Nc1ccc(C(=O)O)c(O)c1 ZINC000000000922 29/13/02/169291302 WUBBRNOQWQTFEX-UHFFFAOYSA-N -1 153.137 AC 0.673 0 Anodyne ref ACAARM Nc1ccc(C(=O)[O-])c(O)c1 fda C[n+]1cccc(C(=O)O)c1 ZINC000000001082 92/38/04/342923804 WWNNZCOKKKDOPX-UHFFFAOYSA-O 0 138.146 AC 0.209 0 Anodyne ref ACAARN C[n+]1cccc(C(=O)[O-])c1 in-man endogenous CNC[C@H](O)c1ccc(O)c(O)c1 ZINC000000039089 01/32/76/168013276 UCTWMZQNUQWSLP-VIFPVBQESA-N 1 183.207 AC 0.351 0 Clean ref ACCARO C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 fda endogenous CNC[C@@H](O)c1ccc(O)c(O)c1 ZINC000000039090 00/67/86/168006786 UCTWMZQNUQWSLP-SECBINFHSA-N 1 183.207 AC 0.351 0 Clean ref ACCARO C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 investigational biogenic NCCc1cc(O)c(O)cc1O ZINC000000039112 19/61/38/169196138 DIVDFFZHCJEHGG-UHFFFAOYSA-N 1 169.18 AC 0.305 0 Clean ref ACCARO [NH3+]CCc1cc(O)c(O)cc1O world endogenous O=C(O)c1ccccn1 ZINC000000039905 92/46/40/342924640 SIOXPEMLGUPBBT-UHFFFAOYSA-N -1 123.111 AC 0.78 0 Anodyne ref ACAARM O=C([O-])c1ccccn1 in-man endogenous CCOC(=O)[C@H]1CCCNC1 ZINC000000057098 36/13/30/167361330 XIWBSOUNZWSFKU-ZETCQYMHSA-N 1 157.213 AC 0.549 0 Anodyne ref ACAARO CCOC(=O)[C@H]1CCC[NH2+]C1 CCOC(=O)[C@@H]1CCCNC1 ZINC000000057099 35/23/85/167352385 XIWBSOUNZWSFKU-SSDOTTSWSA-N 1 157.213 AC 0.549 0 Anodyne ref ACAARO CCOC(=O)[C@@H]1CCC[NH2+]C1 in-vitro NC[C@@H](O)c1ccc(O)c(O)c1 ZINC000000057623 20/52/91/169205291 SFLSHLFXELFNJZ-MRVPVSSYSA-N 1 169.18 AC 0.09 0 Clean ref ACCARO [NH3+]C[C@@H](O)c1ccc(O)c(O)c1 investigational endogenous NC[C@H](O)c1ccc(O)c(O)c1 ZINC000000057624 21/42/26/169214226 SFLSHLFXELFNJZ-QMMMGPOBSA-N 1 169.18 AC 0.09 0 Clean ref ACCARO [NH3+]C[C@H](O)c1ccc(O)c(O)c1 fda endogenous On1nnc2ccccc21 ZINC000000058261 92/54/18/342925418 ASOKPJOREAFHNY-UHFFFAOYSA-N 0 135.126 AC 0.669 1 Anodyne mid ACAAMN On1nnc2ccccc21 in-vitro On1nnc2ccccc21 ZINC000000058261 92/54/16/342925416 ASOKPJOREAFHNY-UHFFFAOYSA-N -1 135.126 AC 0.669 0 Anodyne ref ACAARM [O-]n1nnc2ccccc21 in-vitro Nc1cccc2c1C(=O)NC2=O ZINC000000066148 29/76/66/169297666 GQBONCZDJQXPLV-UHFFFAOYSA-N -1 162.148 AC 0.152 3 Anodyne high ACAAHM Nc1cccc2c1C(=O)[N-]C2=O Nc1cccc2c1C(=O)NC2=O ZINC000000066148 29/76/64/169297664 