COc1ccc(O)c(C(C)(C)C)c1 ZINC000000001080 92/37/84/342923784 MRBKEAMVRSLQPH-UHFFFAOYSA-N 0 180.247 AF 2.698 0 Anodyne ref AFAARN COc1ccc(O)c(C(C)(C)C)c1 in-man endogenous Cc1c(Cl)ccc(N)c1Cl ZINC000000031315 92/42/68/342924268 FOYMVHMUBKHXLY-UHFFFAOYSA-N 0 176.046 AF 2.884 0 Anodyne ref AFAARN Cc1c(Cl)ccc(N)c1Cl Cc1ccc(-c2csc(N)n2)cc1 ZINC000000038083 92/44/29/342924429 ARLHWYFAPHJCJT-UHFFFAOYSA-N 0 190.271 AF 2.701 0 Anodyne ref AFAARN Cc1ccc(-c2csc(N)n2)cc1 c1coc(-c2nc3ccccc3[nH]2)c1 ZINC000000040234 26/78/41/351267841 UYJUZNLFJAWNEZ-UHFFFAOYSA-N 0 184.198 AF 2.823 0 Anodyne ref AFAARN c1coc(-c2nc3ccccc3[nH]2)c1 in-vitro N#Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000000040881 12/01/16/169120116 ZRMIETZFPZGBEB-UHFFFAOYSA-N 0 195.221 AF 2.931 0 Mild ref AFEARN N#Cc1ccc(-c2ccc(O)cc2)cc1 Cc1cc(C=O)c(C)n1-c1ccccc1 ZINC000000040934 92/48/95/342924895 LNROIXNEIZSESG-UHFFFAOYSA-N 0 199.253 AF 2.907 0 Clean ref AFCARN Cc1cc(C=O)c(C)n1-c1ccccc1 CC(=O)c1cc(C)c(O)c(Cl)c1 ZINC000000043874 31/62/28/166316228 VVKKDDJIRZNSMQ-UHFFFAOYSA-N 0 184.622 AF 2.557 2 Anodyne low AFAALN CC(=O)c1cc(C)c(O)c(Cl)c1 CC(=O)c1cc(C)c(O)c(Cl)c1 ZINC000000043874 31/62/17/166316217 VVKKDDJIRZNSMQ-UHFFFAOYSA-N -1 184.622 AF 2.557 0 Anodyne ref AFAARM CC(=O)c1cc(C)c([O-])c(Cl)c1 Cc1[nH]c(=S)c(C#N)c(C)c1C ZINC000000050419 92/50/75/342925075 PLYXVRVYCQKRHS-UHFFFAOYSA-N 0 178.26 AF 2.541 0 Mild ref AFEARN Cc1[nH]c(=S)c(C#N)c(C)c1C c1cncc(-c2nc3ccccc3[nH]2)c1 ZINC000000050724 48/36/92/169483692 BOUOQESVDURNSB-UHFFFAOYSA-N 0 195.225 AF 2.625 0 Anodyne ref AFAARN c1cncc(-c2nc3ccccc3[nH]2)c1 in-vitro Cc1c(Cl)cc(N)c(O)c1Cl ZINC000000056851 92/48/82/342924882 QDOGSLSGLUTSQL-UHFFFAOYSA-N -1 192.045 AF 2.59 3 Anodyne high AFAAHM Cc1c(Cl)cc(N)c([O-])c1Cl Cc1c(Cl)cc(N)c(O)c1Cl ZINC000000056851 92/48/79/342924879 QDOGSLSGLUTSQL-UHFFFAOYSA-N -1 192.045 AF 2.59 0 Anodyne ref AFAARM Cc1c(Cl)cc(N)c(O)c1Cl Cc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000061041 92/53/01/342925301 YAQKYKGFPQPPQE-UHFFFAOYSA-N 0 194.215 AF 2.513 0 Bother ref AFBARN Cc1nc2ccc([N+](=O)[O-])cc2s1 O=Cc1cc2ccccc2nc1Cl ZINC000000061503 40/41/99/169404199 SDKQWXCBSNMYBN-UHFFFAOYSA-N 0 191.617 AF 2.701 0 Anodyne ref AFAARN O=Cc1cc2ccccc2nc1Cl O=C(O)C1(c2ccccc2)CCCC1 