O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000000001430 50/31/23/169503123 APBSKHYXXKHJFK-UHFFFAOYSA-N -1 253.71 CG 3.091 0 Anodyne ref CGAARM O=C([O-])Cc1csc(-c2ccc(Cl)cc2)n1 in-man Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000004448 86/26/01/274862601 FELGMEQIXOGIFQ-CYBMUJFWSA-N 1 293.37 CG 3.129 1 Anodyne mid CGAAMO Cc1[nH+]ccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O fda Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000004448 86/26/00/274862600 FELGMEQIXOGIFQ-CYBMUJFWSA-N 0 293.37 CG 3.129 0 Anodyne ref CGAARN Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O fda COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000006016 26/98/16/368269816 PNVNVHUZROJLTJ-MRXNPFEDSA-N 0 277.408 CG 3.036 3 Anodyne high CGAAHN COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 fda COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000006016 26/98/12/368269812 PNVNVHUZROJLTJ-MRXNPFEDSA-N 1 277.408 CG 3.036 0 Anodyne ref CGAARO COc1ccc([C@@H](C[NH+](C)C)C2(O)CCCCC2)cc1 fda Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000000027774 27/14/41/368271441 PLKDBJVOCNTMRL-UHFFFAOYSA-N -1 260.68 CG 3.436 3 Anodyne high CGAAHM Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000000027774 27/14/32/368271432 PLKDBJVOCNTMRL-UHFFFAOYSA-N 0 260.68 CG 3.436 0 Anodyne ref CGAARN Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 COc1ccc2c(OC)c3ccoc3nc2c1OC ZINC000000035525 43/29/17/286432917 SLSIBLKBHNKZTB-UHFFFAOYSA-N 0 259.261 CG 3.007 0 Anodyne ref CGAARN COc1ccc2c(OC)c3ccoc3nc2c1OC in-vitro biogenic COc1ccc(C=O)cc1CSc1ccccn1 ZINC000000035774 27/43/11/368274311 ZNIMAFXWOSZUPB-UHFFFAOYSA-N 0 259.33 CG 3.195 0 Anodyne ref CGAARN COc1ccc(C=O)cc1CSc1ccccn1 COc1cc(N)ccc1NC(=O)c1cc2ccccc2o1 ZINC000000038191 27/46/74/368274674 KONPKGRNCLCEDI-UHFFFAOYSA-N 0 282.299 CG 3.276 0 Anodyne ref CGAARN COc1cc(N)ccc1NC(=O)c1cc2ccccc2o1 O=C(O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000000038221 51/30/33/169513033 MBBOXTWFFMVNRN-UHFFFAOYSA-N -1 266.252 CG 3.158 0 Anodyne ref CGAARM O=C([O-])c1ccc(-c2cc3ccccc3oc2=O)cc1 CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000000056456 27/92/33/368279233 VVBLNCFGVYUYGU-UHFFFAOYSA-N 0 268.36 CG 3.05 0 Anodyne ref CGAARN CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1 in-vitro O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000000056527 27/93/82/368279382 YWECCEXWKFHHQJ-UHFFFAOYSA-N -1 260.676 CG 3.269 0 Anodyne ref CGAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)cc1 in-vitro NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000057128 27/97/60/368279760 WKPDXBXNJWWWGQ-UHFFFAOYSA-N 1 266.344 CG 3.248 0 Anodyne ref CGAARO [NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12 in-vivo COc1ccc(CC(=O)c2ccc(OC)cc2)cc1 