GQBONCZDJQXPLV-UHFFFAOYSA-N 0 162.148 AC 0.152 0 Anodyne ref ACAARN Nc1cccc2c1C(=O)NC2=O O=c1[nH]c(=O)c2ccc(Cl)cc2[nH]1 ZINC000000071339 99/09/64/170990964 QEXAYZARVWHJJA-UHFFFAOYSA-N 0 196.593 AC 0.87 0 Anodyne ref ACAARN O=c1[nH]c(=O)c2ccc(Cl)cc2[nH]1 COC(=O)c1ccc(=O)oc1 ZINC000000074152 13/12/07/168131207 HHWWWZQYHPFCBY-UHFFFAOYSA-N 0 154.121 AC 0.426 0 Anodyne ref ACAARN COC(=O)c1ccc(=O)oc1 in-vitro OCc1ncccc1O ZINC000000102611 44/09/39/169440939 ZJRBRKUGRKKZOO-UHFFFAOYSA-N 0 125.127 AC 0.28 0 Anodyne ref ACAARN OCc1ncccc1O COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000105234 13/21/88/168132188 UTLKCGPAJUYGOM-UHFFFAOYSA-N 0 171.108 AC 0.974 0 Bother ref ACBARN COC(=O)c1ccc([N+](=O)[O-])o1 CNC[C@H](O)c1cccc(O)c1 ZINC000000113355 01/30/31/168013031 SONNWYBIRXJNDC-VIFPVBQESA-N 1 167.208 AC 0.645 0 Anodyne ref ACAARO C[NH2+]C[C@H](O)c1cccc(O)c1 fda biogenic CNC[C@@H](O)c1cccc(O)c1 ZINC000000113359 00/76/49/168007649 SONNWYBIRXJNDC-SECBINFHSA-N 1 167.208 AC 0.645 0 Anodyne ref ACAARO C[NH2+]C[C@@H](O)c1cccc(O)c1 in-man biogenic N[C@@H](Cc1ccc(F)cc1)C(=O)O ZINC000000113778 24/69/85/169246985 XWHHYOYVRVGJJY-QMMMGPOBSA-N 0 183.182 AC 0.78 0 Anodyne ref ACAARN [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)[O-] in-vitro biogenic COc1cc(CCN)ccc1O ZINC000000119675 23/42/70/168234270 DIVQKHQLANKJQO-UHFFFAOYSA-N 1 167.208 AC 0.902 0 Anodyne ref ACAARO COc1cc(CC[NH3+])ccc1O in-man endogenous O=C(O)[C@H]1NCCc2ccccc21 ZINC000000135448 35/47/29/169354729 OXFGRWIKQDSSLY-VIFPVBQESA-N 0 177.203 AC 0.958 0 Anodyne ref ACAARN O=C([O-])[C@H]1[NH2+]CCc2ccccc21 in-vitro biogenic O=C(O)c1ccc(CO)cc1 ZINC000000135484 35/75/70/169357570 WWYFPDXEIFBNKE-UHFFFAOYSA-N -1 152.149 AC 0.877 0 Anodyne ref ACAARM O=C([O-])c1ccc(CO)cc1 in-vitro CN1C(=O)c2ccc(N)cc2C1=O ZINC000000135566 92/77/15/342927715 KMEBUNSLFRQSEM-UHFFFAOYSA-N 0 176.175 AC 0.495 0 Anodyne ref ACAARN CN1C(=O)c2ccc(N)cc2C1=O NC[C@@H]1CCCO1 ZINC000000151682 20/82/60/169208260 YNOGYQAEJGADFJ-YFKPBYRVSA-N 1 101.149 AC 0.124 0 Anodyne ref ACAARO [NH3+]C[C@@H]1CCCO1 in-vitro COc1ccc(N)c(N)c1 ZINC000000152529 25/50/30/168255030 AGAHETWGCFCMDK-UHFFFAOYSA-N 0 138.17 AC 0.86 0 Anodyne ref ACAARN COc1ccc(N)c(N)c1 in-vitro N[C@@H]1CCCC[C@H]1O