CSc1nc(Cl)c(C#N)c(SC)n1 ZINC000000025696 20/67/63/363206763 CKEHROIIODXBQW-UHFFFAOYSA-N 0 231.733 BE 2.445 0 Mild ref BEEARN CSc1nc(Cl)c(C#N)c(SC)n1 CCOC(=O)C[C@H](N)c1ccccc1Cl ZINC000000043550 23/36/13/170233613 CMHQPWVJHDPNEY-JTQLQIEISA-N 0 227.691 BE 2.293 3 Anodyne high BEAAHN CCOC(=O)C[C@H](N)c1ccccc1Cl CCOC(=O)C[C@H](N)c1ccccc1Cl ZINC000000043550 23/36/12/170233612 CMHQPWVJHDPNEY-JTQLQIEISA-N 1 227.691 BE 2.293 0 Anodyne ref BEAARO CCOC(=O)C[C@H]([NH3+])c1ccccc1Cl CCOC(=O)C[C@@H](N)c1ccccc1Cl ZINC000000043551 23/09/65/170230965 CMHQPWVJHDPNEY-SNVBAGLBSA-N 0 227.691 BE 2.293 3 Anodyne high BEAAHN CCOC(=O)C[C@@H](N)c1ccccc1Cl CCOC(=O)C[C@@H](N)c1ccccc1Cl ZINC000000043551 23/09/63/170230963 CMHQPWVJHDPNEY-SNVBAGLBSA-N 1 227.691 BE 2.293 0 Anodyne ref BEAARO CCOC(=O)C[C@@H]([NH3+])c1ccccc1Cl NC(=O)c1sc(-c2ccsc2)cc1N ZINC000000081904 31/43/18/181314318 BMUACLADCKCNKZ-UHFFFAOYSA-N 0 224.31 BE 2.158 0 Anodyne ref BEAARN NC(=O)c1sc(-c2ccsc2)cc1N in-vivo C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)O ZINC000000103546 48/41/09/387484109 OEZHHHFRMDIKIH-UCUJLANTSA-N -1 216.236 BE 2.492 0 Anodyne ref BEAARM C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)[O-] aggregator C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)O ZINC000000103556 41/13/35/177411335 OEZHHHFRMDIKIH-XCODYQFDSA-N -1 216.236 BE 2.492 0 Anodyne ref BEAARM C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)[O-] NC(=S)c1sccc1Br ZINC000000109153 32/29/11/181322911 LJHCNGDJUDDXLP-UHFFFAOYSA-N 0 222.132 BE 2.145 0 Anodyne ref BEAARN NC(=S)c1sccc1Br O=C(O)[C@@H](c1ccccc1)n1cccc1 ZINC000000111687 67/49/75/342674975 FNRJAIIHCKGTCV-LLVKDONJSA-N -1 201.225 BE 2.162 0 Anodyne ref BEAARM O=C([O-])[C@@H](c1ccccc1)n1cccc1 COC(=O)c1sc2c(C#N)cccc2c1N ZINC000000142201 36/23/39/369362339 POMQECNHCVEEKJ-UHFFFAOYSA-N 0 232.264 BE 2.142 0 Mild ref BEEARN COC(=O)c1sc2c(C#N)cccc2c1N Sc1ncnc2c1cnn2-c1ccccc1 ZINC000000154608 67/77/73/342677773 ZWJJSSALBGCODZ-UHFFFAOYSA-N -1 228.28 BE 2.104 1 Anodyne mid BEAAMM S=c1[n-]cnc2c1cnn2-c1ccccc1 Sc1ncnc2c1cnn2-c1ccccc1 ZINC000000154608 67/77/71/342677771 ZWJJSSALBGCODZ-UHFFFAOYSA-N 0 228.28 BE 2.104 0 Anodyne ref BEAARN S=c1[nH]cnc2c1cnn2-c1ccccc1 CC(=O)c1c(C(=O)O)c(C)n(C2CC2)c1C ZINC000000161935 67/83/05/342678305 JSEIYOKZAHNTFI-UHFFFAOYSA-N -1 221.256 BE 2.341 0 Anodyne ref BEAARM CC(=O)c1c(C(=O)[O-])c(C)n(C2CC2)c1C CCOC(=O)c1csc(-c2cccnc2)n1 ZINC000000172307 27/24/84/188272484 UXJLPDWBCGOLPH-UHFFFAOYSA-N 0 234.28 BE 2.382 0 Anodyne ref BEAARN