NC[C@@H](O)c1ccc(O)cc1 ZINC000000000558 20/48/97/169204897 QHGUCRYDKWKLMG-MRVPVSSYSA-N 1 153.181 AC 0.384 0 Anodyne ref ACAARO [NH3+]C[C@@H](O)c1ccc(O)cc1 world biogenic CNC[C@@H](O)c1ccc(O)cc1 ZINC000000000733 00/64/68/168006468 YRCWQPVGYLYSOX-SECBINFHSA-N 1 167.208 AC 0.645 0 Anodyne ref ACAARO C[NH2+]C[C@@H](O)c1ccc(O)cc1 world endogenous CC[C@H]1SCCNC1=O ZINC000000022898 70/00/48/167700048 SEVPHUUDEVATHV-RXMQYKEDSA-N 0 145.227 AC 0.628 0 Anodyne ref ACAARN CC[C@H]1SCCNC1=O NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000031295 15/25/21/169152521 IYJAUHBAFQALLE-UHFFFAOYSA-N 0 196.162 AC 0.459 0 Bother ref ACBARN NC(=O)COc1ccc([N+](=O)[O-])cc1 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 CCn1nccc1CNC ZINC000000034156 92/46/77/342924677 IPBXAQNEXLMXRW-UHFFFAOYSA-N 0 139.202 AC 0.622 3 Anodyne high ACAAHN CCn1nccc1CNC CCn1nccc1CNC ZINC000000034156 92/46/75/342924675 IPBXAQNEXLMXRW-UHFFFAOYSA-N 1 139.202 AC 0.622 0 Anodyne ref ACAARO CCn1nccc1C[NH2+]C C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 ZINC000000034157 92/44/25/342924425 GEFQWZLICWMTKF-CDUCUWFYSA-N 1 183.207 AC 0.478 0 Clean ref ACCARO C[C@H]([NH3+])[C@H](O)c1ccc(O)c(O)c1 fda endogenous C[C@@H](N)[C@H](O)c1ccc(O)c(O)c1 ZINC000000034158 36/88/30/168368830 GEFQWZLICWMTKF-ANLVUFKYSA-N 1 183.207 AC 0.478 0 Clean ref ACCARO C[C@@H]([NH3+])[C@H](O)c1ccc(O)c(O)c1 in-man endogenous C[C@H](N)[C@@H](O)c1ccc(O)c(O)c1 ZINC000000034159 92/44/22/342924422 GEFQWZLICWMTKF-SSDLBLMSSA-N 1 183.207 AC 0.478 0 Clean ref ACCARO C[C@H]([NH3+])[C@@H](O)c1ccc(O)c(O)c1 in-man endogenous C[C@@H](N)[C@@H](O)c1ccc(O)c(O)c1 ZINC000000034160 36/67/85/168366785 GEFQWZLICWMTKF-MLUIRONXSA-N 1 183.207 AC 0.478 0 Clean ref ACCARO C[C@@H]([NH3+])[C@@H](O)c1ccc(O)c(O)c1 in-man endogenous Cc1cc(=O)oc(C)c1C(=O)O ZINC000000036422 92/46/27/342924627 QOADIMYPCZMZSG-UHFFFAOYSA-N -1 168.148 AC 0.955 0 Anodyne ref ACAARM Cc1cc(=O)oc(C)c1C(=O)[O-] N=C(N)c1ccccc1 ZINC000000036634 14/13/19/169141319 PXXJHWLDUBFPOL-UHFFFAOYSA-N 1 120.155 AC 0.971 0 Anodyne ref ACAARO NC(=[NH2+])c1ccccc1 in-vivo COC(=O)c1ccc(NN)cc1 ZINC000000039711 13/16/87/168131687 PUVXAQCVNJUHKG-UHFFFAOYSA-N 