ZINC000000152724 25/20/67/169252067 PQMCFTMVQORYJC-PHDIDXHHSA-N 1 115.176 AC 0.249 0 Anodyne ref ACAARO [NH3+][C@@H]1CCCC[C@H]1O CC1=NNC(=O)CC1 ZINC000000152911 92/85/58/342928558 VOTFXESXPPEARL-UHFFFAOYSA-N 0 112.132 AC 0.272 0 Anodyne ref ACAARN CC1=NNC(=O)CC1 NC(=O)c1cccs1 ZINC000000153111 92/85/69/342928569 DENPQNAWGQXKCU-UHFFFAOYSA-N 0 127.168 AC 0.847 0 Anodyne ref ACAARN NC(=O)c1cccs1 N=C(N)c1ccc(O)cc1 ZINC000000154053 14/19/14/169141914 YYXYBWIDIWTCGS-UHFFFAOYSA-N 0 136.154 AC 0.676 1 Anodyne mid ACAAMN NC(=[NH2+])c1ccc([O-])cc1 in-vitro N=C(N)c1ccc(O)cc1 ZINC000000154053 14/19/11/169141911 YYXYBWIDIWTCGS-UHFFFAOYSA-N 1 136.154 AC 0.676 0 Anodyne ref ACAARO NC(=[NH2+])c1ccc(O)cc1 in-vitro O=Cc1cncnc1 ZINC000000154066 27/17/51/351271751 FREJAOSUHFGDBW-UHFFFAOYSA-N 0 108.1 AC 0.289 0 Anodyne ref ACAARN O=Cc1cncnc1 in-vitro COc1cc(C(=O)O)nc(OC)n1 ZINC000000154358 22/87/17/168228717 APCAETLUMQRTDK-UHFFFAOYSA-N -1 184.151 AC 0.192 0 Anodyne ref ACAARM COc1cc(C(=O)[O-])nc(OC)n1 [O-][n+]1onc2ccccc21 ZINC000000154724 92/89/22/342928922 OKEAMBAZBICIFP-UHFFFAOYSA-N 0 136.11 AC 0.461 0 Anodyne ref ACAARN [O-][n+]1onc2ccccc21 c1cc(N2CCNCC2)ccn1 ZINC000000155383 17/85/11/132178511 OQZBAQXTXNIPRA-UHFFFAOYSA-N 1 163.224 AC 0.491 3 Anodyne high ACAAHO c1cc(N2CC[NH2+]CC2)ccn1 in-vivo c1cc(N2CCNCC2)ccn1 ZINC000000155383 17/85/10/132178510 OQZBAQXTXNIPRA-UHFFFAOYSA-N 2 163.224 AC 0.491 0 Anodyne ref ACAARP c1cc(N2CC[NH2+]CC2)cc[nH+]1 in-vivo NS(=O)(=O)c1ccccc1F ZINC000000155614 24/21/43/169242143 WFLBWYLZCQOPCA-UHFFFAOYSA-N 0 175.184 AC 0.473 0 Anodyne ref ACAARN NS(=O)(=O)c1ccccc1F in-vitro Nc1nc(CC(=O)O)cs1 ZINC000000155667 30/42/98/169304298 DYCLHZPOADTVKK-UHFFFAOYSA-N -1 158.182 AC 0.352 0 Anodyne ref ACAARM Nc1nc(CC(=O)[O-])cs1 C1CN=C2NCCCN2C1 ZINC000000156961 92/93/48/342929348 FVKFHMNJTHKMRX-UHFFFAOYSA-N 1 139.202 AC 0.041 0 Anodyne ref ACAARO C1CNC2=[NH+]CCCN2C1 in-vitro Nc1ccccc1O ZINC000000157526 29/90/28/169299028 CDAWCLOXVUBKRW-UHFFFAOYSA-N 0 109.128 AC 0.974 0 Anodyne ref ACAARN Nc1ccccc1O biogenic in-vivo Nc1cccc(O)c1 ZINC000000157527 29/67/27/169296727 CWLKGDAVCFYWJK-UHFFFAOYSA-N 0 109.128 AC 0.974 0 Anodyne ref ACAARN Nc1cccc(O)c1 in-vitro biogenic O[C@H]1CN2CCC1CC2 