O=C(O)/C=C/c1ccc(O)cc1 ZINC000000039811 33/44/84/169334484 NGSWKAQJJWESNS-ZZXKWVIFSA-N -1 164.16 AD 1.49 0 Anodyne ref ADAARM O=C([O-])/C=C/c1ccc(O)cc1 in-man endogenous Cc1nc(C)c(CC(=O)O)s1 ZINC000000064846 92/54/07/342925407 VVEIGFCSKPLKGZ-UHFFFAOYSA-N -1 171.221 AD 1.387 0 Anodyne ref ADAARM Cc1nc(C)c(CC(=O)[O-])s1 CC1(C)CC(CCO)CC(C)(C)N1 ZINC000000078175 67/06/69/166670669 COEGBCJIXOPJHZ-UHFFFAOYSA-N 1 185.311 AD 1.926 0 Anodyne ref ADAARO CC1(C)CC(CCO)CC(C)(C)[NH2+]1 O=C(O)c1ccccc1C(=O)O ZINC000000090750 92/62/74/342926274 XNGIFLGASWRNHJ-UHFFFAOYSA-N -2 166.132 AD 1.083 0 Anodyne ref ADAARL O=C([O-])c1ccccc1C(=O)[O-] in-man biogenic OC1CCN(Cc2ccccc2)CC1 ZINC000000119568 27/07/67/351270767 BPPZXJZYCOETDA-UHFFFAOYSA-N 0 191.274 AD 1.643 3 Anodyne high ADAAHN OC1CCN(Cc2ccccc2)CC1 in-vitro OC1CCN(Cc2ccccc2)CC1 ZINC000000119568 27/07/62/351270762 BPPZXJZYCOETDA-UHFFFAOYSA-N 1 191.274 AD 1.643 0 Anodyne ref ADAARO OC1CC[NH+](Cc2ccccc2)CC1 in-vitro c1ccc(N2CCNCC2)cc1 ZINC000000120271 17/85/25/132178525 YZTJYBJCZXZGCT-UHFFFAOYSA-N 0 162.236 AD 1.096 3 Anodyne high ADAAHN c1ccc(N2CCNCC2)cc1 in-vivo c1ccc(N2CCNCC2)cc1 ZINC000000120271 17/85/23/132178523 YZTJYBJCZXZGCT-UHFFFAOYSA-N 1 162.236 AD 1.096 0 Anodyne ref ADAARO c1ccc(N2CC[NH2+]CC2)cc1 in-vivo Nc1ccc(O)c2ncccc12 ZINC000000120515 29/25/68/169292568 YDEUKNRKEYICTH-UHFFFAOYSA-N 0 160.176 AD 1.523 0 Anodyne ref ADAARN Nc1ccc(O)c2ncccc12 in-vivo CC(=O)Nc1nccs1 ZINC000000125033 28/56/88/166285688 WXPLRSVMGRAIGW-UHFFFAOYSA-N 0 142.183 AD 1.101 0 Anodyne ref ADAARN CC(=O)Nc1nccs1 CC(=O)Nc1ccccc1C ZINC000000142826 92/81/03/342928103 BPEXTIMJLDWDTL-UHFFFAOYSA-N 0 149.193 AD 1.953 0 Anodyne ref ADAARN CC(=O)Nc1ccccc1C O=C(O)c1cc2ccccc2[nH]1 ZINC000000145536 35/64/20/169356420 HCUARRIEZVDMPT-UHFFFAOYSA-N -1 161.16 AD 1.866 0 Anodyne ref ADAARM O=C([O-])c1cc2ccccc2[nH]1 in-man endogenous Cc1ccc(C=O)s1 ZINC000000152265 81/06/70/168810670 VAUMDUIUEPIGHM-UHFFFAOYSA-N 0 126.18 AD 1.869 0 Anodyne ref ADAARN Cc1ccc(C=O)s1 in-man endogenous NCc1cccc(F)c1 ZINC000000152271 22/43/20/169224320 QVSVMNXRLWSNGS-UHFFFAOYSA-N 1 125.146 AD 1.284 0 Anodyne ref