Nc1ccc(C(=O)O)cc1 ZINC000000000920 29/11/15/169291115 ALYNCZNDIQEVRV-UHFFFAOYSA-N -1 137.138 AC 0.967 0 Anodyne ref ACAARM Nc1ccc(C(=O)[O-])cc1 in-man endogenous O=C(O)c1cccnc1 ZINC000000001795 92/38/09/342923809 PVNIIMVLHYAWGP-UHFFFAOYSA-N -1 123.111 AC 0.78 0 Anodyne ref ACAARM O=C([O-])c1cccnc1 fda endogenous NCCc1ccc(O)cc1 ZINC000000002233 19/76/02/169197602 DZGWFCGJZKJUFP-UHFFFAOYSA-N 1 137.182 AC 0.893 0 Anodyne ref ACAARO [NH3+]CCc1ccc(O)cc1 world endogenous Nc1ccccc1N ZINC000000004316 29/83/29/169298329 GEYOCULIXLDCMW-UHFFFAOYSA-N 0 108.144 AC 0.851 0 Anodyne ref ACAARN Nc1ccccc1N in-vitro NCc1ccccn1 ZINC000000011050 22/47/53/169224753 WOXFMYVTSLAQMO-UHFFFAOYSA-N 0 108.144 AC 0.54 3 Anodyne high ACAAHN NCc1ccccn1 in-vitro NCc1ccccn1 ZINC000000011050 22/47/52/169224752 WOXFMYVTSLAQMO-UHFFFAOYSA-N 1 108.144 AC 0.54 0 Anodyne ref ACAARO [NH3+]Cc1ccccn1 in-vitro CCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000000028379 33/92/25/167339225 XDEFHGLUBFLYGV-UHFFFAOYSA-N 0 199.166 AC 0.354 0 Bother ref ACBARN CCOC(=O)Cn1cc([N+](=O)[O-])cn1 Cn1ncc(Cl)c1C(=O)O ZINC000000031786 06/48/51/169064851 SOCMTMNWGCJGLA-UHFFFAOYSA-N -1 160.56 AC 0.772 0 Anodyne ref ACAARM Cn1ncc(Cl)c1C(=O)[O-] CCOC(=O)c1ccc(CN)o1 ZINC000000031836 37/10/15/167371015 GSWZGDLAZFBBPB-UHFFFAOYSA-N 0 169.18 AC 0.915 1 Anodyne mid ACAAMN CCOC(=O)c1ccc(CN)o1 CCOC(=O)c1ccc(CN)o1 ZINC000000031836 37/10/11/167371011 GSWZGDLAZFBBPB-UHFFFAOYSA-N 1 169.18 AC 0.915 0 Anodyne ref ACAARO CCOC(=O)c1ccc(C[NH3+])o1 NCCc1ccc(O)c(O)c1 ZINC000000033882 19/81/66/169198166 VYFYYTLLBUKUHU-UHFFFAOYSA-N 1 153.181 AC 0.599 0 Clean ref ACCARO [NH3+]CCc1ccc(O)c(O)c1 fda endogenous N[C@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034161 26/27/02/169262702 VHVGNTVUSQUXPS-YUMQZZPRSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034161 26/27/01/169262701 VHVGNTVUSQUXPS-YUMQZZPRSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034162 26/19/49/169261949 VHVGNTVUSQUXPS-JGVFFNPUSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034162 26/19/48/169261948 VHVGNTVUSQUXPS-JGVFFNPUSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])[C@H](O)c1ccccc1 in-man endogenous N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034163 24/23/80/169242380 VHVGNTVUSQUXPS-SFYZADRCSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034163 24/23/78/169242378 VHVGNTVUSQUXPS-SFYZADRCSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034164 24/25/33/169242533 