0 166.18 AC 0.759 0 Anodyne ref ACAARN COC(=O)c1ccc(NN)cc1 O=C(O)CNC(=O)c1ccccc1F ZINC000000043549 34/14/80/169341480 QPLHHPDONGSZNY-UHFFFAOYSA-N -1 197.165 AC 0.64 0 Anodyne ref ACAARM O=C([O-])CNC(=O)c1ccccc1F in-vitro biogenic Cc1ccc(C(=O)NCC(=O)O)cc1 ZINC000000051120 92/50/22/342925022 NRSCPTLHWVWLLH-UHFFFAOYSA-N -1 193.202 AC 0.809 0 Anodyne ref ACAARM Cc1ccc(C(=O)NCC(=O)[O-])cc1 in-man endogenous C=CCn1cncn1 ZINC000000051189 21/07/74/166210774 IADAMWWRAKRHRW-UHFFFAOYSA-N 0 109.132 AC 0.464 0 Mild ref ACEBRN C=CCn1cncn1 COC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000000054303 13/16/97/168131697 VGURYVWLCVIMTF-UHFFFAOYSA-N 0 196.162 AC 0.964 0 Bother ref ACBARN COC(=O)c1ccc([N+](=O)[O-])cc1N COc1ccc(-n2cnnn2)cc1 ZINC000000055392 24/29/03/168242903 AIOWTKRICIGKFJ-UHFFFAOYSA-N 0 176.179 AC 0.671 0 Anodyne ref ACAARN COc1ccc(-n2cnnn2)cc1 CC(=O)Nc1nc(O)c2[nH]cnc2n1 ZINC000000058129 28/59/77/166285977 MXSMRDDXWJSGMC-UHFFFAOYSA-N -1 193.166 AC 0.017 3 Anodyne high ACAAHM CC(=O)Nc1nc2ncnc-2c(O)[n-]1 in-vitro CC(=O)Nc1nc(O)c2[nH]cnc2n1 ZINC000000058129 28/59/75/166285975 MXSMRDDXWJSGMC-UHFFFAOYSA-N 0 193.166 AC 0.017 0 Anodyne ref ACAARN CC(=O)Nc1nc2[nH]cnc2c(=O)[nH]1 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 O=C(O)CNC(=O)c1ccc(F)cc1 ZINC000000077858 34/12/16/169341216 NVWXSGQHHUSSOU-UHFFFAOYSA-N -1 197.165 AC 0.64 0 Anodyne ref ACAARM O=C([O-])CNC(=O)c1ccc(F)cc1 in-vitro biogenic O=C(O)C#CC1CC1 ZINC000000082374 20/65/87/171206587 IJODLTUIUAZITN-UHFFFAOYSA-N -1 110.112 AC 0.484 0 Mild ref ACEARM O=C([O-])C#CC1CC1 N[C@@H](COCc1ccccc1)C(=O)O ZINC000000086010 24/61/62/169246162 IDGQXGPQOGUGIX-VIFPVBQESA-N -1 195.218 AC 0.615 3 Anodyne high ACAAHM N[C@@H](COCc1ccccc1)C(=O)[O-] in-vitro biogenic N[C@@H](COCc1ccccc1)C(=O)O ZINC000000086010 24/61/60/169246160 IDGQXGPQOGUGIX-VIFPVBQESA-N 0 195.218 AC 0.615 0 Anodyne ref ACAARN [NH3+][C@@H](COCc1ccccc1)C(=O)[O-] in-vitro biogenic CC[C@H]1N[C@@H](C(=O)O)CS1 ZINC000000086734 92/62/82/342926282 RSZVGLFPGDKTDK-UHNVWZDZSA-N -1 161.226 AC 0.512 1 Anodyne mid ACAAMM CC[C@H]1N[C@@H](C(=O)[O-])CS1 CC[C@H]1N[C@@H](C(=O)O)CS1 ZINC000000086734 