Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000031348 69/95/34/181699534 WEHVQIQNGXWTME-UHFFFAOYSA-N 0 206.245 BC 0.741 0 Anodyne ref BCAARN Nc1ccc(C(=O)N2CCOCC2)cc1 in-vitro Cc1[nH]c(=O)[nH]c(=O)c1Br ZINC000000032330 67/03/23/342670323 HEAXNUZNYDEXFG-UHFFFAOYSA-N -1 205.011 BC 0.134 1 Anodyne mid BCAAMM Cc1[nH]c(=O)[n-]c(=O)c1Br in-vitro biogenic Cc1[nH]c(=O)[nH]c(=O)c1Br ZINC000000032330 67/03/22/342670322 HEAXNUZNYDEXFG-UHFFFAOYSA-N 0 205.011 BC 0.134 0 Anodyne ref BCAARN Cc1[nH]c(=O)[nH]c(=O)c1Br in-vitro biogenic CC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000036650 75/49/49/187754949 STMRGLKPBJVVEG-UHFFFAOYSA-N 0 203.197 BC 0.872 0 Anodyne ref BCAARN CC(=O)CN1C(=O)c2ccccc2C1=O in-vitro CCOC(=O)Cn1nnc2ccccc21 ZINC000000050612 23/80/28/170238028 DAWOQVVENZAAPT-UHFFFAOYSA-N 0 205.217 BC 0.994 0 Anodyne ref BCAARN CCOC(=O)Cn1nnc2ccccc21 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 COC(=O)c1cc(N)cc(C(=O)OC)c1 ZINC000000057151 82/18/20/383821820 DEKPYXUDJRABNK-UHFFFAOYSA-N 0 209.201 BC 0.842 0 Anodyne ref BCAARN COC(=O)c1cc(N)cc(C(=O)OC)c1 O=C(O)CN1C(=O)c2ccccc2C1=O ZINC000000064576 82/10/99/383821099 WQINSVOOIJDOLJ-UHFFFAOYSA-N -1 205.169 BC 0.367 0 Anodyne ref BCAARM O=C([O-])CN1C(=O)c2ccccc2C1=O in-vitro NC(=O)c1cncc(Br)c1 ZINC000000071433 30/85/37/181308537 YOQRXZIMSKLRCY-UHFFFAOYSA-N 0 201.023 BC 0.943 0 Anodyne ref BCAARN NC(=O)c1cncc(Br)c1 in-vivo Cc1cc(C)c(C#N)c(S(C)(=O)=O)n1 ZINC000000074050 60/46/70/388604670 FSZHPIKMYHHGLP-UHFFFAOYSA-N 0 210.258 BC 0.974 0 Mild ref BCEARN Cc1cc(C)c(C#N)c(S(C)(=O)=O)n1 Nc1cc(=O)[nH]c(=O)n1-c1ccccc1 ZINC000000085286 67/36/25/342673625 OSEUDSKXNZLSRV-UHFFFAOYSA-N 0 203.201 BC 0.108 0 Anodyne ref BCAARN Nc1cc(=O)[nH]c(=O)n1-c1ccccc1 in-vitro biogenic O=C(O)c1nnn(Cc2ccccc2)c1C(=O)O ZINC000000085616 67/38/50/342673850 IYYBUXUZYWGZGB-UHFFFAOYSA-N -2 247.21 BC 0.723 0 Anodyne ref BCAARL O=C([O-])c1nnn(Cc2ccccc2)c1C(=O)[O-] 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 COC(=O)[C@H](Cc1ccccc1)NC(C)=O ZINC000000087571 07/62/83/358076283 IKGHIFGXPVLPFD-NSHDSACASA-N 0 221.256 BC 0.907 0 Anodyne ref BCAARN COC(=O)[C@H](Cc1ccccc1)NC(C)=O COC(=O)[C@@H](Cc1ccccc1)NC(C)=O ZINC000000087573 70/38/02/173703802 IKGHIFGXPVLPFD-LLVKDONJSA-N 0 221.256 BC 0.907 0 Anodyne ref BCAARN COC(=O)[C@@H](Cc1ccccc1)NC(C)=O O=C(O)CCN1C(=O)c2ccccc2C1=O