ZINC000000057138 28/00/22/368280022 SICBLYCPRWNHHP-UHFFFAOYSA-N 0 256.301 CG 3.129 0 Anodyne ref CGAARN COc1ccc(CC(=O)c2ccc(OC)cc2)cc1 Cc1c(-c2ccccc2)oc2c(C(=O)O)cccc2c1=O ZINC000000057646 90/63/08/391906308 KMMBBZOSQNLLMN-UHFFFAOYSA-N -1 280.279 CG 3.467 0 Anodyne ref CGAARM Cc1c(-c2ccccc2)oc2c(C(=O)[O-])cccc2c1=O in-vitro COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 ZINC000000058028 27/93/32/368279332 VGYCHSOZFBOOKO-UHFFFAOYSA-N 0 268.268 CG 3.174 1 Anodyne mid CGAAMN COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 ZINC000000058028 27/93/22/368279322 VGYCHSOZFBOOKO-UHFFFAOYSA-N 0 268.268 CG 3.174 0 Anodyne ref CGAARN COc1ccc(-c2cc3ccc([O-])cc3oc2=O)cc1 Cc1c(C(=O)O)sc2nc(-c3ccccc3)cn12 ZINC000000065079 95/04/84/300950484 PLPFFNBQLCHDKH-UHFFFAOYSA-N -1 258.302 CG 3.069 0 Anodyne ref CGAARM Cc1c(C(=O)[O-])sc2nc(-c3ccccc3)cn12 COc1ccc(C(=O)c2oc3ccccc3c2N)cc1 ZINC000000065082 28/18/41/368281841 BLZJBFVSORKWST-UHFFFAOYSA-N 0 267.284 CG 3.255 0 Anodyne ref CGAARN COc1ccc(C(=O)c2oc3ccccc3c2N)cc1 Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12 ZINC000000073672 28/27/64/368282764 IDFOCEQDKOOOER-UHFFFAOYSA-N -1 266.296 CG 3.398 1 Anodyne mid CGAAMM Cc1c(Cc2ccccc2)c(=O)oc2cc([O-])ccc12 Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12 ZINC000000073672 28/27/58/368282758 IDFOCEQDKOOOER-UHFFFAOYSA-N 0 266.296 CG 3.398 0 Anodyne ref CGAARN Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12 O=C(O)c1cccc2c(Br)cccc12 ZINC000000074123 26/54/63/304265463 SZFXXNVLSUTKJF-UHFFFAOYSA-N -1 251.079 CG 3.301 0 Anodyne ref CGAARM O=C([O-])c1cccc2c(Br)cccc12 Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000075126 28/26/99/368282699 FELGMEQIXOGIFQ-ZDUSSCGKSA-N 1 293.37 CG 3.129 1 Anodyne mid CGAAMO Cc1[nH+]ccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O fda Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000075126 28/26/94/368282694 FELGMEQIXOGIFQ-ZDUSSCGKSA-N 0 293.37 CG 3.129 0 Anodyne ref CGAARN Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O fda Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000000076651 28/31/19/368283119 LQUUHYBNHKLHAB-UHFFFAOYSA-N 0 272.373 CG 3.461 0 Anodyne ref CGAARN Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 Cn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21 ZINC000000103860 53/70/72/169537072 LJLNQCQLVWSNHV-UHFFFAOYSA-N 0 281.146 CG 3.125 0 Anodyne ref CGAARN Cn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21 O=C(O)c1c2c(nc3ccc(F)cc13)CCCCC2 ZINC000000111588 53/97/05/169539705 HBSUFSHHGHJZSE-UHFFFAOYSA-N -1 259.28 CG 3.341 0 Anodyne ref CGAARM O=C([O-])c1c2c(nc3ccc(F)cc13)CCCCC2 OCc1ccc(-c2ccc(Br)cc2)o1 ZINC000000118230 29/50/17/368295017 QUJXBDJGUNCYHC-UHFFFAOYSA-N 0 253.095 CG 3.201 0 Anodyne ref CGAARN