92/62/80/342926280 RSZVGLFPGDKTDK-UHNVWZDZSA-N 0 161.226 AC 0.512 0 Anodyne ref ACAARN CC[C@H]1[NH2+][C@@H](C(=O)[O-])CS1 CC[C@H]1N[C@H](C(=O)O)CS1 ZINC000000086738 92/65/80/342926580 RSZVGLFPGDKTDK-WHFBIAKZSA-N -1 161.226 AC 0.512 1 Anodyne mid ACAAMM CC[C@H]1N[C@H](C(=O)[O-])CS1 CC[C@H]1N[C@H](C(=O)O)CS1 ZINC000000086738 92/65/78/342926578 RSZVGLFPGDKTDK-WHFBIAKZSA-N 0 161.226 AC 0.512 0 Anodyne ref ACAARN CC[C@H]1[NH2+][C@H](C(=O)[O-])CS1 CC[C@@H]1N[C@H](C(=O)O)CS1 ZINC000000086739 92/63/63/342926363 RSZVGLFPGDKTDK-CRCLSJGQSA-N -1 161.226 AC 0.512 1 Anodyne mid ACAAMM CC[C@@H]1N[C@H](C(=O)[O-])CS1 CC[C@@H]1N[C@H](C(=O)O)CS1 ZINC000000086739 92/63/59/342926359 RSZVGLFPGDKTDK-CRCLSJGQSA-N 0 161.226 AC 0.512 0 Anodyne ref ACAARN CC[C@@H]1[NH2+][C@H](C(=O)[O-])CS1 N#Cc1nc[nH]c1C#N ZINC000000090751 92/64/65/342926465 XGDRLCRGKUCBQL-UHFFFAOYSA-N -1 118.099 AC 0.153 3 Mild high ACEAHM N#Cc1nc[n-]c1C#N N#Cc1nc[nH]c1C#N ZINC000000090751 92/64/62/342926462 XGDRLCRGKUCBQL-UHFFFAOYSA-N 0 118.099 AC 0.153 0 Mild ref ACEARN N#Cc1nc[nH]c1C#N Cn1cnc2ccc(N)cc2c1=O ZINC000000091925 05/78/64/169057864 PKPUWVULEUYWLR-UHFFFAOYSA-N 0 175.191 AC 0.516 0 Anodyne ref ACAARN Cn1cnc2ccc(N)cc2c1=O Cc1cc(NC(=O)CCC(=O)O)no1 ZINC000000097658 92/67/65/342926765 LJJUAFOQSYSMRE-UHFFFAOYSA-N -1 198.178 AC 0.786 0 Anodyne ref ACAARM Cc1cc(NC(=O)CCC(=O)[O-])no1 C[C@]1(c2ccco2)NC(=O)NC1=O ZINC000000100046 92/68/67/342926867 CLYDEKUAEQOFIL-MRVPVSSYSA-N -1 180.163 AC 0.334 3 Anodyne high ACAAHM C[C@]1(c2ccco2)NC(=O)[N-]C1=O C[C@]1(c2ccco2)NC(=O)NC1=O ZINC000000100046 92/68/64/342926864 CLYDEKUAEQOFIL-MRVPVSSYSA-N 0 180.163 AC 0.334 0 Anodyne ref ACAARN C[C@]1(c2ccco2)NC(=O)NC1=O C[C@@]1(c2ccco2)NC(=O)NC1=O ZINC000000100049 92/67/91/342926791 CLYDEKUAEQOFIL-QMMMGPOBSA-N -1 180.163 AC 0.334 3 Anodyne high ACAAHM C[C@@]1(c2ccco2)NC(=O)[N-]C1=O C[C@@]1(c2ccco2)NC(=O)NC1=O ZINC000000100049 92/67/88/342926788 CLYDEKUAEQOFIL-QMMMGPOBSA-N 0 180.163 AC 0.334 0 Anodyne ref ACAARN C[C@@]1(c2ccco2)NC(=O)NC1=O CCOC(=O)N1CCC[C@@H]1C(=O)O ZINC000000106314 34/30/18/167343018 IJDOTHRWLOAOAC-ZCFIWIBFSA-N -1 187.195 AC 0.692 0 Anodyne ref ACAARM