3.354 0 Anodyne ref CGAARO C[NH+](C)CCOC(c1ccccc1)c1ccccc1 fda CCOC(=O)CN=C(c1ccccc1)c1ccccc1 ZINC000000055052 27/99/09/368279909 QUGJYNGNUBHTNS-UHFFFAOYSA-N 0 267.328 CG 3.087 0 Mild ref CGEARN CCOC(=O)CN=C(c1ccccc1)c1ccccc1 O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000000056527 27/93/82/368279382 YWECCEXWKFHHQJ-UHFFFAOYSA-N -1 260.676 CG 3.269 0 Anodyne ref CGAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)cc1 in-vitro CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3 ZINC000000057313 58/35/12/288583512 NNYBQONXHNTVIJ-KRWDZBQOSA-N -1 287.359 CG 3.383 0 Anodyne ref CGAARM CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[O-])OCC3 fda C[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1 ZINC000000057503 28/00/55/368280055 MDKGKXOCJGEUJW-VIFPVBQESA-N -1 260.314 CG 3.167 0 Anodyne ref CGAARM C[C@H](C(=O)[O-])c1ccc(C(=O)c2cccs2)cc1 world C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1 ZINC000000057504 27/92/25/368279225 MDKGKXOCJGEUJW-SECBINFHSA-N -1 260.314 CG 3.167 0 Anodyne ref CGAARM C[C@@H](C(=O)[O-])c1ccc(C(=O)c2cccs2)cc1 world Cc1c(-c2ccccc2)oc2c(C(=O)O)cccc2c1=O ZINC000000057646 90/63/08/391906308 KMMBBZOSQNLLMN-UHFFFAOYSA-N -1 280.279 CG 3.467 0 Anodyne ref CGAARM Cc1c(-c2ccccc2)oc2c(C(=O)[O-])cccc2c1=O in-vitro Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000075126 28/26/99/368282699 FELGMEQIXOGIFQ-ZDUSSCGKSA-N 1 293.37 CG 3.129 1 Anodyne mid CGAAMO Cc1[nH+]ccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O fda Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000075126 28/26/94/368282694 FELGMEQIXOGIFQ-ZDUSSCGKSA-N 0 293.37 CG 3.129 0 Anodyne ref CGAARN Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O fda O=C(O)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000000085636 23/98/38/304239838 JTOIZLCQNWWDCN-UHFFFAOYSA-N -1 258.117 CG 3.422 0 Anodyne ref CGAARM O=C([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000000120181 12/00/86/277120086 RGPDEAGGEXEMMM-KRWDZBQOSA-N 0 253.345 CG 3.238 1 Anodyne mid CGAAMN CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000000120181 12/00/85/277120085 RGPDEAGGEXEMMM-KRWDZBQOSA-N 1 253.345 CG 3.238 1 Anodyne mid CGAAMO C[N@H+]1CCO[C@@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@@H](c2ccccc2)c2ccccc2C1 ZINC000000120181 12/00/84/277120084 RGPDEAGGEXEMMM-KRWDZBQOSA-N 1 253.345 CG 3.238 0 Anodyne ref CGAARO C[N@@H+]1CCO[C@@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 12/84/08/277128408 RGPDEAGGEXEMMM-QGZVFWFLSA-N 0 253.345 CG 3.238 1 Anodyne mid CGAAMN CN1CCO[C@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 12/84/06/277128406 RGPDEAGGEXEMMM-QGZVFWFLSA-N 1 253.345 CG 3.238 1 Anodyne mid CGAAMO C[N@H+]1CCO[C@H](c2ccccc2)c2ccccc2C1 world CN1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 12/84/04/277128404 RGPDEAGGEXEMMM-QGZVFWFLSA-N 1 253.345 CG 3.238 0 Anodyne ref CGAARO C[N@@H+]1CCO[C@H](c2ccccc2)c2ccccc2C1 world Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000000137444 29/98/09/368299809 HGWLTZOMQZIUBW-UHFFFAOYSA-N 0 269.167 CG 3.079 0 Anodyne ref CGAARN Nc1ncc(Cc2ccc(Br)cc2)s1 in-vitro C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 