ADAARO [NH3+]Cc1cccc(F)c1 in-vitro N#Cc1ccc(N)cc1 ZINC000000152697 12/16/25/169121625 YBAZINRZQSAIAY-UHFFFAOYSA-N 0 118.139 AD 1.14 0 Mild ref ADEARN N#Cc1ccc(N)cc1 in-vitro Cc1ccc(NN)cc1 ZINC000000153114 82/78/68/168827868 XAMBIJWZVIZZOG-UHFFFAOYSA-N 0 122.171 AD 1.281 0 Anodyne ref ADAARN Cc1ccc(NN)cc1 O=C(O)CCc1ccccc1 ZINC000000154564 33/90/15/169339015 XMIIGOLPHOKFCH-UHFFFAOYSA-N -1 150.177 AD 1.704 0 Anodyne ref ADAARM O=C([O-])CCc1ccccc1 world endogenous N#CC1(c2ccccc2)CCNCC1 ZINC000000155176 92/90/25/342929025 DMCVVFIWYIKAEJ-UHFFFAOYSA-N 0 186.258 AD 1.831 3 Mild high ADEAHN N#CC1(c2ccccc2)CCNCC1 N#CC1(c2ccccc2)CCNCC1 ZINC000000155176 92/90/23/342929023 DMCVVFIWYIKAEJ-UHFFFAOYSA-N 1 186.258 AD 1.831 0 Mild ref ADEARO N#CC1(c2ccccc2)CC[NH2+]CC1 CC(=O)c1ccc(C(=O)O)s1 ZINC000000156366 32/28/24/166322824 LIKIMWYKJUFVJP-UHFFFAOYSA-N -1 170.189 AD 1.649 0 Anodyne ref ADAARM CC(=O)c1ccc(C(=O)[O-])s1 COC(=O)c1ccc(C)nc1 ZINC000000157000 13/09/67/168130967 VYPPZXZHYDSBSJ-UHFFFAOYSA-N 0 151.165 AD 1.177 0 Anodyne ref ADAARN COC(=O)c1ccc(C)nc1 in-vitro O=Cc1cccc(F)c1 ZINC000000157155 92/93/82/342929382 PIKNVEVCWAAOMJ-UHFFFAOYSA-N 0 124.114 AD 1.638 0 Anodyne ref ADAARN O=Cc1cccc(F)c1 in-vitro CC(=O)c1ccccc1C(=O)O ZINC000000157437 32/95/24/166329524 QDAWXRKTSATEOP-UHFFFAOYSA-N -1 164.16 AD 1.587 0 Anodyne ref ADAARM CC(=O)c1ccccc1C(=O)[O-] in-vitro CCOC(=O)c1ccccc1O ZINC000000157490 37/17/99/167371799 GYCKQBWUSACYIF-UHFFFAOYSA-N 0 166.176 AD 1.569 0 Anodyne ref ADAARN CCOC(=O)c1ccccc1O in-man endogenous COc1cccc(N)c1 ZINC000000157531 26/89/60/168268960 NCBZRJODKRCREW-UHFFFAOYSA-N 0 123.155 AD 1.277 0 Anodyne ref ADAARN COc1cccc(N)c1 COc1ccc(C)c(N)c1 ZINC000000157567 24/56/04/168245604 RPJXLEZOFUNGNZ-UHFFFAOYSA-N 0 137.182 AD 1.586 0 Anodyne ref ADAARN COc1ccc(C)c(N)c1 COc1ccc(CN)cc1 ZINC000000157596 25/16/03/168251603 IDPURXSQCKYKIJ-UHFFFAOYSA-N 1 137.182 AD 1.154 0 Anodyne ref ADAARO COc1ccc(C[NH3+])cc1 in-vitro Nc1ccccc1F ZINC000000157599 29/86/56/169298656 FTZQXOJYPFINKJ-UHFFFAOYSA-N 0 111.119 AD 1.408 0 Anodyne ref ADAARN Nc1ccccc1F in-vivo O=C(O)c1ccc2c(c1)OCO2 ZINC000000158540 