Oc1c(Br)cc(Br)c2cccnc12 ZINC000000001064 45/04/72/280450472 ZDASUJMDVPTNTF-UHFFFAOYSA-N 0 302.953 DG 3.465 1 Anodyne mid DGAAMN Oc1c(Br)cc(Br)c2cccnc12 world Oc1c(Br)cc(Br)c2cccnc12 ZINC000000001064 45/04/70/280450470 ZDASUJMDVPTNTF-UHFFFAOYSA-N -1 302.953 DG 3.465 0 Anodyne ref DGAARM [O-]c1c(Br)cc(Br)c2cccnc12 world Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 ZINC000000003876 11/15/48/431111548 ZAFYATHCZYHLPB-UHFFFAOYSA-N 0 307.397 DG 3.249 0 Anodyne ref DGAARN Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 fda Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)O)ccc12 ZINC000000052427 67/87/84/180678784 RDBWTPZPKRABOQ-UHFFFAOYSA-N -1 324.332 DG 3.156 0 Anodyne ref DGAARM Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)[O-])ccc12 O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 ZINC000000125838 13/10/72/431131072 WWVSDQYFRSUJAZ-UHFFFAOYSA-N 0 318.376 DG 3.491 2 Anodyne low DGAALN O=C([O-])c1c2c(nc3ccccc13)CC[N@H+](Cc1ccccc1)C2 O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 ZINC000000125838 13/10/64/431131064 WWVSDQYFRSUJAZ-UHFFFAOYSA-N 0 318.376 DG 3.491 2 Anodyne low DGAALN O=C([O-])c1c2c(nc3ccccc13)CC[N@@H+](Cc1ccccc1)C2 O=C(O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 ZINC000000125838 13/10/55/431131055 WWVSDQYFRSUJAZ-UHFFFAOYSA-N -1 318.376 DG 3.491 0 Anodyne ref DGAARM O=C([O-])c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@H](O)CC2 ZINC000000199444 14/56/09/431145609 RNZIQNGNLJSLHV-KDOFPFPSSA-N 0 317.385 DG 3.342 0 Anodyne ref DGAARN COc1c2c(nc3occc13)[C@@](CC=C(C)C)(OC)[C@H](O)CC2 in-vitro biogenic COc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000000294641 16/00/57/431160057 YFCVRSLQAHYLRE-UHFFFAOYSA-N 0 320.348 DG 3.015 0 Anodyne ref DGAARN COc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1 COc1cc(C(=O)c2cc(Cl)ccc2N)cc(OC)c1OC ZINC000000432835 18/02/29/431180229 XNXGUYDYCYSOCU-UHFFFAOYSA-N 0 321.76 DG 3.179 0 Anodyne ref DGAARN COc1cc(C(=O)c2cc(Cl)ccc2N)cc(OC)c1OC O=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000469375 80/04/85/180800485 GABASQJONDKFTJ-UHFFFAOYSA-N -1 309.365 DG 3.29 0 Anodyne ref DGAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 ZINC000000527159 19/69/40/431196940 QDEGMPXTGWEAPT-UHFFFAOYSA-N 0 309.373 DG 3.34 0 Anodyne ref DGAARN COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 Nc1nnc(CSCc2cccc(Br)c2)s1 ZINC000000530829 19/57/39/431195739 QKNRZGWBINMVHG-UHFFFAOYSA-N 0 316.249 DG 3.316 0 Anodyne ref DGAARN Nc1nnc(CSCc2cccc(Br)c2)s1 CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 ZINC000000898159 44/17/57/134441757 TXDUTHBFYKGSAH-SFHVURJKSA-N 0 303.365 DG 3.315 0 Clean ref DGCARN CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 in-vitro biogenic O=C(O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 