NC[C@H](CC(=O)O)c1ccc(Cl)cc1 ZINC000000000061 59/58/58/386595858 KPYSYYIEGFHWSV-QMMMGPOBSA-N 0 213.664 BD 1.857 0 Anodyne ref BDAARN [NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1 fda OC[C@@H](O)COc1ccc(Cl)cc1 ZINC000000000135 11/28/68/183112868 MXOAEAUPQDYUQM-MRVPVSSYSA-N 0 202.637 BD 1.072 0 Anodyne ref BDAARN OC[C@@H](O)COc1ccc(Cl)cc1 world Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1 ZINC000000000471 66/92/86/342669286 IMWZZHHPURKASS-LLVKDONJSA-N 0 221.256 BD 1.791 0 Anodyne ref BDAARN Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1 fda Cc1cccc(C)c1NC(=O)CN1CCCC1=O ZINC000000003788 04/11/31/179041131 NGHTXZCKLWZPGK-UHFFFAOYSA-N 0 246.31 BD 1.864 0 Anodyne ref BDAARN Cc1cccc(C)c1NC(=O)CN1CCCC1=O world C[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1 ZINC000000005921 46/32/29/176463229 VZRNTCHTJRLTMU-RXMQYKEDSA-N 0 232.692 BD 1.39 0 Anodyne ref BDAARN C[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1 investigational Nc1cccc(I)c1 ZINC000000013616 70/68/56/591706856 FFCSRWGYGMRBGD-UHFFFAOYSA-N 0 219.025 BD 1.873 0 Anodyne ref BDAARN Nc1cccc(I)c1 CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000000014257 96/69/76/172966976 AJXPJJZHWIXJCJ-GFCCVEGCSA-N 0 203.241 BD 1.333 0 Anodyne ref BDAARN CN1C(=O)C[C@](C)(c2ccccc2)C1=O fda COc1ccc(C(=O)N2CCCC2=O)cc1 ZINC000000015951 05/56/35/175055635 ZXNRTKGTQJPIJK-UHFFFAOYSA-N 0 219.24 BD 1.458 0 Anodyne ref BDAARN COc1ccc(C(=O)N2CCCC2=O)cc1 in-man N[C@H](Cc1ccc(Br)cc1)C(=O)O ZINC000000032334 67/03/24/342670324 PEMUHKUIQHFMTH-MRVPVSSYSA-N 0 244.088 BD 1.404 0 Anodyne ref BDAARN [NH3+][C@H](Cc1ccc(Br)cc1)C(=O)[O-] CC(C)=CCNc1ncnc2[nH]cnc12 ZINC000000032351 24/41/93/187244193 HYVABZIGRDEKCD-UHFFFAOYSA-N 0 203.249 BD 1.731 1 Anodyne mid BDAAMN CC(C)=CCNc1ncnc2[nH]cnc12 biogenic in-vivo CC(C)=CCNc1ncnc2[nH]cnc12 ZINC000000032351 24/41/91/187244191 HYVABZIGRDEKCD-UHFFFAOYSA-N 0 203.249 BD 1.731 0 Anodyne ref BDAARN CC(C)=CCNc1ncnc2nc[nH]c12 biogenic in-vivo O=C(OCc1ccccc1)ON1C(=O)CCC1=O ZINC000000039223 67/06/60/342670660 MJSHDCCLFGOEIK-UHFFFAOYSA-N 0 249.222 BD 1.404 0 Mild ref BDEARN O=C(OCc1ccccc1)ON1C(=O)CCC1=O O=C(O)c1cncc(Br)c1 ZINC000000039490 67/10/02/342671002 FQIUCPGDKPXSLL-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1cncc(Br)c1 COC(=O)c1cc(Cl)cc(N)c1O ZINC000000056374 85/83/52/173858352 YPSOMLZFAVONTN-UHFFFAOYSA-N 0 201.609 BD 1.414 0 Anodyne ref BDAARN COC(=O)c1cc(Cl)cc(N)c1O in-vitro CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O ZINC000000056437 24/44/68/187244468 ZQEBQGAAWMOMAI-SSDOTTSWSA-N -1 215.249 BD 1.471 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)[O-] COc1ccc(NC(=O)CC(C)=O)cc1 ZINC000000056480 14/13/16/175141316 SWAJJKROCOJICG-UHFFFAOYSA-N 0 207.229 