VHVGNTVUSQUXPS-HTQZYQBOSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034164 24/25/32/169242532 VHVGNTVUSQUXPS-HTQZYQBOSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccccc1 in-vitro biogenic CNC(=O)c1cccc(N)c1 ZINC000000039702 92/46/25/342924625 PYDQTASEULDNRL-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1cccc(N)c1 O=C(O)c1ccccn1 ZINC000000039905 92/46/40/342924640 SIOXPEMLGUPBBT-UHFFFAOYSA-N -1 123.111 AC 0.78 0 Anodyne ref ACAARM O=C([O-])c1ccccn1 world endogenous Cc1ccc(/C=C(\C#N)C(N)=O)o1 ZINC000000043635 60/05/02/263600502 XSZFURMRBXMGKU-QPJJXVBHSA-N 0 176.175 AC 0.98 0 Reactive ref ACGARN Cc1ccc(/C=C(\C#N)C(N)=O)o1 Cc1cc(C)n(N)c(=O)c1C#N ZINC000000047784 92/48/67/342924867 IOUFHSGKGXNGDO-UHFFFAOYSA-N 0 163.18 AC 0.051 0 Mild ref ACEARN Cc1cc(C)n(N)c(=O)c1C#N Nc1ccccc1C(=O)O ZINC000000047985 29/82/29/169298229 RWZYAGGXGHYGMB-UHFFFAOYSA-N -1 137.138 AC 0.967 0 Anodyne ref ACAARM Nc1ccccc1C(=O)[O-] in-man metabolite CCOC(=O)[C@H]1CCCNC1 ZINC000000057098 36/13/30/167361330 XIWBSOUNZWSFKU-ZETCQYMHSA-N 1 157.213 AC 0.549 0 Anodyne ref ACAARO CCOC(=O)[C@H]1CCC[NH2+]C1 CCOC(=O)[C@@H]1CCCNC1 ZINC000000057099 35/23/85/167352385 XIWBSOUNZWSFKU-SSDOTTSWSA-N 1 157.213 AC 0.549 0 Anodyne ref ACAARO CCOC(=O)[C@@H]1CCC[NH2+]C1 in-vitro O=C1CC(=O)N2C=CC=CC2=N1 ZINC000000062265 92/53/06/342925306 QPMFOBIBWGLUKY-UHFFFAOYSA-N -1 162.148 AC 0.227 1 Anodyne mid ACAAMM O=c1cc([O-])nc2ccccn12 O=C1CC(=O)N2C=CC=CC2=N1 ZINC000000062265 92/53/05/342925305 QPMFOBIBWGLUKY-UHFFFAOYSA-N 0 162.148 AC 0.227 1 Anodyne mid ACAAMN O=C1CC(=O)N2C=CC=CC2=N1 O=C1CC(=O)N2C=CC=CC2=N1 ZINC000000062265 92/53/03/342925303 QPMFOBIBWGLUKY-UHFFFAOYSA-N 0 162.148 AC 0.227 0 Anodyne ref ACAARN O=c1cc(O)nc2ccccn12 Cc1n[nH]c(C)c1CN ZINC000000064910 92/52/92/342925292 YJVZLKBKPGYLJW-UHFFFAOYSA-N 0 125.175 AC 0.485 3 Anodyne high ACAAHN Cc1n[nH]c(C)c1CN Cc1n[nH]c(C)c1CN ZINC000000064910 92/52/89/342925289 YJVZLKBKPGYLJW-UHFFFAOYSA-N 1 125.175 AC 0.485 0 Anodyne ref ACAARO Cc1n[nH]c(C)c1C[NH3+] Cc1cc(C)n(CC(=O)O)n1 ZINC000000070386 92/58/09/342925809 JYSWEDYPQJOEPO-UHFFFAOYSA-N -1 154.169 AC 0.585 0 Anodyne ref ACAARM Cc1cc(C)n(CC(=O)[O-])n1 O=C1c2ccccc2C(=O)N1CO ZINC000000076113 39/32/78/169393278 MNSGOOCAMMSKGI-UHFFFAOYSA-N 0 177.159 AC 0.232 0 Anodyne ref ACAARN O=C1c2ccccc2C(=O)N1CO in-vitro O=C1c2ccccc2C(=O)N1O ZINC000000098179 39/38/92/169393892 CFMZSMGAMPBRBE-UHFFFAOYSA-N -1 163.132 AC 0.672 1 Mild mid ACEAMM O=C1c2ccccc2C(=O)N1[O-] O=C1c2ccccc2C(=O)N1O ZINC000000098179 