OCc1ccc(-c2ccc(Br)cc2)o1 Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1 ZINC000000118408 25/22/88/282252288 ZGYRGRPALXURFX-UHFFFAOYSA-N 0 289.342 CG 3.306 0 Anodyne ref CGAARN Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1 Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000123096 29/57/06/368295706 CKGKGFIABWHZOO-UHFFFAOYSA-N -1 260.68 CG 3.436 3 Anodyne high CGAAHM Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000123096 29/57/01/368295701 CKGKGFIABWHZOO-UHFFFAOYSA-N 0 260.68 CG 3.436 0 Anodyne ref CGAARN Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 ZINC000000123123 29/59/46/368295946 YMGWUQOUHMKTFE-UHFFFAOYSA-N 0 260.3 CG 3.156 0 Anodyne ref CGAARN Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 aggregator O=C(O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000000133437 24/42/79/304244279 MPRKNOQRXNTZGV-UHFFFAOYSA-N -1 252.653 CG 3.21 0 Anodyne ref CGAARM O=C([O-])c1ccc(COc2ccc(Cl)cc2)o1 Cc1cc2nc(-c3cc(N)ccc3O)oc2cc1C ZINC000000154722 55/64/95/169556495 JONUVAAJQWPMGU-UHFFFAOYSA-N -1 254.289 CG 3.399 3 Anodyne high CGAAHM Cc1cc2nc(-c3cc(N)ccc3[O-])oc2cc1C Cc1cc2nc(-c3cc(N)ccc3O)oc2cc1C ZINC000000154722 55/64/93/169556493 JONUVAAJQWPMGU-UHFFFAOYSA-N 0 254.289 CG 3.399 0 Anodyne ref CGAARN Cc1cc2nc(-c3cc(N)ccc3O)oc2cc1C C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 ZINC000000155697 90/74/00/391907400 KMPWYEUPVWOPIM-KODHJQJWSA-N 1 294.398 CG 3.165 1 Mild mid CGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 world endogenous C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 ZINC000000155697 90/73/94/391907394 KMPWYEUPVWOPIM-KODHJQJWSA-N 1 294.398 CG 3.165 0 Mild ref CGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 world endogenous Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O ZINC000000167578 30/72/54/368307254 LZNWUXDMQPUUDR-UHFFFAOYSA-N -1 253.71 CG 3.47 0 Anodyne ref CGAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[O-] COc1ccc(-c2nc3cc(N)ccc3o2)cc1OC ZINC000000168864 30/73/89/368307389 WXHYQSJGVYVZKK-UHFFFAOYSA-N 0 270.288 CG 3.094 0 Anodyne ref CGAARN COc1ccc(-c2nc3cc(N)ccc3o2)cc1OC CCOC(=O)c1[nH]c2ccc(Br)cc2c1C ZINC000000174773 56/40/85/169564085 GOXWQFATJUZNBR-UHFFFAOYSA-N 0 282.137 CG 3.416 0 Anodyne ref CGAARN CCOC(=O)c1[nH]c2ccc(Br)cc2c1C O=C(O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000000178821 23/00/96/304230096 MYPDSPQSFHXXTF-UHFFFAOYSA-N -1 267.078 CG 3.407 0 Anodyne ref CGAARM O=C([O-])c1ccc(-c2ccc(Br)cc2)o1 Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1 ZINC000000193369 31/29/80/368312980 MODPOLBGQUBGFN-UHFFFAOYSA-N -1 264.284 CG 3.182 0 Anodyne ref CGAARM Nc1cccc(-c2cc(C(=O)[O-])c3ccccc3n2)c1 O=C(O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000000198479 25/48/98/304254898 