BD 1.613 0 Anodyne ref BDAARN COc1ccc(NC(=O)CC(C)=O)cc1 COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/45/383821145 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/40/383821140 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/35/383821135 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/25/383821125 PHTILULPLFUXPS-LBPRGKRZSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056560 82/11/18/383821118 PHTILULPLFUXPS-LBPRGKRZSA-N 0 247.294 BD 1.251 0 Anodyne ref BDAARN COC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/98/342671798 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/97/342671797 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/95/342671795 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/93/342671793 PHTILULPLFUXPS-GFCCVEGCSA-N 1 247.294 BD 1.251 2 Anodyne low BDAALO COC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 in-vitro COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000000056561 67/17/91/342671791 PHTILULPLFUXPS-GFCCVEGCSA-N 0 247.294 BD 1.251 0 Anodyne ref BDAARN COC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O in-vitro COC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000000056809 82/07/94/383820794 OPUUCOLVBDQWEY-UHFFFAOYSA-N 0 205.213 BD 1.963 0 Anodyne ref BDAARN COC(=O)c1cc2ccc(OC)cc2[nH]1 CC(C)(C)OC(=O)N1CCC[C@H]1CO ZINC000000057018 64/90/25/166649025 BFFLLBPMZCIGRM-QMMMGPOBSA-N 0 201.266 BD 1.378 0 Anodyne ref BDAARN CC(C)(C)OC(=O)N1CCC[C@H]1CO COc1ccc2[nH]cc(CCNC(C)=O)c2c1 ZINC000000057060 20/29/26/175202926 DRLFMBDRBRZALE-UHFFFAOYSA-N 0 232.283 BD 1.855 0 Anodyne ref BDAARN COc1ccc2[nH]cc(CCNC(C)=O)c2c1 world endogenous CC(C)(C)OC(=O)NC1(C(=O)O)CC1 ZINC000000057220 65/94/02/166659402 DSKCOVBHIFAJRI-UHFFFAOYSA-N -1 201.222 BD 1.128 0 Anodyne ref BDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC1 CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1 ZINC000000057562 67/21/59/342672159 JWOHBPPVVDQMKB-UHFFFAOYSA-N -1 229.276 BD 1.718 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1 COc1cc(Br)c(C=O)cc1O ZINC000000057570 09/89/18/188098918 AHYSXUDLJOFNAB-UHFFFAOYSA-N -1 231.045 BD 1.976 3 Anodyne high BDAAHM COc1cc(Br)c(C=O)cc1[O-] COc1cc(Br)c(C=O)cc1O ZINC000000057570 09/89/16/188098916 AHYSXUDLJOFNAB-UHFFFAOYSA-N 0 231.045 BD 1.976 0 Anodyne ref BDAARN COc1cc(Br)c(C=O)cc1O CCOC(=O)C1(C(=O)OCC)CCC1 ZINC000000057573 18/99/79/170189979 JPNJEJSZSMXWSV-UHFFFAOYSA-N 0 200.234 BD 1.283 0 Anodyne ref BDAARN CCOC(=O)C1(C(=O)OCC)CCC1 in-vitro COc1ccc(-c2nnc(N)s2)cc1 ZINC000000064572 04/21/72/175042172 UJBCFMCQLVRXBQ-UHFFFAOYSA-N 0 207.258 BD 1.796 0 Anodyne ref BDAARN COc1ccc(-c2nnc(N)s2)cc1 CC(C)(C)OC(=O)N1CCC(O)CC1 ZINC000000066271 67/23/68/342672368 PWQLFIKTGRINFF-UHFFFAOYSA-N 