ZINC000000091964 82/30/47/383823047 DXXHRZUOTPMGEH-UHFFFAOYSA-N -1 219.196 BC 0.757 0 Anodyne ref BCAARM O=C([O-])CCN1C(=O)c2ccccc2C1=O CCOC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000098387 21/81/72/170218172 NYNCZOLNVTXTTP-UHFFFAOYSA-N 0 233.223 BC 0.846 0 Anodyne ref BCAARN CCOC(=O)CN1C(=O)c2ccccc2C1=O CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1 ZINC000000112604 67/49/63/342674963 DGVPSAQTQGLBAM-UHFFFAOYSA-N -1 229.257 BC 0.635 0 Anodyne ref BCAARM CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 O=C(O)/C=C/C(=O)NCc1ccccc1 ZINC000000114248 67/51/62/342675162 BHWGQIYJCMMSNM-VOTSOKGWSA-N -1 205.213 BC 0.944 0 Anodyne ref BCAARM O=C([O-])/C=C/C(=O)NCc1ccccc1 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 C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000122247 67/56/92/342675692 OZWUITKBAWTEAQ-LURJTMIESA-N -1 219.196 BC 0.756 0 Anodyne ref BCAARM C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O in-vitro C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000122249 58/32/67/176583267 OZWUITKBAWTEAQ-ZCFIWIBFSA-N -1 219.196 BC 0.756 0 Anodyne ref BCAARM C[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O in-vitro Nc1nonc1C(=O)NCc1ccccc1 ZINC000000128069 82/94/03/383829403 WIZWIPZFCXEPIC-UHFFFAOYSA-N 0 218.216 BC 0.582 0 Anodyne ref BCAARN Nc1nonc1C(=O)NCc1ccccc1 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-] Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000000134154 67/62/78/342676278 QMKJOZVQZBJSEC-UHFFFAOYSA-N 0 217.228 BC 0.167 0 Anodyne ref BCAARN Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1 in-vitro CC(=O)N[C@@H](Cc1ccccc1)C(=O)O ZINC000000135391 83/22/68/383832268 CBQJSKKFNMDLON-JTQLQIEISA-N -1 207.229 BC 0.818 0 Anodyne ref BCAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] world endogenous CC(=O)N[C@H](Cc1ccccc1)C(=O)O ZINC000000135392 09/91/16/188099116 CBQJSKKFNMDLON-SNVBAGLBSA-N -1 207.229 BC 0.818 0 Anodyne ref BCAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] in-man endogenous O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O ZINC000000149795 25/57/18/385255718 KFIRODWJCYBBHY-UHFFFAOYSA-N -2 211.129 BC 0.991 0 Bother ref BCBARL O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)[O-] in-vitro CS(=O)(=O)c1cccc(C(=O)O)c1 ZINC000000153770 43/84/39/175438439 KUTBMATZUQWFSR-UHFFFAOYSA-N -1 200.215 BC 0.788 0 Anodyne ref BCAARM CS(=O)(=O)c1cccc(C(=O)[O-])c1 Cc1ccccc1-n1c(N)cc(=O)[nH]c1=O ZINC000000171088 24/15/23/179241523 RBMMXLOBIFBZFC-UHFFFAOYSA-N 0 217.228 BC 0.416 0 Anodyne ref BCAARN Cc1ccccc1-n1c(N)cc(=O)[nH]c1=O O=C(O)CNS(=O)(=O)c1ccccc1 ZINC000000187388 84/27/81/383842781 WTSZSAHZIMPSDM-UHFFFAOYSA-N -1 215.23 BC 0.049 0 Anodyne ref BCAARM O=C([O-])CNS(=O)(=O)c1ccccc1 in-vivo CCOC(=O)c1sc(NN)nc1C ZINC000000194092 31/09/12/170310912 AKDLXADPIMDRES-UHFFFAOYSA-N -1 201.251 BC 0.914 1 Anodyne mid BCAAMM CCOC(=O)c1sc(=NN)[n-]c1C CCOC(=O)c1sc(NN)nc1C ZINC000000194092 31/09/10/170310910 AKDLXADPIMDRES-UHFFFAOYSA-N 0 201.251 BC 0.914 1 Anodyne mid BCAAMN CCOC(=O)c1sc(NN)nc1C CCOC(=O)c1sc(NN)nc1C ZINC000000194092 31/09/08/170310908 AKDLXADPIMDRES-UHFFFAOYSA-N 0 201.251 BC 0.914 0 Anodyne ref BCAARN CCOC(=O)c1sc(=NN)[nH]c1C Cc1ccc(NC(=O)C[C@H](N)C(=O)O)cc1 ZINC000000195900 84/14/21/383841421 ZXLWZMFWXVQOSJ-VIFPVBQESA-N -1 222.244 BC 0.736 3 Anodyne high BCAAHM Cc1ccc(NC(=O)C[C@H](N)C(=O)[O-])cc1 Cc1ccc(NC(=O)C[C@H](N)C(=O)O)cc1 ZINC000000195900 84/14/13/383841413 ZXLWZMFWXVQOSJ-VIFPVBQESA-N 0 222.244 BC 0.736 0 Anodyne ref BCAARN Cc1ccc(NC(=O)C[C@H]([NH3+])C(=O)[O-])cc1 Cc1ccc(NC(=O)C[C@@H](N)C(=O)O)cc1 ZINC000000195902 84/12/24/383841224 ZXLWZMFWXVQOSJ-SECBINFHSA-N -1 222.244 BC 0.736 3 Anodyne high BCAAHM Cc1ccc(NC(=O)C[C@@H](N)C(=O)[O-])cc1 Cc1ccc(NC(=O)C[C@@H](N)C(=O)O)cc1 ZINC000000195902 84/12/11/383841211 ZXLWZMFWXVQOSJ-SECBINFHSA-N 0 222.244 BC 0.736 0 Anodyne ref BCAARN Cc1ccc(NC(=O)C[C@@H]([NH3+])C(=O)[O-])cc1 O=c1ccn(Cc2ccccc2)c(=O)[nH]1 ZINC000000198569 00/33/32/183003332 VYBPQVFJJKEBLA-UHFFFAOYSA-N 0 202.213 BC 0.585 0 Anodyne ref BCAARN O=c1ccn(Cc2ccccc2)c(=O)[nH]1 O=C(O)CSC(=S)N1CCOCC1 ZINC000000198722 84/08/94/383840894 JCECLSATASZQQB-UHFFFAOYSA-N -1 221.303 BC 0.421 0 Anodyne ref BCAARM O=C([O-])CSC(=S)N1CCOCC1 O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000000236276 97/46/73/182974673 RYMLSFWVYNAKAR-UHFFFAOYSA-N 0 207.145 BC 0.125 0 Bother ref BCBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O in-vivo COc1ccc2c(c1OC)C(=O)NC2=O ZINC000000238883 22/22/62/175222262 CQXJYTYXSDPYCB-UHFFFAOYSA-N -1 207.185 BC 0.587 1 Anodyne mid BCAAMM COc1ccc2c(c1OC)C(=O)[N-]C2=O COc1ccc2c(c1OC)C(=O)NC2=O ZINC000000238883 22/22/59/175222259 CQXJYTYXSDPYCB-UHFFFAOYSA-N 