N=C(N)NC[C@H]1COc2ccccc2O1 ZINC000000000357 19/07/16/181190716 HIUVKVDQFXDZHU-ZETCQYMHSA-N 1 207.233 BC 0.309 0 Anodyne ref BCAARO NC(=[NH2+])NC[C@H]1COc2ccccc2O1 in-man NC(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000000007782 30/87/38/181308738 POGQSBRIGCQNEG-UHFFFAOYSA-N 0 238.197 BC 0.704 0 Anodyne ref BCAARN NC(=O)c1cn(Cc2c(F)cccc2F)nn1 fda CC(C)(S)C(=O)N[C@@H](CS)C(=O)O ZINC000000020222 08/37/98/491083798 VUAFHZCUKUDDBC-BYPYZUCNSA-N -1 223.319 BC 0.194 0 Mild ref BCEARM CC(C)(S)C(=O)N[C@@H](CS)C(=O)[O-] investigational S=C(SN1CCOCC1)N1CCOCC1 ZINC000000027634 31/26/23/183312623 HOEFWOBLOGZQIQ-UHFFFAOYSA-N 0 248.373 BC 0.584 0 Anodyne ref BCABRN S=C(SN1CCOCC1)N1CCOCC1 COc1cc(C=O)ccc1OCC(N)=O ZINC000000054241 67/15/12/342671512 VGHIVGWATFYZKU-UHFFFAOYSA-N 0 209.201 BC 0.372 0 Anodyne ref BCAARN COc1cc(C=O)ccc1OCC(N)=O in-vitro biogenic C[C@H]1CC(=O)NN=C1c1ccc(N)c(N)c1 ZINC000000055477 06/29/07/177062907 WXSDHOPIGKDWTF-LURJTMIESA-N 1 218.26 BC 0.711 2 Anodyne low BCAALO C[C@H]1CC(=O)N[NH+]=C1c1ccc(N)c(N)c1 C[C@H]1CC(=O)NN=C1c1ccc(N)c(N)c1 ZINC000000055477 06/29/06/177062906 WXSDHOPIGKDWTF-LURJTMIESA-N 0 218.26 BC 0.711 0 Anodyne ref BCAARN C[C@H]1CC(=O)NN=C1c1ccc(N)c(N)c1 CCOC(=O)Cc1csc(NC=O)n1 ZINC000000056638 23/57/36/170235736 UAGSMUJDTUOTFP-UHFFFAOYSA-N 0 214.246 BC 0.817 0 Anodyne ref BCAARN CCOC(=O)Cc1csc(NC=O)n1 CCOC(=O)c1cc(C(=O)OCC)[nH]n1 ZINC000000056854 29/05/41/170290541 MBWXLICVQZUJOW-UHFFFAOYSA-N 0 212.205 BC 0.763 2 Anodyne low BCAALN CCOC(=O)c1cc(C(=O)OCC)[nH]n1 CCOC(=O)c1cc(C(=O)OCC)[nH]n1 ZINC000000056854 29/05/39/170290539 MBWXLICVQZUJOW-UHFFFAOYSA-N -1 212.205 BC 0.763 0 Anodyne ref BCAARM CCOC(=O)c1cc(C(=O)OCC)[n-]n1 O=C(O)[C@@H](O)CCN1C(=O)c2ccccc2C1=O ZINC000000056909 50/24/52/182502452 YWDXODQRCDEZLN-VIFPVBQESA-N -1 249.222 BC 0.118 0 Anodyne ref BCAARM O=C([O-])[C@@H](O)CCN1C(=O)c2ccccc2C1=O CC(C)(C)OC(=O)N[C@H]1CCOC1=O ZINC000000057080 92/35/32/187923532 IMWMFJMYEKHYKG-LURJTMIESA-N 0 201.222 BC 0.827 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N[C@H]1CCOC1=O COc1cc(C[C@H](N)C(=O)O)ccc1O ZINC000000085742 67/38/93/342673893 PFDUUKDQEHURQC-ZETCQYMHSA-N 0 211.217 BC 0.355 0 Anodyne ref BCAARN COc1cc(C[C@H]([NH3+])C(=O)[O-])ccc1O world endogenous COc1cc(C[C@@H](N)C(=O)O)ccc1O ZINC000000085744 67/38/35/342673835 PFDUUKDQEHURQC-SSDOTTSWSA-N 0 211.217 BC 0.355 0 Anodyne ref BCAARN COc1cc(C[C@@H]([NH3+])C(=O)[O-])ccc1O in-man endogenous CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000000086328 