ZINC000000062072 92/55/72/342925572 RHPCYZLXNNRRMB-UHFFFAOYSA-N -1 190.242 AF 2.583 0 Anodyne ref AFAARM O=C([O-])C1(c2ccccc2)CCCC1 CCc1c(C)[nH]c(=S)c(C#N)c1C ZINC000000062977 92/53/13/342925313 IMLGWNWCXQYTLB-UHFFFAOYSA-N 0 192.287 AF 2.795 0 Mild ref AFEARN CCc1c(C)[nH]c(=S)c(C#N)c1C CNCc1cc2ccccc2s1 ZINC000000064947 01/69/01/168016901 FKHVKIIMXLUFHI-UHFFFAOYSA-N 1 177.272 AF 2.621 0 Anodyne ref AFAARO C[NH2+]Cc1cc2ccccc2s1 FC(F)(F)c1nc2ccccc2[nH]1 ZINC000000073738 92/58/73/342925873 MXFMPTXDHSDMTI-UHFFFAOYSA-N 0 186.136 AF 2.582 0 Anodyne ref AFAARN FC(F)(F)c1nc2ccccc2[nH]1 in-vitro O=C(O)c1ccc2c3c(cccc13)CC2 ZINC000000080395 99/16/54/170991654 DXKAWGBIIVQFIE-UHFFFAOYSA-N -1 198.221 AF 2.637 0 Anodyne ref AFAARM O=C([O-])c1ccc2c3c(cccc13)CC2 O=C1CCCc2c1[nH]c1ccccc21 ZINC000000081096 37/23/49/169372349 PDZIFGIQUYFQGK-UHFFFAOYSA-N 0 185.226 AF 2.687 0 Anodyne ref AFAARN O=C1CCCc2c1[nH]c1ccccc21 Brc1ccc2[nH]ccc2c1 ZINC000000081120 92/58/42/342925842 VXWVFZFZYXOBTA-UHFFFAOYSA-N 0 196.047 AF 2.93 0 Anodyne ref AFAARN Brc1ccc2[nH]ccc2c1 in-vitro CC(=O)c1sc(C(C)(C)C)cc1N ZINC000000081840 33/60/35/166336035 RBLSJHKIPYUAAF-UHFFFAOYSA-N 0 197.303 AF 2.83 0 Anodyne ref AFAARN CC(=O)c1sc(C(C)(C)C)cc1N Cc1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000000085497 92/63/12/342926312 ITWUGZSJDMBOPH-UHFFFAOYSA-N 0 199.253 AF 2.995 0 Anodyne ref AFAARN Cc1ccc2[nH]c3c(c2c1)CCCC3=O in-vitro biogenic COC(=O)c1cc2ccccc2s1 ZINC000000093073 12/97/48/168129748 KRRAZMUPVIGDCU-UHFFFAOYSA-N 0 192.239 AF 2.688 0 Anodyne ref AFAARN COC(=O)c1cc2ccccc2s1 O=[N+]([O-])/C=C/c1ccc(Cl)cc1 ZINC000000097583 92/69/19/342926919 GLJATYFHELDGEA-AATRIKPKSA-N 0 183.594 AF 2.587 0 Anodyne ref AFAARN O=[N+]([O-])/C=C/c1ccc(Cl)cc1 Cc1sc2ncnc(Cl)c2c1C ZINC000000097769 01/56/29/169015629 HYOBKTVPACQCBR-UHFFFAOYSA-N 0 198.678 AF 2.962 0 Anodyne ref AFAARN Cc1sc2ncnc(Cl)c2c1C Cc1ccc2oc(=S)[nH]c2c1 ZINC000000100723 92/69/44/342926944 SSWZUOXLFTXIEZ-UHFFFAOYSA-N -1 165.217 AF 2.799 0 Anodyne ref AFAARM Cc1ccc2oc(=S)[n-]c2c1 O=C(O)CC12CC3CC(CC(C3)C1)C2 ZINC000000107420 99/16/09/170991609 AOTQGWFNFTVXNQ-UHFFFAOYSA-N -1 194.274 AF 2.678 0 Anodyne ref AFAARM O=C([O-])CC12CC3CC(CC(C3)C1)C2 CCn1cc(C#N)c2ccccc21 ZINC000000107578 92/68/29/342926829 CSYGELDKHGSKMU-UHFFFAOYSA-N 