39/38/90/169393890 CFMZSMGAMPBRBE-UHFFFAOYSA-N 0 163.132 AC 0.672 0 Mild ref ACEARN O=C1c2ccccc2C(=O)N1O N[C@@H](Cc1ccccc1)C(=O)O ZINC000000105196 24/83/09/169248309 COLNVLDHVKWLRT-QMMMGPOBSA-N 0 165.192 AC 0.641 0 Anodyne ref ACAARN [NH3+][C@@H](Cc1ccccc1)C(=O)[O-] fda endogenous Cn1cc(C=O)cn1 ZINC000000109495 03/85/12/169038512 MYFZXSOYJVWTBL-UHFFFAOYSA-N 0 110.116 AC 0.233 0 Anodyne ref ACAARN Cn1cc(C=O)cn1 NC1(C(=O)O)CCCCC1 ZINC000000116197 16/92/31/169169231 WOXWUZCRWJWTRT-UHFFFAOYSA-N 0 143.186 AC 0.733 0 Anodyne ref ACAARN [NH3+]C1(C(=O)[O-])CCCCC1 in-vitro NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000118752 16/08/61/169160861 LIQWNOWUUZXEPC-QMMMGPOBSA-N 0 179.175 AC 0.312 0 Anodyne ref ACAARN NC(=O)[C@@H]1COc2ccccc2O1 NC(=O)[C@H]1COc2ccccc2O1 ZINC000000118755 16/45/76/169164576 LIQWNOWUUZXEPC-MRVPVSSYSA-N 0 179.175 AC 0.312 0 Anodyne ref ACAARN NC(=O)[C@H]1COc2ccccc2O1 O=C1c2ccccc2C(=O)N1CCO ZINC000000119454 39/33/15/169393315 MWFLUYFYHANMCM-UHFFFAOYSA-N 0 191.186 AC 0.275 0 Anodyne ref ACAARN O=C1c2ccccc2C(=O)N1CCO Nc1ccc2c(c1)COC2=O ZINC000000122281 29/47/04/169294704 ISMUWQMUWFPFBZ-UHFFFAOYSA-N 0 149.149 AC 0.939 0 Anodyne ref ACAARN Nc1ccc2c(c1)COC2=O CCOC(=O)c1cc(C)n(C)n1 ZINC000000124185 36/80/53/167368053 OJPXVXXMBWKEAT-UHFFFAOYSA-N 0 168.196 AC 0.905 0 Anodyne ref ACAARN CCOC(=O)c1cc(C)n(C)n1 Cc1nc2ccccc2c(=O)n1N ZINC000000126191 92/74/39/342927439 IQOUPYQSZBDNAW-UHFFFAOYSA-N 0 175.191 AC 0.419 0 Anodyne ref ACAARN Cc1nc2ccccc2c(=O)n1N COc1ccccc1OCC(N)=O ZINC000000128275 92/77/57/342927757 SWSQFEAWQBOBAI-UHFFFAOYSA-N 0 181.191 AC 0.559 0 Anodyne ref ACAARN COc1ccccc1OCC(N)=O Cn1cccc1C=O ZINC000000130187 04/97/89/169049789 OUKQTRFCDKSEPL-UHFFFAOYSA-N 0 109.128 AC 0.838 0 Anodyne ref ACAARN Cn1cccc1C=O in-man endogenous CNC(=O)c1ccc(N)cc1 ZINC000000136207 92/76/68/342927668 XAGFYNSCWICYPA-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1ccc(N)cc1 Nc1ccc(C(=O)O)cc1N ZINC000000136437 29/17/01/169291701 HEMGYNNCNNODNX-UHFFFAOYSA-N -1 152.153 AC 0.549 0 Anodyne ref ACAARM Nc1ccc(C(=O)[O-])cc1N Cc1ccccc1OCC(N)=O ZINC000000142308 92/81/80/342928180 QPCWSKDUWIYHBQ-UHFFFAOYSA-N 0 165.192 AC 0.859 0 Anodyne ref ACAARN Cc1ccccc1OCC(N)=O Cc1cccc(OCC(N)=O)c1 ZINC000000142313 92/80/86/342928086 GOVBTAZVUFGTFB-UHFFFAOYSA-N 0 165.192 AC 0.859 0 Anodyne ref ACAARN Cc1cccc(OCC(N)=O)c1 Cc1ccc(OCC(N)=O)cc1 ZINC000000142316 92/82/38/342928238 JFJODJVMRSQHPG-UHFFFAOYSA-N 0 165.192 AC 0.859 0 Anodyne ref ACAARN