C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000000000688 11/14/42/431111442 LOUPRKONTZGTKE-NIHZBZNOSA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 world C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000000000688 11/14/28/431111428 LOUPRKONTZGTKE-NIHZBZNOSA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 world Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 ZINC000000000931 11/13/44/431111344 QWGDMFLQWFTERH-UHFFFAOYSA-N 0 313.788 DG 3.429 3 Anodyne high DGAAHN Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 fda Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 ZINC000000000931 11/13/30/431111330 QWGDMFLQWFTERH-UHFFFAOYSA-N 0 313.788 DG 3.429 0 Anodyne ref DGAARN Clc1ccc2c(c1)C(N1CC[NH2+]CC1)=Nc1ccccc1O2 fda Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 ZINC000000003876 11/15/48/431111548 ZAFYATHCZYHLPB-UHFFFAOYSA-N 0 307.397 DG 3.249 0 Anodyne ref DGAARN Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 fda Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000000007368 11/22/27/431112227 SQKXYSGRELMAAU-UHFFFAOYSA-N 1 319.408 DG 3.053 1 Anodyne mid DGAAMO Cc1[nH+]ccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 world Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000000007368 11/22/15/431112215 SQKXYSGRELMAAU-UHFFFAOYSA-N 1 319.408 DG 3.053 0 Anodyne ref DGAARO Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1 world CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 ZINC000000009689 66/93/37/180669337 OELFLUMRDSZNSF-OFLPRAFFSA-N -1 317.429 DG 3.261 0 Anodyne ref DGAARM CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 fda O=C(O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000000156160 13/59/61/431135961 YPGYLCZBZKRYQJ-UHFFFAOYSA-N -1 318.169 DG 3.267 0 Anodyne ref DGAARM O=C([O-])c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F in-vitro Brc1ccnc(Br)c1Br ZINC000000330760 16/91/19/431169119 USXXIRQDHZXYHX-UHFFFAOYSA-N 0 315.79 DG 3.369 0 Anodyne ref DGAARN Brc1ccnc(Br)c1Br Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1 ZINC000000404817 17/28/56/292172856 OTPIOAHUBNERHE-UHFFFAOYSA-N 0 315.394 DG 3.167 0 Anodyne ref DGAARN Cc1ccc(S(=O)(=O)N2CCCC(=O)c3ccccc32)cc1 CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 ZINC000000898159 44/17/57/134441757 TXDUTHBFYKGSAH-SFHVURJKSA-N 0 303.365 DG 3.315 0 Clean ref DGCARN CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 in-vitro biogenic O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000001446432 22/92/27/431229227 YFSCBWDAVTYIMM-UHFFFAOYSA-N -1 310.397 DG 3.218 3 Anodyne high DGAAHM O=C([O-])C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 in-vitro O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000001446432 22/92/12/431229212 YFSCBWDAVTYIMM-UHFFFAOYSA-N 0 310.397 DG 3.218 0 Anodyne ref DGAARN O=C([O-])C1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 in-vitro N=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1 ZINC000001538319 22/93/20/431229320 UCAIEVHKDLMIFL-UHFFFAOYSA-N 2 308.838 DG 3.453 2 Anodyne low DGAALP [NH2+]=C(NCc1ccc(Cl)cc1)SCCCc1c[nH+]c[nH]1 investigational N=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1 ZINC000001538319 22/93/14/431229314 UCAIEVHKDLMIFL-UHFFFAOYSA-N 2 308.838 DG 3.453 2 Anodyne low DGAALP [NH2+]=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]c[nH+]1 investigational N=C(NCc1ccc(Cl)cc1)SCCCc1cnc[nH]1 ZINC000001538319 22/92/97/431229297 UCAIEVHKDLMIFL-UHFFFAOYSA-N 1 308.838 DG 3.453 0 Anodyne ref DGAARO [NH2+]=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1 investigational CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 ZINC000001542002 23/00/98/431230098 KKGQTZUTZRNORY-UHFFFAOYSA-N 1 307.478 DG 3.204 0 Mild ref DGEARO CCCCCCCCc1ccc(CCC([NH3+])(CO)CO)cc1 fda CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 ZINC000002031813 24/47/01/431244701 TXDUTHBFYKGSAH-GOSISDBHSA-N 0 303.365 DG 3.315 0 Clean ref DGCARN CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 in-vitro biogenic FC(F)(F)c1cnc(Cl)cc1I ZINC000002386527 25/26/79/431252679 