0 170.215 AF 2.533 0 Mild ref AFEARN CCn1cc(C#N)c2ccccc21 COc1ccc(C=O)c2ccccc12 ZINC000000119253 24/76/46/168247646 MVXMNHYVCLMLDD-UHFFFAOYSA-N 0 186.21 AF 2.661 0 Anodyne ref AFAARN COc1ccc(C=O)c2ccccc12 Nc1ccc(OCc2ccccc2)cc1 ZINC000000119304 29/24/55/169292455 FIIDVVUUWRJXLF-UHFFFAOYSA-N 0 199.253 AF 2.848 0 Clean ref AFCARN Nc1ccc(OCc2ccccc2)cc1 CCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000000119381 36/43/50/167364350 VIMXTGUGWLAOFZ-NXEZZACHSA-N 0 196.29 AF 2.788 0 Anodyne ref AFAARN CCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C in-vitro CCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000000119385 35/33/06/167353306 VIMXTGUGWLAOFZ-ZJUUUORDSA-N 0 196.29 AF 2.788 0 Anodyne ref AFAARN CCOC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C in-vitro CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000000119386 36/39/83/167363983 VIMXTGUGWLAOFZ-VHSXEESVSA-N 0 196.29 AF 2.788 0 Anodyne ref AFAARN CCOC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C in-vitro CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000000119389 35/46/47/167354647 VIMXTGUGWLAOFZ-UWVGGRQHSA-N 0 196.29 AF 2.788 0 Anodyne ref AFAARN CCOC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C in-vitro CC(C)c1ccc(/C=C/C(=O)O)cc1 ZINC000000120434 92/74/35/342927435 SJDOOXOUSJDYFE-VMPITWQZSA-N -1 190.242 AF 2.908 0 Anodyne ref AFAARM CC(C)c1ccc(/C=C/C(=O)[O-])cc1 in-vitro biogenic CCSc1nc2ccccc2[nH]1 ZINC000000122664 27/10/15/351271015 UGCOPUIBNABIEP-UHFFFAOYSA-N 0 178.26 AF 2.675 0 Anodyne ref AFAARN CCSc1nc2ccccc2[nH]1 Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000126157 30/42/57/169304257 WSOKJBHBMAGBIP-UHFFFAOYSA-N 0 194.234 AF 2.531 0 Anodyne ref AFAARN Nc1nc(-c2ccc(F)cc2)cs1 CC(=O)c1ccc(OC(C)C)cc1 ZINC000000149357 32/50/64/166325064 YTKFPAFKJWBAFG-UHFFFAOYSA-N 0 178.231 AF 2.676 0 Anodyne ref AFAARN CC(=O)c1ccc(OC(C)C)cc1 N#Cc1cccnc1Oc1ccccc1 ZINC000000150807 12/66/57/169126657 KMQFYNLYTMIJPI-UHFFFAOYSA-N 0 196.209 AF 2.746 0 Mild ref AFEARN N#Cc1cccnc1Oc1ccccc1 c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000000151887 27/08/07/351270807 UYWWLYCGNNCLKE-UHFFFAOYSA-N 0 195.225 AF 2.625 0 Anodyne ref AFAARN c1ccc2[nH]c(-c3ccncc3)nc2c1 Cc1cc(Cl)n(-c2ccccc2)n1 ZINC000000153233 