ZINC000000158080 27/15/34/351271534 IVLICPVPXWEGCA-ZETCQYMHSA-N 1 127.187 AC 0.073 0 Anodyne ref ACAARO O[C@H]1C[NH+]2CCC1CC2 in-vitro O[C@@H]1CN2CCC1CC2 ZINC000000158082 27/16/27/351271627 IVLICPVPXWEGCA-SSDOTTSWSA-N 1 127.187 AC 0.073 0 Anodyne ref ACAARO O[C@@H]1C[NH+]2CCC1CC2 in-vitro Cc1n[nH]c(C)c1C(=O)O ZINC000000158520 92/97/54/342929754 IOOWDXMXZBYKLR-UHFFFAOYSA-N -1 140.142 AC 0.725 0 Anodyne ref ACAARM Cc1n[nH]c(C)c1C(=O)[O-] in-vitro NC[C@H]1COc2ccccc2O1 ZINC000000158539 21/70/30/169217030 JHNURUNMNRSGRO-ZETCQYMHSA-N 1 165.192 AC 0.785 0 Anodyne ref ACAARO [NH3+]C[C@H]1COc2ccccc2O1 NC(=O)NC1CCCCC1 ZINC000000162621 15/81/54/169158154 WUESWDIHTKHGQA-UHFFFAOYSA-N 0 142.202 AC 0.987 0 Anodyne ref ACAARN NC(=O)NC1CCCCC1 CC[C@H](C)[C@H](NC)C(=O)O ZINC000000163151 63/04/55/167630455 KSPIYJQBLVDRRI-WDSKDSINSA-N 0 145.202 AC 0.705 0 Anodyne ref ACAARN CC[C@H](C)[C@H]([NH2+]C)C(=O)[O-] in-vitro COC(=O)C1CCC(O)CC1 ZINC000000163396 08/44/28/168084428 HYDYVXROZHFTGB-UHFFFAOYSA-N 0 158.197 AC 0.71 0 Anodyne ref ACAARN COC(=O)C1CCC(O)CC1 NC(=S)c1cnccn1 ZINC000000165372 16/80/40/169168040 LIURPUMROGYCLW-UHFFFAOYSA-N 0 139.183 AC 0.111 2 Anodyne low ACAALN NC(=S)c1cnccn1 in-vitro Nc1cnccc1C(=O)O ZINC000000165882 30/26/53/169302653 FYEQKMAVRYRMBL-UHFFFAOYSA-N -1 138.126 AC 0.362 0 Anodyne ref ACAARM Nc1cnccc1C(=O)[O-] in-vitro CC(C)(C)C(N)=O ZINC000000167037 34/78/76/166347876 XIPFMBOWZXULIA-UHFFFAOYSA-N 0 101.149 AC 0.518 0 Anodyne ref ACAARN CC(C)(C)C(N)=O in-vitro COC(=O)c1ccc[nH]c1=O ZINC000000169389 13/38/70/168133870 SILBTMNCGYLTOK-UHFFFAOYSA-N 0 153.137 AC 0.161 0 Anodyne ref ACAARN COC(=O)c1ccc[nH]c1=O O=c1[nH]c2cccc(F)c2c(=O)o1 ZINC000000169825 27/33/66/351273366 VAAIGNBVENPUEI-UHFFFAOYSA-N 0 181.122 AC 0.62 0 Anodyne ref ACAARN O=c1[nH]c2cccc(F)c2c(=O)o1 O=c1[nH]c2ccc(F)cc2c(=O)o1 ZINC000000187888 27/32/45/351273245 UBKGOWGNYKVYEF-UHFFFAOYSA-N 0 181.122 AC 0.62 0 Anodyne ref ACAARN O=c1[nH]c2ccc(F)cc2c(=O)o1 N[C@@H](Cc1ccc(O)cc1)C(=O)O ZINC000000266964 24/83/13/169248313 OUYCCCASQSFEME-QMMMGPOBSA-N 0 181.191 AC 0.347 0 Anodyne ref ACAARN [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)[O-] fda endogenous O=S1CCCCC1 ZINC000000281247 93/28/24/342932824 NNLBRYQGMOYARS-UHFFFAOYSA-N 