XEEQBBXEZSNIQV-UHFFFAOYSA-N 0 307.44 DG 3.358 0 Anodyne ref DGAARN FC(F)(F)c1cnc(Cl)cc1I O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1 ZINC000003813003 26/52/33/280265233 DGBIGWXXNGSACT-UHFFFAOYSA-N 0 315.716 DG 3.038 0 Bother ref DGBARN O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1 fda C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831403 04/75/99/181047599 LOUPRKONTZGTKE-FEBSWUBLSA-N 1 324.424 DG 3.173 1 Mild mid DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 world C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000003831403 04/75/97/181047597 LOUPRKONTZGTKE-FEBSWUBLSA-N 1 324.424 DG 3.173 0 Mild ref DGEARO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 world COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 ZINC000003872605 05/06/87/181050687 CJOFXWAVKWHTFT-XSFVSMFZSA-N 0 318.339 DG 3.202 3 Mild high DGEAHN COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 fda COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1 ZINC000003872605 05/06/83/181050683 CJOFXWAVKWHTFT-XSFVSMFZSA-N 1 318.339 DG 3.202 0 Mild ref DGEARO COCCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1 fda Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2 ZINC000003995781 51/83/11/282518311 JNNOSTQEZICQQP-UHFFFAOYSA-N 0 312.804 DG 3.381 3 Anodyne high DGAAHN Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2 world Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2 ZINC000003995781 51/83/10/282518310 JNNOSTQEZICQQP-UHFFFAOYSA-N 1 312.804 DG 3.381 0 Anodyne ref DGAARO Clc1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1ccccc1N2 world CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 ZINC000003996032 06/04/43/181060443 CBQGYUDMJHNJBX-RTBURBONSA-N 0 313.397 DG 3.194 1 Anodyne mid DGAAMN CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 world CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1 ZINC000003996032 06/04/42/181060442 CBQGYUDMJHNJBX-RTBURBONSA-N 1 313.397 DG 3.194 0 Anodyne ref DGAARO CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1C[NH2+]CCO1 world CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)O)cc2)CC1 ZINC000004287350 38/26/21/278382621 LUVXDMFUUZGFST-UHFFFAOYSA-N -1 321.373 DG 3.163 0 Anodyne ref DGAARM CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)[O-])cc2)CC1 CN(C)S(=O)(=O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000005317817 81/62/86/276816286 KMMXCCWCGOUAGH-UHFFFAOYSA-N 0 306.412 DG 3.145 0 Anodyne ref DGABRN CN(C)S(=O)(=O)c1ccc2c(c1)Nc1ccccc1S2 CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@H](C)S2 ZINC000019615877 29/68/75/276296875 UUJUEXKIHKGFTH-LURJTMIESA-N 0 311.309 DG 3.081 0 Anodyne ref DGAARN CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@H](C)S2 in-vitro CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@@H](C)S2 ZINC000019615880 29/67/55/276296755 UUJUEXKIHKGFTH-ZCFIWIBFSA-N 0 311.309 DG 3.081 0 Anodyne ref DGAARN CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)[C@@H](C)S2 in-vitro Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1 ZINC000021298122 64/69/93/190646993 OJITWRFPRCHSMX-UHFFFAOYSA-N 0 307.313 DG 3.499 0 Bother ref DGBARN Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1 in-vitro O=C1Cc2cccc(C(=O)c3ccc(Br)cc3)c2N1 ZINC000038927556 64/63/95/284646395 JDSPXIPYMUGSIJ-UHFFFAOYSA-N 0 316.154 DG 3.175 0 Anodyne ref DGAARN O=C1Cc2cccc(C(=O)c3ccc(Br)cc3)c2N1 in-vitro Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 ZINC000052957434 72/77/04/274727704 KVWDHTXUZHCGIO-UHFFFAOYSA-N 1 312.442 DG 3.439 1 Anodyne mid DGAAMO Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH+](C)CC1 fda Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 ZINC000052957434 72/77/03/274727703 KVWDHTXUZHCGIO-UHFFFAOYSA-N 0 312.442 DG 3.439 0 Anodyne ref DGAARN Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 fda N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 ZINC000063539381 00/58/64/432005864 HFNKQEVNSGCOJV-HNNXBMFYSA-N 0 306.373 DG 3.466 0 Mild ref DGEARN N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 world