ZINC000000155697 90/74/00/391907400 KMPWYEUPVWOPIM-KODHJQJWSA-N 1 294.398 CG 3.165 1 Mild mid CGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 world endogenous C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 ZINC000000155697 90/73/94/391907394 KMPWYEUPVWOPIM-KODHJQJWSA-N 1 294.398 CG 3.165 0 Mild ref CGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 world endogenous O=C(O)c1ccc2cc(Br)ccc2c1 ZINC000000156438 25/41/93/304254193 NPMCAVBMOTZUPD-UHFFFAOYSA-N -1 251.079 CG 3.301 0 Anodyne ref CGAARM O=C([O-])c1ccc2cc(Br)ccc2c1 O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000000241954 32/33/09/368323309 YAEYBUZMILPYLT-UHFFFAOYSA-N 1 255.104 CG 3.073 2 Anodyne low CGAALO O=C(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000000241954 32/33/06/368323306 YAEYBUZMILPYLT-UHFFFAOYSA-N 0 255.104 CG 3.073 0 Anodyne ref CGAARN O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl COc1cc(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC000000338037 34/33/59/368343359 QQQCWVDPMPFUGF-ZDUSSCGKSA-N -1 270.284 CG 3.107 1 Anodyne mid CGAAMM COc1cc([O-])cc2c1C(=O)C[C@@H](c1ccccc1)O2 in-vitro biogenic COc1cc(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2 ZINC000000338037 34/33/52/368343352 QQQCWVDPMPFUGF-ZDUSSCGKSA-N 0 270.284 CG 3.107 0 Anodyne ref CGAARN COc1cc(O)cc2c1C(=O)C[C@@H](c1ccccc1)O2 in-vitro biogenic COc1cc(O)cc2c1C(=O)C[C@H](c1ccccc1)O2 ZINC000000338038 34/35/17/368343517 QQQCWVDPMPFUGF-CYBMUJFWSA-N -1 270.284 CG 3.107 1 Anodyne mid CGAAMM COc1cc([O-])cc2c1C(=O)C[C@H](c1ccccc1)O2 in-vitro biogenic COc1cc(O)cc2c1C(=O)C[C@H](c1ccccc1)O2 ZINC000000338038 34/35/13/368343513 QQQCWVDPMPFUGF-CYBMUJFWSA-N 0 270.284 CG 3.107 0 Anodyne ref CGAARN COc1cc(O)cc2c1C(=O)C[C@H](c1ccccc1)O2 in-vitro biogenic COC(=O)/N=c1\[nH]c2ccc(Sc3ccccc3)cc2[nH]1 ZINC000000402911 35/89/15/368358915 HDDSHPAODJUKPD-UHFFFAOYSA-N 0 299.355 CG 3.314 1 Anodyne mid CGAAMN COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1 in-man aggregator endogenous COC(=O)/N=c1\[nH]c2ccc(Sc3ccccc3)cc2[nH]1 ZINC000000402911 35/89/09/368358909 HDDSHPAODJUKPD-UHFFFAOYSA-N 0 299.355 CG 3.314 0 Anodyne ref CGAARN COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1 in-man aggregator endogenous Brc1ccc(I)cc1 ZINC000000404761 91/11/75/391911175 UCCUXODGPMAHRL-UHFFFAOYSA-N 0 282.906 CG 3.054 0 Anodyne ref CGAARN Brc1ccc(I)cc1 Brc1cccc(I)c1 ZINC000000409252 91/11/07/391911107 CTPUUDQIXKUAMO-UHFFFAOYSA-N 0 282.906 CG 3.054 0 Anodyne ref CGAARN Brc1cccc(I)c1 COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000896698 42/89/45/277428945 PNVNVHUZROJLTJ-INIZCTEOSA-N 0 277.408 CG 3.036 3 Anodyne high CGAAHN COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1 fda COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000896698 42/89/41/277428941 PNVNVHUZROJLTJ-INIZCTEOSA-N 1 277.408 CG 3.036 0 Anodyne ref CGAARO COc1ccc([C@H](C[NH+](C)C)C2(O)CCCCC2)cc1 fda O=C(O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000001237659 28/31/79/304283179 GXFRQLQUKBSYQL-UHFFFAOYSA-N -1 260.891 CG 3.393 0 Anodyne ref CGAARM O=C([O-])c1nc(Cl)c(Cl)c(Cl)c1Cl in-vitro O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 