93/70/47/383937047 KZWPBAASZYQWIV-UHFFFAOYSA-N 0 230.245 BC 0.644 0 Bother ref BCBARN CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1 ZINC000000105301 08/14/96/358081496 ARCGXLSVLAOJQL-UHFFFAOYSA-N -3 210.141 BC 0.781 0 Anodyne ref BCAARL O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1 in-vitro O=C1C[C@H](C(=O)OCc2ccccc2)N1 ZINC000000115792 67/50/71/342675071 WGLLBHSIXLWVFU-SECBINFHSA-N 0 205.213 BC 0.618 0 Anodyne ref BCAARN O=C1C[C@H](C(=O)OCc2ccccc2)N1 O=C1C[C@@H](C(=O)OCc2ccccc2)N1 ZINC000000115795 67/50/92/342675092 WGLLBHSIXLWVFU-VIFPVBQESA-N 0 205.213 BC 0.618 0 Anodyne ref BCAARN O=C1C[C@@H](C(=O)OCc2ccccc2)N1 O=C1c2ccccc2C(=O)N1C[C@H]1CO1 ZINC000000119624 61/60/43/384616043 DUILGEYLVHGSEE-ZETCQYMHSA-N 0 203.197 BC 0.681 0 Mild ref BCEARN O=C1c2ccccc2C(=O)N1C[C@H]1CO1 in-vitro O=C1c2ccccc2C(=O)N1C[C@@H]1CO1 ZINC000000119628 84/46/44/182844644 DUILGEYLVHGSEE-SSDOTTSWSA-N 0 203.197 BC 0.681 0 Mild ref BCEARN O=C1c2ccccc2C(=O)N1C[C@@H]1CO1 in-vitro COC(=O)c1ccc(C(=O)OC)c(N)c1 ZINC000000119878 83/11/33/383831133 DSSKDXUDARIMTR-UHFFFAOYSA-N 0 209.201 BC 0.842 0 Anodyne ref BCAARN COC(=O)c1ccc(C(=O)OC)c(N)c1 O=C(O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000120070 23/68/25/385236825 PDTLZWITKYGYDN-UHFFFAOYSA-N -1 238.199 BC 0.799 0 Bother ref BCBARM O=C([O-])CCNC(=O)c1ccc([N+](=O)[O-])cc1 Nc1ccc(C(=O)NCCC(=O)O)cc1 ZINC000000120074 70/13/51/181701351 VHAXWROFYVPXMZ-UHFFFAOYSA-N -1 208.217 BC 0.473 0 Anodyne ref BCAARM Nc1ccc(C(=O)NCCC(=O)[O-])cc1 world COC(=O)c1sc(C(=O)OC)c(O)c1O ZINC000000129567 67/60/63/342676063 ZZVINKJCOXPIKL-UHFFFAOYSA-N -2 232.213 BC 0.732 3 Clean high BCCAHL COC(=O)c1sc(C(=O)OC)c([O-])c1[O-] COC(=O)c1sc(C(=O)OC)c(O)c1O ZINC000000129567 67/60/62/342676062 ZZVINKJCOXPIKL-UHFFFAOYSA-N 0 232.213 BC 0.732 2 Clean low BCCALN COC(=O)c1sc(C(=O)OC)c(O)c1O COC(=O)c1sc(C(=O)OC)c(O)c1O ZINC000000129567 67/60/60/342676060 ZZVINKJCOXPIKL-UHFFFAOYSA-N -1 232.213 BC 0.732 0 Clean ref BCCARM COC(=O)c1sc(C(=O)OC)c(O)c1[O-] Nc1nc2ccc(S(N)(=O)=O)cc2s1 ZINC000000150156 67/74/17/342677417 CGJUKQLMOOVGOC-UHFFFAOYSA-N 0 229.286 BC 0.526 0 Anodyne ref BCAARN Nc1nc2ccc(S(N)(=O)=O)cc2s1 CS(=O)(=O)c1ccc(CC(=O)O)cc1 ZINC000000153769 83/54/62/383835462 HGGWOSYNRVOQJH-UHFFFAOYSA-N -1 214.242 BC 0.717 0 Anodyne ref BCAARM CS(=O)(=O)c1ccc(CC(=O)[O-])cc1 CC(=O)N1CCN(c2ccc(N)cc2)CC1 ZINC000000156781 31/29/13/132312913 AFVUJJNEILZYJQ-UHFFFAOYSA-N 0 219.288 BC 0.937 0 Clean ref BCCARN CC(=O)N1CCN(c2ccc(N)cc2)CC1 