Cc1ccccc1OC[C@H](O)CO ZINC000000000450 92/36/88/342923688 JWDYCNIAQWPBHD-SECBINFHSA-N 0 182.219 AC 0.727 0 Anodyne ref ACAARN Cc1ccccc1OC[C@H](O)CO in-man 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 Nc1ccc(O)c(C(=O)O)c1 ZINC000000001688 29/33/23/169293323 KBOPZPXVLCULAV-UHFFFAOYSA-N 0 153.137 AC 0.673 2 Anodyne low ACAALN [NH3+]c1ccc(O)c(C(=O)[O-])c1 fda Nc1ccc(O)c(C(=O)O)c1 ZINC000000001688 29/33/21/169293321 KBOPZPXVLCULAV-UHFFFAOYSA-N -1 153.137 AC 0.673 0 Anodyne ref ACAARM Nc1ccc(O)c(C(=O)[O-])c1 fda C1CCc2nnnn2CC1 ZINC000000001905 09/39/48/166093948 CWRVKFFCRWGWCS-UHFFFAOYSA-N 0 138.174 AC 0.399 0 Anodyne ref ACAARN C1CCc2nnnn2CC1 in-man NC(=O)NC(=O)Cc1ccccc1 ZINC000000001916 15/61/02/169156102 XPFRXWCVYUEORT-UHFFFAOYSA-N 0 178.191 AC 0.424 0 Anodyne ref ACAARN NC(=O)NC(=O)Cc1ccccc1 world NC(=O)c1cccnc1 ZINC000000005878 92/36/67/342923667 DFPAKSUCGFBDDF-UHFFFAOYSA-N 0 122.127 AC 0.181 0 Anodyne ref ACAARN NC(=O)c1cccnc1 fda endogenous Cc1ccnc(N2CCNCC2)n1 ZINC000000010716 17/74/76/132177476 QMFLDCBHGGRGNY-UHFFFAOYSA-N 0 178.239 AC 0.195 3 Anodyne high ACAAHN Cc1ccnc(N2CCNCC2)n1 Cc1ccnc(N2CCNCC2)n1 ZINC000000010716 17/74/74/132177474 QMFLDCBHGGRGNY-UHFFFAOYSA-N 0 178.239 AC 0.195 0 Anodyne ref ACAARN Cc1ccnc(N2CC[NH2+]CC2)n1 O=C(O)CCNC(=O)c1ccccc1 ZINC000000012614 33/84/31/169338431 CWXYHOHYCJXYFQ-UHFFFAOYSA-N -1 193.202 AC 0.891 0 Anodyne ref ACAARM O=C([O-])CCNC(=O)c1ccccc1 world endogenous COC(=O)c1ccc(C(=O)O)nc1 ZINC000000016086 12/98/50/168129850 NTCKZTBRFXTYBD-UHFFFAOYSA-N -1 181.147 AC 0.566 0 Anodyne ref ACAARM COC(=O)c1ccc(C(=O)[O-])nc1 in-vitro N[C@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034161 26/27/02/169262702 VHVGNTVUSQUXPS-YUMQZZPRSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034161 26/27/01/169262701 VHVGNTVUSQUXPS-YUMQZZPRSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034162 26/19/49/169261949 VHVGNTVUSQUXPS-JGVFFNPUSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 in-man endogenous N[C@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034162 26/19/48/169261948 VHVGNTVUSQUXPS-JGVFFNPUSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])[C@H](O)c1ccccc1 in-man endogenous N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034163 24/23/80/169242380 VHVGNTVUSQUXPS-SFYZADRCSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 ZINC000000034163 24/23/78/169242378 VHVGNTVUSQUXPS-SFYZADRCSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034164 