0 201.266 BD 1.378 0 Anodyne ref BDAARN CC(C)(C)OC(=O)N1CCC(O)CC1 O=C1C[C@H](NC(=O)OCc2ccccc2)CO1 ZINC000000074702 67/30/56/342673056 BNIBNUOPVTZWRT-JTQLQIEISA-N 0 235.239 BD 1.228 0 Anodyne ref BDAARN O=C1C[C@H](NC(=O)OCc2ccccc2)CO1 CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C ZINC000000075008 67/31/44/342673144 QCHFTSOMWOSFHM-WPRPVWTQSA-N 1 208.261 BD 1.162 2 Anodyne low BDAALO CC[C@@H]1C(=O)OC[C@@H]1Cc1c[nH+]cn1C fda biogenic CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C ZINC000000075008 67/31/43/342673143 QCHFTSOMWOSFHM-WPRPVWTQSA-N 0 208.261 BD 1.162 0 Anodyne ref BDAARN CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C fda biogenic Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/19/166103219 YHVBXKTXLJTDRI-UHFFFAOYSA-N -1 225.049 BD 1.629 3 Anodyne high BDAAHM Brc1ccccc1-c1nn[n-]n1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/17/166103217 YHVBXKTXLJTDRI-UHFFFAOYSA-N -1 225.049 BD 1.629 3 Anodyne high BDAAHM Brc1ccccc1-c1nnn[n-]1 Brc1ccccc1-c1nnn[nH]1 ZINC000000085629 10/32/14/166103214 YHVBXKTXLJTDRI-UHFFFAOYSA-N 0 225.049 BD 1.629 0 Anodyne ref BDAARN Brc1ccccc1-c1nn[nH]n1 NC[C@@H](CC(=O)O)c1ccc(Cl)cc1 ZINC000000085733 59/90/62/386599062 KPYSYYIEGFHWSV-MRVPVSSYSA-N 0 213.664 BD 1.857 0 Anodyne ref BDAARN [NH3+]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 fda COC(=O)[C@H]1O[C@H]1c1ccc(OC)cc1 ZINC000000120411 82/92/85/383829285 CVZUMGUZDAWOGA-UWVGGRQHSA-N 0 208.213 BD 1.308 0 Anodyne ref BDAARN COC(=O)[C@H]1O[C@H]1c1ccc(OC)cc1 COC(=O)[C@H]1O[C@@H]1c1ccc(OC)cc1 ZINC000000120415 83/11/11/383831111 CVZUMGUZDAWOGA-ZJUUUORDSA-N 0 208.213 BD 1.308 0 Anodyne ref BDAARN COC(=O)[C@H]1O[C@@H]1c1ccc(OC)cc1 COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1 ZINC000000120420 75/28/58/173752858 CVZUMGUZDAWOGA-VHSXEESVSA-N 0 208.213 BD 1.308 0 Anodyne ref BDAARN COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1 COC(=O)[C@@H]1O[C@@H]1c1ccc(OC)cc1 ZINC000000120424 67/53/41/342675341 CVZUMGUZDAWOGA-NXEZZACHSA-N 0 208.213 BD 1.308 0 Anodyne ref BDAARN COC(=O)[C@@H]1O[C@@H]1c1ccc(OC)cc1 N[C@@H](Cc1ccc2ccccc2c1)C(=O)O ZINC000000128256 67/60/15/342676015 JPZXHKDZASGCLU-LBPRGKRZSA-N 0 215.252 BD 1.794 0 Anodyne ref BDAARN [NH3+][C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] in-vivo OC[C@H](O)COc1ccc(Cl)cc1 ZINC000000129343 14/36/69/183143669 MXOAEAUPQDYUQM-QMMMGPOBSA-N 0 202.637 BD 1.072 0 Anodyne ref BDAARN OC[C@H](O)COc1ccc(Cl)cc1 world CS(=O)(=O)c1ccc2nc(N)sc2c1 ZINC000000129448 82/98/04/383829804 ZYHNHJAMVNINSY-UHFFFAOYSA-N 0 228.298 BD 1.282 0 Anodyne ref BDAARN CS(=O)(=O)c1ccc2nc(N)sc2c1 CC(C)(C)OC(=O)NC1CCNCC1 ZINC000000129481 66/01/73/166660173 CKXZPVPIDOJLLM-UHFFFAOYSA-N 1 200.282 BD 1.263 0 Anodyne