O=C1CN(C(=O)OCc2ccccc2)CCN1 ZINC000000161392 67/83/71/342678371 BAHFPJFBMJTOPU-UHFFFAOYSA-N 0 234.255 BC 0.755 0 Anodyne ref BCAARN O=C1CN(C(=O)OCc2ccccc2)CCN1 CCCc1nn(C)c(C(=O)O)c1[N+](=O)[O-] ZINC000000168938 57/88/75/344578875 GFORSNBMYCLGIE-UHFFFAOYSA-N -1 213.193 BC 0.979 0 Bother ref BCBARM CCCc1nn(C)c(C(=O)[O-])c1[N+](=O)[O-] in-vitro CCCc1nn(C)c(C(N)=O)c1[N+](=O)[O-] ZINC000000168939 57/87/87/344578787 BMLPAJIEDKJHSB-UHFFFAOYSA-N 0 212.209 BC 0.38 0 Bother ref BCBARN CCCc1nn(C)c(C(N)=O)c1[N+](=O)[O-] in-vitro N[C@H](CC(=O)O)c1ccc2c(c1)OCO2 ZINC000000170052 67/88/77/342678877 DJWMFJZOSZPAHI-SSDOTTSWSA-N 0 209.201 BC 0.89 0 Anodyne ref BCAARN [NH3+][C@H](CC(=O)[O-])c1ccc2c(c1)OCO2 CCOC(=O)c1ccccc1S(N)(=O)=O ZINC000000254451 30/01/65/170300165 CYFKZTWSLPKROH-UHFFFAOYSA-N 0 229.257 BC 0.511 0 Anodyne ref BCAARN CCOC(=O)c1ccccc1S(N)(=O)=O NC(=O)CN1C[C@@H](c2ccccc2)CC1=O ZINC000000276737 23/23/81/181232381 LYONXVJRBWWGQO-JTQLQIEISA-N 0 218.256 BC 0.488 0 Anodyne ref BCAARN NC(=O)CN1C[C@@H](c2ccccc2)CC1=O in-vitro NC(=O)CN1C[C@H](c2ccccc2)CC1=O ZINC000000276738 23/29/71/181232971 LYONXVJRBWWGQO-SNVBAGLBSA-N 0 218.256 BC 0.488 0 Anodyne ref BCAARN NC(=O)CN1C[C@H](c2ccccc2)CC1=O in-vitro COc1ccc(N2CCN(C(N)=O)CC2)cc1 ZINC000000386755 69/29/23/536692923 LPCCVVIZOOFKJX-UHFFFAOYSA-N 0 235.287 BC 0.896 0 Clean ref BCCARN COc1ccc(N2CCN(C(N)=O)CC2)cc1 O=c1ccccn1C(=S)n1ccccc1=O ZINC000000389629 00/28/09/183002809 KXMMNJQMGILZDB-UHFFFAOYSA-N 0 232.264 BC 0.691 0 Anodyne ref BCAARN O=c1ccccn1C(=S)n1ccccc1=O COC(=O)CS(=O)(=O)c1ccccc1 ZINC000000391880 68/58/78/342685878 NLEAIFBNKPYTGN-UHFFFAOYSA-N 0 214.242 BC 0.633 0 Anodyne ref BCAARN COC(=O)CS(=O)(=O)c1ccccc1 COC(=O)C12C3C4C1C1C2C3C41C(=O)OC ZINC000000395625 68/63/45/342686345 OXBMFCGRQJNAOY-UHFFFAOYSA-N 0 220.224 BC 0.07 0 Anodyne ref BCAARN COC(=O)C12C3C4C1C1C2C3C41C(=O)OC COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000000403526 68/67/70/342686770 MZMNEDXVUJLQAF-YUMQZZPRSA-N 0 245.275 BC 0.53 0 Anodyne ref BCAARN COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C in-vitro COC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000000403527 86/40/82/383864082 MZMNEDXVUJLQAF-JGVFFNPUSA-N 0 245.275 BC 0.53 0 Anodyne ref BCAARN COC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000000403528 74/08/86/173740886 MZMNEDXVUJLQAF-SFYZADRCSA-N 0 245.275 BC 0.53 0 Anodyne ref BCAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C in-vitro COC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000000403622 