24/25/33/169242533 VHVGNTVUSQUXPS-HTQZYQBOSA-N -1 181.191 AC 0.132 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 in-vitro biogenic N[C@@H](C(=O)O)[C@H](O)c1ccccc1 ZINC000000034164 24/25/32/169242532 VHVGNTVUSQUXPS-HTQZYQBOSA-N 0 181.191 AC 0.132 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccccc1 in-vitro biogenic N=C(N)c1ccccc1 ZINC000000036634 14/13/19/169141319 PXXJHWLDUBFPOL-UHFFFAOYSA-N 1 120.155 AC 0.971 0 Anodyne ref ACAARO NC(=[NH2+])c1ccccc1 in-vivo NC(=O)c1ccccc1F ZINC000000039562 92/44/61/342924461 KGGHWIKBOIQEAJ-UHFFFAOYSA-N 0 139.129 AC 0.925 0 Anodyne ref ACAARN NC(=O)c1ccccc1F N#Cc1ccc(S(N)(=O)=O)cc1 ZINC000000039566 99/06/01/170990601 UZECCNDOASGYNH-UHFFFAOYSA-N 0 182.204 AC 0.206 0 Mild ref ACEARN N#Cc1ccc(S(N)(=O)=O)cc1 CNC(=O)c1cccc(N)c1 ZINC000000039702 92/46/25/342924625 PYDQTASEULDNRL-UHFFFAOYSA-N 0 150.181 AC 0.628 0 Anodyne ref ACAARN CNC(=O)c1cccc(N)c1 Cc1ncc(CO)c(CO)c1O ZINC000000049154 96/61/56/168966156 LXNHXLLTXMVWPM-UHFFFAOYSA-N 0 169.18 AC 0.08 0 Anodyne ref ACAARN Cc1ncc(CO)c(CO)c1O fda endogenous NC(=O)c1ccccc1OCC(=O)O ZINC000000051262 92/49/60/342924960 RLISWLLILOTWGG-UHFFFAOYSA-N -1 195.174 AC 0.249 0 Anodyne ref ACAARM NC(=O)c1ccccc1OCC(=O)[O-] in-man NCc1cccc(CN)c1 ZINC000000057045 22/44/37/169224437 FDLQZKYLHJJBHD-UHFFFAOYSA-N 2 136.198 AC 0.604 0 Anodyne ref ACAARP [NH3+]Cc1cccc(C[NH3+])c1 in-vitro 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 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 Oc1ccc(-n2cncn2)cc1 ZINC000000066097 26/91/77/351269177 ZOPIBCDDKMAEII-UHFFFAOYSA-N 0 161.164 AC 0.973 0 Anodyne ref ACAARN Oc1ccc(-n2cncn2)cc1 in-vitro COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/11/168132511 ZMMBQCILDZFYKX-UHFFFAOYSA-N -1 177.163 AC 0.744 3 Anodyne high ACAAHM COC(=O)c1ccc2n[n-]nc2c1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/09/168132509 ZMMBQCILDZFYKX-UHFFFAOYSA-N -1 177.163 AC 0.744 3 Anodyne high ACAAHM COC(=O)c1ccc2[n-]nnc2c1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/07/168132507 ZMMBQCILDZFYKX-UHFFFAOYSA-N -1 177.163 AC 0.744 3 Anodyne high ACAAHM COC(=O)c1ccc2nn[n-]c2c1 COC(=O)c1ccc2n[nH]nc2c1 ZINC000000071469 13/25/05/168132505 ZMMBQCILDZFYKX-UHFFFAOYSA-N 0 177.163 AC 0.744 0 Anodyne ref ACAARN COC(=O)c1ccc2n[nH]nc2c1 CSc1nc(C)nc(N)n1 ZINC000000076642 31/41/61/168314161 CQORBMDQIUWHGC-UHFFFAOYSA-N 0 156.214 AC 0.484 0 Anodyne ref ACAARN CSc1nc(C)nc(N)n1 in-vitro CCSc1nc(C)nc(N)n1 ZINC000000076663 26/94/09/351269409 