O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1 ZINC000000155939 68/86/15/401688615 MCRMUCXATQAAMN-OAHLLOKOSA-N -1 315.325 DE 2.314 0 Anodyne ref DEAARM O=C(N[C@H](Cc1ccc(O)cc1)C(=O)[O-])OCc1ccccc1 in-vitro biogenic O=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000204784 43/10/70/134431070 DYHIYKFBLHNKCE-UHFFFAOYSA-N -1 310.781 DE 2.244 0 Anodyne ref DEAARM O=C([O-])CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O ZINC000000287634 69/34/34/401693434 LFULISIPSBADSX-KWQFWETISA-N -1 305.783 DE 2.118 0 Anodyne ref DEAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] COc1ccc(N(C[C@@H]2CO2)S(=O)(=O)c2ccccc2)cc1 ZINC000000380639 69/64/30/401696430 CHTIMUQGMAGWES-OAHLLOKOSA-N 0 319.382 DE 2.289 0 Anodyne ref DEAARN COc1ccc(N(C[C@@H]2CO2)S(=O)(=O)c2ccccc2)cc1 Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000000527047 81/34/12/180813412 BIVMEIVPDOCVCV-UHFFFAOYSA-N 0 309.416 DE 2.177 0 Anodyne ref DEAARN Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 COc1ccccc1N(C[C@H]1CO1)S(=O)(=O)c1ccccc1 ZINC000000553684 70/09/61/401700961 LDSMNZLMXLWRGA-ZDUSSCGKSA-N 0 319.382 DE 2.289 0 Anodyne ref DEAARN COc1ccccc1N(C[C@H]1CO1)S(=O)(=O)c1ccccc1 COc1ccccc1N(C[C@@H]1CO1)S(=O)(=O)c1ccccc1 ZINC000000553686 82/05/51/180820551 LDSMNZLMXLWRGA-CYBMUJFWSA-N 0 319.382 DE 2.289 0 Anodyne ref DEAARN COc1ccccc1N(C[C@@H]1CO1)S(=O)(=O)c1ccccc1 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 ZINC000001530567 70/83/75/401708375 NWIUTZDMDHAVTP-KRWDZBQOSA-N 1 307.434 DE 2.393 0 Anodyne ref DEAARO CC(C)[NH2+]C[C@H](O)COc1ccc(CCOCC2CC2)cc1 fda COc1ccc(N(C[C@H]2CO2)S(=O)(=O)c2ccccc2)cc1 ZINC000001777032 71/05/49/401710549 CHTIMUQGMAGWES-HNNXBMFYSA-N 0 319.382 DE 2.289 0 Anodyne ref DEAARN COc1ccc(N(C[C@H]2CO2)S(=O)(=O)c2ccccc2)cc1 O=C(NCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O ZINC000002092145 71/15/76/401711576 IOPNVZDAZXKDEU-INIZCTEOSA-N -1 312.369 DE 2.224 0 Anodyne ref DEAARM O=C(NCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)[O-] COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)O ZINC000002125886 27/74/99/295277499 GYHAWRDFSMFCKS-AAEUAGOBSA-N -1 323.37 DE 2.137 0 Anodyne ref DEAARM COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)[O-] COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)O)C(C)(C)S[C@H]21 ZINC000002125887 27/77/03/295277703 GYHAWRDFSMFCKS-WCQYABFASA-N -1 323.37 DE 2.137 0 Anodyne ref DEAARM COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)[O-])C(C)(C)S[C@H]21 CC(C)[C@@]1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O ZINC000003851892 12/80/84/280128084 CABMTIJINOIHOD-QGZVFWFLSA-N -1 311.341 DE 2.224 0 Anodyne ref DEAARM CC(C)[C@@]1(C)N=C(c2nc3ccccc3cc2C(=O)[O-])NC1=O in-vivo CC(C)[C@]1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O ZINC000003851894 72/50/48/401725048 CABMTIJINOIHOD-KRWDZBQOSA-N -1 311.341 DE 2.224 0 Anodyne ref DEAARM CC(C)[C@]1(C)N=C(c2nc3ccccc3cc2C(=O)[O-])NC1=O in-vitro CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 ZINC000003881820 60/82/01/280608201 GSGREUANUSWPFE-BASYENTBSA-N -1 313.353 DE 2.181 0 Anodyne ref DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 ZINC000003881821 60/81/53/280608153 GSGREUANUSWPFE-ATNYBXOESA-N -1 313.353 DE 2.181 0 Anodyne ref DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1 ZINC000003881822 60/80/56/280608056 GSGREUANUSWPFE-LDDOYCOJSA-N -1 313.353 DE 2.181 0 Anodyne ref DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1 CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 ZINC000003881823 60/81/04/280608104 GSGREUANUSWPFE-ZXFNITATSA-N -1 313.353 DE 2.181 0 Anodyne ref DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1 COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O ZINC000003881954 05/23/19/181052319 LRCLIDIMQAJTGZ-GQCTYLIASA-N 0 302.282 DE 2.264 2 Mild low DEEALN COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O ZINC000003881954 05/23/18/181052318 LRCLIDIMQAJTGZ-GQCTYLIASA-N -1 302.282 DE 2.264 0 Mild ref DEEARM COc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)ccc1O Cc1c(CCC(=O)O)c(C)n2c(nc3ccccc32)c1C(N)=O ZINC000003882620 05/24/05/181052405 LLGUEYOQSHWHHN-UHFFFAOYSA-N -1 311.341 DE 2.22 0 Anodyne ref DEAARM Cc1c(CCC(=O)[O-])c(C)n2c(nc3ccccc32)c1C(N)=O Cc1nn2c(=O)c(CCC(=O)O)c(C)[nH]c2c1-c1ccccc1 ZINC000003882738 05/24/75/181052475 YILLPNWQRYWGAB-UHFFFAOYSA-N -2 311.341 DE 2.324 0 Anodyne ref DEAARL Cc1nc2c(-c3ccccc3)c(C)[n-]n2c(=O)c1CCC(=O)[O-] COc1cc(-c2noc(CCCC(=O)O)n2)cc(OC)c1OC ZINC000003882744 05/23/13/181052313 YLTIWQPJXSUECM-UHFFFAOYSA-N -1 322.317 DE 2.17 0 Anodyne ref DEAARM COc1cc(-c2noc(CCCC(=O)[O-])n2)cc(OC)c1OC O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003885223 05/24/42/181052442 IYPKFPRPNYXJDZ-UHFFFAOYSA-N 0 304.755 DE 2.423 0 Bother ref DEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)O ZINC000004082248 27/74/83/295277483 GYHAWRDFSMFCKS-YPMHNXCESA-N -1 323.37 DE 2.137 0 Anodyne ref DEAARM COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)[O-] COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)O ZINC000004082249 27/76/09/295277609 GYHAWRDFSMFCKS-DGCLKSJQSA-N -1 323.37 DE 2.137 0 Anodyne ref DEAARM COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)[O-] CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O ZINC000004086346 07/10/74/181071074 LFULISIPSBADSX-KCJUWKMLSA-N -1 305.783 DE 2.118 0 Anodyne ref DEAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO ZINC000004261791 08/91/76/181089176 MEHUJCGAYMDLEL-CABCVRRESA-N -1 304.427 DE 2.466 0 Anodyne ref DEAARM O=C([O-])CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO in-vitro COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000004387153 72/62/10/401726210 PIPVSPUUJHKEKJ-UHFFFAOYSA-N 0 311.385 DE 2.24 0 Clean ref DECARN COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1 Cn1c(N)c(C(=O)NCc2ccccc2)c(=O)c2ccccc21 ZINC000005031518 19/41/39/181194139 PDORJYKELDJGRW-UHFFFAOYSA-N 0 