COC(=O)c1ccccc1O ZINC000000000490 13/34/55/168133455 OSWPMRLSEDHDFF-UHFFFAOYSA-N 0 152.149 AD 1.179 0 Anodyne ref ADAARN COC(=O)c1ccccc1O in-man endogenous CCOC(=O)c1ccc(O)cc1 ZINC000000001392 37/14/82/167371482 NUVBSKCKDOMJSU-UHFFFAOYSA-N -1 166.176 AD 1.569 3 Anodyne high ADAAHM CCOC(=O)c1ccc([O-])cc1 in-man endogenous CCOC(=O)c1ccc(O)cc1 ZINC000000001392 37/14/78/167371478 NUVBSKCKDOMJSU-UHFFFAOYSA-N 0 166.176 AD 1.569 0 Anodyne ref ADAARN CCOC(=O)c1ccc(O)cc1 in-man endogenous CC1OC(C)OC(C)O1 ZINC000000001886 92/36/49/342923649 SQYNKIJPMDEDEG-UHFFFAOYSA-N 0 132.159 AD 1.088 0 Anodyne ref ADAARN CC1OC(C)OC(C)O1 world endogenous CCC(=O)c1ccc(O)cc1 ZINC000000001890 92/37/01/342923701 RARSHUDCJQSEFJ-UHFFFAOYSA-N -1 150.177 AD 1.985 1 Anodyne mid ADAAMM CCC(=O)c1ccc([O-])cc1 world CCC(=O)c1ccc(O)cc1 ZINC000000001890 92/36/99/342923699 RARSHUDCJQSEFJ-UHFFFAOYSA-N 0 150.177 AD 1.985 0 Anodyne ref ADAARN CCC(=O)c1ccc(O)cc1 world O=c1oc2cc(O)ccc2s1 ZINC000000002181 92/36/23/342923623 SLYPOVJCSQHITR-UHFFFAOYSA-N 0 168.173 AD 1.56 1 Anodyne mid ADAAMN O=c1oc2cc(O)ccc2s1 world O=c1oc2cc(O)ccc2s1 ZINC000000002181 92/36/22/342923622 SLYPOVJCSQHITR-UHFFFAOYSA-N -1 168.173 AD 1.56 0 Anodyne ref ADAARM O=c1oc2cc([O-])ccc2s1 world Clc1cccc(N2CCNCC2)c1 ZINC000000004285 17/77/61/132177761 VHFVKMTVMIZMIK-UHFFFAOYSA-N 0 196.681 AD 1.75 3 Anodyne high ADAAHN Clc1cccc(N2CCNCC2)c1 world Clc1cccc(N2CCNCC2)c1 ZINC000000004285 17/77/60/132177760 VHFVKMTVMIZMIK-UHFFFAOYSA-N 0 196.681 AD 1.75 0 Anodyne ref ADAARN Clc1cccc(N2CC[NH2+]CC2)c1 world Oc1cccc2cccnc12 ZINC000000008492 26/79/40/351267940 MCJGNVYPOGVAJF-UHFFFAOYSA-N 0 145.161 AD 1.94 0 Anodyne ref ADAARN Oc1cccc2cccnc12 fda metabolite COc1ccccc1N1CCNCC1 ZINC000000012687 07/23/28/537072328 VNZLQLYBRIOLFZ-UHFFFAOYSA-N 0 192.262 AD 1.105 3 Anodyne high ADAAHN COc1ccccc1N1CCNCC1 in-vivo COc1ccccc1N1CCNCC1 ZINC000000012687 07/23/18/537072318 VNZLQLYBRIOLFZ-UHFFFAOYSA-N 1 192.262 AD 1.105 0 Anodyne ref ADAARO COc1ccccc1N1CC[NH2+]CC1 in-vivo COC(=O)c1ccc(C=O)cc1 ZINC000000016592 13/08/70/168130870 FEIOASZZURHTHB-UHFFFAOYSA-N 0 164.16 AD 1.286 0 Anodyne ref ADAARN COC(=O)c1ccc(C=O)cc1 