Cc1ccc(OCC(N)=O)cc1 NC[C@@H]1CCCO1 ZINC000000151682 20/82/60/169208260 YNOGYQAEJGADFJ-YFKPBYRVSA-N 1 101.149 AC 0.124 0 Anodyne ref ACAARO [NH3+]C[C@@H]1CCCO1 in-vitro O=C(O)Cc1cccnc1 ZINC000000152270 34/43/04/169344304 WGNUNYPERJMVRM-UHFFFAOYSA-N -1 137.138 AC 0.709 0 Anodyne ref ACAARM O=C([O-])Cc1cccnc1 in-man endogenous Cc1cc(N)n(C)n1 ZINC000000152286 92/80/89/342928089 ZFDGMMZLXSFNFU-UHFFFAOYSA-N 0 111.148 AC 0.311 0 Anodyne ref ACAARN Cc1cc(N)n(C)n1 in-vitro CC(C)(C)OC(=O)N1CCNCC1 ZINC000000152447 36/87/16/166368716 CWXPZXBSDSIRCS-UHFFFAOYSA-N 0 186.255 AC 0.827 1 Anodyne mid ACAAMN CC(C)(C)OC(=O)N1CCNCC1 in-vitro CC(C)(C)OC(=O)N1CCNCC1 ZINC000000152447 36/87/12/166368712 CWXPZXBSDSIRCS-UHFFFAOYSA-N 1 186.255 AC 0.827 0 Anodyne ref ACAARO CC(C)(C)OC(=O)N1CC[NH2+]CC1 in-vitro COc1ccc(N)c(N)c1 ZINC000000152529 25/50/30/168255030 AGAHETWGCFCMDK-UHFFFAOYSA-N 0 138.17 AC 0.86 0 Anodyne ref ACAARN COc1ccc(N)c(N)c1 in-vitro Nc1ccc(F)cc1N ZINC000000152599 92/85/54/342928554 KWEWNOOZQVJONF-UHFFFAOYSA-N 0 126.134 AC 0.99 0 Anodyne ref ACAARN Nc1ccc(F)cc1N NC(=O)c1cccnc1Cl ZINC000000152936 92/85/79/342928579 ZQZAHPFFZWEUCL-UHFFFAOYSA-N 0 156.572 AC 0.834 0 Anodyne ref ACAARN NC(=O)c1cccnc1Cl COC(=O)CCC(=O)O ZINC000000152993 08/49/61/168084961 JDRMYOQETPMYQX-UHFFFAOYSA-N -1 132.115 AC 0.024 0 Anodyne ref ACAARM COC(=O)CCC(=O)[O-] in-vitro biogenic NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000153288 92/85/38/342928538 KWAYEPXDGHYGRW-UHFFFAOYSA-N 0 166.136 AC 0.694 0 Bother ref ACBARN NC(=O)c1cccc([N+](=O)[O-])c1 CS(=O)(=O)c1ccc(N)cc1 ZINC000000153753 29/46/07/168294607 XJEVFFNOMKXBLU-UHFFFAOYSA-N 0 171.221 AC 0.672 0 Anodyne ref ACAARN CS(=O)(=O)c1ccc(N)cc1 CCn1nccc1N ZINC000000154804 92/89/06/342928906 FSJOLBAFVKSQQJ-UHFFFAOYSA-N 0 111.148 AC 0.485 0 Anodyne ref ACAARN CCn1nccc1N CCOC(=O)[C@H]1CCCN(C)C1 ZINC000000155204 36/22/96/167362296 VFJJNMLPRDRTCO-QMMMGPOBSA-N 0 171.24 AC 0.891 3 Anodyne high ACAAHN CCOC(=O)[C@H]1CCCN(C)C1 CCOC(=O)[C@H]1CCCN(C)C1 ZINC000000155204 36/22/93/167362293 VFJJNMLPRDRTCO-QMMMGPOBSA-N 1 171.24 AC 0.891 1 Anodyne mid ACAAMO CCOC(=O)[C@H]1CCC[N@@H+](C)C1 CCOC(=O)[C@H]1CCCN(C)C1 ZINC000000155204 36/22/91/167362291 VFJJNMLPRDRTCO-QMMMGPOBSA-N 1 171.24 AC 0.891 0 Anodyne ref ACAARO CCOC(=O)[C@H]1CCC[N@H+](C)C1 CCOC(=O)[C@@H]1CCCN(C)C1 ZINC000000155206 35/23/55/167352355 VFJJNMLPRDRTCO-MRVPVSSYSA-N 0 171.24 AC 0.891 3 Anodyne high ACAAHN CCOC(=O)[C@@H]1CCCN(C)C1 in-vitro biogenic CCOC(=O)[C@@H]1CCCN(C)C1 