92/97/47/342929747 VDVJGIYXDVPQLP-UHFFFAOYSA-N -1 166.132 AD 1.113 0 Anodyne ref ADAARM O=C([O-])c1ccc2c(c1)OCO2 in-man endogenous O=C(O)c1nc2ccccc2[nH]1 ZINC000000158649 99/20/19/170992019 RHXSYTACTOMVLJ-UHFFFAOYSA-N -1 162.148 AD 1.261 0 Anodyne ref ADAARM O=C([O-])c1nc2ccccc2[nH]1 in-vivo Nc1c(F)cccc1F ZINC000000159273 28/24/69/169282469 ODUZJBKKYBQIBX-UHFFFAOYSA-N 0 129.109 AD 1.547 0 Anodyne ref ADAARN Nc1c(F)cccc1F in-vitro Cc1cc(C)n(C)n1 ZINC000000159394 92/97/78/342929778 HNOQAFMOBRWDKQ-UHFFFAOYSA-N 0 110.16 AD 1.037 0 Anodyne ref ADAARN Cc1cc(C)n(C)n1 in-vitro N#Cc1ccc(O)cc1F ZINC000000161696 12/29/26/169122926 REIVHYDACHXPNH-UHFFFAOYSA-N 0 137.113 AD 1.403 1 Mild mid ADEAMN N#Cc1ccc(O)cc1F in-vitro N#Cc1ccc(O)cc1F ZINC000000161696 12/29/23/169122923 REIVHYDACHXPNH-UHFFFAOYSA-N -1 137.113 AD 1.403 0 Mild ref ADEARM N#Cc1ccc([O-])cc1F in-vitro Fc1ccccc1F ZINC000000164418 08/75/54/169087554 GOYDNIKZWGIXJT-UHFFFAOYSA-N 0 114.094 AD 1.965 0 Anodyne ref ADAARN Fc1ccccc1F in-vitro Cc1ccc(F)cc1N ZINC000000164438 82/14/13/168821413 JLCDTNNLXUMYFQ-UHFFFAOYSA-N 0 125.146 AD 1.716 0 Anodyne ref ADAARN Cc1ccc(F)cc1N CCOC(=O)c1ccco1 ZINC000000164474 37/28/87/167372887 NHXSTXWKZVAVOQ-UHFFFAOYSA-N 0 140.138 AD 1.456 0 Anodyne ref ADAARN CCOC(=O)c1ccco1 in-man Nc1ccc(F)c(F)c1F ZINC000000164526 93/04/46/342930446 WRDGNXCXTDDYBZ-UHFFFAOYSA-N 0 147.099 AD 1.686 0 Anodyne ref ADAARN Nc1ccc(F)c(F)c1F O=C(O)c1c(F)cccc1F ZINC000000164540 35/59/10/169355910 ONOTYLMNTZNAQZ-UHFFFAOYSA-N -1 158.103 AD 1.663 0 Anodyne ref ADAARM O=C([O-])c1c(F)cccc1F Cc1ccc(N)cc1F ZINC000000164593 93/05/36/342930536 MGRHBBRSAFPBIN-UHFFFAOYSA-N 0 125.146 AD 1.716 0 Anodyne ref ADAARN Cc1ccc(N)cc1F O=Cc1ccccc1[N+](=O)[O-] ZINC000000164601 18/80/17/171188017 CMWKITSNTDAEDT-UHFFFAOYSA-N 0 151.121 AD 1.407 0 Bother ref ADBARN O=Cc1ccccc1[N+](=O)[O-] in-vitro N#Cc1ccc(F)cc1 ZINC000000164613 12/21/83/169122183 AEKVBBNGWBBYLL-UHFFFAOYSA-N 0 121.114 AD 1.697 0 Mild ref ADEARN N#Cc1ccc(F)cc1 Oc1ccc(F)c(F)c1 ZINC000000164811 93/03/85/342930385 BNPWVUJOPCGHIK-UHFFFAOYSA-N -1 130.093 AD 1.67 3 Anodyne high ADAAHM [O-]c1ccc(F)c(F)c1 