92/85/97/342928597 ZZOWFLAMMWOSCG-UHFFFAOYSA-N 0 192.649 AF 2.834 0 Anodyne ref AFAARN Cc1cc(Cl)n(-c2ccccc2)n1 Clc1ccc2cc[nH]c2c1 ZINC000000153934 02/38/14/169023814 YTYIMDRWPTUAHP-UHFFFAOYSA-N 0 151.596 AF 2.821 0 Anodyne ref AFAARN Clc1ccc2cc[nH]c2c1 in-vitro Nc1cc(-c2ccccc2)ccc1O ZINC000000154832 28/42/28/169284228 IGIDZGNPFWGICD-UHFFFAOYSA-N 0 185.226 AF 2.641 0 Anodyne ref AFAARN Nc1cc(-c2ccccc2)ccc1O aggregator COc1cccc2cc(C(C)=O)oc12 ZINC000000156175 27/61/98/168276198 MUUMFANQVPWPFY-UHFFFAOYSA-N 0 190.198 AF 2.644 0 Anodyne ref AFAARN COc1cccc2cc(C(C)=O)oc12 Clc1ccc2[nH]ccc2c1 ZINC000000157082 02/37/86/169023786 MYTGFBZJLDLWQG-UHFFFAOYSA-N 0 151.596 AF 2.821 0 Anodyne ref AFAARN Clc1ccc2[nH]ccc2c1 in-vitro Cc1[nH]c(=S)nc2ccccc12 ZINC000000157635 69/58/86/168695886 VSJBRYSRAMLVQU-UHFFFAOYSA-N 0 176.244 AF 2.601 0 Anodyne ref AFAARN Cc1[nH]c(=S)nc2ccccc12 Nc1ccccc1-c1ccccc1N ZINC000000157657 29/86/11/169298611 HOLGXWDGCVTMTB-UHFFFAOYSA-N 0 184.242 AF 2.518 0 Anodyne ref AFAARN Nc1ccccc1-c1ccccc1N O=Cc1cc2ccccc2s1 ZINC000000158704 40/39/41/169403941 NXSVNPSWARVMAY-UHFFFAOYSA-N 0 162.213 AF 2.714 0 Anodyne ref AFAARN O=Cc1cc2ccccc2s1 O=C(O)c1csc2ccccc12 ZINC000000158707 36/05/55/169360555 DRBLTQNCQJXSNU-UHFFFAOYSA-N -1 178.212 AF 2.6 0 Anodyne ref AFAARM O=C([O-])c1csc2ccccc12 CSc1nc2ccc(N)cc2s1 ZINC000000161318 31/38/34/168313834 GYCJZSAIEMSFAV-UHFFFAOYSA-N 0 196.3 AF 2.6 0 Anodyne ref AFAARN CSc1nc2ccc(N)cc2s1 Cc1ccc(SCCC(=O)O)cc1 ZINC000000161513 93/02/14/342930214 ZRYGVBRPRKRFHJ-UHFFFAOYSA-N -1 196.271 AF 2.562 0 Anodyne ref AFAARM Cc1ccc(SCCC(=O)[O-])cc1 CCCC(=O)c1ccc(OC)cc1 ZINC000000163628 83/52/60/166835260 JLCDSZXBELPBRD-UHFFFAOYSA-N 0 178.231 AF 2.678 0 Anodyne ref AFAARN CCCC(=O)c1ccc(OC)cc1 O=Cc1c[nH]c2ccc(Cl)cc12 ZINC000000164246 27/23/44/351272344 YXEXOIGXNYITQH-UHFFFAOYSA-N 0 179.606 AF 2.634 0 Anodyne ref AFAARN O=Cc1c[nH]c2ccc(Cl)cc12 O=C(O)c1cc2cc(Cl)ccc2[nH]1 ZINC000000164954 35/63/84/169356384 FUQOTYRCMBZFOL-UHFFFAOYSA-N -1 195.605 AF 2.519 0 Anodyne ref AFAARM O=C([O-])c1cc2cc(Cl)ccc2[nH]1 in-vitro O=Cc1cccc(C(F)(F)F)c1 ZINC000000164958 93/05/21/342930521 NMTUHPSKJJYGML-UHFFFAOYSA-N 0 174.121 AF 2.518 0 Anodyne ref AFAARN O=Cc1cccc(C(F)(F)F)c1 O=Cc1cnc(-c2ccccc2)s1 ZINC000000168490 