86/40/53/383864053 MZMNEDXVUJLQAF-HTQZYQBOSA-N 0 245.275 BC 0.53 0 Anodyne ref BCAARN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)O ZINC000000406502 64/28/97/166642897 CKYGSXRXTIKGAJ-ZETCQYMHSA-N -1 229.232 BC 0.65 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)O ZINC000000406503 68/70/73/342687073 CKYGSXRXTIKGAJ-SSDOTTSWSA-N -1 229.232 BC 0.65 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)[O-] CC(=O)N1CCN(c2ccccc2N)CC1 ZINC000000533049 87/51/10/383875110 PRAAXUFHOPUWRQ-UHFFFAOYSA-N 0 219.288 BC 0.937 0 Anodyne ref BCAARN CC(=O)N1CCN(c2ccccc2N)CC1 O=C(O)c1ccc(N2CCNCC2)cc1 ZINC000000938936 31/38/78/132313878 IAGYKSQGLCAAAD-UHFFFAOYSA-N -1 206.245 BC 0.794 3 Anodyne high BCAAHM O=C([O-])c1ccc(N2CCNCC2)cc1 O=C(O)c1ccc(N2CCNCC2)cc1 ZINC000000938936 31/38/77/132313877 IAGYKSQGLCAAAD-UHFFFAOYSA-N 0 206.245 BC 0.794 0 Anodyne ref BCAARN O=C([O-])c1ccc(N2CC[NH2+]CC2)cc1 CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)O ZINC000001433128 70/09/27/342700927 KVXXEKIGMOEPSA-ZETCQYMHSA-N -1 231.248 BC 0.707 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)O ZINC000001433129 70/09/54/342700954 KVXXEKIGMOEPSA-SSDOTTSWSA-N -1 231.248 BC 0.707 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CCO[C@@H](CO)C1 ZINC000001433185 65/00/86/166650086 FJYBLMJHXRWDAQ-MRVPVSSYSA-N 0 217.265 BC 0.615 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N1CCO[C@@H](CO)C1 in-vitro CC(C)(C)OC(=O)N1CCO[C@H](CO)C1 ZINC000001433186 70/08/73/342700873 FJYBLMJHXRWDAQ-QMMMGPOBSA-N 0 217.265 BC 0.615 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N1CCO[C@H](CO)C1 in-vitro CC(C)(C)OC(=O)N1CC[C@@H](C(N)=O)C1 ZINC000001437263 70/09/14/342700914 NHDGOVOBEZPXMY-SSDOTTSWSA-N 0 214.265 BC 0.729 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N1CC[C@@H](C(N)=O)C1 CC(C)(C)OC(=O)N1CC[C@H](C(N)=O)C1 ZINC000001437264 70/09/31/342700931 NHDGOVOBEZPXMY-ZETCQYMHSA-N 0 214.265 BC 0.729 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N1CC[C@H](C(N)=O)C1 CS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000001438795 89/82/42/383898242 FTJMAAWQEAOBBI-UHFFFAOYSA-N 0 201.203 BC 0.998 0 Bother ref BCBARN CS(=O)(=O)c1cccc([N+](=O)[O-])c1 O=C(O)c1ccc(S(=O)(=O)O)cc1 ZINC000001529390 70/25/44/342702544 HWAQOZGATRIYQG-UHFFFAOYSA-N -2 202.187 BC 0.632 0 Anodyne ref BCAARL O=C([O-])c1ccc(S(=O)(=O)[O-])cc1 in-vitro CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C ZINC000001529576 24/99/47/168249947 UFAHZIUFPNSHSL-MRVPVSSYSA-O 