in-vitro biogenic O=C1NC(=O)c2cccc3cccc1c23 ZINC000000024215 38/49/61/169384961 XJHABGPPCLHLLV-UHFFFAOYSA-N -1 197.193 AD 1.723 3 Anodyne high ADAAHM O=C1[N-]C(=O)c2cccc3cccc1c23 in-vitro O=C1NC(=O)c2cccc3cccc1c23 ZINC000000024215 38/49/59/169384959 XJHABGPPCLHLLV-UHFFFAOYSA-N 0 197.193 AD 1.723 0 Anodyne ref ADAARN O=C1NC(=O)c2cccc3cccc1c23 in-vitro COc1cc(OC)c(C=O)c(OC)c1 ZINC000000032312 23/87/15/168238715 CRBZVDLXAIFERF-UHFFFAOYSA-N 0 196.202 AD 1.525 0 Anodyne ref ADAARN COc1cc(OC)c(C=O)c(OC)c1 in-vitro biogenic Cc1n[nH]c(C)c1Cl ZINC000000035825 92/38/43/168923843 JGTUBTJLRQIMAB-UHFFFAOYSA-N 0 130.578 AD 1.68 0 Anodyne ref ADAARN Cc1n[nH]c(C)c1Cl O=C(O)c1ccc2nccnc2c1 ZINC000000037412 92/46/22/342924622 JGQDBVXRYDEWGM-UHFFFAOYSA-N -1 174.159 AD 1.328 0 Anodyne ref ADAARM O=C([O-])c1ccc2nccnc2c1 in-vitro CC(=O)c1ccc(O)cc1O ZINC000000038028 32/43/47/166324347 SULYEHHGGXARJS-UHFFFAOYSA-N -1 152.149 AD 1.3 1 Anodyne mid ADAAMM CC(=O)c1ccc([O-])cc1O in-man endogenous CC(=O)c1ccc(O)cc1O ZINC000000038028 32/43/40/166324340 SULYEHHGGXARJS-UHFFFAOYSA-N 0 152.149 AD 1.3 0 Anodyne ref ADAARN CC(=O)c1ccc(O)cc1O in-man endogenous O=Cc1nc2ccccc2[nH]1 ZINC000000039036 26/86/22/351268622 DQOSJWYZDQIMGM-UHFFFAOYSA-N 0 146.149 AD 1.375 0 Anodyne ref ADAARN O=Cc1nc2ccccc2[nH]1 in-vitro Nc1ccc(N2CCCC2=O)cc1 ZINC000000039083 29/31/31/169293131 IOMOVAPYJQVJDK-UHFFFAOYSA-N 0 176.219 AD 1.396 0 Clean ref ADCARN Nc1ccc(N2CCCC2=O)cc1 Nc1cnc2ccccc2c1 ZINC000000039224 30/13/23/169301323 SVNCRRZKBNSMIV-UHFFFAOYSA-N 0 144.177 AD 1.817 0 Anodyne ref ADAARN Nc1cnc2ccccc2c1 in-vitro CCCc1cc(C(=O)O)[nH]n1 ZINC000000039600 10/01/43/167100143 QYPSYPPSHXDFLV-UHFFFAOYSA-N -1 154.169 AD 1.06 0 Anodyne ref ADAARM CCCc1cc(C(=O)[O-])n[nH]1 in-vivo O=Cc1cc(Cl)c2c(c1)OCO2 ZINC000000039642 26/80/01/351268001 SFBUWLLIFJURHG-UHFFFAOYSA-N 0 184.578 AD 1.881 0 Anodyne ref ADAARN O=Cc1cc(Cl)c2c(c1)OCO2 CCCc1cc(C(=O)O)n(C)n1 ZINC000000039727 10/09/21/167100921 KOABFSONXOOIIH-UHFFFAOYSA-N -1 168.196 AD 1.071 0 Anodyne ref ADAARM CCCc1cc(C(=O)[O-])n(C)n1 in-vitro COc1ccc(-c2nnc(N)o2)cc1 ZINC000000043879 24/29/51/168242951 IEJVXWOVBNWQCY-UHFFFAOYSA-N 0 191.19 AD 