PJQMCVIFTDRXNT-UHFFFAOYSA-N 0 170.241 AC 0.874 0 Anodyne ref ACAARN CCSc1nc(C)nc(N)n1 in-vitro N#CCC(=O)NCc1ccccn1 ZINC000000092028 92/65/42/342926542 FAJRBOZBEUZSRG-UHFFFAOYSA-N 0 175.191 AC 0.611 0 Mild ref ACEARN N#CCC(=O)NCc1ccccn1 COC(=O)c1ccncc1C(=O)O ZINC000000093303 13/62/25/168136225 QLOYEIURVSRKOV-UHFFFAOYSA-N -1 181.147 AC 0.566 0 Anodyne ref ACAARM COC(=O)c1ccncc1C(=O)[O-] Cc1cc2nnc(C(=O)O)c(C)n2n1 ZINC000000095167 92/62/40/342926240 JFCXJLMOHOXSTO-UHFFFAOYSA-N -1 192.178 AC 0.439 0 Anodyne ref ACAARM Cc1cc2nnc(C(=O)[O-])c(C)n2n1 N#CCS(=O)(=O)c1ccccn1 ZINC000000095187 10/08/92/169100892 SAKACXZDAJXBCI-UHFFFAOYSA-N 0 182.204 AC 0.379 0 Mild ref ACEARN N#CCS(=O)(=O)c1ccccn1 Cc1cc(NC(=O)/C=C/C(=O)O)no1 ZINC000000097653 92/68/75/342926875 FHXUOFGJMIEOBX-NSCUHMNNSA-N -1 196.162 AC 0.562 0 Anodyne ref ACAARM Cc1cc(NC(=O)/C=C/C(=O)[O-])no1 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 Clc1ccc(N2CCOCC2)nn1 ZINC000000115178 17/84/51/132178451 QDXCFLKGKSWHMI-UHFFFAOYSA-N 0 199.641 AC 0.967 0 Anodyne ref ACAARN Clc1ccc(N2CCOCC2)nn1 Nc1ccc(C(=O)NCC(=O)O)cc1 ZINC000000119344 29/13/42/169291342 HSMNQINEKMPTIC-UHFFFAOYSA-N -1 194.19 AC 0.083 0 Anodyne ref ACAARM Nc1ccc(C(=O)NCC(=O)[O-])cc1 fda endogenous O=[N+]([O-])c1cc2c(cc1CO)OCO2 ZINC000000119845 92/72/94/342927294 XSKQKDTZQNFCCB-UHFFFAOYSA-N 0 197.146 AC 0.816 0 Bother ref ACBARN O=[N+]([O-])c1cc2c(cc1CO)OCO2 Cc1cn(C)c(CC(=O)O)c1C(=O)O ZINC000000120541 92/71/95/342927195 FASPXTNRUAOAGU-UHFFFAOYSA-N -2 197.19 AC 0.659 0 Anodyne ref ACAARL Cc1cn(C)c(CC(=O)[O-])c1C(=O)[O-] CCc1nnc(CC)n1N ZINC000000122161 92/72/90/342927290 PLSFAHFBTFAYIR-UHFFFAOYSA-N 0 140.19 AC 0.117 0 Anodyne ref ACAARN CCc1nnc(CC)n1N NC(=O)c1ccc(C(=O)O)s1 ZINC000000128802 92/76/45/342927645 QHUQNZMROQKPRS-UHFFFAOYSA-N -1 171.177 AC 0.545 0 Anodyne ref ACAARM NC(=O)c1ccc(C(=O)[O-])s1 COc1ccc(OC[C@H](O)CN)cc1 ZINC000000134403 25/66/68/168256668 KFQPRNVTVMCYEH-MRVPVSSYSA-N 1 197.234 AC 0.394 0 Anodyne ref ACAARO COc1ccc(OC[C@H](O)C[NH3+])cc1 COc1ccc(OC[C@@H](O)CN)cc1 ZINC000000134405 25/68/14/168256814 KFQPRNVTVMCYEH-QMMMGPOBSA-N 1 197.234 AC 0.394 0 Anodyne ref ACAARO COc1ccc(OC[C@@H](O)C[NH3+])cc1 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 O=C(O)CNC(=O)Cc1ccccc1 ZINC000000136391 34/09/72/169340972 UTYVDVLMYQPLQB-UHFFFAOYSA-N -1 193.202 AC 0.43 0 Anodyne ref ACAARM O=C([O-])CNC(=O)Cc1ccccc1 in-man endogenous COC1=CC(=O)C=C(OC)C1=O ZINC000000137119 99/16/26/170991626 