ref BDAARO CC(C)(C)OC(=O)NC1CC[NH2+]CC1 Clc1nsnc1N1CCOCC1 ZINC000000131479 67/63/42/342676342 LAUCCQWGVCJGFT-UHFFFAOYSA-N 0 205.67 BD 1.028 0 Anodyne ref BDAARN Clc1nsnc1N1CCOCC1 in-vitro O=C(O)c1ccc(Cl)cc1C(=O)O ZINC000000133154 67/62/49/342676249 DVIPPHSQIBKWSA-UHFFFAOYSA-N -2 200.577 BD 1.736 0 Anodyne ref BDAARL O=C([O-])c1ccc(Cl)cc1C(=O)[O-] O=C(O)c1cc(Br)ccn1 ZINC000000151256 55/39/04/182553904 RPHHYRNGCJYQSP-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1cc(Br)ccn1 in-vitro COc1cccc(/C=C/C(=O)O)c1OC ZINC000000153647 24/08/23/175240823 QAXPUWGAGVERSJ-VOTSOKGWSA-N -1 208.213 BD 1.802 0 Anodyne ref BDAARM COc1cccc(/C=C/C(=O)[O-])c1OC CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 ZINC000000153754 83/69/69/383836969 CTTWSFIIFMWHLQ-UHFFFAOYSA-N -1 234.66 BD 1.442 0 Anodyne ref BDAARM CS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 O=c1cc(OCc2ccccc2)cc[nH]1 ZINC000000155105 67/77/24/342677724 DOVNUEPFPBWTSV-UHFFFAOYSA-N 0 201.225 BD 1.954 0 Anodyne ref BDAARN O=c1cc(OCc2ccccc2)cc[nH]1 O=C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000000155135 67/77/90/342677790 VZOVOHRDLOYBJX-UHFFFAOYSA-N 0 233.267 BD 1.988 0 Anodyne ref BDAARN O=C1CCN(C(=O)OCc2ccccc2)CC1 in-vitro O=C(O)CC1(CC(=O)O)CCCCC1 ZINC000000157284 83/61/51/383836151 YQPCHPBGAALCRT-UHFFFAOYSA-N -2 200.234 BD 1.886 0 Anodyne ref BDAARL O=C([O-])CC1(CC(=O)[O-])CCCCC1 in-vitro Nc1ccccc1I ZINC000000157582 67/80/47/342678047 UBPDKIDWEADHPP-UHFFFAOYSA-N 0 219.025 BD 1.873 0 Anodyne ref BDAARN Nc1ccccc1I Oc1cccnc1I ZINC000000160343 27/25/73/188272573 HJBGMPCMSWJZNH-UHFFFAOYSA-N -1 220.997 BD 1.392 1 Anodyne mid BDAAMM [O-]c1cccnc1I Oc1cccnc1I ZINC000000160343 27/25/70/188272570 HJBGMPCMSWJZNH-UHFFFAOYSA-N -1 220.997 BD 1.392 0 Anodyne ref BDAARM Oc1cccnc1I CCOC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000000160496 83/69/37/383836937 ATJVZXXHKSYELS-FNORWQNLSA-N 0 222.24 BD 1.977 0 Anodyne ref BDAARN CCOC(=O)/C=C/c1ccc(O)c(OC)c1 in-vitro biogenic CC(C)(C)OC(=O)N1CCC(CN)CC1 ZINC000000161689 64/66/17/166646617 KLKBCNDBOVRQIJ-UHFFFAOYSA-N 1 214.309 BD 1.592 0 Anodyne ref BDAARO CC(C)(C)OC(=O)N1CCC(C[NH3+])CC1 in-vitro O=C(OCc1ccccc1)N1CCC(O)CC1 ZINC000000161960 67/84/31/342678431 JKIUUDJOCYHIGY-UHFFFAOYSA-N 0 235.283 BD 1.78 0 Anodyne ref BDAARN O=C(OCc1ccccc1)N1CCC(O)CC1 OCCc1ccc(Br)cc1 ZINC000000167004 10/09/14/183100914 PMOSJSPFNDUAFY-UHFFFAOYSA-N 0 201.063 BD 1.984 0 Anodyne ref BDAARN OCCc1ccc(Br)cc1 O=C(O)c1ccc(I)cc1 ZINC000000167246 67/87/51/342678751 GHICCUXQJBDNRN-UHFFFAOYSA-N -1 248.019 BD 1.989 0 Anodyne ref BDAARM O=C([O-])c1ccc(I)cc1 in-vitro O=C(O)c1ccc(Br)cn1 ZINC000000330875 68/36/07/342683607 MNNQIBXLAHVDDL-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1ccc(Br)cn1 