CCOC(=O)c1csc(-c2cccnc2)n1 O=C1NCCCN1Cc1ccc(Cl)cc1 ZINC000000215799 79/93/63/182799363 AAAJHRMBUHXWLD-UHFFFAOYSA-N 0 224.691 BE 2.255 0 Anodyne ref BEAARN O=C1NCCCN1Cc1ccc(Cl)cc1 C#CCn1c(=N)sc2cc(C)ccc21 ZINC000000271949 17/69/91/527176991 IUEABMPIJVCILT-UHFFFAOYSA-N 0 202.282 BE 2.124 0 Mild ref BEEARN C#CCn1c(=N)sc2cc(C)ccc21 COc1ccc2nc(C(=O)O)sc2c1 ZINC000000340142 22/80/54/175228054 JDKMYJZEGZZJOH-UHFFFAOYSA-N -1 209.226 BE 2.003 0 Anodyne ref BEAARM COc1ccc2nc(C(=O)[O-])sc2c1 CC(C)CNC(=O)c1ccc(Cl)c(N)c1 ZINC000000365589 68/52/09/342685209 XQMAOLZOUVKKEF-UHFFFAOYSA-N 0 226.707 BE 2.308 0 Anodyne ref BEAARN CC(C)CNC(=O)c1ccc(Cl)c(N)c1 c1ccc(-c2cn3ncsc3n2)cc1 ZINC000000392291 38/12/72/183381272 GFPSTSCYNCOYTN-UHFFFAOYSA-N 0 201.254 BE 2.458 0 Anodyne ref BEAARN c1ccc(-c2cn3ncsc3n2)cc1 CCOc1cc(C=O)c(Cl)cc1O ZINC000000465773 68/80/85/342688085 NAPMZRRXHMAKEP-UHFFFAOYSA-N 0 200.621 BE 2.257 1 Anodyne mid BEAAMN CCOc1cc(C=O)c(Cl)cc1O CCOc1cc(C=O)c(Cl)cc1O ZINC000000465773 68/80/83/342688083 NAPMZRRXHMAKEP-UHFFFAOYSA-N -1 200.621 BE 2.257 0 Anodyne ref BEAARM CCOc1cc(C=O)c(Cl)cc1[O-] O=c1nc2n(c3ccccc13)Cc1ccccc1-2 ZINC000000519029 01/18/64/183011864 XFTFEVDUFOHBTF-UHFFFAOYSA-N 0 234.258 BE 2.425 0 Anodyne ref BEAARN O=c1nc2n(c3ccccc13)Cc1ccccc1-2 Nn1c(C2CCCCC2)nc2ccccc2c1=O ZINC000000818218 68/12/70/388681270 UTXWCFSTRZXNQG-UHFFFAOYSA-N 0 243.31 BE 2.158 0 Anodyne ref BEAARN Nn1c(C2CCCCC2)nc2ccccc2c1=O C[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C ZINC000001076024 05/65/38/177056538 PUVALBABJRFOQO-VXGBXAGGSA-N 1 217.312 BE 2.486 1 Anodyne mid BEAAMO C[C@H]1C(=O)CC[N@@H+](Cc2ccccc2)[C@@H]1C C[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C ZINC000001076024 05/65/36/177056536 PUVALBABJRFOQO-VXGBXAGGSA-N 1 217.312 BE 2.486 1 Anodyne mid BEAAMO C[C@H]1C(=O)CC[N@H+](Cc2ccccc2)[C@@H]1C C[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C ZINC000001076024 05/65/34/177056534 PUVALBABJRFOQO-VXGBXAGGSA-N 0 217.312 BE 2.486 0 Anodyne ref BEAARN C[C@H]1C(=O)CCN(Cc2ccccc2)[C@@H]1C COc1ccc(-c2ncccc2O)cc1OC ZINC000001512554 04/08/44/175040844 JFDJCKRMLIGDHB-UHFFFAOYSA-N 0 231.251 BE 2.471 0 Anodyne ref BEABRN COc1ccc(-c2ncccc2O)cc1OC CCOC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000001624219 18/40/42/170184042 JBPNCPVTNOZJMQ-UHFFFAOYSA-N 0 241.674 BE 2.15 0 Anodyne ref BEAARN CCOC(=O)C(=O)Nc1cccc(Cl)c1C O=C(O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N1 ZINC000001664702 70/75/39/342707539 CIDBGTQSUQXHLM-UWVGGRQHSA-N 0 