CCOC(=O)N1CCC[C@@H]1C(=O)[O-] Nc1ccc(C(=O)NCC(=O)O)cc1 ZINC000000119344 29/13/42/169291342 HSMNQINEKMPTIC-UHFFFAOYSA-N -1 194.19 AC 0.083 0 Anodyne ref ACAARM Nc1ccc(C(=O)NCC(=O)[O-])cc1 fda endogenous CC(=O)N1CCC[C@H]1C(=O)O ZINC000000119664 26/13/09/166261309 GNMSLDIYJOSUSW-LURJTMIESA-N -1 157.169 AC 0.082 0 Anodyne ref ACAARM CC(=O)N1CCC[C@H]1C(=O)[O-] endogenous in-vivo CC(=O)N1CCC[C@@H]1C(=O)O ZINC000000119667 26/19/27/166261927 GNMSLDIYJOSUSW-ZCFIWIBFSA-N -1 157.169 AC 0.082 0 Anodyne ref ACAARM CC(=O)N1CCC[C@@H]1C(=O)[O-] endogenous in-vivo Cc1ncc(CO)c(C=O)c1O ZINC000000120249 92/72/27/342927227 RADKZDMFGJYCBB-UHFFFAOYSA-N -1 167.164 AC 0.4 1 Anodyne mid ACAAMM Cc1ncc(CO)c(C=O)c1[O-] world endogenous Cc1ncc(CO)c(C=O)c1O ZINC000000120249 92/72/26/342927226 RADKZDMFGJYCBB-UHFFFAOYSA-N 0 167.164 AC 0.4 0 Anodyne ref ACAARN Cc1ncc(CO)c(C=O)c1O world endogenous CCn1nc(C)cc1C(=O)O ZINC000000120520 80/92/71/167809271 VFMGOJUUTAPPDA-UHFFFAOYSA-N -1 154.169 AC 0.91 0 Anodyne ref ACAARM CCn1nc(C)cc1C(=O)[O-] 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 O=C1NC(=O)C2(CCCC2)N1 ZINC000000126199 99/13/04/170991304 JTTFXYHJDZZDQK-UHFFFAOYSA-N 0 154.169 AC 0.139 0 Anodyne ref ACAARN O=C1NC(=O)C2(CCCC2)N1 COc1cc(OC)nc(N)n1 ZINC000000132738 23/91/77/168239177 LVFRCHIUUKWBLR-UHFFFAOYSA-N 0 155.157 AC 0.076 0 Anodyne ref ACAARN COc1cc(OC)nc(N)n1 in-vitro O=C(O)c1ccc(CO)cc1 ZINC000000135484 35/75/70/169357570 WWYFPDXEIFBNKE-UHFFFAOYSA-N -1 152.149 AC 0.877 0 Anodyne ref ACAARM O=C([O-])c1ccc(CO)cc1 in-vitro Cc1nc2ccc(F)cc2c(=O)n1N ZINC000000143986 92/82/18/342928218 VDDWAGDCXKFEOR-UHFFFAOYSA-N 0 193.181 AC 0.558 0 Anodyne ref ACAARN Cc1nc2ccc(F)cc2c(=O)n1N O=Cc1cc([N+](=O)[O-])c(O)cc1O ZINC000000151796 27/02/78/351270278 MWDICCJVJOMHSI-UHFFFAOYSA-N -1 183.119 AC 0.818 2 Bother low ACBALM O=Cc1cc([N+](=O)[O-])c([O-])cc1O O=Cc1cc([N+](=O)[O-])c(O)cc1O ZINC000000151796 27/02/73/351270273 MWDICCJVJOMHSI-UHFFFAOYSA-N -1 183.119 AC 0.818 0 Bother ref ACBARM O=Cc1cc([N+](=O)[O-])c([O-])cc1[O-] Cc1cc(N)nc(C)n1 ZINC000000154449 92/85/73/342928573 BJJDXAFKCKSLTE-UHFFFAOYSA-N 1 123.159 AC 0.676 1 Anodyne mid ACAAMO