ZINC000001433338 26/53/19/280265319 UVCOILFBWYKHHB-UHFFFAOYSA-N 0 288.709 CG 3.269 0 Anodyne ref CGAARN O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 world O=C(O)CN1c2ccccc2Sc2ccccc21 ZINC000001436277 06/78/86/304067886 QUJVFIOYSMVYGY-UHFFFAOYSA-N -1 257.314 CG 3.374 0 Anodyne ref CGAARM O=C([O-])CN1c2ccccc2Sc2ccccc21 CCOC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000001509173 41/61/87/368416187 LWRLKENDQISGEU-UHFFFAOYSA-N 0 268.11 CG 3.107 0 Anodyne ref CGAARN CCOC(=O)c1cc2cc(Br)ccc2[nH]1 CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 ZINC000001531846 71/21/07/169712107 NLDDIKRKFXEWBK-AWEZNQCLSA-N 0 294.391 CG 3.234 0 Anodyne ref CGAARN CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 in-man metabolite O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1 ZINC000001700075 18/40/90/560184090 UPMLOUAZCHDJJD-UHFFFAOYSA-N 0 250.257 CG 3.212 0 Reactive ref CGGARN O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1 in-vitro O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl ZINC000002022399 08/44/47/285084447 HFHAVERNVFNSHL-UHFFFAOYSA-N 0 270.55 CG 3.175 0 Bother ref CGBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C ZINC000002037285 44/46/54/368444654 PYEBKOFMWAMBFV-UHFFFAOYSA-O 1 263.405 CG 3.118 0 Mild ref CGEARO CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C in-vitro O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl ZINC000002041008 33/19/69/280331969 HKIOYBQGHSTUDB-UHFFFAOYSA-N 0 296.562 CG 3.259 0 Anodyne ref CGAARN O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl in-man endogenous C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000002109876 91/19/78/279911978 GVKKJJOMQCNPGB-JTQLQIEISA-N 0 296.366 CG 3.443 0 Mild ref CGEARN C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C investigational endogenous CCOC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000002383949 45/30/34/368453034 FVMZWWFKRMBNSZ-UHFFFAOYSA-N 0 268.11 CG 3.107 0 Anodyne ref CGAARN CCOC(=O)c1cc2ccc(Br)cc2[nH]1 N#Cc1ccc(Br)c(C(F)(F)F)c1 ZINC000002384143 45/36/16/368453616 KSXUIQQDHHFSRN-UHFFFAOYSA-N 0 250.017 CG 3.34 0 Mild ref CGEARN N#Cc1ccc(Br)c(C(F)(F)F)c1 CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 ZINC000002386004 45/32/83/368453283 ZTILAOCGFRDHBH-UHFFFAOYSA-N -1 292.356 CG 3.012 1 Anodyne mid CGAAMM CC(C)Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1 CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 ZINC000002386004 45/32/78/368453278 ZTILAOCGFRDHBH-UHFFFAOYSA-N -1 292.356 CG 3.012 0 Anodyne ref CGAARM CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 Nc1cc(Br)ccc1C(=O)c1ccccc1 ZINC000002509881 34/76/42/295347642 NPOSTKZYBVQXNJ-UHFFFAOYSA-N 0 276.133 CG 3.262 0 Anodyne ref CGAARN Nc1cc(Br)ccc1C(=O)c1ccccc1 Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1 ZINC000002526964 46/04/36/368460436 JHGHLTNIQXXXNV-UHFFFAOYSA-N 0 280.327 CG 3.245 2 Anodyne low CGAALN Cc1ccc(-c2[nH+]c3ccc(C)cn3c2CC(=O)[O-])cc1 in-vitro Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1 ZINC000002526964 46/04/28/368460428 JHGHLTNIQXXXNV-UHFFFAOYSA-N 0 280.327 CG 3.245 0 Anodyne ref