OLBNOBQOQZRLMP-UHFFFAOYSA-N 0 168.148 AC 0.199 0 Mild ref ACEARN COC1=CC(=O)C=C(OC)C1=O in-man endogenous Cc1nn(C)c(C)c1[N+](=O)[O-] ZINC000000141169 92/81/02/342928102 YSZYFGMARJFMJK-UHFFFAOYSA-N 0 155.157 AC 0.945 0 Bother ref ACBARN Cc1nn(C)c(C)c1[N+](=O)[O-] CCOC(=O)c1cnc(N)nc1C ZINC000000141549 37/57/61/167375761 YBFVMJRSZCVJJP-UHFFFAOYSA-N 0 181.195 AC 0.544 0 Anodyne ref ACAARN CCOC(=O)c1cnc(N)nc1C N#CCC(=O)NC[C@@H]1CCCO1 ZINC000000143842 09/37/81/169093781 WQPYFXKRRMIJFM-ZETCQYMHSA-N 0 168.196 AC 0.195 0 Mild ref ACEARN N#CCC(=O)NC[C@@H]1CCCO1 CC(C)(C)OC(=O)N1CCNCC1 ZINC000000152447 36/87/16/166368716 CWXPZXBSDSIRCS-UHFFFAOYSA-N 0 186.255 AC 0.827 1 Anodyne mid ACAAMN CC(C)(C)OC(=O)N1CCNCC1 in-vitro CC(C)(C)OC(=O)N1CCNCC1 ZINC000000152447 36/87/12/166368712 CWXPZXBSDSIRCS-UHFFFAOYSA-N 1 186.255 AC 0.827 0 Anodyne ref ACAARO CC(C)(C)OC(=O)N1CC[NH2+]CC1 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 CC(C)NC(=O)CC#N ZINC000000152958 92/85/42/342928542 LOAHXFVORLJMML-UHFFFAOYSA-N 0 126.159 AC 0.425 0 Mild ref ACEARN CC(C)NC(=O)CC#N NC(=O)c1ccccc1 ZINC000000152996 99/20/27/170992027 KXDAEFPNCMNJSK-UHFFFAOYSA-N 0 121.139 AC 0.786 0 Anodyne ref ACAARN NC(=O)c1ccccc1 in-man endogenous Cc1ccc(N)nn1 ZINC000000153000 92/86/03/342928603 KAZMCIGKULUUMR-UHFFFAOYSA-N 0 109.132 AC 0.367 0 Anodyne ref ACAARN Cc1ccc(N)nn1 COc1cnn(C)c(=O)c1Cl ZINC000000153236 28/13/25/168281325 OGHGGBMXRUJBAF-UHFFFAOYSA-N 0 174.587 AC 0.442 0 Anodyne ref ACAARN COc1cnn(C)c(=O)c1Cl CS(=O)(=O)c1ccc(N)cc1 ZINC000000153753 29/46/07/168294607 XJEVFFNOMKXBLU-UHFFFAOYSA-N 0 171.221 AC 0.672 0 Anodyne ref ACAARN CS(=O)(=O)c1ccc(N)cc1 CS(=O)(=O)c1ccc(O)cc1 ZINC000000153757 29/57/71/168295771 KECCFSZFXLAGJS-UHFFFAOYSA-N -1 172.205 AC 0.796 1 Anodyne mid ACAAMM CS(=O)(=O)c1ccc([O-])cc1 CS(=O)(=O)c1ccc(O)cc1 ZINC000000153757 29/57/68/168295768 KECCFSZFXLAGJS-UHFFFAOYSA-N 0 172.205 AC 0.796 0 Anodyne ref ACAARN CS(=O)(=O)c1ccc(O)cc1 COc1cccc(N)c1C(=O)O ZINC000000153928 26/90/81/168269081 DYZDIWNRWSNVPT-UHFFFAOYSA-N -1 167.164 AC 0.976 0 Anodyne ref ACAARM COc1cccc(N)c1C(=O)[O-] NCc1ccc(O)cc1 ZINC000000153933 22/31/37/169223137 RQJDUEKERVZLLU-UHFFFAOYSA-N 1 123.155 AC 0.851 0 Anodyne ref ACAARO [NH3+]Cc1ccc(O)cc1 in-man endogenous O=C(O)c1ccnnc1 ZINC000000154089 35/99/74/169359974 JUSIWJONLKBPDU-UHFFFAOYSA-N -1 124.099 AC 0.175 0 Anodyne ref ACAARM O=C([O-])c1ccnnc1 in-vitro CC(=O)CC(=O)N1CCCC1 ZINC000000154433 23/99/32/166239932 GOHRQEHMWBECSS-UHFFFAOYSA-N 0 155.197 