ZINC000000155206 35/23/54/167352354 VFJJNMLPRDRTCO-MRVPVSSYSA-N 1 171.24 AC 0.891 1 Anodyne mid ACAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C)C1 in-vitro biogenic CCOC(=O)[C@@H]1CCCN(C)C1 ZINC000000155206 35/23/53/167352353 VFJJNMLPRDRTCO-MRVPVSSYSA-N 1 171.24 AC 0.891 0 Anodyne ref ACAARO CCOC(=O)[C@@H]1CCC[N@H+](C)C1 in-vitro biogenic C1CC(C2CCNCC2)CCN1 ZINC000000155347 08/43/12/166084312 PRNRUOJLUPUJDN-UHFFFAOYSA-N 2 168.284 AC 0.986 0 Anodyne ref ACAARP C1CC(C2CC[NH2+]CC2)CC[NH2+]1 CC1(C)OC[C@H](CO)O1 ZINC000000155398 69/64/26/166696426 RNVYQYLELCKWAN-YFKPBYRVSA-N 0 132.159 AC 0.13 0 Anodyne ref ACAARN CC1(C)OC[C@H](CO)O1 in-vitro O=C(n1ccnc1)n1ccnc1 ZINC000000155422 36/55/48/169365548 PFKFTWBEEFSNDU-UHFFFAOYSA-N 0 162.152 AC 0.596 0 Anodyne ref ACAARN O=C(n1ccnc1)n1ccnc1 in-vitro Nc1nc(CC(=O)O)cs1 ZINC000000155667 30/42/98/169304298 DYCLHZPOADTVKK-UHFFFAOYSA-N -1 158.182 AC 0.352 0 Anodyne ref ACAARM Nc1nc(CC(=O)[O-])cs1 N=C(N)Nc1ccc(C(=O)O)cc1 ZINC000000155851 14/02/39/169140239 SXTSBZBQQRIYCU-UHFFFAOYSA-N 0 179.179 AC 0.69 0 Anodyne ref ACAARN NC(=[NH2+])Nc1ccc(C(=O)[O-])cc1 in-vivo O=C(O)c1cccc(=O)[nH]1 ZINC000000156920 92/92/91/342929291 VRCWSYYXUCKEED-UHFFFAOYSA-N -1 139.11 AC 0.073 0 Anodyne ref ACAARM O=C([O-])c1cccc(=O)[nH]1 in-vitro O=C(O)C1CCNCC1 ZINC000000156973 33/64/89/169336489 SRJOCJYGOFTFLH-UHFFFAOYSA-N 0 129.159 AC 0.071 0 Anodyne ref ACAARN O=C([O-])C1CC[NH2+]CC1 in-vivo O=C(O)[C@H]1CCCCN1 ZINC000000157014 35/21/39/169352139 HXEACLLIILLPRG-RXMQYKEDSA-N 0 129.159 AC 0.213 0 Anodyne ref ACAARN O=C([O-])[C@H]1CCCC[NH2+]1 in-man endogenous O=C(O)[C@@H]1CCCCN1 ZINC000000157015 34/66/33/169346633 HXEACLLIILLPRG-YFKPBYRVSA-N 0 129.159 AC 0.213 0 Anodyne ref ACAARN O=C([O-])[C@@H]1CCCC[NH2+]1 in-man endogenous CN1CCCN(C)C1=O ZINC000000157131 90/51/47/167905147 GUVUOGQBMYCBQP-UHFFFAOYSA-N 0 128.175 AC 0.374 0 Anodyne ref ACAARN CN1CCCN(C)C1=O O=Cc1ccncc1 ZINC000000157163 27/14/84/351271484 BGUWFUQJCDRPTL-UHFFFAOYSA-N 0 107.112 AC 0.894 0 Anodyne ref ACAARN O=Cc1ccncc1 NC(=O)c1cccc(N)c1 ZINC000000157165 99/21/12/170992112 GSCPDZHWVNUUFI-UHFFFAOYSA-N 0 136.154 AC 0.368 0 Anodyne ref ACAARN NC(=O)c1cccc(N)c1 in-vivo NC(=O)c1ccc(N)cc1 ZINC000000157169 92/93/49/342929349 QIKYZXDTTPVVAC-UHFFFAOYSA-N 0 136.154 AC 0.368 0 Anodyne ref ACAARN NC(=O)c1ccc(N)cc1 NNc1ccc(C(=O)O)cc1 ZINC000000157417 23/73/82/169237382 PCNFLKVWBDNNOW-UHFFFAOYSA-N -1 152.153 AC 0.67 0 Anodyne ref ACAARM NNc1ccc(C(=O)[O-])cc1 