ZINC000001236739 21/59/23/431215923 REOKQVGMRXJERQ-UHFFFAOYSA-N -1 314.268 DG 3.063 0 Anodyne ref DGAARM O=C([O-])COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 ZINC000002020083 24/21/90/431242190 CNBGNNVCVSKAQZ-UHFFFAOYSA-N 1 309.413 DG 3.415 0 Anodyne ref DGAARO C[NH+](C)CCCOc1nn(Cc2ccccc2)c2ccccc12 world Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)O)c(C)c32)c1C ZINC000002119858 24/48/51/431244851 WXSGUOVEIIVWMK-UHFFFAOYSA-N -1 300.31 DG 3.4 0 Anodyne ref DGAARM Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)[O-])c(C)c32)c1C CCCCSc1nnc(CCNC(=O)OC(C)(C)C)o1 ZINC000002409308 25/19/68/431251968 WEZDGFSYNKHLDH-UHFFFAOYSA-N 0 301.412 DG 3.029 0 Anodyne ref DGAARN CCCCSc1nnc(CCNC(=O)OC(C)(C)C)o1 Cc1nn(Cc2cc(C(=O)O)c3ccccc3n2)c(C)c1Cl ZINC000002554027 93/47/65/180934765 ZZWQAHYMOUVCGN-UHFFFAOYSA-N -1 315.76 DG 3.448 0 Anodyne ref DGAARM Cc1nn(Cc2cc(C(=O)[O-])c3ccccc3n2)c(C)c1Cl C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831404 08/37/36/400083736 LOUPRKONTZGTKE-WZBLMQSHSA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 fda biogenic C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831404 08/37/25/400083725 LOUPRKONTZGTKE-WZBLMQSHSA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 fda biogenic Cc1oc2cc3oc(=O)c(CCC(=O)O)c(C)c3cc2c1C ZINC000003881778 05/23/90/181052390 SWYMUQMUXITMLU-UHFFFAOYSA-N -1 300.31 DG 3.482 0 Anodyne ref DGAARM Cc1oc2cc3oc(=O)c(CCC(=O)[O-])c(C)c3cc2c1C O=C(O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003882193 05/24/66/181052466 ROQIGRLJUBETSG-UHFFFAOYSA-N -1 323.377 DG 3.382 0 Anodyne ref DGAARM O=C([O-])CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 COC(=O)CNc1nc(-c2ccccc2)c2cc(C)ccc2n1 ZINC000003882278 05/24/53/181052453 SMYUBBTWFJSEKV-UHFFFAOYSA-N 0 307.353 DG 3.19 0 Anodyne ref DGAARN COC(=O)CNc1nc(-c2ccccc2)c2cc(C)ccc2n1 O=[N+]([O-])c1c(NCc2ccccc2)cc(Cl)c2nonc12 ZINC000003882524 05/22/86/181052286 WOIINWLFYFXRET-UHFFFAOYSA-N 0 304.693 DG 3.397 0 Bother ref DGBARN O=[N+]([O-])c1c(NCc2ccccc2)cc(Cl)c2nonc12 O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1Cl ZINC000003882688 08/19/32/285081932 LZXSTDXUOATWQS-UHFFFAOYSA-N 0 302.677 DG 3.36 0 Bother ref DGBARN O=[N+]([O-])c1cc(-c2noc(-c3cccnc3)n2)ccc1Cl O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1Cl ZINC000003882690 03/29/61/275032961 KNTBNAOLWQTVFT-UHFFFAOYSA-N 0 302.677 DG 3.36 0 Bother ref DGBARN O=[N+]([O-])c1cc(-c2noc(-c3ccncc3)n2)ccc1Cl O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1Cl ZINC000003882691 05/23/28/181052328 UBXHKRPWPKQXGK-UHFFFAOYSA-N 0 302.677 DG 3.36 0 Bother ref DGBARN O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1Cl Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O ZINC000003882739 05/24/97/181052497 MQIIGELLXBQOQF-UHFFFAOYSA-N -1 309.369 DG 3.339 0 Anodyne ref DGAARM Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)[O-] Cc1coc2c(C)c3oc(=O)c(CCC(=O)O)c(C)c3cc12 ZINC000004041828 06/57/84/181065784 DBZRJVQWIHCSEZ-UHFFFAOYSA-N -1 300.31 DG 3.482 0 Anodyne ref DGAARM Cc1coc2c(C)c3oc(=O)c(CCC(=O)[O-])c(C)c3cc12 Cc1oc2c(C)c3oc(=O)c(CC(=O)O)c(C)c3cc2c1C ZINC000004042658 06/68/56/181066856 OWRHVCAKIFIAHT-UHFFFAOYSA-N -1 300.31 DG 3.4 0 Anodyne ref DGAARM Cc1oc2c(C)c3oc(=O)c(CC(=O)[O-])c(C)c3cc2c1C Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)O ZINC000004992267 18/67/08/181186708 DMBCHSORXMQXSQ-UHFFFAOYSA-N -1 309.369 DG 3.363 0 Anodyne ref DGAARM Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)[O-] COC(=O)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 ZINC000005729732 27/79/78/181277978 AOEGZILUCAJRCF-UHFFFAOYSA-N 0 312.277 DG 3.078 2 Anodyne low DGAALN COC(=O)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 COC(=O)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 ZINC000005729732 27/79/76/181277976 AOEGZILUCAJRCF-UHFFFAOYSA-N -1 312.277 DG 3.078 0 Anodyne ref DGAARM COC(=O)c1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1 COc1ccccc1[C@@H](CC(=O)O)c1ccc2c(c1)OCO2 ZINC000005880638 29/26/23/181292623 WTLXOHDZGPHZDO-ZDUSSCGKSA-N -1 300.31 DG 3.031 0 Anodyne ref DGAARM COc1ccccc1[C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2 COc1ccccc1[C@H](CC(=O)O)c1ccc2c(c1)OCO2 ZINC000005880649 29/23/22/181292322 WTLXOHDZGPHZDO-CYBMUJFWSA-N -1 300.31 DG 3.031 0 Anodyne ref DGAARM COc1ccccc1[C@H](CC(=O)[O-])c1ccc2c(c1)OCO2 COc1ccc(-c2c(C)oc3cc(O)ccc3c2=O)cc1OC ZINC000006556412 35/42/08/181354208 OUQFTNLPUKDFDZ-UHFFFAOYSA-N 0 312.321 DG 3.491 2 Anodyne low DGAALN COc1ccc(-c2c(C)oc3cc(O)ccc3c2=O)cc1OC COc1ccc(-c2c(C)oc3cc(O)ccc3c2=O)cc1OC ZINC000006556412 35/42/07/181354207 OUQFTNLPUKDFDZ-UHFFFAOYSA-N -1 312.321 DG 3.491 0 Anodyne ref DGAARM COc1ccc(-c2c(C)oc3cc([O-])ccc3c2=O)cc1OC C=C(C)COc1cc2oc(=O)c(CC(=O)O)c(C)c2cc1Cl ZINC000006645689 36/46/76/181364676 LUKJSQGUBAGOAX-UHFFFAOYSA-N -1 322.744 DG 3.337 0 Mild ref DGEARM C=C(C)COc1cc2oc(=O)c(CC(=O)[O-])c(C)c2cc1Cl Cc1c(CCC(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 ZINC000008765466 41/12/27/431411227 MMDLQMJKZVOBMC-UHFFFAOYSA-N -1 316.353 DG 3.222 0 Anodyne ref DGAARM Cc1c(CCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3 Cc1c(Cc2ccccc2)c(=O)oc2cc(OC[C@@H]3CO3)ccc12 ZINC000011765967 48/21/09/431482109 OEBAJLGILFNILF-MRXNPFEDSA-N 0 322.36 DG 3.47 0 Mild ref DGEARN Cc1c(Cc2ccccc2)c(=O)oc2cc(OC[C@@H]3CO3)ccc12 Cc1c(Cc2ccccc2)c(=O)oc2cc(OC[C@H]3CO3)ccc12 ZINC000011765976 48/24/05/431482405 OEBAJLGILFNILF-INIZCTEOSA-N 0 322.36 DG 3.47 0 Mild ref DGEARN Cc1c(Cc2ccccc2)c(=O)oc2cc(OC[C@H]3CO3)ccc12 O=C(O)Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000012243759 