0 207.185 BC 0.587 0 Anodyne ref BCAARN COc1ccc2c(c1OC)C(=O)NC2=O CCOC(=O)Cn1c(Cl)c(C=O)sc1=O ZINC000000250748 23/67/59/170236759 ITLZDQLBVPTHHN-UHFFFAOYSA-N 0 249.675 BC 0.939 0 Anodyne ref BCAARN CCOC(=O)Cn1c(Cl)c(C=O)sc1=O Cn1c(=O)cc(NCc2ccccc2)[nH]c1=O ZINC000000267645 68/18/57/342681857 SSUJDSOIUQWHRZ-UHFFFAOYSA-N 0 231.255 BC 0.686 0 Anodyne ref BCAARN Cn1c(=O)cc(NCc2ccccc2)[nH]c1=O O=C(O)[C@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000000314387 68/31/19/342683119 SSCXSGYHQKJLBC-ZETCQYMHSA-N -1 221.212 BC 0.83 0 Anodyne ref BCAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(O)c2)C1 O=C(O)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000000314389 68/30/96/342683096 SSCXSGYHQKJLBC-SSDOTTSWSA-N -1 221.212 BC 0.83 0 Anodyne ref BCAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(O)c2)C1 O=C(O)c1ccoc1CN1CCOCC1 ZINC000000316337 68/30/93/342683093 WSBKJYRHFNGTRA-UHFFFAOYSA-N 0 211.217 BC 0.81 2 Anodyne low BCAALN O=C([O-])c1ccoc1C[NH+]1CCOCC1 O=C(O)c1ccoc1CN1CCOCC1 ZINC000000316337 68/30/92/342683092 WSBKJYRHFNGTRA-UHFFFAOYSA-N -1 211.217 BC 0.81 0 Anodyne ref BCAARM O=C([O-])c1ccoc1CN1CCOCC1 NC(NC(=O)c1ccccc1)=C1C(=O)CCC1=O ZINC000000323496 32/42/37/181324237 HDDVXYFNKOSEQL-UHFFFAOYSA-N 0 244.25 BC 0.519 0 Mild ref BCEARN NC(NC(=O)c1ccccc1)=C1C(=O)CCC1=O NC(=O)c1ncn(Cc2ccccc2)c1N ZINC000000330026 31/42/26/181314226 JAODJMVGFQELNO-UHFFFAOYSA-N 0 216.244 BC 0.612 0 Anodyne ref BCAARN NC(=O)c1ncn(Cc2ccccc2)c1N COC(=O)C1(N2C(=O)c3ccccc3C2=O)CC1 ZINC000000330298 68/33/15/342683315 VNHBWHYGCCJDRQ-UHFFFAOYSA-N 0 245.234 BC 0.988 0 Anodyne ref BCAARN COC(=O)C1(N2C(=O)c3ccccc3C2=O)CC1 O=C1c2ccccc2C(=O)N1C1(C(=O)O)CC1 ZINC000000330300 84/49/14/182844914 UMAOBVDWRYDLKW-UHFFFAOYSA-N -1 231.207 BC 0.9 0 Anodyne ref BCAARM O=C1c2ccccc2C(=O)N1C1(C(=O)[O-])CC1 Cn1c(=O)c2ncc(C(C)(C)C)nc2n(C)c1=O ZINC000000330376 61/06/81/180610681 FKUZDXKJOXRLBU-UHFFFAOYSA-N 0 248.286 BC 0.325 0 Anodyne ref BCAARN Cn1c(=O)c2ncc(C(C)(C)C)nc2n(C)c1=O CSc1nc(NC(C)=O)cc(=O)n1C ZINC000000330416 68/33/54/342683354 CVZSDSXJHULWMR-UHFFFAOYSA-N 0 213.262 BC 0.461 0 Anodyne ref BCAARN CSc1nc(NC(C)=O)cc(=O)n1C COc1cc(NC(C)=O)nc(N(C)C)n1 ZINC000000330431 00/06/07/175000607 IDYUIOXXRGDPBB-UHFFFAOYSA-N 0 210.237 BC 0.51 0 Anodyne ref BCAARN COc1cc(NC(C)=O)nc(N(C)C)n1 COc1cc(NC(C)=O)nc(NC(C)=O)n1 ZINC000000330432 