307.353 DE 2.051 0 Anodyne ref DEAARN Cn1c(N)c(C(=O)NCc2ccccc2)c(=O)c2ccccc21 COc1cc(-c2nc(CC(=O)O)cs2)cc(OC)c1OC ZINC000005592346 26/13/18/181261318 AWBVQATVMBXAEM-UHFFFAOYSA-N -1 309.343 DE 2.463 0 Anodyne ref DEAARM COc1cc(-c2nc(CC(=O)[O-])cs2)cc(OC)c1OC CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006658137 36/65/57/181366557 PNRDNHRKDCHUOI-ABAIWWIYSA-N -1 307.346 DE 2.088 0 Anodyne ref DEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 COc1cc(-c2nc3c(s2)CNCC3)cc(OC)c1OC ZINC000008733307 75/58/85/401755885 KBBZUXKZIATJNF-UHFFFAOYSA-N 0 306.387 DE 2.482 3 Anodyne high DEAAHN COc1cc(-c2nc3c(s2)CNCC3)cc(OC)c1OC COc1cc(-c2nc3c(s2)CNCC3)cc(OC)c1OC ZINC000008733307 75/58/84/401755884 KBBZUXKZIATJNF-UHFFFAOYSA-N 1 306.387 DE 2.482 0 Anodyne ref DEAARO COc1cc(-c2nc3c(s2)C[NH2+]CC3)cc(OC)c1OC CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000010312660 76/92/67/401769267 VYWFJPCAPRBKLO-UHFFFAOYSA-N 0 311.385 DE 2.23 3 Anodyne high DEAAHN CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccccc1 CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000010312660 76/92/65/401769265 VYWFJPCAPRBKLO-UHFFFAOYSA-N 1 311.385 DE 2.23 0 Anodyne ref DEAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1ccccc1 CN(C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000010312765 76/91/59/401769159 PRSRHRMDLZDZPG-UHFFFAOYSA-N 0 317.414 DE 2.292 3 Anodyne high DEAAHN CN(C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 CN(C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000010312765 76/91/53/401769153 PRSRHRMDLZDZPG-UHFFFAOYSA-N 1 317.414 DE 2.292 0 Anodyne ref DEAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)c1cccs1 CN(C)CCCNC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000010312819 76/90/52/401769052 DQBNGEQSFYJPSV-UHFFFAOYSA-N 1 315.373 DE 2.213 0 Anodyne ref DEAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccco1 O=C(O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 ZINC000012297073 74/74/09/181747409 KAWOUENTKWFZLX-MRXNPFEDSA-N -1 322.32 DE 2.276 0 Anodyne ref DEAARM O=C([O-])CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 O=C(O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 ZINC000012297074 78/26/25/401782625 KAWOUENTKWFZLX-INIZCTEOSA-N -1 322.32 DE 2.276 0 Anodyne ref DEAARM O=C([O-])CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 O=C(NCCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O ZINC000012661746 78/95/90/401789590 IOPNVZDAZXKDEU-MRXNPFEDSA-N -1 312.369 DE 2.224 0 Anodyne ref DEAARM O=C(NCCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)[O-] O=C(O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000012895456 79/32/18/401793218 PMCPSETUZFFITH-CYBMUJFWSA-N -1 300.358 DE 2.424 0 Anodyne ref DEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 O=C(O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000012895461 79/33/68/401793368 PMCPSETUZFFITH-ZDUSSCGKSA-N -1 300.358 DE 2.424 0 Anodyne ref DEAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 CC[C@@H](C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC ZINC000012900715 79/32/88/401793288 NNMIXCYAZIILED-DOMZBBRYSA-N 0 304.39 DE 2.342 0 Anodyne ref DEAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC CC[C@H](C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC ZINC000012900723 79/34/32/401793432 NNMIXCYAZIILED-WFASDCNBSA-N 0 304.39 DE 2.342 0 Anodyne ref DEAARN CC[C@H](C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC CNCC(c1ccc(O)c(C)c1O)c1ccc(O)c(C)c1O ZINC000013719333 80/34/92/401803492 XAHYMSGFCLFUHD-UHFFFAOYSA-N 0 303.358 DE 2.477 3 Anodyne high DEAAHN C[NH2+]CC(c1ccc(O)c(C)c1[O-])c1ccc(O)c(C)c1O CNCC(c1ccc(O)c(C)c1O)c1ccc(O)c(C)c1O ZINC000013719333 80/34/87/401803487 XAHYMSGFCLFUHD-UHFFFAOYSA-N 1 303.358 DE 2.477 0 Anodyne ref DEAARO C[NH2+]CC(c1ccc(O)c(C)c1O)c1ccc(O)c(C)c1O O=C1C2(c3ccccc3)CN3CN(C2)CC1(c1ccccc1)C3 ZINC000019320241 31/34/18/296313418 XBSYMZDMKDGCCA-UHFFFAOYSA-N 0 304.393 DE 2.034 0 Anodyne ref DEAARN O=C1C2(c3ccccc3)CN3CN(C2)CC1(c1ccccc1)C3 Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4N)c2ccccc2n1C ZINC000019331432 22/39/03/280223903 CUHPYVYJLCCGIY-UHFFFAOYSA-N 1 324.472 DE 2.47 0 Anodyne ref DEAARO Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4[NH3+])c2ccccc2n1C Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4N)c2ccccc21 ZINC000019331444 22/97/50/294229750 MPADLVHLFLIBKM-UHFFFAOYSA-N 1 310.445 DE 2.162 0 Anodyne ref DEAARO Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4[NH3+])c2ccccc21 CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000019702160 13/74/52/182137452 MSVZMUILYMLJCF-UHFFFAOYSA-N 0 317.41 DE 2.436 0 Mild ref DEEARN CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1 in-vitro COCCN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCCC2 ZINC000026511204 84/09/88/401840988 NQJLEFPWJXQZDX-AWEZNQCLSA-N -1 303.358 DE 2.27 0 Anodyne ref DEAARM COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCC2 COCCN1C(=O)c2ccccc2[C@H](C(=O)O)C12CCCC2 ZINC000026511207 84/10/57/401841057 NQJLEFPWJXQZDX-CQSZACIVSA-N -1 303.358 DE 2.27 0 Anodyne ref DEAARM COCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCC2 O=C(O)c1csc(Nc2ccc(Cn3cncn3)cc2)n1 ZINC000036047704 79/39/41/182793941 OZSLFMOWJYFHOP-UHFFFAOYSA-N -1 301.331 DE 2.225 0 Anodyne ref DEAARM O=C([O-])c1csc(Nc2ccc(Cn3cncn3)cc2)n1 O=C(O)c1[nH]nc(-c2ccccc2)c1I ZINC000044242606 21/59/73/304215973 NNYUIHAOMUJBLL-UHFFFAOYSA-N -1 314.082 DE 2.38 0 Anodyne ref DEAARM O=C([O-])c1n[nH]c(-c2ccccc2)c1I O=C(O)CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000044903359 95/01/91/401950191 KARFXRYLCFLMSA-UHFFFAOYSA-N -1 301.346 DE 2.134 0 Anodyne ref DEAARM O=C([O-])CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 Cc1nc2c(-c3ccccc3)c(=O)[nH]n2c(C)c1CCC(=O)O ZINC000049538561 01/94/22/402019422 JZPLGOWUGVJWQS-UHFFFAOYSA-N -2 311.341 DE 2.324 1 Anodyne mid DEAAML Cc1nc2c(-c3ccccc3)c(=O)[n-]n2c(C)c1CCC(=O)[O-] Cc1nc2c(-c3ccccc3)c(=O)[nH]n2c(C)c1CCC(=O)O