0 118.201 AC 0.919 0 Anodyne ref ACABRN O=S1CCCCC1 C1CC(N2CCOCC2)CCN1 ZINC000000299484 08/29/64/166082964 YYBXNWIRMJXEQJ-UHFFFAOYSA-N 2 170.256 AC 0.071 2 Anodyne low ACAALP C1CC([NH+]2CCOCC2)CC[NH2+]1 C1CC(N2CCOCC2)CCN1 ZINC000000299484 08/29/59/166082959 YYBXNWIRMJXEQJ-UHFFFAOYSA-N 1 170.256 AC 0.071 0 Anodyne ref ACAARO C1CC(N2CCOCC2)CC[NH2+]1 COc1ccc(OC)nn1 ZINC000000330942 25/61/67/168256167 HKQOBAGKDBSVEQ-UHFFFAOYSA-N 0 140.142 AC 0.494 0 Anodyne ref ACAARN COc1ccc(OC)nn1 O=c1cc[nH]c2cccnc12 ZINC000000331069 41/83/36/169418336 NSPLFNGUPLZYHV-UHFFFAOYSA-N 0 146.149 AC 0.923 0 Anodyne ref ACAARN O=c1cc[nH]c2cccnc12 Nc1cccc(N)n1 ZINC000000333587 29/71/71/169297171 VHNQIURBCCNWDN-UHFFFAOYSA-N 0 109.132 AC 0.246 3 Anodyne high ACAAHN Nc1cccc(N)n1 in-vitro Nc1cccc(N)n1 ZINC000000333587 29/71/69/169297169 VHNQIURBCCNWDN-UHFFFAOYSA-N 1 109.132 AC 0.246 0 Anodyne ref ACAARO Nc1cccc(N)[nH+]1 in-vitro O=C(O)c1ccncc1O ZINC000000334931 35/95/15/169359515 JEHGATQUCUYHJL-UHFFFAOYSA-N -1 139.11 AC 0.485 0 Anodyne ref ACAARM O=C([O-])c1ccncc1O in-vitro COc1cc(N)ccc1O ZINC000000335866 23/74/10/168237410 MCNBYOWWTITHIG-UHFFFAOYSA-N 0 139.154 AC 0.983 0 Anodyne ref ACAARN COc1cc(N)ccc1O in-vitro Cn1ccc(C(=O)O)cc1=O ZINC000000335970 04/55/67/169045567 XUKWOJNDLIOXSC-UHFFFAOYSA-N -1 153.137 AC 0.083 0 Anodyne ref ACAARM Cn1ccc(C(=O)[O-])cc1=O O=C(O)c1cc(O)c(C(=O)O)cc1O ZINC000000337612 35/67/15/169356715 OYFRNYNHAZOYNF-UHFFFAOYSA-N -2 198.13 AC 0.494 0 Anodyne ref ACAARL O=C([O-])c1cc(O)c(C(=O)[O-])cc1O CCOC(=O)C1(C#N)CC1 ZINC000000370721 32/47/47/167324747 FDZLCIITHLSEQK-UHFFFAOYSA-N 0 139.154 AC 0.853 0 Mild ref ACEARN CCOC(=O)C1(C#N)CC1 COc1cc(C)oc(=O)c1 ZINC000000388336 23/20/03/168232003 MTZAUZNQAMNFME-UHFFFAOYSA-N 0 140.138 AC 0.957 0 Anodyne ref ACAARN COc1cc(C)oc(=O)c1 Nc1ccc(O)cc1O ZINC000000388397 29/30/52/169293052 ROCVGJLXIARCAC-UHFFFAOYSA-N 0 125.127 AC 0.68 0 Anodyne ref ACAARN Nc1ccc(O)cc1O CCN(CC)CCO ZINC000000388479 16/53/19/167165319 BFSVOASYOCHEOV-UHFFFAOYSA-N 1 117.192 AC 0.321 0 Anodyne ref ACAARO CC[NH+](CC)CCO in-man endogenous N=C1NC(=N)c2ccccc21 ZINC000000388558 14/41/22/169144122 RZVCEPSDYHAHLX-UHFFFAOYSA-N 1 145.165 AC 0.941 1 Anodyne mid ACAAMO N=C1NC(=[NH2+])c2ccccc21 