UGDDIMJKYOAQNT-UHFFFAOYSA-N -1 266.252 CG 3.158 0 Anodyne ref CGAARM O=C([O-])c1cccc(-c2cc3ccccc3oc2=O)c1 CC(=O)N1c2ccccc2CCc2ccc(N)cc21 ZINC000000229386 02/17/59/277021759 SEUMPHLDWPKWRO-UHFFFAOYSA-N 0 252.317 CG 3.052 0 Anodyne ref CGAARN CC(=O)N1c2ccccc2CCc2ccc(N)cc21 Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)O)o1 ZINC000000233430 31/99/80/368319980 CGSJRTMBJMQGOB-QPJJXVBHSA-N -1 273.244 CG 3.261 0 Bother ref CGBARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)[O-])o1 COc1ccc(-c2nc3cc(C)ccc3o2)cc1N ZINC000000235978 26/47/33/286264733 KZEVRQKQRHFTCW-UHFFFAOYSA-N 0 254.289 CG 3.394 0 Anodyne ref CGAARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1N CC(C)OC(=O)[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000000238364 32/12/60/368321260 LVZPYQMBOPESIL-MRVPVSSYSA-N 0 259.708 CG 3.231 0 Anodyne ref CGAARN CC(C)OC(=O)[C@@H](C)Nc1ccc(F)c(Cl)c1 CC(C)OC(=O)[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000000238366 58/29/02/169582902 LVZPYQMBOPESIL-QMMMGPOBSA-N 0 259.708 CG 3.231 0 Anodyne ref CGAARN CC(C)OC(=O)[C@H](C)Nc1ccc(F)c(Cl)c1 Cc1cc2nc(-c3ccc(N)cc3O)oc2cc1C ZINC000000266737 32/80/92/368328092 BSAWHNWSRZWUGB-UHFFFAOYSA-N -1 254.289 CG 3.399 3 Anodyne high CGAAHM Cc1cc2nc(-c3ccc(N)cc3[O-])oc2cc1C Cc1cc2nc(-c3ccc(N)cc3O)oc2cc1C ZINC000000266737 32/80/86/368328086 BSAWHNWSRZWUGB-UHFFFAOYSA-N 0 254.289 CG 3.399 0 Anodyne ref CGAARN Cc1cc2nc(-c3ccc(N)cc3O)oc2cc1C Cc1cc(N)ccc1-c1cc2ccccc2oc1=O ZINC000000266887 92/93/92/291929392 QOOIOAQDDXPZJW-UHFFFAOYSA-N 0 251.285 CG 3.351 0 Anodyne ref CGAARN Cc1cc(N)ccc1-c1cc2ccccc2oc1=O COc1ccc([C@@H](CN)c2c[nH]c3ccccc23)cc1 ZINC000000271631 32/94/37/368329437 IUZLJHFEVNYLAW-OAHLLOKOSA-N 1 266.344 CG 3.267 0 Anodyne ref CGAARO COc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc23)cc1 COc1ccc([C@H](CN)c2c[nH]c3ccccc23)cc1 ZINC000000271634 32/93/73/368329373 IUZLJHFEVNYLAW-HNNXBMFYSA-N 1 266.344 CG 3.267 0 Anodyne ref CGAARO COc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc23)cc1 Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1N ZINC000000279679 02/65/30/292026530 MXUDIJQELFVTIB-UHFFFAOYSA-N 0 266.348 CG 3.435 0 Anodyne ref CGAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1N O=C(O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000287379 59/76/13/169597613 CNLLGXYTUMEWOA-CYBMUJFWSA-N -1 270.284 CG 3.022 0 Anodyne ref CGAARM O=C([O-])C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 O=C(O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000287381 33/30/65/368333065 CNLLGXYTUMEWOA-ZDUSSCGKSA-N -1 270.284 CG 3.022 0 Anodyne ref CGAARM O=C([O-])C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 Cc1ccc2nc(NCC(=O)O)nc(-c3ccccc3)c2c1 ZINC000000307121 33/79/68/368337968 HZDXKIPWPBDGTG-UHFFFAOYSA-N -1 