AC 0.588 0 Anodyne ref ACABRN CC(=O)CC(=O)N1CCCC1 C[C@H](O)CN1CCCCC1 ZINC000000154439 92/85/51/342928551 UCASFSAKVJTSET-QMMMGPOBSA-N 1 143.23 AC 0.853 0 Anodyne ref ACAARO C[C@H](O)C[NH+]1CCCCC1 C[C@@H](O)CN1CCCCC1 ZINC000000154441 39/15/19/168391519 UCASFSAKVJTSET-MRVPVSSYSA-N 1 143.23 AC 0.853 0 Anodyne ref ACAARO C[C@@H](O)C[NH+]1CCCCC1 O=C(O)CNC(=O)c1ccc(O)cc1 ZINC000000154442 34/09/28/169340928 ZMHLUFWWWPBTIU-UHFFFAOYSA-N -2 195.174 AC 0.207 3 Anodyne high ACAAHL O=C([O-])CNC(=O)c1ccc([O-])cc1 in-man endogenous O=C(O)CNC(=O)c1ccc(O)cc1 ZINC000000154442 34/09/27/169340927 ZMHLUFWWWPBTIU-UHFFFAOYSA-N -1 195.174 AC 0.207 0 Anodyne ref ACAARM O=C([O-])CNC(=O)c1ccc(O)cc1 in-man endogenous N[C@H](C(=O)O)c1ccccc1 ZINC000000154475 26/40/39/169264039 ZGUNAGUHMKGQNY-ZETCQYMHSA-N -1 151.165 AC 0.771 3 Anodyne high ACAAHM N[C@H](C(=O)[O-])c1ccccc1 in-man endogenous N[C@H](C(=O)O)c1ccccc1 ZINC000000154475 26/40/37/169264037 ZGUNAGUHMKGQNY-ZETCQYMHSA-N 0 151.165 AC 0.771 0 Anodyne ref ACAARN [NH3+][C@H](C(=O)[O-])c1ccccc1 in-man endogenous N[C@@H](C(=O)O)c1ccccc1 ZINC000000154476 24/24/81/169242481 ZGUNAGUHMKGQNY-SSDOTTSWSA-N -1 151.165 AC 0.771 3 Anodyne high ACAAHM N[C@@H](C(=O)[O-])c1ccccc1 in-man endogenous N[C@@H](C(=O)O)c1ccccc1 ZINC000000154476 24/24/79/169242479 ZGUNAGUHMKGQNY-SSDOTTSWSA-N 0 151.165 AC 0.771 0 Anodyne ref ACAARN [NH3+][C@@H](C(=O)[O-])c1ccccc1 in-man endogenous O=C(O)COC(=O)c1cccnc1 ZINC000000154486 99/20/98/170992098 SROFPEHSSYUWME-UHFFFAOYSA-N -1 181.147 AC 0.323 0 Anodyne ref ACAARM O=C([O-])COC(=O)c1cccnc1 CC(=O)Nc1ccnc(O)n1 ZINC000000154522 28/56/86/166285686 IJCKBIINTQEGLY-UHFFFAOYSA-N 0 153.141 AC 0.141 0 Anodyne ref ACAARN CC(=O)Nc1ccnc(=O)[nH]1 CC(=O)c1ccc(O)c(C(N)=O)c1 ZINC000000154551 32/51/53/166325153 LWAQTCWTCCNHJR-UHFFFAOYSA-N 0 179.175 AC 0.694 2 Anodyne low ACAALN CC(=O)c1ccc(O)c(C(N)=O)c1 CC(=O)c1ccc(O)c(C(N)=O)c1 ZINC000000154551 32/51/51/166325151 LWAQTCWTCCNHJR-UHFFFAOYSA-N -1 179.175 AC 0.694 0 Anodyne ref ACAARM CC(=O)c1ccc([O-])c(C(N)=O)c1 Cc1ccc(S(=O)(=O)NN)cc1 ZINC000000154720 83/34/77/168833477 ICGLPKIVTVWCFT-UHFFFAOYSA-N 0 186.236 AC 0.147 0 Anodyne ref ACAARN Cc1ccc(S(=O)(=O)NN)cc1 C[C@H](N)[C@H](O)c1ccc(O)cc1 ZINC000000154799 92/89/76/342928976 JAYBQRKXEFDRER-RCOVLWMOSA-N 1 167.208 AC 0.773 0 Anodyne ref ACABRO C[C@H]([NH3+])[C@H](O)c1ccc(O)cc1 in-vitro biogenic C[C@@H](N)[C@H](O)c1ccc(O)cc1 ZINC000000154800 36/89/66/168368966 JAYBQRKXEFDRER-MUWHJKNJSA-N 1 167.208 AC 0.773 