Cc1cc(N)nc(C)[nH+]1 in-vitro Cc1cc(N)nc(C)n1 ZINC000000154449 92/85/72/342928572 BJJDXAFKCKSLTE-UHFFFAOYSA-N 0 123.159 AC 0.676 0 Anodyne ref ACAARN Cc1cc(N)nc(C)n1 in-vitro O=C(CCl)N1CCOCC1 ZINC000000154451 17/75/06/560177506 YMQRPXBBBOXHNZ-UHFFFAOYSA-N 0 163.604 AC 0.084 0 Reactive ref ACGARN O=C(CCl)N1CCOCC1 in-vitro CCn1nccc1N ZINC000000154804 92/89/06/342928906 FSJOLBAFVKSQQJ-UHFFFAOYSA-N 0 111.148 AC 0.485 0 Anodyne ref ACAARN CCn1nccc1N CCN(CC)C(=O)[C@H]1CCCNC1 ZINC000000155111 16/37/50/167163750 ZXQKYQVJDRTTLZ-VIFPVBQESA-N 1 184.283 AC 0.854 0 Anodyne ref ACAARO CCN(CC)C(=O)[C@H]1CCC[NH2+]C1 CCN(CC)C(=O)[C@@H]1CCCNC1 ZINC000000155113 16/04/41/167160441 ZXQKYQVJDRTTLZ-SECBINFHSA-N 1 184.283 AC 0.854 0 Anodyne ref ACAARO CCN(CC)C(=O)[C@@H]1CCC[NH2+]C1 NC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000000158115 16/11/99/169161199 ZTUUVDYQBLRAAC-RRKCRQDMSA-N 0 137.182 AC 0.684 0 Anodyne ref ACAARN NC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Cc1cc(C=O)n(C)n1 ZINC000000158734 75/12/94/168751294 JWYFGNVBKRJGTN-UHFFFAOYSA-N 0 124.143 AC 0.541 0 Anodyne ref ACAARN Cc1cc(C=O)n(C)n1 Cc1cc(CO)n(C)n1 ZINC000000158736 92/97/76/342929776 GUJDKMVLHCJODO-UHFFFAOYSA-N 0 126.159 AC 0.221 0 Anodyne ref ACAARN Cc1cc(CO)n(C)n1 CC(C)(C)C(=N)N ZINC000000162996 93/03/90/342930390 FNHMJTUQUPQWJN-UHFFFAOYSA-N 1 100.165 AC 0.968 0 Anodyne ref ACAARO CC(C)(C)C(N)=[NH2+] NC(=O)c1ccc(Cl)nc1 ZINC000000163243 93/03/46/342930346 ZIJAZUBWHAZHPL-UHFFFAOYSA-N 0 156.572 AC 0.834 0 Anodyne ref ACAARN NC(=O)c1ccc(Cl)nc1 Cc1ccc(CN)n1C ZINC000000165949 93/08/76/342930876 KMUHAJOXPNPERW-UHFFFAOYSA-N 0 124.187 AC 0.792 3 Anodyne high ACAAHN Cc1ccc(CN)n1C Cc1ccc(CN)n1C ZINC000000165949 93/08/75/342930875 KMUHAJOXPNPERW-UHFFFAOYSA-N 1 124.187 AC 0.792 0 Anodyne ref ACAARO Cc1ccc(C[NH3+])n1C O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000000173832 27/37/63/351273763 DLJZIPVEVJOKHB-UHFFFAOYSA-N 0 179.135 AC 0.764 0 Bother ref ACBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 O=C(O)c1ccccc1-n1cnnn1 ZINC000000206157 93/16/40/342931640 BHBFPWBHORPKDU-UHFFFAOYSA-N -1 190.162 AC 0.36 0 Anodyne ref ACAARM O=C([O-])c1ccccc1-n1cnnn1 