1.327 0 Anodyne ref ADAARN COc1ccc(-c2nnc(N)o2)cc1 O=C1CSc2ccccc2N1 ZINC000000050222 38/01/92/169380192 GTFMIJNXNMDHAB-UHFFFAOYSA-N 0 165.217 AD 1.731 0 Anodyne ref ADAARN O=C1CSc2ccccc2N1 N[C@H](CC(=O)O)c1ccc(Cl)cc1 ZINC000000050678 26/35/91/169263591 BXGDBHAMTMMNTO-MRVPVSSYSA-N 0 199.637 AD 1.815 0 Anodyne ref ADAARN [NH3+][C@H](CC(=O)[O-])c1ccc(Cl)cc1 N[C@@H](CC(=O)O)c1ccc(Cl)cc1 ZINC000000050679 24/31/69/169243169 BXGDBHAMTMMNTO-QMMMGPOBSA-N 0 199.637 AD 1.815 0 Anodyne ref ADAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(Cl)cc1 COC(=O)CCN1CCCCC1 ZINC000000050803 08/71/65/168087165 ANAJGIRVGQSWEN-UHFFFAOYSA-N 1 171.24 AD 1.035 0 Anodyne ref ADAARO COC(=O)CC[NH+]1CCCCC1 Cc1cc(C)c(C(N)=O)c(Cl)n1 ZINC000000053859 92/51/20/342925120 NNBAGQPBTCYTKF-UHFFFAOYSA-N 0 184.626 AD 1.451 0 Anodyne ref ADAARN Cc1cc(C)c(C(N)=O)c(Cl)n1 O=Cc1ccccc1C(=O)O ZINC000000056413 92/48/49/342924849 DYNFCHNNOHNJFG-UHFFFAOYSA-N -1 150.133 AD 1.197 0 Anodyne ref ADAARM O=Cc1ccccc1C(=O)[O-] in-vitro COc1ccc2[nH]cc(CCN)c2c1 ZINC000000057163 92/53/96/342925396 JTEJPPKMYBDEMY-UHFFFAOYSA-N 1 190.246 AD 1.678 0 Anodyne ref ADAARO COc1ccc2[nH]cc(CC[NH3+])c2c1 investigational endogenous O=c1ccc2ccc(O)c(O)c2o1 ZINC000000057753 26/98/02/351269802 ATEFPOUAMCWAQS-UHFFFAOYSA-N -1 178.143 AD 1.204 3 Clean high ADCAHM O=c1ccc2ccc([O-])c(O)c2o1 in-vitro biogenic O=c1ccc2ccc(O)c(O)c2o1 ZINC000000057753 26/97/95/351269795 ATEFPOUAMCWAQS-UHFFFAOYSA-N 0 178.143 AD 1.204 0 Clean ref ADCARN O=c1ccc2ccc(O)c(O)c2o1 in-vitro biogenic O=c1ccc2cc(O)c(O)cc2o1 ZINC000000057908 26/90/81/351269081 ILEDWLMCKZNDJK-UHFFFAOYSA-N -1 178.143 AD 1.204 1 Clean mid ADCAMM O=c1ccc2cc(O)c([O-])cc2o1 in-man endogenous O=c1ccc2cc(O)c(O)cc2o1 ZINC000000057908 26/90/77/351269077 ILEDWLMCKZNDJK-UHFFFAOYSA-N 0 178.143 AD 1.204 0 Clean ref ADCARN O=c1ccc2cc(O)c(O)cc2o1 in-man endogenous Cn1nc(C(=O)O)c2ccccc21 ZINC000000058277 06/21/51/169062151 OVVDFORZEGKEJM-UHFFFAOYSA-N -1 176.175 AD 1.272 0 Anodyne ref ADAARM Cn1nc(C(=O)[O-])c2ccccc21 in-vitro Nc1nnc(-c2ccccc2F)s1 ZINC000000063851 31/08/59/169310859 COIYYVXYSKVNIO-UHFFFAOYSA-N 0 195.222 AD 1.926 0 Anodyne ref ADAARN