50/00/15/431500015 KHIGNDLKHUZIEQ-UHFFFAOYSA-N -1 303.261 DG 3.336 0 Anodyne ref DGAARM O=C([O-])Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 Cc1cc(SCC(=O)O)n2nc(C)c(-c3ccccc3)c2n1 ZINC000013689925 56/32/10/431563210 XJZOHNRAOJPDOX-UHFFFAOYSA-N -1 313.382 DG 3.19 0 Anodyne ref DGAARM Cc1cc(SCC(=O)[O-])n2nc(C)c(-c3ccccc3)c2n1 O=C1OC(c2ccccc2)=[N+]([O-])/C1=C\c1c[nH]c2ccccc12 ZINC000019702039 13/78/10/182137810 SQESNXUIHUOFFB-YBEGLDIGSA-N 1 304.305 DG 3.023 0 Mild ref DGEARO O=C1OC(c2ccccc2)[N+](=O)C1=Cc1c[nH]c2ccccc12 COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)O ZINC000023127144 34/90/56/182349056 SJBWTUCBGAUSSF-UHFFFAOYSA-N -1 324.332 DG 3.486 0 Anodyne ref DGAARM COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)[O-] COc1ccc2[nH]cc(CNCc3ccc4c(c3)OCO4)c2c1 ZINC000030714475 74/40/19/431744019 QYYGQZJCBVVOBB-UHFFFAOYSA-N 0 310.353 DG 3.195 3 Anodyne high DGAAHN COc1ccc2[nH]cc(CNCc3ccc4c(c3)OCO4)c2c1 COc1ccc2[nH]cc(CNCc3ccc4c(c3)OCO4)c2c1 ZINC000030714475 74/40/04/431744004 QYYGQZJCBVVOBB-UHFFFAOYSA-N 1 310.353 DG 3.195 0 Anodyne ref DGAARO COc1ccc2[nH]cc(C[NH2+]Cc3ccc4c(c3)OCO4)c2c1 O=C(O)c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 ZINC000032104433 77/23/14/431772314 ZYSHLIUHCYQCIP-UHFFFAOYSA-N -1 302.204 DG 3.455 0 Anodyne ref DGAARM O=C([O-])c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 O=C(O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O ZINC000032634049 78/55/03/431785503 ANHFSWPHLAPWBN-UHFFFAOYSA-N -2 310.305 DG 3.183 1 Anodyne mid DGAAML O=C([O-])CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1[O-] in-vitro O=C(O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O ZINC000032634049 78/54/93/431785493 ANHFSWPHLAPWBN-UHFFFAOYSA-N -1 310.305 DG 3.183 0 Anodyne ref DGAARM O=C([O-])CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O in-vitro CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 ZINC000034143942 82/00/20/431820020 FWLSZYCFYMQYSO-IAGOWNOFSA-N -1 309.365 DG 3.46 0 Anodyne ref DGAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1 Clc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC000034475079 82/01/20/431820120 GSXDEMFQZHOKLD-UHFFFAOYSA-N 0 309.2 DG 3.11 0 Anodyne ref DGAARN Clc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1 Cc1nn2c(C)cc(C(=O)O)nc2c1-c1ccc(Cl)cc1 ZINC000034925880 80/75/41/302807541 XDILDFJBSLZKDC-UHFFFAOYSA-N -1 301.733 DG 3.365 0 Anodyne ref DGAARM Cc1nn2c(C)cc(C(=O)[O-])nc2c1-c1ccc(Cl)cc1 CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 ZINC000036047768 83/41/01/431834101 FWLSZYCFYMQYSO-SJORKVTESA-N -1 309.365 DG 3.46 0 Anodyne ref DGAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 CC(C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccccc1 ZINC000036047769 83/32/04/431833204 FWLSZYCFYMQYSO-DLBZAZTESA-N -1 309.365 DG 3.46 0 Anodyne ref DGAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1 CC(C)N1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 ZINC000036047770 83/37/87/431833787 FWLSZYCFYMQYSO-IRXDYDNUSA-N -1 309.365 DG 3.46 0 Anodyne ref DGAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1 COC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1Br ZINC000038478090 85/60/44/431856044 SUTFCVNVKHYXER-UHFFFAOYSA-N -1 315.554 DG 3.279 3 Anodyne high DGAAHM COC(=O)c1n[n-]c(-c2cccc(Cl)c2)c1Br COC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1Br ZINC000038478090 85/60/42/431856042 SUTFCVNVKHYXER-UHFFFAOYSA-N -1 315.554 DG 3.279 3 Anodyne high DGAAHM COC(=O)c1[n-]nc(-c2cccc(Cl)c2)c1Br COC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1Br ZINC000038478090 85/60/40/431856040 SUTFCVNVKHYXER-UHFFFAOYSA-N 0 315.554 DG 3.279 0 Anodyne ref DGAARN COC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1Br O=C(O)c1[nH]nc(-c2cccc(Cl)c2)c1Br ZINC000038478093 85/58/23/431855823 GFAYBEBCABHUAP-UHFFFAOYSA-N -1 301.527 DG 3.191 0 Anodyne ref DGAARM O=C([O-])c1n[nH]c(-c2cccc(Cl)c2)c1Br O=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Br ZINC000038478109 85/63/76/431856376 NCKRBKPCSIBNOK-UHFFFAOYSA-N -1 301.527 DG 3.191 0 Anodyne ref DGAARM O=C([O-])c1n[nH]c(-c2ccc(Cl)cc2)c1Br N[C@@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000040162825 04/29/43/183042943 SSPLHBMUYGJYBI-AWEZNQCLSA-N 1 322.286 DG 3.132 1 Anodyne mid DGAAMO [NH3+][C@@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 N[C@@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000040162825 04/29/41/183042941 SSPLHBMUYGJYBI-AWEZNQCLSA-N 0 322.286 DG 3.132 0 Anodyne ref DGAARN N[C@@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 O=C(O)c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 ZINC000044901846 87/89/09/431878909 MXZVKGHBOSGEAX-UHFFFAOYSA-N -1 305.696 DG 3.154 0 Anodyne ref DGAARM O=C([O-])c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 COc1ccc(-c2nc(-n3cccc3)sc2C(=O)O)cc1 ZINC000045922761 89/20/52/431892052 GXGFCPDSXGONFF-UHFFFAOYSA-N -1 300.339 DG 3.308 0 Anodyne ref DGAARM COc1ccc(-c2nc(-n3cccc3)sc2C(=O)[O-])cc1 Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 ZINC000052957434 72/77/04/274727704 KVWDHTXUZHCGIO-UHFFFAOYSA-N 1 312.442 DG 3.439 1 Anodyne mid DGAAMO Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH+](C)CC1 fda Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 ZINC000052957434 72/77/03/274727703 KVWDHTXUZHCGIO-UHFFFAOYSA-N 0 312.442 DG 3.439 0 Anodyne ref DGAARN Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 fda O=C(O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 ZINC000053943976 96/57/07/431965707 VPSWUZFWHVMNML-UHFFFAOYSA-N -1 308.337 DG 3.396 0 Anodyne ref DGAARM