Ic1cccnc1 ZINC000000331802 68/36/87/342683687 XDELKSRGBLWMBA-UHFFFAOYSA-N 0 204.998 BD 1.686 0 Anodyne ref BDAARN Ic1cccnc1 O=C(O)c1cccc(Br)n1 ZINC000000331827 57/62/22/182576222 XURXQNUIGWHWHU-UHFFFAOYSA-N -1 202.007 BD 1.542 0 Anodyne ref BDAARM O=C([O-])c1cccc(Br)n1 O=C(O)c1cc(F)c(F)cc1C(=O)O ZINC000000346796 68/43/75/342684375 FFSBOABNRUJQFW-UHFFFAOYSA-N -2 202.112 BD 1.361 0 Anodyne ref BDAARL O=C([O-])c1cc(F)c(F)cc1C(=O)[O-] CCOc1ccc(CCN)cc1OCC ZINC000000370063 68/51/68/342685168 YOUNXJAJHCCMNK-UHFFFAOYSA-N 1 209.289 BD 1.985 0 Anodyne ref BDAARO CCOc1ccc(CC[NH3+])cc1OCC Oc1ccc(I)cc1 ZINC000000391103 27/54/92/183275492 VSMDINRNYYEDRN-UHFFFAOYSA-N 0 220.009 BD 1.997 0 Anodyne ref BDAARN Oc1ccc(I)cc1 in-vivo O=C(O)c1cc(Br)cc(C(=O)O)c1 ZINC000000393011 55/22/99/182552299 JATKASGNRMGFSW-UHFFFAOYSA-N -2 245.028 BD 1.845 0 Anodyne ref BDAARL O=C([O-])c1cc(Br)cc(C(=O)[O-])c1 CCOC(=O)[C@@H](O)CCc1ccccc1 ZINC000000395672 25/51/58/170255158 ZJYKSSGYDPNKQS-NSHDSACASA-N 0 208.257 BD 1.543 0 Anodyne ref BDAARN CCOC(=O)[C@@H](O)CCc1ccccc1 in-vitro NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000000399373 26/87/71/181268771 ZCGHEBMEQXMRQL-NSHDSACASA-N 0 248.282 BD 1.273 0 Anodyne ref BDAARN NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1 ZINC000000403114 21/56/76/168215676 WHOBYFHKONUTMW-LLVKDONJSA-N 0 233.267 BD 1.986 0 Anodyne ref BDAARN CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1 in-vitro OCc1ccc(I)cc1 ZINC000000403413 16/50/76/183165076 CNQRHSZYVFYOIE-UHFFFAOYSA-N 0 234.036 BD 1.783 0 Anodyne ref BDAARN OCc1ccc(I)cc1 NCCc1ccccc1Br ZINC000000403524 86/36/38/383863638 ITRNQMJXZUWZQL-UHFFFAOYSA-N 1 200.079 BD 1.95 0 Anodyne ref BDAARO [NH3+]CCc1ccccc1Br NCCc1ccc(Br)cc1 ZINC000000406936 86/59/01/383865901 ZSZCXAOQVBEPME-UHFFFAOYSA-N 1 200.079 BD 1.95 0 Anodyne ref BDAARO [NH3+]CCc1ccc(Br)cc1 in-vitro Oc1ccccc1I ZINC000000409257 30/34/75/183303475 KQDJTBPASNJQFQ-UHFFFAOYSA-N -1 220.009 BD 1.997 3 Anodyne high BDAAHM [O-]c1ccccc1I in-vitro Oc1ccccc1I ZINC000000409257 30/34/73/183303473 KQDJTBPASNJQFQ-UHFFFAOYSA-N 0 220.009 BD 1.997 0 Anodyne ref BDAARN Oc1ccccc1I in-vitro COc1ccc(C)cc1NC(=O)CC(C)=O ZINC000000449338 07/74/68/175077468 BZKDEDRZTISGLD-UHFFFAOYSA-N 0 221.256 BD 1.921 0 Anodyne ref BDAARN COc1ccc(C)cc1NC(=O)CC(C)=O O=[N+]([O-])c1ccc(Cn2cccn2)cc1 ZINC000000614333 93/24/81/182932481 ZFWQFBNNHCBSFT-UHFFFAOYSA-N 0 203.201 BD 1.84 0 Bother ref BDBARN O=[N+]([O-])c1ccc(Cn2cccn2)cc1 CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000000896703 96/57/63/172965763 AJXPJJZHWIXJCJ-LBPRGKRZSA-N 0 203.241 BD 1.333 0 Anodyne ref BDAARN CN1C(=O)C[C@@](C)(c2ccccc2)C1=O fda Cc1cc(C)cc(OC[C@@H]2CNC(=O)O2)c1 ZINC000000897322 69/43/75/342694375 