Nc1nnc(-c2ccccc2F)s1 C[C@H](N)c1nc2ccccc2[nH]1 ZINC000000065084 92/53/33/342925333 NXSULSSADMIWQD-LURJTMIESA-N 0 161.208 AD 1.583 3 Anodyne high ADAAHN C[C@H](N)c1nc2ccccc2[nH]1 C[C@H](N)c1nc2ccccc2[nH]1 ZINC000000065084 92/53/30/342925330 NXSULSSADMIWQD-LURJTMIESA-N 1 161.208 AD 1.583 0 Anodyne ref ADAARO C[C@H]([NH3+])c1nc2ccccc2[nH]1 COc1cccc(N2CCNCC2)c1 ZINC000000066034 12/56/93/537125693 PZIBVWUXWNYTNL-UHFFFAOYSA-N 0 192.262 AD 1.105 3 Anodyne high ADAAHN COc1cccc(N2CCNCC2)c1 COc1cccc(N2CCNCC2)c1 ZINC000000066034 12/56/89/537125689 PZIBVWUXWNYTNL-UHFFFAOYSA-N 1 192.262 AD 1.105 0 Anodyne ref ADAARO COc1cccc(N2CC[NH2+]CC2)c1 Cc1cccc(N2CCNCC2)c1C ZINC000000066069 17/82/82/132178282 LIKXJDINUMWKQA-UHFFFAOYSA-N 0 190.29 AD 1.713 3 Anodyne high ADAAHN Cc1cccc(N2CCNCC2)c1C Cc1cccc(N2CCNCC2)c1C ZINC000000066069 17/82/78/132178278 LIKXJDINUMWKQA-UHFFFAOYSA-N 1 190.29 AD 1.713 0 Anodyne ref ADAARO Cc1cccc(N2CC[NH2+]CC2)c1C COc1nc(C)cc(C)c1C#N ZINC000000075099 28/27/90/168282790 WEJLKGQPSKTCBR-UHFFFAOYSA-N 0 162.192 AD 1.579 0 Mild ref ADEARN COc1nc(C)cc(C)c1C#N Cc1cc(O)c(-c2ccn[nH]2)c(=O)o1 ZINC000000075847 92/60/18/342926018 PTFCNBWCZAMULF-UHFFFAOYSA-N 0 192.174 AD 1.044 1 Anodyne mid ADAAMN Cc1cc(O)c(-c2cc[nH]n2)c(=O)o1 Cc1cc(O)c(-c2ccn[nH]2)c(=O)o1 ZINC000000075847 92/60/14/342926014 PTFCNBWCZAMULF-UHFFFAOYSA-N -1 192.174 AD 1.044 0 Anodyne ref ADAARM Cc1cc([O-])c(-c2cc[nH]n2)c(=O)o1 O=c1ccc(-c2cccs2)n[nH]1 ZINC000000078707 26/97/17/351269717 LBFRUJCPJHRZLS-UHFFFAOYSA-N 0 178.216 AD 1.498 0 Anodyne ref ADAARN O=c1ccc(-c2cccs2)n[nH]1 NCCc1nc2ccccc2[nH]1 ZINC000000080438 20/08/47/169200847 GJEPMYMUORZPMP-UHFFFAOYSA-N 1 161.208 AD 1.064 0 Anodyne ref ADAARO [NH3+]CCc1nc2ccccc2[nH]1 Cc1ccccc1NN ZINC000000085252 92/65/71/342926571 SCZGZDLUGUYLRV-UHFFFAOYSA-N 0 122.171 AD 1.281 0 Anodyne ref ADAARN Cc1ccccc1NN NNc1ccc(Br)cc1 ZINC000000088596 23/74/66/169237466 NRESDXFFSNBDGP-UHFFFAOYSA-N 0 187.04 AD 1.735 0 Anodyne ref ADAARN NNc1ccc(Br)cc1 CCCn1ncc(C(=O)O)c1C ZINC000000094619 12/49/25/167124925 PIOSFPCYOZWBLH-UHFFFAOYSA-N -1 168.196 AD 1.3 0 Anodyne ref ADAARM CCCn1ncc(C(=O)[O-])c1C Cc1cc2ncc(C(=O)O)c(C)n2n1 ZINC000000095795 