Oc1ccc(F)c(F)c1 ZINC000000164811 93/03/82/342930382 BNPWVUJOPCGHIK-UHFFFAOYSA-N 0 130.093 AD 1.67 0 Anodyne ref ADAARN Oc1ccc(F)c(F)c1 Nc1cc(F)cc(F)c1 ZINC000000164838 28/63/02/169286302 KQOIBXZRCYFZSO-UHFFFAOYSA-N 0 129.109 AD 1.547 0 Anodyne ref ADAARN Nc1cc(F)cc(F)c1 in-vivo Oc1cccc(F)c1 ZINC000000164911 93/05/17/342930517 SJTBRFHBXDZMPS-UHFFFAOYSA-N -1 112.103 AD 1.531 3 Anodyne high ADAAHM [O-]c1cccc(F)c1 Oc1cccc(F)c1 ZINC000000164911 93/05/16/342930516 SJTBRFHBXDZMPS-UHFFFAOYSA-N 0 112.103 AD 1.531 0 Anodyne ref ADAARN Oc1cccc(F)c1 Nc1ccc(OC(F)F)cc1 ZINC000000167204 29/22/93/169292293 NDEZTSHWEPQVBX-UHFFFAOYSA-N 0 159.135 AD 1.87 0 Clean ref ADCARN Nc1ccc(OC(F)F)cc1 Cc1cc(C)n2ncc(C(=O)O)c2n1 ZINC000000184233 74/94/83/168749483 UWWGTDIBDPROEH-UHFFFAOYSA-N -1 191.19 AD 1.044 0 Anodyne ref ADAARM Cc1cc(C)n2ncc(C(=O)[O-])c2n1 Nc1nnc(-c2ccncc2)s1 ZINC000000193395 31/08/60/169310860 KTWDTPBHCWJWGJ-UHFFFAOYSA-N 0 178.22 AD 1.182 0 Anodyne ref ADAARN Nc1nnc(-c2ccncc2)s1 COc1ccc(C(=O)O)cc1F ZINC000000225404 24/53/24/168245324 HYNNNQDQEORWEU-UHFFFAOYSA-N -1 170.139 AD 1.532 0 Anodyne ref ADAARM COc1ccc(C(=O)[O-])cc1F CCOc1ccc(CC(=O)O)cc1 ZINC000000225417 41/63/03/167416303 ZVVWZNFSMIFGEP-UHFFFAOYSA-N -1 180.203 AD 1.712 0 Anodyne ref ADAARM CCOc1ccc(CC(=O)[O-])cc1 in-vitro COC(=O)[C@H](C)Nc1ccccc1 ZINC000000244090 11/64/63/168116463 RBAUAHIPDXKQJI-QMMMGPOBSA-N 0 179.219 AD 1.66 0 Anodyne ref ADAARN COC(=O)[C@H](C)Nc1ccccc1 COC(=O)[C@@H](C)Nc1ccccc1 ZINC000000244091 10/61/92/168106192 RBAUAHIPDXKQJI-MRVPVSSYSA-N 0 179.219 AD 1.66 0 Anodyne ref ADAARN COC(=O)[C@@H](C)Nc1ccccc1 COC(=O)[C@@H](C)Nc1ccc(C)cc1 ZINC000000244098 10/58/91/168105891 HMALPGPQEAWBKH-SECBINFHSA-N 0 193.246 AD 1.968 0 Anodyne ref ADAARN COC(=O)[C@@H](C)Nc1ccc(C)cc1 C[C@]12CC3(N)CC(O)(C1)C[C@@](C)(C3)C2 ZINC000000246606 93/21/01/342932101 HSRBAOBUCHCHTQ-ZYANWLCNSA-N 1 195.306 AD 1.809 0 Anodyne ref ADAARO C[C@]12CC3([NH3+])CC(O)(C1)C[C@@](C)(C3)C2 world NC12C[C@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 ZINC000000248755 17/02/56/169170256 ZBPOKYGSYKBAAW-JZVMUCMXSA-N 0 195.262 AD 1.369 2 Anodyne low ADAALN [NH3+]C12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2 CC(C)n1cc(C(=O)O)cn1 ZINC000000279972 93/28/81/342932881 VGEBYDKBJHWBGS-UHFFFAOYSA-N -1 154.169 AD 1.162 0 Anodyne ref ADAARM CC(C)n1cc(C(=O)[O-])cn1 Cc1cccc(C(=O)O)c1 ZINC000000330142 86/26/51/168862651 GPSDUZXPYCFOSQ-UHFFFAOYSA-N -1 136.15 AD 1.693 0 Anodyne ref ADAARM Cc1cccc(C(=O)[O-])c1 in-vitro N#Cc1ccc(Br)cn1 ZINC000000330869 12/01/25/169120125 DMSHUVBQFSNBBL-UHFFFAOYSA-N 0 183.008 AD 1.716 0 Mild ref ADEARN N#Cc1ccc(Br)cn1 in-vitro COc1cc(C)c(C=O)cc1OC ZINC000000336943 22/91/18/168229118 RMIZEUOAFVZZJG-UHFFFAOYSA-N 0 180.203 AD 1.825 0 Anodyne ref ADAARN COc1cc(C)c(C=O)cc1OC O=C(O)c1cc2ccccc2[nH]c1=O ZINC000000343467 35/68/66/169356866 XOQQVKDBGLYPGH-UHFFFAOYSA-N -1 189.17 AD 1.226 0 Anodyne ref ADAARM O=C([O-])c1cc2ccccc2[nH]c1=O Nc1ccc(Cl)cc1N ZINC000000388066 93/57/26/342935726 BXIXXXYDDJVHDL-UHFFFAOYSA-N 0 142.589 AD 1.504 0 Anodyne ref ADAARN Nc1ccc(Cl)cc1N in-vitro Cc1cc(O)ccc1O ZINC000000388086 93/55/42/342935542 CNHDIAIOKMXOLK-UHFFFAOYSA-N 0 124.139 AD 1.406 0 Anodyne ref ADAARN Cc1cc(O)ccc1O in-vitro biogenic CC1(C)CC(N)CC(C)(C)N1 ZINC000000388102 93/55/28/342935528 FTVFPPFZRRKJIH-UHFFFAOYSA-N 1 156.273 AD 1.254 3 Anodyne high ADAAHO CC1(C)CC([NH3+])CC(C)(C)N1 CC1(C)CC(N)CC(C)(C)N1 ZINC000000388102 93/55/27/342935527 FTVFPPFZRRKJIH-UHFFFAOYSA-N 1 156.273 AD 1.254 3 Anodyne high ADAAHO CC1(C)CC(N)CC(C)(C)[NH2+]1 CC1(C)CC(N)CC(C)(C)N1 ZINC000000388102 93/55/26/342935526 FTVFPPFZRRKJIH-UHFFFAOYSA-N 2 156.273 AD 1.254 0 Anodyne ref ADAARP CC1(C)CC([NH3+])CC(C)(C)[NH2+]1 CC(C)CC(=O)O ZINC000000388188 27/73/08/351277308 GWYFCOCPABKNJV-UHFFFAOYSA-N -1 102.133 AD 1.117 0 Anodyne ref ADAARM CC(C)CC(=O)[O-] in-man endogenous CNc1ccc(O)cc1 ZINC000000388191 93/57/12/342935712 ZFIQGRISGKSVAG-UHFFFAOYSA-N 1 123.155 AD 1.434 2 Anodyne low ADAALO C[NH2+]c1ccc(O)cc1 in-vitro CNc1ccc(O)cc1 ZINC000000388191 93/57/10/342935710 ZFIQGRISGKSVAG-UHFFFAOYSA-N 0 123.155 AD 1.434 0 Anodyne ref ADAARN CNc1ccc(O)cc1 in-vitro COc1ccccc1OC ZINC000000388251 93/55/97/342935597 ABDKAPXRBAPSQN-UHFFFAOYSA-N 0 138.166 AD 1.704 0 Anodyne ref ADAARN