O=C(O)c1cnn(-c2ccccc2)n1 ZINC000000234687 36/04/59/169360459 MXZFAZWAEXCZTR-UHFFFAOYSA-N -1 189.174 AC 0.965 0 Anodyne ref ACAARM O=C([O-])c1cnn(-c2ccccc2)n1 Nc1nc(-c2ccccc2)cn1N ZINC000000240649 30/45/94/169304594 PDRGDRQVKOPWFY-UHFFFAOYSA-N 1 174.207 AC 0.846 1 Anodyne mid ACAAMO Nc1[nH+]c(-c2ccccc2)cn1N Nc1nc(-c2ccccc2)cn1N ZINC000000240649 30/45/93/169304593 PDRGDRQVKOPWFY-UHFFFAOYSA-N 0 174.207 AC 0.846 0 Anodyne ref ACAARN Nc1nc(-c2ccccc2)cn1N COC(=O)c1cc(N)cc([N+](=O)[O-])c1 ZINC000000248689 12/89/56/168128956 HZVBRLJDOZZHFL-UHFFFAOYSA-N 0 196.162 AC 0.964 0 Bother ref ACBARN COC(=O)c1cc(N)cc([N+](=O)[O-])c1 O=C(c1cccnc1)N1CCNCC1 ZINC000000251609 36/36/33/169363633 VYSFCBZMPSKWOF-UHFFFAOYSA-N 0 191.234 AC 0.127 1 Anodyne mid ACAAMN O=C(c1cccnc1)N1CCNCC1 O=C(c1cccnc1)N1CCNCC1 ZINC000000251609 36/36/31/169363631 VYSFCBZMPSKWOF-UHFFFAOYSA-N 1 191.234 AC 0.127 0 Anodyne ref ACAARO O=C(c1cccnc1)N1CC[NH2+]CC1 COC(=O)CCc1csc(N)n1 ZINC000000273627 08/89/58/168088958 JWDGXHZFNYKFGE-UHFFFAOYSA-N 0 186.236 AC 0.831 0 Anodyne ref ACAARN COC(=O)CCc1csc(N)n1 C1CC(N2CCOCC2)CCN1 ZINC000000299484 08/29/64/166082964 YYBXNWIRMJXEQJ-UHFFFAOYSA-N 2 170.256 AC 0.071 2 Anodyne low ACAALP C1CC([NH+]2CCOCC2)CC[NH2+]1 C1CC(N2CCOCC2)CCN1 ZINC000000299484 08/29/59/166082959 YYBXNWIRMJXEQJ-UHFFFAOYSA-N 1 170.256 AC 0.071 0 Anodyne ref ACAARO C1CC(N2CCOCC2)CC[NH2+]1 Cn1c(N)cc(=O)[nH]c1=S ZINC000000330417 03/32/79/169033279 CIMIOUTTYHCOJU-UHFFFAOYSA-N -1 157.198 AC 0.025 1 Anodyne mid ACAAMM Cn1c(N)cc(=O)[n-]c1=S Cn1c(N)cc(=O)[nH]c1=S ZINC000000330417 03/32/77/169033277 CIMIOUTTYHCOJU-UHFFFAOYSA-N 0 157.198 AC 0.025 0 Anodyne ref ACAARN Cn1c(N)cc(=O)[nH]c1=S NC(=O)c1cnc2ccccc2n1 ZINC000000330532 93/32/99/342933299 CGJMVNVWQHPASW-UHFFFAOYSA-N 0 173.175 AC 0.729 0 Anodyne ref ACAARN NC(=O)c1cnc2ccccc2n1 Cn1ccnc1CC#N ZINC000000331886 05/27/54/169052754 FCQJYRPVEODPHA-UHFFFAOYSA-N 0 121.143 AC 0.486 0 Mild ref ACEARN Cn1ccnc1CC#N N#Cc1cc(N)ccc1O ZINC000000331906 11/74/74/169117474 CKAOIPFLGXRQSV-UHFFFAOYSA-N -1 134.138 AC 0.846 3 Mild high ACEAHM N#Cc1cc(N)ccc1[O-] N#Cc1cc(N)ccc1O ZINC000000331906 11/74/73/169117473 