00/10/46/175001046 USJQNHDDZRTBPE-UHFFFAOYSA-N 0 224.22 BC 0.402 0 Anodyne ref BCAARN COc1cc(NC(C)=O)nc(NC(C)=O)n1 CCCn1c(Cl)cc(=O)n(C)c1=O ZINC000000330440 68/34/10/342683410 HXXGHKGTYZMJLP-UHFFFAOYSA-N 0 202.641 BC 0.61 0 Anodyne ref BCAARN CCCn1c(Cl)cc(=O)n(C)c1=O CNc1nc2ccccc2nc1C(N)=O ZINC000000330524 85/39/93/383853993 DVVNMULNYRMUET-UHFFFAOYSA-N 0 202.217 BC 0.77 0 Anodyne ref BCAARN CNc1nc2ccccc2nc1C(N)=O C[n+]1cnc2n(Cc3ccccc3)cnc(N)c1-2 ZINC000000330551 68/34/05/342683405 YJMRLOOGRKRJGI-UHFFFAOYSA-O 1 240.29 BC 0.838 0 Anodyne ref BCAARO C[n+]1cnc2n(Cc3ccccc3)cnc(N)c1-2 NC(=O)c1cccnc1Br ZINC000000330878 30/73/74/181307374 IHOOHSQJKUMHIG-UHFFFAOYSA-N 0 201.023 BC 0.943 0 Anodyne ref BCAARN NC(=O)c1cccnc1Br NNc1cc(Cl)nc(N2CCOCC2)n1 ZINC000000331112 15/25/19/357152519 OXYVCVZVOPAOGZ-UHFFFAOYSA-N 0 229.671 BC 0.252 3 Anodyne high BCAAHN NNc1cc(Cl)nc(N2CCOCC2)n1 NNc1cc(Cl)nc(N2CCOCC2)n1 ZINC000000331112 15/25/11/357152511 OXYVCVZVOPAOGZ-UHFFFAOYSA-N 1 229.671 BC 0.252 0 Anodyne ref BCAARO NNc1cc(Cl)nc(N2CCOCC2)[nH+]1 O=C(O)C(CCc1ccccn1)C(=O)O ZINC000000331265 96/95/96/190969596 RNUWCQALPWWLTH-UHFFFAOYSA-N -2 209.201 BC 0.8 0 Anodyne ref BCAARL O=C([O-])C(CCc1ccccn1)C(=O)[O-] NC(=O)c1nc(-c2ccccc2)c[n+]([O-])c1N ZINC000000331354 31/27/80/181312780 GFGHRHXTGPUSEB-UHFFFAOYSA-N 0 230.227 BC 0.063 0 Anodyne ref BCAARN NC(=O)c1nc(-c2ccccc2)c[n+]([O-])c1N Cc1ccc(-c2c[n+]([O-])c(N)c(C(N)=O)n2)cc1 ZINC000000331405 31/80/72/178318072 YJJPPAWQLINUSS-UHFFFAOYSA-N 0 244.254 BC 0.372 0 Anodyne ref BCAARN Cc1ccc(-c2c[n+]([O-])c(N)c(C(N)=O)n2)cc1 Cc1ncnc(NN)c1Br ZINC000000331521 29/08/54/180290854 AVPGLDJNFAIPAQ-UHFFFAOYSA-N 0 203.043 BC 0.833 1 Anodyne mid BCAAMN Cc1ncnc(NN)c1Br Cc1ncnc(NN)c1Br ZINC000000331521 29/08/51/180290851 AVPGLDJNFAIPAQ-UHFFFAOYSA-N 1 203.043 BC 0.833 1 Anodyne mid BCAAMO Cc1nc[nH+]c(NN)c1Br Cc1ncnc(NN)c1Br ZINC000000331521 29/08/47/180290847 AVPGLDJNFAIPAQ-UHFFFAOYSA-N 0 203.043 BC 0.833 0 Anodyne ref BCAARN Cc1[nH]cnc(=NN)c1Br Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21 ZINC000000331794 68/36/03/342683603 XJMWKAJCIMJIJK-UHFFFAOYSA-N 0 228.211 BC 0.122 2 Bother low BCBALN Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21 in-vitro biogenic Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21 ZINC000000331794 68/36/02/342683602 XJMWKAJCIMJIJK-UHFFFAOYSA-N -1 228.211 