IMWZZHHPURKASS-NSHDSACASA-N 0 221.256 BD 1.791 0 Anodyne ref BDAARN Cc1cc(C)cc(OC[C@@H]2CNC(=O)O2)c1 fda NS(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000001039595 53/02/22/181530222 JKBNSTFOQDGQLS-UHFFFAOYSA-N 0 232.113 BD 1.702 0 Anodyne ref BDAARN NS(=O)(=O)c1cc(Cl)c(Cl)s1 COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC ZINC000001081136 94/93/86/174949386 WWCMFGBGMJAJRX-UHFFFAOYSA-N -1 227.172 BD 1.31 0 Bother ref BDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC Nc1c(C(=O)O)cccc1C(F)(F)F ZINC000001081205 66/59/60/181665960 UNLVJVQEDSDPIN-UHFFFAOYSA-N -1 205.135 BD 1.986 0 Anodyne ref BDAARM Nc1c(C(=O)[O-])cccc1C(F)(F)F COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000001095287 69/74/32/342697432 WVDGSSCWFMSRHN-QMMMGPOBSA-N 0 229.276 BD 1.559 0 Anodyne ref BDAARN COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C COC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000001095288 81/13/28/173811328 WVDGSSCWFMSRHN-MRVPVSSYSA-N 0 229.276 BD 1.559 0 Anodyne ref BDAARN COC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C O=Cc1ccc(O)c(Br)c1 ZINC000001410691 89/85/08/383898508 UOTMHAOCAJROQF-UHFFFAOYSA-N 0 201.019 BD 1.967 2 Anodyne low BDAALN O=Cc1ccc(O)c(Br)c1 O=Cc1ccc(O)c(Br)c1 ZINC000001410691 89/85/01/383898501 UOTMHAOCAJROQF-UHFFFAOYSA-N -1 201.019 BD 1.967 0 Anodyne ref BDAARM O=Cc1ccc([O-])c(Br)c1 CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C1 ZINC000001433078 70/08/39/342700839 HRMRQBJUFWFQLX-SSDOTTSWSA-N -1 215.249 BD 1.328 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])C1 CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C1 ZINC000001433079 70/09/86/342700986 HRMRQBJUFWFQLX-ZETCQYMHSA-N -1 215.249 BD 1.328 0 Anodyne ref BDAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])C1 COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000001433131 70/08/20/342700820 PTZNCCIULVXFIJ-UHFFFAOYSA-N 0 243.303 BD 1.806 0 Anodyne ref BDAARN COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 CC(C)(C)OC(=O)NCc1ccc(C(=N)N)cc1 ZINC000001435870 66/45/93/166664593 ARUMMNTYOXBYCC-UHFFFAOYSA-N 1 249.314 BD 1.995 0 Anodyne ref BDAARO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH2+])cc1 O=C1CCCN(C(=O)OCc2ccccc2)C1 ZINC000001435941 70/08/07/342700807 ALXLNFWWLXCXSK-UHFFFAOYSA-N 0 233.267 BD 1.988 0 Anodyne ref BDAARN O=C1CCCN(C(=O)OCc2ccccc2)C1 CC(C)(C)OC(=O)N1CC[C@H](CO)C1 ZINC000001436151 70/08/13/342700813 HKIGXXRMJFUUKV-QMMMGPOBSA-N 0 201.266 BD 1.236 0 Anodyne ref BDAARN CC(C)(C)OC(=O)N1CC[C@H](CO)C1 COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000001436156 70/09/04/342700904 LIWFYAVKYUQMRE-MRVPVSSYSA-N 0 229.276 BD 1.416 0 Anodyne ref BDAARN COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1