92/64/68/342926468 CACYYYIWDACOAQ-UHFFFAOYSA-N -1 191.19 AD 1.044 0 Anodyne ref ADAARM Cc1cc2ncc(C(=O)[O-])c(C)n2n1 Nc1ccc(-c2csnn2)cc1 ZINC000000106274 28/99/90/169289990 QDRVSMARQRMSOU-UHFFFAOYSA-N 0 177.232 AD 1.787 0 Anodyne ref ADAARN Nc1ccc(-c2csnn2)cc1 Nc1nnc(-c2ccccc2O)s1 ZINC000000108522 31/09/52/169310952 HZGMYJKHGDYTGS-UHFFFAOYSA-N -1 193.231 AD 1.493 3 Anodyne high ADAAHM Nc1nnc(-c2ccccc2[O-])s1 Nc1nnc(-c2ccccc2O)s1 ZINC000000108522 31/09/50/169310950 HZGMYJKHGDYTGS-UHFFFAOYSA-N 0 193.231 AD 1.493 0 Anodyne ref ADAARN Nc1nnc(-c2ccccc2O)s1 COc1ccc(OCCC(=O)O)cc1 ZINC000000110481 25/69/54/168256954 SGTCAUQLJIKBMM-UHFFFAOYSA-N -1 196.202 AD 1.549 0 Anodyne ref ADAARM COc1ccc(OCCC(=O)[O-])cc1 O=C(O)c1cccc(N2CCCC2)c1 ZINC000000112514 35/87/19/169358719 HRVWGEKZONYEMK-UHFFFAOYSA-N -1 191.23 AD 1.985 0 Anodyne ref ADAARM O=C([O-])c1cccc(N2CCCC2)c1 COC(=O)c1nc2ccccn2c1F ZINC000000116705 13/71/88/168137188 XPFMBPZXBGQIIM-UHFFFAOYSA-N 0 194.165 AD 1.26 0 Anodyne ref ADAARN COC(=O)c1nc2ccccn2c1F O=C(O)COc1ccccc1Cl ZINC000000117582 34/16/88/169341688 OPQYFNRLWBWCST-UHFFFAOYSA-N -1 186.594 AD 1.803 0 Anodyne ref ADAARM O=C([O-])COc1ccccc1Cl CCOC(=O)c1cc(C)on1 ZINC000000118737 36/86/75/167368675 OCCIGHIQVMLYBZ-UHFFFAOYSA-N 0 155.153 AD 1.16 0 Anodyne ref ADAARN CCOC(=O)c1cc(C)on1 CCOC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000000118764 36/96/44/167369644 RCXMILPYEKVQLB-UHFFFAOYSA-N 0 196.25 AD 1.884 0 Anodyne ref ADAARN CCOC(=O)c1cc(C(C)(C)C)[nH]n1 NCc1nc2ccccc2[nH]1 ZINC000000119677 23/02/71/169230271 UCOSRTUSVXHIMK-UHFFFAOYSA-N 0 147.181 AD 1.022 1 Anodyne mid ADAAMN NCc1nc2ccccc2[nH]1 NCc1nc2ccccc2[nH]1 ZINC000000119677 23/02/69/169230269 UCOSRTUSVXHIMK-UHFFFAOYSA-N 1 147.181 AD 1.022 0 Anodyne ref ADAARO [NH3+]Cc1nc2ccccc2[nH]1 CCOC(=O)CCN1CCCCC1 ZINC000000119836 33/04/43/167330443 MPAWVDTVWPPKJQ-UHFFFAOYSA-N 0 185.267 AD 1.426 3 Anodyne high ADAAHN CCOC(=O)CCN1CCCCC1 CCOC(=O)CCN1CCCCC1 ZINC000000119836 33/04/37/167330437 MPAWVDTVWPPKJQ-UHFFFAOYSA-N 1 185.267 AD 1.426 0 Anodyne ref ADAARO CCOC(=O)CC[NH+]1CCCCC1 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 Cc1nc2ccccc2n1CC(=O)O