BC 0.122 0 Bother ref BCBARM Cn1c2nc(=O)[n-]c(=O)c-2nc2ccccc21 in-vitro biogenic CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(C)C ZINC000000332039 38/36/54/172383654 KZQJFRFIKAVJBF-NXEZZACHSA-N 0 224.304 BC 0.745 0 Anodyne ref BCAARN CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N(C)C CN(C)C(=O)[C@H]1CC=CC[C@@H]1C(=O)N(C)C ZINC000000332040 38/66/33/172386633 KZQJFRFIKAVJBF-UWVGGRQHSA-N 0 224.304 BC 0.745 0 Anodyne ref BCAARN CN(C)C(=O)[C@H]1CC=CC[C@@H]1C(=O)N(C)C O=C(O)CONC(=O)Cc1ccccc1 ZINC000000332044 85/41/49/383854149 UPVVIWAJTWEWOA-UHFFFAOYSA-N -2 209.201 BC 0.361 3 Anodyne high BCAAHL O=C([O-])CO[N-]C(=O)Cc1ccccc1 O=C(O)CONC(=O)Cc1ccccc1 ZINC000000332044 85/41/46/383854146 UPVVIWAJTWEWOA-UHFFFAOYSA-N -1 209.201 BC 0.361 0 Anodyne ref BCAARM O=C([O-])CONC(=O)Cc1ccccc1 COC(=O)CNc1ccccc1C(=O)O ZINC000000332921 61/09/14/173610914 AKCIMWNRRUVYMQ-UHFFFAOYSA-N -1 209.201 BC 0.97 0 Anodyne ref BCAARM COC(=O)CNc1ccccc1C(=O)[O-] COC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000333110 68/36/68/342683668 JINKRJDUNDRREU-UHFFFAOYSA-N 0 219.196 BC 0.456 0 Anodyne ref BCAARN COC(=O)CN1C(=O)c2ccccc2C1=O COC1(OC)[C@@H](C#N)[C@H](C#N)C1(OC)OC ZINC000000333296 01/04/60/174010460 UEOXSCPTBWUUCO-YUMQZZPRSA-N 0 226.232 BC 0.258 0 Mild ref BCEARN COC1(OC)[C@@H](C#N)[C@H](C#N)C1(OC)OC COC1(OC)[C@H](C#N)[C@@H](C#N)C1(OC)OC ZINC000000333298 01/09/58/174010958 UEOXSCPTBWUUCO-HTQZYQBOSA-N 0 226.232 BC 0.258 0 Mild ref BCEARN COC1(OC)[C@H](C#N)[C@@H](C#N)C1(OC)OC COC1(OC)[C@@H](C)C(C#N)(C#N)C1(OC)OC ZINC000000333326 01/09/34/174010934 CLLQMTMFUOUOCX-QMMMGPOBSA-N 0 240.259 BC 0.648 0 Mild ref BCEARN COC1(OC)[C@@H](C)C(C#N)(C#N)C1(OC)OC COC1(OC)[C@H](C)C(C#N)(C#N)C1(OC)OC ZINC000000333328 01/08/60/174010860 CLLQMTMFUOUOCX-MRVPVSSYSA-N 0 240.259 BC 0.648 0 Mild ref BCEARN COC1(OC)[C@H](C)C(C#N)(C#N)C1(OC)OC O=C(O)/C=C/C(=O)NCc1ccccn1 ZINC000000333403 68/36/27/342683627 FOQZNKXNPAOEFO-SNAWJCMRSA-N -1 206.201 BC 0.339 0 Anodyne ref BCAARM O=C([O-])/C=C/C(=O)NCc1ccccn1 CC(C)NC(=O)c1nc2ncc(C=O)cn2n1 ZINC000000333665 09/29/03/167092903 ATKJKXOUKUXNJH-UHFFFAOYSA-N 0 233.231 BC 0.075 0 Anodyne ref BCAARN CC(C)NC(=O)c1nc2ncc(C=O)cn2n1 O=C1CN(/N=C/c2ccccc2)C(=O)N1 ZINC000000334335 68/36/35/342683635 PEVLAELZNUZRPV-IZZDOVSWSA-N -1 203.201 BC 0.572 3 Mild high BCEAHM O=C1CN(/N=C/c2ccccc2)C(=O)[N-]1 