COc1ccccc1OC in-man endogenous N#CCc1cccs1 ZINC000000388254 10/35/66/169103566 CLSHQIDDCJTHAJ-UHFFFAOYSA-N 0 123.18 AD 1.814 0 Mild ref ADEARN N#CCc1cccs1 in-vitro N#Cc1cccc(N)c1 ZINC000000388409 12/48/16/169124816 NJXPYZHXZZCTNI-UHFFFAOYSA-N 0 118.139 AD 1.14 0 Mild ref ADEARN N#Cc1cccc(N)c1 in-vitro COc1ccccc1C(=O)O ZINC000000388432 41/09/93/574410993 ILUJQPXNXACGAN-UHFFFAOYSA-N -1 152.149 AD 1.393 0 Anodyne ref ADAARM COc1ccccc1C(=O)[O-] in-man endogenous CCOC(=O)C1CCC(=O)CC1 ZINC000000388458 27/68/87/351276887 ZXYAWONOWHSQRU-UHFFFAOYSA-N 0 170.208 AD 1.309 0 Anodyne ref ADAARN CCOC(=O)C1CCC(=O)CC1 in-vitro O=C(O)Cc1ccccc1 ZINC000000388462 34/39/31/169343931 WLJVXDMOQOGPHL-UHFFFAOYSA-N -1 136.15 AD 1.314 0 Anodyne ref ADAARM O=C([O-])Cc1ccccc1 fda endogenous O=C(O)C1CCCC1 ZINC000000388464 33/64/59/169336459 JBDSSBMEKXHSJF-UHFFFAOYSA-N -1 114.144 AD 1.261 0 Anodyne ref ADAARM O=C([O-])C1CCCC1 in-vitro O=C(O)Cc1ccc(F)c(F)c1 ZINC000000388532 93/60/04/342936004 YCAKYFIYUHHCKW-UHFFFAOYSA-N -1 172.13 AD 1.592 0 Anodyne ref ADAARM O=C([O-])Cc1ccc(F)c(F)c1 COc1ccc(CCN)cc1OC ZINC000000388739 24/92/14/168249214 ANOUKFYBOAKOIR-UHFFFAOYSA-N 1 181.235 AD 1.205 0 Anodyne ref ADAARO COc1ccc(CC[NH3+])cc1OC investigational endogenous NCCc1ccc(F)cc1 ZINC000000389721 19/80/49/169198049 CKLFJWXRWIQYOC-UHFFFAOYSA-N 1 139.173 AD 1.327 0 Anodyne ref ADAARO [NH3+]CCc1ccc(F)cc1 CC(=O)Nc1cccc(F)c1 ZINC000000389744 93/59/43/342935943 AQLLDCFUQXGLHM-UHFFFAOYSA-N 0 153.156 AD 1.784 0 Anodyne ref ADAARN CC(=O)Nc1cccc(F)c1 COc1ccc(CCN)cc1 ZINC000000391188 24/96/04/168249604 LTPVSOCPYWDIFU-UHFFFAOYSA-N 1 151.209 AD 1.196 0 Anodyne ref ADAARO COc1ccc(CC[NH3+])cc1 in-vitro CCOC(=O)c1ccccn1 ZINC000000391889 37/12/45/167371245 FQYYIPZPELSLDK-UHFFFAOYSA-N 0 151.165 AD 1.258 0 Anodyne ref ADAARN CCOC(=O)c1ccccn1 in-vitro COC(=O)c1ccc(C)cc1 ZINC000000391965 12/98/42/168129842 QSSJZLPUHJDYKF-UHFFFAOYSA-N 0 150.177 AD 1.782 0 Anodyne ref ADAARN COC(=O)c1ccc(C)cc1 Cc1cc(N)ccc1F ZINC000000394668 76/66/93/168766693 NYMDPDNETOLVBS-UHFFFAOYSA-N 0 125.146 AD 1.716 0 Anodyne ref ADAARN Cc1cc(N)ccc1F COC(=O)Cc1ccc(O)cc1 ZINC000000395674 