ZINC000000120274 92/71/66/342927166 SMGBDFGKVGSCGB-UHFFFAOYSA-N 0 190.202 AD 1.429 2 Anodyne low ADAALN Cc1[nH+]c2ccccc2n1CC(=O)[O-] Cc1nc2ccccc2n1CC(=O)O ZINC000000120274 92/71/65/342927165 SMGBDFGKVGSCGB-UHFFFAOYSA-N -1 190.202 AD 1.429 0 Anodyne ref ADAARM Cc1nc2ccccc2n1CC(=O)[O-] CC(=O)c1sc(N)nc1C ZINC000000122671 33/52/53/166335253 PKUKCASRNJIQNU-UHFFFAOYSA-N 0 156.21 AD 1.236 0 Anodyne ref ADAARN CC(=O)c1sc(N)nc1C c1ccc(CC2=NCCN2)cc1 ZINC000000125006 92/72/24/342927224 JIVZKJJQOZQXQB-UHFFFAOYSA-N 1 160.22 AD 1.231 0 Anodyne ref ADAARO c1ccc(CC2=[NH+]CCN2)cc1 world COC(=O)CNc1ccccc1 ZINC000000128694 09/33/38/168093338 SZJUWKPNWWCOPG-UHFFFAOYSA-N 0 165.192 AD 1.272 0 Anodyne ref ADAARN COC(=O)CNc1ccccc1 CCc1ccc(C(=O)O)cc1 ZINC000000132913 73/20/38/167732038 ZQVKTHRQIXSMGY-UHFFFAOYSA-N -1 150.177 AD 1.947 0 Anodyne ref ADAARM CCc1ccc(C(=O)[O-])cc1 in-man biogenic COc1cccc([C@@H](C#N)C=O)c1 ZINC000000133489 27/07/72/168270772 AITHGEJVZFFXRB-VIFPVBQESA-N 0 175.187 AD 1.501 0 Mild ref ADEARN COc1cccc([C@@H](C#N)C=O)c1 N[C@H](CC(=O)O)c1ccc(F)cc1 ZINC000000140709 26/31/61/169263161 CPGFMWPQXUXQRX-MRVPVSSYSA-N 0 183.182 AD 1.3 0 Anodyne ref ADAARN [NH3+][C@H](CC(=O)[O-])c1ccc(F)cc1 N[C@@H](CC(=O)O)c1ccc(F)cc1 ZINC000000140710 24/31/15/169243115 CPGFMWPQXUXQRX-QMMMGPOBSA-N 0 183.182 AD 1.3 0 Anodyne ref ADAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(F)cc1 Cn1c(C(=O)O)cc2ccccc21 ZINC000000142380 03/13/63/169031363 MAHAMBLNIDMREX-UHFFFAOYSA-N -1 175.187 AD 1.876 0 Anodyne ref ADAARM Cn1c(C(=O)[O-])cc2ccccc21 in-vitro biogenic CC(=O)Nc1cccnc1 ZINC000000152540 28/60/61/166286061 JVYIBLHBCPSTKF-UHFFFAOYSA-N 0 136.154 AD 1.04 0 Anodyne ref ADAARN CC(=O)Nc1cccnc1 Nc1ccc(Cl)c(C(=O)O)c1 ZINC000000152575 92/85/68/342928568 GVCFFVPEOLCYNN-UHFFFAOYSA-N -1 171.583 AD 1.62 0 Anodyne ref ADAARM Nc1ccc(Cl)c(C(=O)[O-])c1 CC(=O)Nc1ccc(N)cc1 ZINC000000152946 28/43/12/166284312 CHMBIJAOCISYEW-UHFFFAOYSA-N 0 150.181 AD 1.227 0 Clean ref ADCARN CC(=O)Nc1ccc(N)cc1 COc1ccc(Cl)nn1 ZINC000000152973 25/28/50/168252850 XBJLKXOOHLLTPG-UHFFFAOYSA-N 0 144.561 AD 1.139 0 Anodyne ref ADAARN COc1ccc(Cl)nn1 N#Cc1c(N)cccc1F ZINC000000153053 