O=C([O-])c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 O=C(O)c1[nH]nc(-c2ccccc2Cl)c1Br ZINC000053944213 96/60/04/431966004 CPCHEKRUYGLQLP-UHFFFAOYSA-N -1 301.527 DG 3.191 0 Anodyne ref DGAARM O=C([O-])c1n[nH]c(-c2ccccc2Cl)c1Br Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000053996535 96/69/86/431966986 YMIGILDAQDURHQ-UHFFFAOYSA-N 1 301.821 DG 3.244 1 Clean mid DGCAMO Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000053996535 96/69/84/431966984 YMIGILDAQDURHQ-UHFFFAOYSA-N 0 301.821 DG 3.244 0 Clean ref DGCARN Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 CC(C)c1c(Br)c(C(=O)O)nn1-c1ccccc1 ZINC000059326414 56/51/54/280565154 BUSPMTBWUZKTGV-UHFFFAOYSA-N -1 309.163 DG 3.456 0 Anodyne ref DGAARM CC(C)c1c(Br)c(C(=O)[O-])nn1-c1ccccc1 Cn1nc(-c2ccc(Cl)cc2)c(Br)c1C(=O)O ZINC000085345076 83/92/26/431839226 IIZGBHZJSUYTIY-UHFFFAOYSA-N -1 315.554 DG 3.201 0 Anodyne ref DGAARM Cn1nc(-c2ccc(Cl)cc2)c(Br)c1C(=O)[O-] Cn1nc(-c2cccc(Cl)c2)c(Br)c1C(=O)O ZINC000096118809 54/50/38/193545038 BDHLCFXIGXKVFI-UHFFFAOYSA-N -1 315.554 DG 3.201 0 Anodyne ref DGAARM Cn1nc(-c2cccc(Cl)c2)c(Br)c1C(=O)[O-] CC(C)[C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 ZINC000100015346 98/05/99/431980599 OELFLUMRDSZNSF-IXDOHACOSA-N -1 317.429 DG 3.261 0 Anodyne ref DGAARM CC(C)[C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 in-man COc1ccc(OC)c(C(=O)CC(=O)c2cc(C)ccc2O)c1 ZINC000100474615 98/21/31/431982131 YYLCGABXQUDTOG-UHFFFAOYSA-N -2 314.337 DG 3.174 3 Anodyne high DGAAHL COc1ccc(OC)c(C([O-])=CC(=O)c2cc(C)ccc2[O-])c1 COc1ccc(OC)c(C(=O)CC(=O)c2cc(C)ccc2O)c1 ZINC000100474615 98/21/26/431982126 YYLCGABXQUDTOG-UHFFFAOYSA-N -1 314.337 DG 3.174 0 Anodyne ref DGAARM COc1ccc(OC)c(C([O-])=CC(=O)c2cc(C)ccc2O)c1 N[C@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000100483525 98/22/95/431982295 SSPLHBMUYGJYBI-CQSZACIVSA-N 1 322.286 DG 3.132 1 Anodyne mid DGAAMO [NH3+][C@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 N[C@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000100483525 98/22/92/431982292 SSPLHBMUYGJYBI-CQSZACIVSA-N 0 322.286 DG 3.132 0 Anodyne ref DGAARN N[C@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 CC(C)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 ZINC000101489663 81/40/78/193814078 OELFLUMRDSZNSF-BRWVUGGUSA-N -1 317.429 DG 3.261 0 Anodyne ref DGAARM CC(C)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 investigational COc1ccc2[nH]cc(/C=C3\Oc4cc(O)ccc4C3=O)c2c1 ZINC000165824987 75/27/35/400752735 OEKKLBIHYARCAA-FMQZQXMHSA-N -1 307.305 DG 3.498 1 Mild mid DGEAMM COc1ccc2[nH]cc(/C=C3\Oc4cc([O-])ccc4C3=O)c2c1 COc1ccc2[nH]cc(/C=C3\Oc4cc(O)ccc4C3=O)c2c1 ZINC000165824987 75/27/28/400752728 OEKKLBIHYARCAA-FMQZQXMHSA-N -1 307.305 DG 3.498 0 Mild ref DGEARM COc1ccc2[nH]cc(/C=C3\Oc4cc(O)ccc4C3=O)c2c1