0 Anodyne ref ACABRO C[C@@H]([NH3+])[C@H](O)c1ccc(O)cc1 in-vitro biogenic C[C@H](N)[C@@H](O)c1ccc(O)cc1 ZINC000000154802 92/89/35/342928935 JAYBQRKXEFDRER-IMTBSYHQSA-N 1 167.208 AC 0.773 0 Anodyne ref ACABRO C[C@H]([NH3+])[C@@H](O)c1ccc(O)cc1 in-vitro biogenic C[C@@H](N)[C@@H](O)c1ccc(O)cc1 ZINC000000154803 36/67/20/168366720 JAYBQRKXEFDRER-HZGVNTEJSA-N 1 167.208 AC 0.773 0 Anodyne ref ACAARO C[C@@H]([NH3+])[C@@H](O)c1ccc(O)cc1 world biogenic N[C@H]1c2ccccc2C[C@H]1O ZINC000000154811 28/10/10/169281010 LOPKSXMQWBYUOI-BDAKNGLRSA-N 0 149.193 AC 0.603 3 Anodyne high ACAAHN N[C@H]1c2ccccc2C[C@H]1O in-vitro N[C@H]1c2ccccc2C[C@H]1O ZINC000000154811 28/10/08/169281008 LOPKSXMQWBYUOI-BDAKNGLRSA-N 1 149.193 AC 0.603 0 Anodyne ref ACAARO [NH3+][C@H]1c2ccccc2C[C@H]1O in-vitro N[C@@H]1c2ccccc2C[C@H]1O ZINC000000154812 26/05/64/169260564 LOPKSXMQWBYUOI-RKDXNWHRSA-N 0 149.193 AC 0.603 3 Anodyne high ACAAHN N[C@@H]1c2ccccc2C[C@H]1O N[C@@H]1c2ccccc2C[C@H]1O ZINC000000154812 26/05/63/169260563 LOPKSXMQWBYUOI-RKDXNWHRSA-N 1 149.193 AC 0.603 0 Anodyne ref ACAARO [NH3+][C@@H]1c2ccccc2C[C@H]1O N[C@H]1c2ccccc2C[C@@H]1O ZINC000000154813 28/16/87/169281687 LOPKSXMQWBYUOI-IUCAKERBSA-N 0 149.193 AC 0.603 3 Anodyne high ACAAHN N[C@H]1c2ccccc2C[C@@H]1O N[C@H]1c2ccccc2C[C@@H]1O ZINC000000154813 28/16/84/169281684 LOPKSXMQWBYUOI-IUCAKERBSA-N 1 149.193 AC 0.603 0 Anodyne ref ACAARO [NH3+][C@H]1c2ccccc2C[C@@H]1O N[C@@H]1c2ccccc2C[C@@H]1O ZINC000000154815 26/13/29/169261329 LOPKSXMQWBYUOI-DTWKUNHWSA-N 0 149.193 AC 0.603 3 Anodyne high ACAAHN N[C@@H]1c2ccccc2C[C@@H]1O N[C@@H]1c2ccccc2C[C@@H]1O ZINC000000154815 26/13/28/169261328 LOPKSXMQWBYUOI-DTWKUNHWSA-N 1 149.193 AC 0.603 0 Anodyne ref ACAARO [NH3+][C@@H]1c2ccccc2C[C@@H]1O Cc1ccccc1OC[C@@H](O)CO ZINC000000154957 92/90/21/342929021 JWDYCNIAQWPBHD-VIFPVBQESA-N 0 182.219 AC 0.727 0 Anodyne ref ACAARN Cc1ccccc1OC[C@@H](O)CO in-man COC(=O)c1cccoc1=O ZINC000000155034 13/39/21/168133921 GJVZWOMUTYNUCE-UHFFFAOYSA-N 0 154.121 AC 0.426 0 Anodyne ref ACAARN COC(=O)c1cccoc1=O COc1ccc2no[n+]([O-])c2c1 ZINC000000155040 26/71/60/168267160 XCWFKHHSXPIDHN-UHFFFAOYSA-N 0 166.136 AC 0.47 0 Anodyne ref ACAARN COc1ccc2no[n+]([O-])c2c1 CCN1CC(=O)N(C)C1=S ZINC000000155054 20/01/72/167200172 HJARDFLUMLJZDG-UHFFFAOYSA-N 0 158.226 AC 0.065 0 Anodyne ref ACABRN CCN1CC(=O)N(C)C1=S COC(=O)CNC(=O)c1ccco1 ZINC000000155095 09/14/44/168091444 MPRFBNLQEYNYQK-UHFFFAOYSA-N 0 183.163 AC 0.182 0 Anodyne ref ACAARN COC(=O)CNC(=O)c1ccco1