92/85/40/342928540 IQUNZGOZUJITBJ-UHFFFAOYSA-N 0 136.129 AD 1.28 0 Mild ref ADEARN N#Cc1c(N)cccc1F in-vitro Cn1ncc(Cl)c(Cl)c1=O ZINC000000153064 06/56/12/169065612 ACKBTCUMGAHRIE-UHFFFAOYSA-N 0 179.006 AD 1.087 0 Anodyne ref ADAARN Cn1ncc(Cl)c(Cl)c1=O NNc1ccccc1F ZINC000000153109 23/82/69/169238269 PENWGQNPFRRVQI-UHFFFAOYSA-N 0 126.134 AD 1.111 0 Anodyne ref ADAARN NNc1ccccc1F Cc1cccc(NN)c1 ZINC000000153125 92/85/37/342928537 GPTOGZLZMLJZCV-UHFFFAOYSA-N 0 122.171 AD 1.281 0 Anodyne ref ADAARN Cc1cccc(NN)c1 NNc1ccc(F)cc1F ZINC000000153133 23/76/94/169237694 RLZUIPTYDYCNQI-UHFFFAOYSA-N 0 144.124 AD 1.25 0 Anodyne ref ADAARN NNc1ccc(F)cc1F Nc1cccc2[nH]ccc12 ZINC000000153904 29/79/46/169297946 LUNUNJFSHKSXGQ-UHFFFAOYSA-N 0 132.166 AD 1.75 0 Anodyne ref ADAARN Nc1cccc2[nH]ccc12 in-vitro CC(C)Oc1ccccc1CN ZINC000000153924 92/85/18/342928518 RJWAKPHKRZMFHG-UHFFFAOYSA-N 0 165.236 AD 1.933 3 Anodyne high ADAAHN CC(C)Oc1ccccc1CN CC(C)Oc1ccccc1CN ZINC000000153924 92/85/17/342928517 RJWAKPHKRZMFHG-UHFFFAOYSA-N 1 165.236 AD 1.933 0 Anodyne ref ADAARO CC(C)Oc1ccccc1C[NH3+] CC(C)Oc1cccc(CN)c1 ZINC000000153925 56/14/19/166561419 YRNFZPXUBVUYBJ-UHFFFAOYSA-N 1 165.236 AD 1.933 0 Anodyne ref ADAARO CC(C)Oc1cccc(C[NH3+])c1 CC(C)(C)OC(=O)N1CCC(=O)CC1 ZINC000000154062 36/93/25/166369325 ROUYFJUVMYHXFJ-UHFFFAOYSA-N 0 199.25 AD 1.586 0 Anodyne ref ADAARN CC(C)(C)OC(=O)N1CCC(=O)CC1 in-vitro N#Cc1ccnc(Cl)c1 ZINC000000154100 12/67/32/169126732 QRXBTPFMCTXCRD-UHFFFAOYSA-N 0 138.557 AD 1.607 0 Mild ref ADEARN N#Cc1ccnc(Cl)c1 Nc1ccc(C(F)(F)F)nc1 ZINC000000154421 29/11/85/169291185 IBOZOWZSXZNIHI-UHFFFAOYSA-N 0 162.114 AD 1.683 0 Anodyne ref ADAARN Nc1ccc(C(F)(F)F)nc1 COc1ccc(C(C)=O)cc1OC ZINC000000154459 24/62/09/168246209 IQZLUWLMQNGTIW-UHFFFAOYSA-N 0 180.203 AD 1.906 0 Anodyne ref ADAARN COc1ccc(C(C)=O)cc1OC in-vitro O=C(O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000154582 34/41/96/169344196 YBADLXQNJCMBKR-UHFFFAOYSA-N -1 181.147 AD 1.222 0 Bother ref ADBARM O=C([O-])Cc1ccc([N+](=O)[O-])cc1 in-vivo CCOC(C)(OCC)OCC ZINC000000154691 37/78/85/167377885 NDQXKKFRNOPRDW-UHFFFAOYSA-N 0 162.229 AD 1.77 0 Anodyne ref ADAARN CCOC(C)(OCC)OCC