0 218.273 BC 0.489 0 Bother ref BCBARN CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C in-man endogenous CCCC(C)(COC(N)=O)COC(N)=O ZINC000001530701 70/25/32/342702532 NPPQSCRMBWNHMW-UHFFFAOYSA-N 0 218.253 BC 0.983 0 Anodyne ref BCAARN CCCC(C)(COC(N)=O)COC(N)=O fda COC(=O)/N=C(/NC(=O)OC)SC ZINC000001615009 91/15/05/383911505 KHBXLYPOXVQKJG-UHFFFAOYSA-N -1 206.223 BC 0.828 1 Mild mid BCEAMM COC(=O)N=C([N-]C(=O)OC)SC COC(=O)/N=C(/NC(=O)OC)SC ZINC000001615009 91/14/94/383911494 KHBXLYPOXVQKJG-UHFFFAOYSA-N 0 206.223 BC 0.828 0 Mild ref BCEARN COC(=O)N=C(NC(=O)OC)SC O=C(O)c1cccc(S(=O)(=O)O)c1 ZINC000001641044 70/68/71/342706871 QMWGSOMVXSRXQX-UHFFFAOYSA-N -2 202.187 BC 0.631 0 Anodyne ref BCAARL O=C([O-])c1cccc(S(=O)(=O)[O-])c1 CCCCOCCOCCOCCO ZINC000001644613 90/49/62/168904962 COBPKKZHLDDMTB-UHFFFAOYSA-N 0 206.282 BC 0.829 0 Anodyne ref BCAARN CCCCOCCOCCOCCO O=CCCN1C(=O)c2ccccc2C1=O ZINC000001659762 91/83/60/383918360 IBSDSIHTMABATG-UHFFFAOYSA-N 0 203.197 BC 0.872 0 Mild ref BCEARN O=CCCN1C(=O)c2ccccc2C1=O O=C(O)c1ccccc1S(=O)(=O)O ZINC000001670852 70/78/13/342707813 ZMPRRFPMMJQXPP-UHFFFAOYSA-N -2 202.187 BC 0.632 0 Anodyne ref BCAARL O=C([O-])c1ccccc1S(=O)(=O)[O-] O=C(O)[C@@H](c1ccccc1)S(=O)(=O)O ZINC000001681752 70/87/57/342708757 USNMCXDGQQVYSW-SSDOTTSWSA-N -2 216.214 BC 0.7 0 Anodyne ref BCAARL O=C([O-])[C@@H](c1ccccc1)S(=O)(=O)[O-] in-vivo NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001690424 29/20/36/181292036 UUKWKUSGGZNXGA-UHFFFAOYSA-N 0 211.133 BC 0.602 0 Bother ref BCBARN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 in-man CCOC(=O)CC(O)CC(=O)OCC ZINC000001691301 19/82/40/170198240 OLLQYIBTJXUEEX-UHFFFAOYSA-N 0 204.222 BC 0.254 0 Anodyne ref BCAARN CCOC(=O)CC(O)CC(=O)OCC O=c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)o1 ZINC000001699261 97/51/25/182975125 WWUBAHSWMPFIQZ-UHFFFAOYSA-N 0 208.129 BC 0.389 0 Bother ref BCBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2c(=O)o1 CCOC(=O)C(C(=O)OCC)C(=O)OCC ZINC000001712644 18/55/07/170185507 AGZPNUZBDCYTBB-UHFFFAOYSA-N 0 232.232 BC 0.292 0 Anodyne ref BCAARN CCOC(=O)C(C(=O)OCC)C(=O)OCC CN(C)CCCN(C)CCCN(C)C ZINC000001713107 92/90/28/383929028 SKCNNQDRNPQEFU-UHFFFAOYSA-N 3 201.358 BC 0.822 2 Anodyne low BCAALP C[NH+](C)CCC[NH+](C)CCC[NH+](C)C CN(C)CCCN(C)CCCN(C)C ZINC000001713107 92/90/20/383929020 SKCNNQDRNPQEFU-UHFFFAOYSA-N 2 201.358 BC 0.822 0 Anodyne ref BCAARP CN(CCC[NH+](C)C)CCC[NH+](C)C CCOC(=O)CSCC(=O)OCC ZINC000001724609 10/02/91/188100291 