09/74/96/168097496 XGDZEDRBLVIUMX-UHFFFAOYSA-N 0 166.176 AD 1.108 0 Anodyne ref ADAARN COC(=O)Cc1ccc(O)cc1 in-vitro biogenic Clc1ccncc1 ZINC000000402776 02/65/57/169026557 PVMNPAUTCMBOMO-UHFFFAOYSA-N 0 113.547 AD 1.735 0 Anodyne ref ADAARN Clc1ccncc1 NCc1cc(F)cc(F)c1 ZINC000000403169 22/02/39/169220239 VJNGGOMRUHYAMC-UHFFFAOYSA-N 0 143.136 AD 1.423 3 Anodyne high ADAAHN NCc1cc(F)cc(F)c1 NCc1cc(F)cc(F)c1 ZINC000000403169 22/02/38/169220238 VJNGGOMRUHYAMC-UHFFFAOYSA-N 1 143.136 AD 1.423 0 Anodyne ref ADAARO [NH3+]Cc1cc(F)cc(F)c1 F[n+]1ccccc1-c1cccc[n+]1F ZINC000000403261 99/56/47/170995647 VWXNMFVNVKSKOB-UHFFFAOYSA-N 2 194.184 AD 1.394 0 Anodyne ref ADAARP F[n+]1ccccc1-c1cccc[n+]1F COc1ccc(Br)cn1 ZINC000000403318 24/48/72/168244872 XADICJHFELMBGX-UHFFFAOYSA-N 0 188.024 AD 1.853 0 Anodyne ref ADAARN COc1ccc(Br)cn1 O=C(O)c1cc(Cl)ccc1O ZINC000000404337 35/67/14/169356714 NKBASRXWGAGQDP-UHFFFAOYSA-N -1 172.567 AD 1.744 0 Anodyne ref ADAARM O=C([O-])c1cc(Cl)ccc1O in-vivo CCOC(=O)c1ccccc1 ZINC000000404389 37/27/67/167372767 MTZQAGJQAFMTAQ-UHFFFAOYSA-N 0 150.177 AD 1.863 0 Anodyne ref ADAARN CCOC(=O)c1ccccc1 in-man endogenous N#CCc1cccc(F)c1 ZINC000000404417 10/42/19/169104219 DEJPYROXSVVWIE-UHFFFAOYSA-N 0 135.141 AD 1.892 0 Mild ref ADEARN N#CCc1cccc(F)c1 NCc1ccc(Br)cc1 ZINC000000404752 22/25/05/169222505 XRNVSPDQTPVECU-UHFFFAOYSA-N 1 186.052 AD 1.908 0 Anodyne ref ADAARO [NH3+]Cc1ccc(Br)cc1 in-vitro Oc1cc(F)cc(F)c1 ZINC000000406989 28/03/49/351280349 HJSSBIMVTMYKPD-UHFFFAOYSA-N -1 130.093 AD 1.67 1 Anodyne mid ADAAMM [O-]c1cc(F)cc(F)c1 in-vivo Oc1cc(F)cc(F)c1 ZINC000000406989 28/03/45/351280345 HJSSBIMVTMYKPD-UHFFFAOYSA-N 0 130.093 AD 1.67 0 Anodyne ref ADAARN Oc1cc(F)cc(F)c1 in-vivo N#Cc1cccc(F)c1 ZINC000000407069 12/46/56/169124656 JZTPKAROPNTQQV-UHFFFAOYSA-N 0 121.114 AD 1.697 0 Mild ref ADEARN N#Cc1cccc(F)c1 O=C(O)c1cccc(F)c1F ZINC000000409195 35/85/96/169358596 JLZVIWSFUPLSOR-UHFFFAOYSA-N -1 158.103 AD 1.663 0 Anodyne ref ADAARM O=C([O-])c1cccc(F)c1F Oc1cccc(F)c1F ZINC000000409209 93/92/46/342939246 RPEPGIOVXBBUMJ-UHFFFAOYSA-N -1 130.093 AD 1.67 1 Anodyne mid ADAAMM [O-]c1cccc(F)c1F