CGAARN Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)[O-])cc1 in-vitro O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC000002539082 80/56/73/169805673 IZNVWIXUMIMNSP-UHFFFAOYSA-N -1 273.313 CG 3.082 0 Anodyne ref CGAARM O=S(=O)([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1 Cc1ccc(S(=O)(=O)OCCc2cccs2)cc1 ZINC000002541800 46/35/31/368463531 HLPRKWVEMYDPAU-UHFFFAOYSA-N 0 282.386 CG 3.005 0 Mild ref CGEARN Cc1ccc(S(=O)(=O)OCCc2cccs2)cc1 in-vitro CN(C(=O)COc1nc2ccccc2s1)c1ccccc1 ZINC000002555388 46/32/13/368463213 XIGAUIHYSDTJHW-UHFFFAOYSA-N 0 298.367 CG 3.338 0 Anodyne ref CGAARN CN(C(=O)COc1nc2ccccc2s1)c1ccccc1 in-vitro Fc1ccc(OC(F)(F)F)cc1Br ZINC000002578020 46/65/91/368466591 VVVFPEJORKPEST-UHFFFAOYSA-N 0 258.996 CG 3.487 0 Anodyne ref CGAARN Fc1ccc(OC(F)(F)F)cc1Br CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000002579325 46/61/77/368466177 OWKGFSOHSDMRJL-UHFFFAOYSA-N 0 271.272 CG 3.376 0 Bother ref CGBARN CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 in-vitro CC(=O)c1ccc(Br)cc1Br ZINC000003070098 10/66/63/277106663 PFNFQYGPUFVXPB-UHFFFAOYSA-N 0 277.943 CG 3.414 0 Anodyne ref CGAARN CC(=O)c1ccc(Br)cc1Br CC[C@@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000003187624 49/64/93/368496493 AYDXAULLCROVIT-OAHLLOKOSA-N -1 295.338 CG 3.425 0 Anodyne ref CGAARM CC[C@@H](C(=O)[O-])c1ccc(N2Cc3ccccc3C2=O)cc1 investigational C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 ZINC000003881680 68/41/80/571684180 KMPWYEUPVWOPIM-QAMTZSDWSA-N 1 294.398 CG 3.165 1 Mild mid CGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 in-man endogenous C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 ZINC000003881680 68/41/59/571684159 KMPWYEUPVWOPIM-QAMTZSDWSA-N 1 294.398 CG 3.165 0 Mild ref CGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 in-man endogenous CC(C)(C)OC(=O)c1ccc(Br)cc1 ZINC000004235226 53/78/68/368537868 BFJJYXUCGYOXDM-UHFFFAOYSA-N 0 257.127 CG 3.404 0 Anodyne ref CGAARN CC(C)(C)OC(=O)c1ccc(Br)cc1 in-vitro N#Cc1ccc2c(c1)CO[C@]2(CCCN)c1ccc(F)cc1 ZINC000006093242 17/58/47/170175847 RKUKMUWCRLRPEJ-GOSISDBHSA-N 1 296.345 CG 3.21 0 Mild ref CGEARO N#Cc1ccc2c(c1)CO[C@]2(CCC[NH3+])c1ccc(F)cc1 world N#Cc1ccc2c(c1)CO[C@@]2(CCCN)c1ccc(F)cc1 ZINC000006093314 20/12/63/303201263 RKUKMUWCRLRPEJ-SFHVURJKSA-N 1 296.345 CG 3.21 0 Mild ref CGEARO N#Cc1ccc2c(c1)CO[C@@]2(CCC[NH3+])c1ccc(F)cc1 world O=C(O)c1ccccc1C(=O)Cc1ccc(Cl)cc1 ZINC000006095164 17/61/00/170176100 BDSINYHJZLINDJ-UHFFFAOYSA-N -1 274.703 CG 3.464 0 Anodyne ref CGAARM O=C([O-])c1ccccc1C(=O)Cc1ccc(Cl)cc1 in-vitro c1ccc(P(c2ccccc2)c2ccccc2)cc1 ZINC000008585891 20/96/17/560209617 RIOQSEWOXXDEQQ-UHFFFAOYSA-N 0 262.292 CG 3.445 0 Reactive ref CGGARN c1ccc(P(c2ccccc2)c2ccccc2)cc1 in-vitro O=c1[nH]nc(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000008829019 35/69/52/170356952 NLXGCQIEVZYDRS-UHFFFAOYSA-N 0 270.719 CG 3.167 0 Anodyne ref CGAARN O=c1[nH]nc(Cc2ccc(Cl)cc2)c2ccccc12 in-vivo O=C(O)c1cc2c(Br)cccc2s1 ZINC000012336626 22/89/77/304228977 LAYNZUFIYSYHIV-UHFFFAOYSA-N -1 257.108 CG 3.362 0 Anodyne ref CGAARM O=C([O-])c1cc2c(Br)cccc2s1 COc1cc(SC(C)C)c(OC)cc1C[C@@H](C)N ZINC000013641751 