27/34/92/351273492 KKALNCQCDXQTCG-UHFFFAOYSA-N 0 189.239 AF 2.623 0 Anodyne ref AFAARN O=Cc1cnc(-c2ccccc2)s1 COc1ccc2sc(S)nc2c1 ZINC000000175230 26/58/23/168265823 JDPITNFDYXOKRM-UHFFFAOYSA-N -1 197.284 AF 2.594 0 Anodyne ref AFAARM COc1ccc2sc(=S)[n-]c2c1 Cn1c(=S)ccc2ccccc21 ZINC000000179465 03/14/18/169031418 PBRBGUUOYSTUHP-UHFFFAOYSA-N 0 175.256 AF 2.908 0 Anodyne ref AFAARN Cn1c(=S)ccc2ccccc21 COc1cccc2ccc(Cl)nc12 ZINC000000231970 27/65/38/168276538 IYADVMNJDHMUBV-UHFFFAOYSA-N 0 193.633 AF 2.897 0 Anodyne ref AFAARN COc1cccc2ccc(Cl)nc12 Oc1cccc2ccc(Cl)nc12 ZINC000000235879 45/91/52/169459152 HNUFDBQIXGQAEX-UHFFFAOYSA-N 0 179.606 AF 2.594 0 Anodyne ref AFAARN Oc1cccc2ccc(Cl)nc12 Cc1cc(C)c2cccnc2c1O ZINC000000235897 74/26/74/168742674 UKWMNFHGYXRSFQ-UHFFFAOYSA-N 0 173.215 AF 2.557 0 Anodyne ref AFAARN Cc1cc(C)c2cccnc2c1O Cc1ccc2c(C)cc(C)c(O)c2n1 ZINC000000235898 93/20/64/342932064 UPPOGIWKARTVGH-UHFFFAOYSA-N 1 187.242 AF 2.866 2 Anodyne low AFAALO Cc1ccc2c(C)cc(C)c(O)c2[nH+]1 Cc1ccc2c(C)cc(C)c(O)c2n1 ZINC000000235898 93/20/63/342932063 UPPOGIWKARTVGH-UHFFFAOYSA-N 0 187.242 AF 2.866 0 Anodyne ref AFAARN Cc1ccc2c(C)cc(C)c(O)c2n1 Cc1cc2[nH]c(=S)[nH]c2cc1C ZINC000000239005 93/20/87/342932087 CKUXMYYDAQIJRQ-UHFFFAOYSA-N 0 178.26 AF 2.842 0 Anodyne ref AFAARN Cc1cc2[nH]c(=S)[nH]c2cc1C Cc1c(CO)[nH]c2ccc(Cl)cc12 ZINC000000250111 93/23/76/342932376 QVGOHWPJESAKBZ-UHFFFAOYSA-N 0 195.649 AF 2.622 0 Anodyne ref AFAARN Cc1c(CO)[nH]c2ccc(Cl)cc12 Clc1ccc2ccccc2n1 ZINC000000262512 02/39/06/169023906 OFUFXTHGZWIDDB-UHFFFAOYSA-N 0 163.607 AF 2.888 0 Anodyne ref AFAARN Clc1ccc2ccccc2n1 Nc1ccc(-c2ccc(N)cc2)cc1 ZINC000000265747 29/05/81/169290581 HFACYLZERDEVSX-UHFFFAOYSA-N 0 184.242 AF 2.518 0 Anodyne ref AFAARN Nc1ccc(-c2ccc(N)cc2)cc1 in-man biogenic O=Cc1[nH]c2ccccc2c1Cl ZINC000000269794 40/14/56/169401456 IHPBJLYJOIUBDY-UHFFFAOYSA-N 0 179.606 AF 2.634 0 Anodyne ref AFAARN O=Cc1[nH]c2ccccc2c1Cl CC(=O)c1c(C)n(C)c2ccccc12 ZINC000000270393 31/34/41/166313441 RTIDNJAWGADXJK-UHFFFAOYSA-N 0 187.242 AF 2.689 0 Anodyne ref AFAARN CC(=O)c1c(C)n(C)c2ccccc12 Cc1c(C)c(C=O)c(C)c(C)c1C=O ZINC000000270914 70/74/59/168707459 PWVFZPCOVWTNCN-UHFFFAOYSA-N 0 190.242 AF 2.545 0 Anodyne ref AFAARN Cc1c(C)c(C=O)c(C)c(C)c1C=O NN(Cc1ccccc1)c1ccccc1 