in-vitro O=C1CN(/N=C/c2ccccc2)C(=O)N1 ZINC000000334335 68/36/33/342683633 PEVLAELZNUZRPV-IZZDOVSWSA-N 0 203.201 BC 0.572 0 Mild ref BCEARN O=C1CN(/N=C/c2ccccc2)C(=O)N1 in-vitro O=C(OC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000000334486 60/32/04/182603204 MAYAWTAYWBXUSP-SECBINFHSA-N 0 241.199 BC 0.105 0 Bother ref BCBARN O=C(OC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 O=C(OC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000000334488 70/17/11/344701711 MAYAWTAYWBXUSP-VIFPVBQESA-N 0 241.199 BC 0.105 0 Bother ref BCBARN O=C(OC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 Cc1ncnc(N)c1I ZINC000000334495 29/06/22/180290622 SRJWVTJTDKPYHH-UHFFFAOYSA-N 0 235.028 BC 0.972 0 Anodyne ref BCAARN Cc1ncnc(N)c1I CN1CCN(c2ncccc2C#N)CC1 ZINC000000334968 31/33/74/132313374 HZIUSLVQWZDMIE-UHFFFAOYSA-N 1 202.261 BC 0.705 1 Mild mid BCEAMO C[NH+]1CCN(c2ncccc2C#N)CC1 CN1CCN(c2ncccc2C#N)CC1 ZINC000000334968 31/33/71/132313371 HZIUSLVQWZDMIE-UHFFFAOYSA-N 0 202.261 BC 0.705 0 Mild ref BCEARN CN1CCN(c2ncccc2C#N)CC1 COC(=O)c1cc[n+](C)cc1C(=O)OC ZINC000000334999 86/40/84/173864084 GQKMZDCICSXUSI-UHFFFAOYSA-N 1 210.209 BC 0.084 0 Anodyne ref BCAARO COC(=O)c1cc[n+](C)cc1C(=O)OC Clc1nn2cnnc2c2nccnc12 ZINC000000335759 68/37/93/342683793 NTBIXPZZAMHQJS-UHFFFAOYSA-N 0 206.596 BC 0.721 0 Anodyne ref BCAARN Clc1nn2cnnc2c2nccnc12 NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000000335939 24/84/80/181248480 KQYKQOCNLKRGIM-UHFFFAOYSA-N 0 202.213 BC 0.939 0 Anodyne ref BCAARN NC(=O)Cn1cc(C=O)c2ccccc21 COCc1cc(C)n(CC(=O)O)c(=O)c1C#N ZINC000000336359 61/83/02/174618302 WHTISUHSZYGVJQ-UHFFFAOYSA-N -1 236.227 BC 0.259 0 Mild ref BCEARM COCc1cc(C)n(CC(=O)[O-])c(=O)c1C#N CCOC(=O)Cn1nc2ccccc2n1 ZINC000000336498 23/76/17/170237617 VYAALFMMOCYOMC-UHFFFAOYSA-N 0 205.217 BC 0.994 0 Anodyne ref BCAARN CCOC(=O)Cn1nc2ccccc2n1 CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC000000336918 28/38/94/173283894 IJCANIYLPFPGPM-UHFFFAOYSA-N 0 209.245 BC 0.992 0 Anodyne ref BCAARN CNC(=O)Cc1ccc(OC)c(OC)c1 CN(C)Cc1ccc2c(c1CO)OCO2 ZINC000000336954 68/38/63/342683863 LQKYPJQSDQKDPB-UHFFFAOYSA-N 0 209.245 BC 0.969 3 Anodyne high BCAAHN CN(C)Cc1ccc2c(c1CO)OCO2 CN(C)Cc1ccc2c(c1CO)OCO2 ZINC000000336954 68/38/62/342683862 LQKYPJQSDQKDPB-UHFFFAOYSA-N 1 209.245 BC 0.969 0 Anodyne ref BCAARO C[NH+](C)Cc1ccc2c(c1CO)OCO2