in-vitro OC[C@@H]1CCCO1 ZINC000000157469 27/16/38/351271638 BSYVTEYKTMYBMK-YFKPBYRVSA-N 0 102.133 AC 0.158 0 Anodyne ref ACAARN OC[C@@H]1CCCO1 in-man endogenous OC[C@H]1CCCO1 ZINC000000157471 43/49/84/169434984 BSYVTEYKTMYBMK-RXMQYKEDSA-N 0 102.133 AC 0.158 0 Anodyne ref ACAARN OC[C@H]1CCCO1 in-man endogenous Nc1ccccc1O ZINC000000157526 29/90/28/169299028 CDAWCLOXVUBKRW-UHFFFAOYSA-N 0 109.128 AC 0.974 0 Anodyne ref ACAARN Nc1ccccc1O biogenic in-vivo Nc1cccc(O)c1 ZINC000000157527 29/67/27/169296727 CWLKGDAVCFYWJK-UHFFFAOYSA-N 0 109.128 AC 0.974 0 Anodyne ref ACAARN Nc1cccc(O)c1 in-vitro biogenic OCC[C@@H]1CCCCN1 ZINC000000157541 27/17/89/351271789 PTHDBHDZSMGHKF-ZETCQYMHSA-N 1 129.203 AC 0.511 0 Anodyne ref ACAARO OCC[C@@H]1CCCC[NH2+]1 in-vitro O=C1NC(=O)c2ccccc21 ZINC000000157623 38/48/92/169384892 XKJCHHZQLQNZHY-UHFFFAOYSA-N -1 147.133 AC 0.57 3 Anodyne high ACAAHM O=C1[N-]C(=O)c2ccccc21 in-vitro O=C1NC(=O)c2ccccc21 ZINC000000157623 38/48/91/169384891 XKJCHHZQLQNZHY-UHFFFAOYSA-N 0 147.133 AC 0.57 0 Anodyne ref ACAARN O=C1NC(=O)c2ccccc21 in-vitro NC[C@H]1COc2ccccc2O1 ZINC000000158539 21/70/30/169217030 JHNURUNMNRSGRO-ZETCQYMHSA-N 1 165.192 AC 0.785 0 Anodyne ref ACAARO [NH3+]C[C@H]1COc2ccccc2O1 O=C(O)c1ccco1 ZINC000000158555 99/20/91/170992091 SMNDYUVBFMFKNZ-UHFFFAOYSA-N -1 112.084 AC 0.978 0 Anodyne ref ACAARM O=C([O-])c1ccco1 in-man endogenous Cn1cccc1CN ZINC000000158567 04/97/67/169049767 GGCBARJYVAPZJQ-UHFFFAOYSA-N 0 110.16 AC 0.484 3 Anodyne high ACAAHN Cn1cccc1CN in-vitro Cn1cccc1CN ZINC000000158567 04/97/66/169049766 GGCBARJYVAPZJQ-UHFFFAOYSA-N 1 110.16 AC 0.484 0 Anodyne ref ACAARO Cn1cccc1C[NH3+] in-vitro O=Cc1ccccn1 ZINC000000158582 20/67/03/171206703 CSDSSGBPEUDDEE-UHFFFAOYSA-N 0 107.112 AC 0.894 0 Anodyne ref ACAARN O=Cc1ccccn1 in-vitro OCc1ccccn1 ZINC000000158585 43/94/66/169439466 SHNUBALDGXWUJI-UHFFFAOYSA-N 0 109.128 AC 0.574 0 Anodyne ref ACAARN OCc1ccccn1 world O=Cc1cccnc1 ZINC000000158588 27/17/42/351271742 QJZUKDFHGGYHMC-UHFFFAOYSA-N 0 107.112 AC 0.894 0 Anodyne ref ACAARN O=Cc1cccnc1 in-vitro O=C(O)c1ccncc1 ZINC000000158593 35/95/92/169359592 TWBYWOBDOCUKOW-UHFFFAOYSA-N -1 123.111 AC 0.78 0 Anodyne ref ACAARM O=C([O-])c1ccncc1 world NCc1ccncc1 ZINC000000158598 22/63/85/169226385 TXQWFIVRZNOPCK-UHFFFAOYSA-N 1 108.144 AC 0.54 0 Anodyne ref ACAARO [NH3+]Cc1ccncc1 in-vitro Cc1cc(C(=O)O)no1 ZINC000000158679 92/97/60/342929760 BNMPIJWVMVNSRD-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])no1 in-vitro