ZINC000000281808 23/31/54/169233154 SQMOOVFBFVTTGF-UHFFFAOYSA-N 0 198.269 AF 2.567 0 Anodyne ref AFAARN NN(Cc1ccccc1)c1ccccc1 FC(F)c1nc2ccccc2[nH]1 ZINC000000286488 07/47/25/169074725 PURNIHSRWGYONZ-UHFFFAOYSA-N 0 168.146 AF 2.5 0 Anodyne ref AFAARN FC(F)c1nc2ccccc2[nH]1 in-vitro C[C@H]1CCCC[C@H]1NCc1ccco1 ZINC000000293039 93/28/38/342932838 NBHGOQKKOCVQLI-CMPLNLGQSA-N 1 193.29 AF 2.948 0 Anodyne ref AFAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 C[C@@H]1CCCC[C@H]1NCc1ccco1 ZINC000000293040 27/46/22/351274622 NBHGOQKKOCVQLI-ZYHUDNBSSA-N 1 193.29 AF 2.948 0 Anodyne ref AFAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 C[C@H]1CCCC[C@@H]1NCc1ccco1 ZINC000000293042 93/29/17/342932917 NBHGOQKKOCVQLI-JQWIXIFHSA-N 1 193.29 AF 2.948 0 Anodyne ref AFAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 C[C@@H]1CCCC[C@@H]1NCc1ccco1 ZINC000000293045 27/41/61/351274161 NBHGOQKKOCVQLI-PWSUYJOCSA-N 1 193.29 AF 2.948 0 Anodyne ref AFAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 Cc1[nH]c2ccc(F)cc2c1C ZINC000000296612 93/28/20/342932820 PMOQBVDDGHQQEM-UHFFFAOYSA-N 0 163.195 AF 2.924 0 Anodyne ref AFAARN Cc1[nH]c2ccc(F)cc2c1C C=CCn1cc(C=O)c2ccccc21 ZINC000000308812 20/80/99/166208099 UFIVJAIYQNRQOK-UHFFFAOYSA-N 0 185.226 AF 2.64 0 Mild ref AFEARN C=CCn1cc(C=O)c2ccccc21 Cc1nc(-c2ccc(O)cc2)cs1 ZINC000000310338 93/32/49/342933249 HOAYTTLLVORNLA-UHFFFAOYSA-N 0 191.255 AF 2.824 0 Anodyne ref AFAARN Cc1nc(-c2ccc(O)cc2)cs1 c1ccc(CNCc2ccco2)cc1 ZINC000000322401 27/52/24/351275224 WDTGNYDDCJERKR-UHFFFAOYSA-N 0 187.242 AF 2.569 1 Anodyne mid AFAAMN c1ccc(CNCc2ccco2)cc1 c1ccc(CNCc2ccco2)cc1 ZINC000000322401 27/52/18/351275218 WDTGNYDDCJERKR-UHFFFAOYSA-N 1 187.242 AF 2.569 0 Anodyne ref AFAARO c1ccc(C[NH2+]Cc2ccco2)cc1 Clc1nnc(-c2ccccc2)s1 ZINC000000330093 02/75/24/169027524 ASSPGHHANNDMET-UHFFFAOYSA-N 0 196.662 AF 2.859 0 Anodyne ref AFAARN Clc1nnc(-c2ccccc2)s1 Cc1ccc(C=O)cc1Br ZINC000000330111 93/32/25/342933225 WTXXUAHMTVAQHW-UHFFFAOYSA-N 0 199.047 AF 2.57 0 Anodyne ref AFAARN Cc1ccc(C=O)cc1Br Cc1nc2ccccc2nc1Cl ZINC000000331724 93/36/61/342933661 PXDLUYLWPJMGJA-UHFFFAOYSA-N 0 178.622 AF 2.592 0 Anodyne ref AFAARN Cc1nc2ccccc2nc1Cl CCC(=O)c1ccc(Cl)s1 ZINC000000334210 77/70/54/166777054 CSXZVAKERASYSU-UHFFFAOYSA-N 