293.326 CG 3.102 0 Anodyne ref CGAARM Cc1ccc2nc(NCC(=O)[O-])nc(-c3ccccc3)c2c1 O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12 ZINC000000307531 33/87/65/368338765 QSPKURPSCTYUBO-UHFFFAOYSA-N 0 256.232 CG 3.305 2 Anodyne low CGAALN O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12 O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12 ZINC000000307531 33/87/61/368338761 QSPKURPSCTYUBO-UHFFFAOYSA-N -1 256.232 CG 3.305 0 Anodyne ref CGAARM O=c1c(-c2ccc(F)cc2)coc2cc([O-])ccc12 O=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12 ZINC000000308836 33/87/88/368338788 CVNRWJPNNAPGIN-UHFFFAOYSA-N 0 278.311 CG 3.093 0 Anodyne ref CGAARN O=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12 Cc1nn(-c2ccccc2)c2sc(C(=O)O)cc12 ZINC000000309706 72/65/47/302726547 KIBNFCSPPOYXPP-UHFFFAOYSA-N -1 258.302 CG 3.094 0 Anodyne ref CGAARM Cc1nn(-c2ccccc2)c2sc(C(=O)[O-])cc12 COc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C ZINC000000314066 99/40/94/277994094 VPDSGUDJGGDJMS-UHFFFAOYSA-N 0 273.361 CG 3.201 0 Anodyne ref CGAARN COc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C COc1ccc2[nH]c(C)c(-c3csc(N)n3)c2c1 ZINC000000314070 43/23/55/277432355 VKPPEJCJEVDLLQ-UHFFFAOYSA-N 0 259.334 CG 3.191 0 Anodyne ref CGAARN COc1ccc2[nH]c(C)c(-c3csc(N)n3)c2c1 Nc1nnc(COc2ccc(Cl)cc2Cl)s1 ZINC000000322763 34/07/17/368340717 GTSLKQLOFRYRTJ-UHFFFAOYSA-N 0 276.148 CG 3.006 0 Anodyne ref CGAARN Nc1nnc(COc2ccc(Cl)cc2Cl)s1 Cc1cc(C)c2oc(-c3cc(N)ccc3O)nc2c1 ZINC000000352043 34/58/53/368345853 SFNKCCNSFCFLKT-UHFFFAOYSA-N -1 254.289 CG 3.399 3 Anodyne high CGAAHM Cc1cc(C)c2oc(-c3cc(N)ccc3[O-])nc2c1 Cc1cc(C)c2oc(-c3cc(N)ccc3O)nc2c1 ZINC000000352043 34/58/47/368345847 SFNKCCNSFCFLKT-UHFFFAOYSA-N 0 254.289 CG 3.399 0 Anodyne ref CGAARN Cc1cc(C)c2oc(-c3cc(N)ccc3O)nc2c1 CC1(C)C[C@@H]([C@@H](CC(=O)O)c2ccccc2)CCO1 ZINC000000360029 31/96/35/281319635 BJEUBLWZXDCPQM-KBPBESRZSA-N -1 262.349 CG 3.45 0 Anodyne ref CGAARM CC1(C)C[C@@H]([C@@H](CC(=O)[O-])c2ccccc2)CCO1 CC1(C)C[C@H]([C@@H](CC(=O)O)c2ccccc2)CCO1 ZINC000000360032 36/10/49/281361049 BJEUBLWZXDCPQM-KGLIPLIRSA-N -1 262.349 CG 3.45 0 Anodyne ref CGAARM CC1(C)C[C@H]([C@@H](CC(=O)[O-])c2ccccc2)CCO1 CC1(C)C[C@@H]([C@H](CC(=O)O)c2ccccc2)CCO1 ZINC000000360035 34/72/75/368347275 BJEUBLWZXDCPQM-UONOGXRCSA-N -1 262.349 CG 3.45 0 Anodyne ref CGAARM CC1(C)C[C@@H]([C@H](CC(=O)[O-])c2ccccc2)CCO1 CC1(C)C[C@H]([C@H](CC(=O)O)c2ccccc2)CCO1 ZINC000000360039 36/11/13/281361113 BJEUBLWZXDCPQM-ZIAGYGMSSA-N -1 262.349 CG 3.45 0 Anodyne ref CGAARM CC1(C)C[C@H]([C@H](CC(=O)[O-])c2ccccc2)CCO1 COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3 ZINC000000402848 27/31/81/295273181 MKXZASYAUGDDCJ-CGTJXYLNSA-N 1 271.404 CG 3.383 1 Anodyne mid CGAAMO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](C)CC3 world COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3 ZINC000000402848 27/31/77/295273177 MKXZASYAUGDDCJ-CGTJXYLNSA-N 1 271.404 CG 3.383 0 Anodyne ref CGAARO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](C)CC3 world C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 ZINC000000404802 35/89/02/368358902 KMPWYEUPVWOPIM-YXUGBTPSSA-N 1 294.398 CG 3.165 1 Mild mid CGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 world endogenous C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 ZINC000000404802 35/88/98/368358898 KMPWYEUPVWOPIM-YXUGBTPSSA-N 1 294.398 CG 3.165 0 Mild ref CGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 world endogenous Cc1c(O[C@@H](C)C(=O)O)ccc2c1oc(=O)c1ccccc12 ZINC000000407127 35/97/18/368359718 VIIZLJIIHXCDDN-JTQLQIEISA-N -1 298.294 CG 3.107 0 Bother ref CGBARM Cc1c(O[C@@H](C)C(=O)[O-])ccc2c1oc(=O)c1ccccc12 Cc1c(O[C@H](C)C(=O)O)ccc2c1oc(=O)c1ccccc12 ZINC000000407128 35/97/96/368359796 VIIZLJIIHXCDDN-SNVBAGLBSA-N -1 298.294 CG 3.107 0 Bother ref CGBARM Cc1c(O[C@H](C)C(=O)[O-])ccc2c1oc(=O)c1ccccc12 O=C(O)c1cc(-c2ccncc2)nc2ccc(F)cc12 ZINC000000416407 36/12/12/368361212 IUBJPGMCQPRKGK-UHFFFAOYSA-N -1 268.247 CG 3.134 0 Anodyne ref CGAARM O=C([O-])c1cc(-c2ccncc2)nc2ccc(F)cc12 O=C(O)c1cc(-c2ccco2)nc2ccc(F)cc12 ZINC000000421767 21/96/68/304219668 YOZXLJZXXYVCFI-UHFFFAOYSA-N -1 257.22 CG 3.332 0 Anodyne ref CGAARM O=C([O-])c1cc(-c2ccco2)nc2ccc(F)cc12 COc1ccc(C=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000000501043 38/02/11/368380211 QYNVGINSVSUULG-UHFFFAOYSA-N 0 299.326 CG 3.045 0 Anodyne ref CGAARN COc1ccc(C=O)cc1COc1ccc(NC(C)=O)cc1 O=C(O)c1ccccc1-c1cc2ccccc2oc1=O ZINC000000517815 26/65/26/304266526 DACUXYCUJMGBFH-UHFFFAOYSA-N -1 266.252 CG 3.158 0 Anodyne ref CGAARM O=C([O-])c1ccccc1-c1cc2ccccc2oc1=O COc1ccc2c(c1O)-c1ccccc1CCN(C)C2 ZINC000000518229 38/23/65/368382365 ZGZXDJPQXTUPSG-UHFFFAOYSA-N 0 269.344 CG 3.056 1 Anodyne mid CGAAMN COc1ccc2c(c1O)-c1ccccc1CCN(C)C2 COc1ccc2c(c1O)-c1ccccc1CCN(C)C2 ZINC000000518229 38/23/60/368382360 ZGZXDJPQXTUPSG-UHFFFAOYSA-N 1 269.344 CG 3.056 1 Anodyne mid CGAAMO COc1ccc2c(c1O)-c1ccccc1CC[N@H+](C)C2 COc1ccc2c(c1O)-c1ccccc1CCN(C)C2 ZINC000000518229 38/23/52/368382352 ZGZXDJPQXTUPSG-UHFFFAOYSA-N 1 269.344 CG 3.056 0 Anodyne ref CGAARO COc1ccc2c(c1O)-c1ccccc1CC[N@@H+](C)C2 CN1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518486 38/27/44/368382744 TZRDBHMKTWECOV-INIZCTEOSA-N 0 253.349 CG 3.3 3 Anodyne high CGAAHN CN1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 in-vitro CN1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518486 38/27/35/368382735 TZRDBHMKTWECOV-INIZCTEOSA-N 1 253.349 CG 3.3 1 Anodyne mid CGAAMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 in-vitro