ZINC000049538561 01/94/16/402019416 JZPLGOWUGVJWQS-UHFFFAOYSA-N -1 311.341 DE 2.324 0 Anodyne ref DEAARM Cc1nc2c(-c3ccccc3)c(=O)[nH]n2c(C)c1CCC(=O)[O-] Cc1nc(Br)c(Br)n1CCC(=O)O ZINC000072323977 70/89/75/401708975 XHOSXAIGJWHWRX-UHFFFAOYSA-N -1 311.961 DE 2.191 0 Anodyne ref DEAARM Cc1nc(Br)c(Br)n1CCC(=O)[O-] CC(C)CCc1n[nH]c(C(=O)O)c1I ZINC000072324036 12/15/55/191121555 WNHMDMBQOCAODP-UHFFFAOYSA-N -1 308.119 DE 2.301 0 Anodyne ref DEAARM CC(C)CCc1[nH]nc(C(=O)[O-])c1I O=C(O)[C@H](Cc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 ZINC000095477703 03/35/66/402033566 FNEBDBOHNCPWTR-VIFPVBQESA-N -1 317.736 DE 2.114 1 Anodyne mid DEAAMM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 O=C(O)[C@H](Cc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 ZINC000095477703 03/35/62/402033562 FNEBDBOHNCPWTR-VIFPVBQESA-N -1 317.736 DE 2.114 0 Anodyne ref DEAARM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(Cl)nc2nc[nH]c12 O=C(O)[C@@H](Nc1nc(Cl)nc2[nH]cnc12)c1ccccc1 ZINC000095479612 37/35/21/185373521 ZXKIODRNNOUGNB-QMMMGPOBSA-N -1 303.709 DE 2.244 1 Anodyne mid DEAAMM O=C([O-])[C@@H](Nc1nc(Cl)nc2[nH]cnc12)c1ccccc1 O=C(O)[C@@H](Nc1nc(Cl)nc2[nH]cnc12)c1ccccc1 ZINC000095479612 37/35/20/185373520 ZXKIODRNNOUGNB-QMMMGPOBSA-N -1 303.709 DE 2.244 0 Anodyne ref DEAARM O=C([O-])[C@@H](Nc1nc(Cl)nc2nc[nH]c12)c1ccccc1 CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 ZINC000100018854 13/93/82/402139382 MFWNKCLOYSRHCJ-BTTYYORXSA-N 0 312.417 DE 2.318 3 Anodyne high DEAAHN CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 fda CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 ZINC000100018854 13/93/81/402139381 MFWNKCLOYSRHCJ-BTTYYORXSA-N 1 312.417 DE 2.318 1 Anodyne mid DEAAMO Cn1nc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)[N@H+]3C)c2ccccc21 fda CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2 ZINC000100018854 13/93/80/402139380 MFWNKCLOYSRHCJ-BTTYYORXSA-N 1 312.417 DE 2.318 0 Anodyne ref DEAARO Cn1nc(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)[N@@H+]3C)c2ccccc21 fda O=C(O)Cc1csc(Nc2ccc(Cn3cncn3)cc2)n1 ZINC000216628121 27/37/60/257273760 AVUBEKKKYOUSRM-UHFFFAOYSA-N -1 315.358 DE 2.154 0 Unstable ref DEIARM O=C([O-])Cc1csc(Nc2ccc(Cn3cncn3)cc2)n1 CCn1nc(C)c(-c2n[nH]c(C(=O)O)c2Br)c1C ZINC000216630211 27/33/00/257273300 BOJASSOVABUUGE-UHFFFAOYSA-N -1 313.155 DE 2.371 0 Unstable ref DEIARM CCn1nc(C)c(-c2[nH]nc(C(=O)[O-])c2Br)c1C COc1c2c(c(Br)c3c1OCO3)CCN(C)C2 ZINC000253410153 66/40/83/402664083 MWWCCGFFDRZDMA-UHFFFAOYSA-N 0 300.152 DE 2.174 3 Anodyne high DEAAHN COc1c2c(c(Br)c3c1OCO3)CCN(C)C2 COc1c2c(c(Br)c3c1OCO3)CCN(C)C2 ZINC000253410153 66/40/80/402664080 MWWCCGFFDRZDMA-UHFFFAOYSA-N 1 300.152 DE 2.174 1 Anodyne mid DEAAMO COc1c2c(c(Br)c3c1OCO3)CC[N@H+](C)C2 COc1c2c(c(Br)c3c1OCO3)CCN(C)C2 ZINC000253410153 66/40/77/402664077 MWWCCGFFDRZDMA-UHFFFAOYSA-N 1 300.152 DE 2.174 0 Anodyne ref DEAARO COc1c2c(c(Br)c3c1OCO3)CC[N@@H+](C)C2