0 174.652 AF 2.994 0 Anodyne ref AFAARN CCC(=O)c1ccc(Cl)s1 Nc1ccc(N2CCCCCC2)cc1 ZINC000000352045 29/26/02/169292602 RDUONPQXZRHVKQ-UHFFFAOYSA-N 0 190.29 AF 2.649 1 Clean mid AFCAMN Nc1ccc(N2CCCCCC2)cc1 Nc1ccc(N2CCCCCC2)cc1 ZINC000000352045 29/26/00/169292600 RDUONPQXZRHVKQ-UHFFFAOYSA-N 1 190.29 AF 2.649 0 Clean ref AFCARO Nc1ccc([NH+]2CCCCCC2)cc1 CC(=O)c1ccc(-n2cccc2)cc1 ZINC000000361438 32/14/07/166321407 DXDGPUOOPJCGOL-UHFFFAOYSA-N 0 185.226 AF 2.68 0 Anodyne ref AFAARN CC(=O)c1ccc(-n2cccc2)cc1 Nc1cccc(/C=C/c2ccncc2)c1 ZINC000000381985 29/53/88/169295388 PUIXZBUXAZDNAP-SNAWJCMRSA-N 0 196.253 AF 2.834 0 Anodyne ref AFAARN Nc1cccc(/C=C/c2ccncc2)c1 Clc1nccc2ccccc12 ZINC000000388359 02/84/76/169028476 MSQCQINLJMEVNJ-UHFFFAOYSA-N 0 163.607 AF 2.888 0 Anodyne ref AFAARN Clc1nccc2ccccc12 C[C@H]1CCc2cc(F)ccc2N1 ZINC000000389571 40/72/76/136407276 BDCCXYVTXRUGAN-ZETCQYMHSA-N 0 165.211 AF 2.572 0 Anodyne ref AFAARN C[C@H]1CCc2cc(F)ccc2N1 in-vitro C[C@@H]1CCc2cc(F)ccc2N1 ZINC000000389572 27/79/59/351277959 BDCCXYVTXRUGAN-SSDOTTSWSA-N 0 165.211 AF 2.572 0 Anodyne ref AFAARN C[C@@H]1CCc2cc(F)ccc2N1 in-vitro Cc1ccc(C(C)C)c(O)c1C(=O)O ZINC000000389607 93/59/62/342935962 FNWNGQGTFICQJU-UHFFFAOYSA-N -1 194.23 AF 2.522 0 Anodyne ref AFAARM Cc1ccc(C(C)C)c(O)c1C(=O)[O-] in-vitro COc1ccc2ccc(O)cc2c1 ZINC000000389780 26/49/08/168264908 UNFNRIIETORURP-UHFFFAOYSA-N 0 174.199 AF 2.554 0 Anodyne ref AFAARN COc1ccc2ccc(O)cc2c1 COc1ccc2nccc(Cl)c2c1 ZINC000000393989 26/60/84/168266084 BEOVBLPXVFICSP-UHFFFAOYSA-N 0 193.633 AF 2.897 0 Anodyne ref AFAARN COc1ccc2nccc(Cl)c2c1 CCCC(=O)c1cccs1 ZINC000000394340 93/72/28/342937228 YXHIINNJOGKPLF-UHFFFAOYSA-N 0 154.234 AF 2.731 0 Anodyne ref AFAARN CCCC(=O)c1cccs1 in-man endogenous Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000394633 93/74/75/342937475 NICFDLORAOTXMD-UHFFFAOYSA-N 1 166.611 AF 2.525 2 Anodyne low AFAALO Cc1[nH]c2ccc(Cl)cc2[nH+]1 Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000394633 93/74/73/342937473 NICFDLORAOTXMD-UHFFFAOYSA-N 0 166.611 AF 2.525 1 Anodyne mid AFAAMN Cc1nc2ccc(Cl)cc2[nH]1 Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000394633 93/74/71/342937471 NICFDLORAOTXMD-UHFFFAOYSA-N 0 166.611 AF 2.525 0 Anodyne ref AFAARN Cc1nc2cc(Cl)ccc2[nH]1