N=C1NC(=N)c2ccccc21 ZINC000000388558 14/41/20/169144120 RZVCEPSDYHAHLX-UHFFFAOYSA-N 0 145.165 AC 0.941 0 Anodyne ref ACAARN N=C1NC(=N)c2ccccc21 CC[n+]1ccn(C)c1 ZINC000000388672 93/59/34/342935934 NJMWOUFKYKNWDW-UHFFFAOYSA-N 1 111.168 AC 0.332 0 Anodyne ref ACAARO CC[n+]1ccn(C)c1 in-vitro N[C@H](C(=O)O)c1ccccc1F ZINC000000388689 26/38/20/169263820 CGNMJIBUVDGMIY-ZETCQYMHSA-N -1 169.155 AC 0.91 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])c1ccccc1F in-vivo N[C@H](C(=O)O)c1ccccc1F ZINC000000388689 26/38/18/169263818 CGNMJIBUVDGMIY-ZETCQYMHSA-N 0 169.155 AC 0.91 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])c1ccccc1F in-vivo N[C@@H](C(=O)O)c1ccccc1F ZINC000000388690 24/25/13/169242513 CGNMJIBUVDGMIY-SSDOTTSWSA-N -1 169.155 AC 0.91 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])c1ccccc1F in-vivo N[C@@H](C(=O)O)c1ccccc1F ZINC000000388690 24/25/12/169242512 CGNMJIBUVDGMIY-SSDOTTSWSA-N 0 169.155 AC 0.91 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])c1ccccc1F in-vivo CCOC(=O)C[C@H](C)O ZINC000000388765 33/76/48/167337648 OMSUIQOIVADKIM-YFKPBYRVSA-N 0 132.159 AC 0.32 0 Anodyne ref ACAARN CCOC(=O)C[C@H](C)O in-man endogenous Cc1cc(C(=O)O)on1 ZINC000000389129 93/60/39/342936039 HXIYCKAAQPHZBM-UHFFFAOYSA-N -1 127.099 AC 0.681 0 Anodyne ref ACAARM Cc1cc(C(=O)[O-])on1 CC(C)(C)[C@@H](N)C(=O)O ZINC000000389551 99/49/11/170994911 NPDBDJFLKKQMCM-BYPYZUCNSA-N 0 131.175 AC 0.444 0 Anodyne ref ACAARN CC(C)(C)[C@@H]([NH3+])C(=O)[O-] in-vitro COC(=O)c1cc(O)no1 ZINC000000389603 12/81/26/168128126 BBFWUUBQSXVHHZ-UHFFFAOYSA-N -1 143.098 AC 0.167 0 Anodyne ref ACAARM COC(=O)c1cc(=O)[n-]o1 in-vitro O=C(O)[C@H]1CCOC1 ZINC000000389610 35/29/17/169352917 BOTREHHXSQGWTR-BYPYZUCNSA-N -1 116.116 AC 0.108 0 Anodyne ref ACAARM O=C([O-])[C@H]1CCOC1 OC[C@@H]1CCOC1 ZINC000000389620 27/76/84/351277684 PCPUMGYALMOCHF-YFKPBYRVSA-N 0 102.133 AC 0.015 0 Anodyne ref ACAARN OC[C@@H]1CCOC1 N#CC1(C(=O)O)CC1 ZINC000000389631 93/59/42/342935942 KSJJMSKNZVXAND-UHFFFAOYSA-N -1 111.1 AC 0.375 0 Mild ref ACEARM N#CC1(C(=O)[O-])CC1 NCc1ccccc1N ZINC000000389679 22/47/27/169224727 GVOYKJPMUUJXBS-UHFFFAOYSA-N 0 122.171 AC 0.728 3 Anodyne high ACAAHN NCc1ccccc1N NCc1ccccc1N ZINC000000389679 