CKAOIPFLGXRQSV-UHFFFAOYSA-N 0 134.138 AC 0.846 0 Mild ref ACEARN N#Cc1cc(N)ccc1O COc1coc(CO)cc1=O ZINC000000332235 28/13/07/168281307 RLWWKLWEBQOOAB-UHFFFAOYSA-N 0 156.137 AC 0.141 0 Anodyne ref ACAARN COc1coc(CO)cc1=O Cn1ccc(C(=O)O)cc1=O ZINC000000335970 04/55/67/169045567 XUKWOJNDLIOXSC-UHFFFAOYSA-N -1 153.137 AC 0.083 0 Anodyne ref ACAARM Cn1ccc(C(=O)[O-])cc1=O Cn1ccnc1SCC(=O)O ZINC000000336271 05/42/89/169054289 AGPAPZHHJYBAGE-UHFFFAOYSA-N -1 172.209 AC 0.597 0 Anodyne ref ACAARM Cn1ccnc1SCC(=O)[O-] CC(=O)Nc1cccc(C(=O)O)n1 ZINC000000343414 93/44/73/342934473 LOMWKYHCHCZVCC-UHFFFAOYSA-N 0 180.163 AC 0.738 2 Anodyne low ACAALN CC(=O)Nc1cccc(C(=O)[O-])[nH+]1 CC(=O)Nc1cccc(C(=O)O)n1 ZINC000000343414 93/44/71/342934471 LOMWKYHCHCZVCC-UHFFFAOYSA-N -1 180.163 AC 0.738 0 Anodyne ref ACAARM CC(=O)Nc1cccc(C(=O)[O-])n1 Cn1c(=O)n(CC#N)c2ccccc21 ZINC000000352567 02/96/13/169029613 PUHRXUBGHPMXEK-UHFFFAOYSA-N 0 187.202 AC 0.864 0 Mild ref ACEARN Cn1c(=O)n(CC#N)c2ccccc21 Nc1ccc2oc(=O)[nH]c2c1 ZINC000000369350 29/57/65/169295765 GJXXUHGUCBUXSL-UHFFFAOYSA-N 0 150.137 AC 0.703 0 Anodyne ref ACAARN Nc1ccc2oc(=O)[nH]c2c1 NC[C@H](O)c1ccc(O)cc1 ZINC000000388198 21/42/25/169214225 QHGUCRYDKWKLMG-QMMMGPOBSA-N 1 153.181 AC 0.384 0 Anodyne ref ACAARO [NH3+]C[C@H](O)c1ccc(O)cc1 world endogenous Nc1c(O)cccc1C(=O)O ZINC000000388292 41/10/00/574411000 WJXSWCUQABXPFS-UHFFFAOYSA-N -1 153.137 AC 0.673 0 Anodyne ref ACAARM Nc1c(O)cccc1C(=O)[O-] in-man endogenous CN(C)C(C)(C)CO ZINC000000388586 93/59/73/342935973 XRIBIDPMFSLGFS-UHFFFAOYSA-N 1 117.192 AC 0.319 0 Anodyne ref ACAARO C[NH+](C)C(C)(C)CO N[C@H](C(=O)O)c1ccc(F)cc1 ZINC000000388691 26/26/87/169262687 JKFYKCYQEWQPTM-ZETCQYMHSA-N -1 169.155 AC 0.91 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])c1ccc(F)cc1 in-vitro N[C@H](C(=O)O)c1ccc(F)cc1 ZINC000000388691 26/26/85/169262685 JKFYKCYQEWQPTM-ZETCQYMHSA-N 0 169.155 AC 0.91 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])c1ccc(F)cc1 in-vitro N[C@@H](C(=O)O)c1ccc(F)cc1 ZINC000000388692 24/15/31/169241531 JKFYKCYQEWQPTM-SSDOTTSWSA-N -1 169.155 AC 0.91 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])c1ccc(F)cc1