TVCSSJHLVLMADJ-UHFFFAOYSA-N 0 206.263 BC 0.846 0 Anodyne ref BCAARN CCOC(=O)CSCC(=O)OCC COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000001737586 86/20/10/173862010 UMELTKSLWXJXNZ-UHFFFAOYSA-N -1 242.143 BC 0.995 0 Bother ref BCBARM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] in-vitro CCOC(=O)CNC(=O)c1ccccc1 ZINC000001748026 22/47/51/170224751 PTXRQIPIELXJFH-UHFFFAOYSA-N 0 207.229 BC 0.979 0 Anodyne ref BCAARN CCOC(=O)CNC(=O)c1ccccc1 CCCn1c(=O)c(C)cn2nc(N)nc12 ZINC000001849697 61/16/48/169611648 UQDVRVNMIJAGRK-UHFFFAOYSA-N 0 207.237 BC 0.192 0 Anodyne ref BCAARN CCCn1c(=O)c(C)cn2nc(N)nc12 aggregator in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O ZINC000001850960 97/41/34/358974134 MBXIRNHACKAGPA-UHFFFAOYSA-N -2 200.106 BC 0.914 0 Bother ref BCBARL O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])cc1[O-] Cn1c(=O)cc(N)n(Cc2ccccc2)c1=O ZINC000001921613 71/36/62/342713662 KXLNUNZSPLVKFM-UHFFFAOYSA-N 0 231.255 BC 0.177 0 Anodyne ref BCAARN Cn1c(=O)cc(N)n(Cc2ccccc2)c1=O CC(C)(COC[C@H]1CO1)COC[C@H]1CO1 ZINC000002017954 81/08/97/322810897 KUAUJXBLDYVELT-UWVGGRQHSA-N 0 216.277 BC 0.843 0 Mild ref BCEARN CC(C)(COC[C@H]1CO1)COC[C@H]1CO1 CC(C)(COC[C@@H]1CO1)COC[C@@H]1CO1 ZINC000002017957 94/33/15/383943315 KUAUJXBLDYVELT-NXEZZACHSA-N 0 216.277 BC 0.843 0 Mild ref BCEARN CC(C)(COC[C@@H]1CO1)COC[C@@H]1CO1 CC(C)OC(=O)C[C@@H](O)C(=O)OC(C)C ZINC000002044434 16/16/30/167161630 XYVHRFVONMVDGK-MRVPVSSYSA-N 0 218.249 BC 0.641 0 Anodyne ref BCAARN CC(C)OC(=O)C[C@@H](O)C(=O)OC(C)C O=C(O)[C@H](c1ccccc1)S(=O)(=O)O ZINC000002168179 71/65/62/342716562 USNMCXDGQQVYSW-ZETCQYMHSA-N -2 216.214 BC 0.7 0 Anodyne ref BCAARL O=C([O-])[C@H](c1ccccc1)S(=O)(=O)[O-] in-vitro COc1cc(S(=O)(=O)O)c(C)cc1N ZINC000002243589 01/30/40/175013040 JBAVAJIXZVRJHT-UHFFFAOYSA-N -1 217.246 BC 0.833 0 Anodyne ref BCAARM COc1cc(S(=O)(=O)[O-])c(C)cc1N in-vitro COc1ccc(S(C)(=O)=O)cc1C(=O)O ZINC000002244023 17/45/48/175174548 BXWLVQXAFBWKSR-UHFFFAOYSA-N -1 230.241 BC 0.797 0 Anodyne ref BCAARM COc1ccc(S(C)(=O)=O)cc1C(=O)[O-] COC(=O)c1cc(S(C)(=O)=O)ccc1OC ZINC000002244024 95/68/88/383956888 DSRPTFIZJVCPPS-UHFFFAOYSA-N 0 244.268 BC 0.885 0 Anodyne ref BCAARN COC(=O)c1cc(S(C)(=O)=O)ccc1OC COC(=O)c1cccc2c1NC(=O)C2=O ZINC000002332288 95/99/64/383959964 BKMLLFWFPNUDNF-UHFFFAOYSA-N -1 205.169 BC 0.608 3 Anodyne high BCAAHM COC(=O)c1cccc2c1[N-]C(=O)C2=O COC(=O)c1cccc2c1NC(=O)C2=O ZINC000002332288 95/99/55/383959955 BKMLLFWFPNUDNF-UHFFFAOYSA-N 0 205.169 BC 0.608 