22/47/26/169224726 GVOYKJPMUUJXBS-UHFFFAOYSA-N 1 122.171 AC 0.728 0 Anodyne ref ACAARO Nc1ccccc1C[NH3+] O=C(O)c1c(O)cc(O)cc1O ZINC000000389778 35/53/97/169355397 IBHWREHFNDMRPR-UHFFFAOYSA-N -1 170.12 AC 0.502 0 Anodyne ref ACAARM O=C([O-])c1c(O)cc(O)cc1O in-man endogenous OCC(CO)OCc1ccccc1 ZINC000000389779 27/77/56/351277756 UDIPIOHLDFSMLR-UHFFFAOYSA-N 0 182.219 AC 0.556 0 Anodyne ref ACAARN OCC(CO)OCc1ccccc1 in-vitro NCc1ccc(N)cc1 ZINC000000389785 22/37/24/169223724 BFWYZZPDZZGSLJ-UHFFFAOYSA-N 1 122.171 AC 0.728 0 Clean ref ACCARO Nc1ccc(C[NH3+])cc1 in-vitro O=C(O)[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000000389831 35/19/23/169351923 XBZSBBLNHFMTEB-OLQVQODUSA-N -2 172.18 AC 0.962 0 Anodyne ref ACAARL O=C([O-])[C@H]1CCC[C@@H](C(=O)[O-])C1 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1 ZINC000000389832 34/69/08/169346908 XBZSBBLNHFMTEB-PHDIDXHHSA-N -2 172.18 AC 0.962 0 Anodyne ref ACAARL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[O-])C1 O=C(O)[C@H]1CCC[C@H](C(=O)O)C1 ZINC000000389833 35/16/11/169351611 XBZSBBLNHFMTEB-WDSKDSINSA-N -2 172.18 AC 0.962 0 Anodyne ref ACAARL O=C([O-])[C@H]1CCC[C@H](C(=O)[O-])C1 COC(=O)[C@H](O)c1ccccc1 ZINC000000391161 12/15/40/168121540 ITATYELQCJRCCK-MRVPVSSYSA-N 0 166.176 AC 0.893 0 Anodyne ref ACAARN COC(=O)[C@H](O)c1ccccc1 in-vitro COC(=O)[C@@H](O)c1ccccc1 ZINC000000391162 10/94/63/168109463 ITATYELQCJRCCK-QMMMGPOBSA-N 0 166.176 AC 0.893 0 Anodyne ref ACAARN COC(=O)[C@@H](O)c1ccccc1 in-vitro CNc1ncnc2[nH]cnc12 ZINC000000391197 41/10/18/574411018 CKOMXBHMKXXTNW-UHFFFAOYSA-N 0 149.157 AC 0.395 1 Anodyne mid ACAAMN CNc1ncnc2[nH]cnc12 in-man endogenous CNc1ncnc2[nH]cnc12 ZINC000000391197 41/10/17/574411017 CKOMXBHMKXXTNW-UHFFFAOYSA-N 0 149.157 AC 0.395 0 Anodyne ref ACAARN CNc1ncnc2nc[nH]c12 in-man endogenous O=C1C[C@H]2C=CC[C@H]2O1 ZINC000000391836 38/29/67/169382967 RYBPGUMSFWGGLP-PHDIDXHHSA-N 0 124.139 AC 0.878 0 Anodyne ref ACAARN O=C1C[C@H]2C=CC[C@H]2O1 NOc1ccccc1 ZINC000000391872 24/04/61/169240461 UOKZUTXLHRTLFH-UHFFFAOYSA-N 0 109.128 AC 0.939 0 Anodyne ref ACAARN NOc1ccccc1 COC[C@H](C)OC(C)=O ZINC000000391910 19/04/61/168190461 LLHKCFNBLRBOGN-YFKPBYRVSA-N 0 132.159 AC 0.584 0 Anodyne ref ACAARN COC[C@H](C)OC(C)=O