CN1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518486 38/27/28/368382728 TZRDBHMKTWECOV-INIZCTEOSA-N 1 253.349 CG 3.3 0 Anodyne ref CGAARO C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 in-vitro CN1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518488 38/31/37/368383137 TZRDBHMKTWECOV-MRXNPFEDSA-N 0 253.349 CG 3.3 3 Anodyne high CGAAHN CN1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 in-vitro CN1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518488 38/31/31/368383131 TZRDBHMKTWECOV-MRXNPFEDSA-N 1 253.349 CG 3.3 1 Anodyne mid CGAAMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 in-vitro CN1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518488 38/31/26/368383126 TZRDBHMKTWECOV-MRXNPFEDSA-N 1 253.349 CG 3.3 0 Anodyne ref CGAARO C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 in-vitro Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000000526775 36/04/17/295360417 SGYSMLIWRDOTOT-UHFFFAOYSA-N 0 290.12 CG 3.235 0 Anodyne ref CGAARN Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 Nc1nnc(CC(c2ccccc2)c2ccccc2)s1 ZINC000000531364 38/36/27/368383627 MBAWYSQPIPBCDW-UHFFFAOYSA-N 0 281.384 CG 3.495 0 Anodyne ref CGAARN Nc1nnc(CC(c2ccccc2)c2ccccc2)s1 Cc1cc2nn(-c3cccc4ccccc34)nc2cc1N ZINC000000532766 91/05/72/391910572 OYIAMBODMBMDGO-UHFFFAOYSA-N 0 274.327 CG 3.464 0 Anodyne ref CGAARN Cc1cc2nn(-c3cccc4ccccc34)nc2cc1N Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1[N+](=O)[O-] ZINC000000533368 38/51/48/368385148 SEMPNPGHWOOIHI-FNORWQNLSA-N -1 273.244 CG 3.261 0 Bother ref CGBARM Cc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1[N+](=O)[O-] N[C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000000533385 38/51/89/368385189 DAMLMDCTLYBKGT-LBPRGKRZSA-N 1 271.751 CG 3.459 0 Anodyne ref CGAARO [NH3+][C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 N[C@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000000533386 38/50/25/368385025 DAMLMDCTLYBKGT-GFCCVEGCSA-N 1 271.751 CG 3.459 0 Anodyne ref CGAARO [NH3+][C@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000534198 38/54/63/368385463 QVFWXFHUDRVMCS-UHFFFAOYSA-N 0 252.273 CG 3.267 0 Clean ref CGCARN Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 O=C1/C(=C/c2ccc(F)cc2)Oc2cc(O)ccc21 ZINC000000539425 01/59/30/285015930 LRUJRAQGJJEHMX-AUWJEWJLSA-N -1 256.232 CG 3.148 1 Mild mid CGEAMM O=C1/C(=C/c2ccc(F)cc2)Oc2cc([O-])ccc21 O=C1/C(=C/c2ccc(F)cc2)Oc2cc(O)ccc21 ZINC000000539425 01/59/28/285015928 LRUJRAQGJJEHMX-AUWJEWJLSA-N 0 256.232 CG 3.148 0 Mild ref CGEARN O=C1/C(=C/c2ccc(F)cc2)Oc2cc(O)ccc21 O=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000000541997 38/56/61/368385661 VXFBRDXWYWWDJO-UHFFFAOYSA-N 0 251.625 CG 3.321 0 Bother ref CGBARN O=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1