66/00/86/368660086 BCWCXWKCQMBFBQ-SNVBAGLBSA-N 1 269.41 CG 3.094 0 Anodyne ref CGABRO COc1cc(SC(C)C)c(OC)cc1C[C@@H](C)[NH3+] in-vitro COc1cc(SC(C)C)c(OC)cc1C[C@H](C)N ZINC000013641754 66/01/59/368660159 BCWCXWKCQMBFBQ-JTQLQIEISA-N 1 269.41 CG 3.094 0 Anodyne ref CGABRO COc1cc(SC(C)C)c(OC)cc1C[C@H](C)[NH3+] in-vitro NC(=O)N1c2ccccc2[C@@H]2O[C@@H]2c2ccccc21 ZINC000016090791 26/61/71/303266171 ZRWWEEVEIOGMMT-OKILXGFUSA-N 0 252.273 CG 3.029 0 Mild ref CGEARN NC(=O)N1c2ccccc2[C@@H]2O[C@@H]2c2ccccc21 world O=C(O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000016159884 23/28/35/304232835 GPBPFDPENZHCPR-UHFFFAOYSA-N -1 269.016 CG 3.166 0 Anodyne ref CGAARM O=C([O-])c1ccc(Br)c(C(F)(F)F)c1 c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2 ZINC000016696635 49/16/51/280491651 JLOAJISUHPIQOX-UHFFFAOYSA-N 0 295.411 CG 3.135 3 Anodyne high CGAAHN c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2 in-vitro c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2 ZINC000016696635 49/16/43/280491643 JLOAJISUHPIQOX-UHFFFAOYSA-N 1 295.411 CG 3.135 0 Anodyne ref CGAARO c1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1ccccc1S2 in-vitro COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 ZINC000018847036 04/77/04/295047704 HKQYGTCOTHHOMP-UHFFFAOYSA-N 0 268.268 CG 3.174 2 Anodyne low CGAALN COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 in-man endogenous COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 ZINC000018847036 04/76/93/295047693 HKQYGTCOTHHOMP-UHFFFAOYSA-N -1 268.268 CG 3.174 0 Anodyne ref CGAARM COc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1 in-man endogenous CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020148995 03/74/01/171037401 ICKFFNBDFNZJSX-UHFFFAOYSA-N 0 289.81 CG 3.303 3 Anodyne high CGAAHN CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 world CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020148995 03/74/00/171037400 ICKFFNBDFNZJSX-UHFFFAOYSA-N 1 289.81 CG 3.303 0 Anodyne ref CGAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 world CC(=O)c1ccc(Br)c(Br)c1 ZINC000020156190 10/65/01/277106501 GYWFVNMZKBLMAR-UHFFFAOYSA-N 0 277.943 CG 3.414 0 Anodyne ref CGABRN CC(=O)c1ccc(Br)c(Br)c1 O=C(O)c1ccc(Br)cc1C(F)(F)F ZINC000021304811 23/28/96/304232896 JXHWAPDBDXPBEQ-UHFFFAOYSA-N -1 269.016 CG 3.166 0 Anodyne ref CGAARM O=C([O-])c1ccc(Br)cc1C(F)(F)F CC(C)(C)OC(=O)N1CCc2c([nH]c3ccccc23)C1 ZINC000021986585 94/14/81/391941481 GFJCZDJPSXKGSF-UHFFFAOYSA-N 0 272.348 CG 3.461 0 Anodyne ref CGAARN CC(C)(C)OC(=O)N1CCc2c([nH]c3ccccc23)C1 COC(=O)c1cc(Cl)c2ccc(Cl)cc2n1 ZINC000021986848 15/16/70/277151670 BSWADGMXDJAZCP-UHFFFAOYSA-N 0 256.088 CG 3.328 0 Anodyne ref CGABRN COC(=O)c1cc(Cl)c2ccc(Cl)cc2n1 CC/C=C(/C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1 ZINC000021992417 34/65/59/171346559 XIXNSLABECPEMI-SOFGYWHQSA-N -2 298.364 CG 3.368 3 Anodyne high CGAAHL CCC=C(C(=O)[O-])c1csc(=NC(=O)OC(C)(C)C)[n-]1 CC/C=C(/C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1 ZINC000021992417 34/65/56/171346556 XIXNSLABECPEMI-SOFGYWHQSA-N -1 298.364 CG 3.368 0 Anodyne ref CGAARM CCC=C(C(=O)[O-])c1csc(=NC(=O)OC(C)(C)C)[nH]1