0 Anodyne ref BCAARN COC(=O)c1cccc2c1NC(=O)C2=O CC(C)(C)OC(=O)N1CCNC[C@@H]1C(=O)O ZINC000002391686 71/98/70/342719870 MPOFEHGMWPHBSF-SSDOTTSWSA-N -1 230.264 BC 0.28 1 Anodyne mid BCAAMM CC(C)(C)OC(=O)N1CCNC[C@@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CCNC[C@@H]1C(=O)O ZINC000002391686 71/98/69/342719869 MPOFEHGMWPHBSF-SSDOTTSWSA-N 0 230.264 BC 0.28 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)O ZINC000002391688 71/97/35/342719735 MPOFEHGMWPHBSF-ZETCQYMHSA-N -1 230.264 BC 0.28 1 Anodyne mid BCAAMM CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)[O-] CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)O ZINC000002391688 71/97/32/342719732 MPOFEHGMWPHBSF-ZETCQYMHSA-N 0 230.264 BC 0.28 0 Anodyne ref BCAARN CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1C(=O)[O-] COC(=O)c1ccccc1CS(N)(=O)=O ZINC000002507103 96/58/43/383965843 DBOUFTHAEAVMJC-UHFFFAOYSA-N 0 229.257 BC 0.262 0 Anodyne ref BCAARN COC(=O)c1ccccc1CS(N)(=O)=O CNS(=O)(=O)c1cc(OC)c(N)cc1C ZINC000002510668 40/86/72/173408672 GWSQAGVGSHXRJK-UHFFFAOYSA-N 0 230.289 BC 0.494 0 Anodyne ref BCAARN CNS(=O)(=O)c1cc(OC)c(N)cc1C N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O ZINC000002512908 55/37/53/181553753 NOILRCJONSGSRP-VIFPVBQESA-N 0 232.239 BC 0.482 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)[O-] CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(N)=O ZINC000002516275 75/64/09/187756409 GMZBDBBBJXGPIH-ZCFIWIBFSA-N -1 246.263 BC 0.23 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(N)=O CON(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000002517108 65/78/22/174657822 PWQIGBOSLQHOBT-ZETCQYMHSA-N 0 232.28 BC 0.919 0 Anodyne ref BCAARN CON(C)C(=O)[C@H](C)NC(=O)OC(C)(C)C COC[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000002526267 72/25/05/342722505 RFGMSGRWQUMJIR-LURJTMIESA-N -1 219.237 BC 0.611 0 Anodyne ref BCAARM COC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] COC(=O)c1ccc(O)cc1C(=O)OC ZINC000002528015 46/97/07/387469707 JJXVDRYFBGDXOU-UHFFFAOYSA-N -1 210.185 BC 0.965 3 Anodyne high BCAAHM COC(=O)c1ccc([O-])cc1C(=O)OC COC(=O)c1ccc(O)cc1C(=O)OC ZINC000002528015 46/96/97/387469697 JJXVDRYFBGDXOU-UHFFFAOYSA-N 0 210.185 BC 0.965 0 Anodyne ref BCAARN COC(=O)c1ccc(O)cc1C(=O)OC O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1 ZINC000002539631 55/37/77/182553777 CARJPEPCULYFFP-UHFFFAOYSA-N -3 246.196 BC 0.33 0 Anodyne ref BCAARL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 in-man endogenous