225.675 BE 2.218 0 Anodyne ref BEAARN O=C([O-])[C@@H]1CC[C@@H](c2ccc(Cl)cc2)[NH2+]1 COc1ccc(C(=O)c2ccccn2)cc1 ZINC000001673541 40/89/77/187408977 ZYZQOYSKLICWGX-UHFFFAOYSA-N 0 213.236 BE 2.321 0 Anodyne ref BEAARN COc1ccc(C(=O)c2ccccn2)cc1 CCOCc1ccc(O)c2ncccc12 ZINC000001717597 92/83/23/383928323 JQYCYUYNAZPXJQ-UHFFFAOYSA-N -1 203.241 BE 2.477 3 Anodyne high BEAAHM CCOCc1ccc([O-])c2ncccc12 CCOCc1ccc(O)c2ncccc12 ZINC000001717597 92/83/15/383928315 JQYCYUYNAZPXJQ-UHFFFAOYSA-N 0 203.241 BE 2.477 0 Anodyne ref BEAARN CCOCc1ccc(O)c2ncccc12 Nc1nccc(-c2c[nH]c3ccccc23)n1 ZINC000001864765 71/31/66/342713166 QNMZWFNNJMGJPU-UHFFFAOYSA-N 0 210.24 BE 2.207 0 Anodyne ref BEAARN Nc1nccc(-c2c[nH]c3ccccc23)n1 O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000002013356 20/64/18/363206418 GFJKASVFAWFUNI-UHFFFAOYSA-N 0 202.553 BE 2.156 0 Bother ref BEBARN O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1 O=C(O)CCC(=O)c1c(F)cccc1F ZINC000002378728 95/92/44/383959244 ZZKJZIUCLOKLOT-UHFFFAOYSA-N -1 214.167 BE 2.012 0 Anodyne ref BEAARM O=C([O-])CCC(=O)c1c(F)cccc1F O=C(O)CCCC(=O)c1ccccc1F ZINC000002378735 95/96/72/383959672 JLWPLUVEHPUZJI-UHFFFAOYSA-N -1 210.204 BE 2.263 0 Anodyne ref BEAARM O=C([O-])CCCC(=O)c1ccccc1F C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000002383934 24/74/04/166247404 WPKPUPUWFHDYRR-VIFPVBQESA-N -1 243.303 BE 2.321 0 Mild ref BEEARM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] Cc1cc(I)cc(F)n1 ZINC000002384111 96/13/87/383961387 LJTFIDJMXXZXPN-UHFFFAOYSA-N 0 237.015 BE 2.134 0 Anodyne ref BEAARN Cc1cc(I)cc(F)n1 N[C@@H](CC(=O)O)Cc1ccc(Cl)c(Cl)c1 ZINC000002385859 71/96/48/342719648 MVUQWYZNNRALPX-SSDOTTSWSA-N 0 248.109 BE 2.338 0 Anodyne ref BEAARN [NH3+][C@@H](CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 CC(C)(C)OC(=O)N1CCCC[C@@H]1C#N ZINC000002385976 71/97/97/342719797 LKAJZBMOVZIKHA-SECBINFHSA-N 0 210.277 BE 2.3 0 Mild ref BEEARN CC(C)(C)OC(=O)N1CCCC[C@@H]1C#N COC(=O)c1ccc([C@@H]2CCCCN2)cc1 ZINC000002391729 15/66/08/384156608 MCVNPUNNHRUTMY-LBPRGKRZSA-N 1 219.284 BE 2.288 0 Anodyne ref BEAARO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)cc1 COC(=O)c1ccc(CC2CCNCC2)cc1 ZINC000002391770 87/22/18/173872218 RMWYXTUXQXGDBW-UHFFFAOYSA-N 1 233.311 BE 2.015 0 Anodyne ref BEAARO COC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 C[C@H]1[C@@H](C)C(=O)CCN1Cc1ccccc1 ZINC000002510510 96/94/98/383969498 PUVALBABJRFOQO-NEPJUHHUSA-N 1 217.312 BE 2.486 1 Anodyne mid BEAAMO C[C@H]1[C@@H](C)C(=O)CC[N@H+]1Cc1ccccc1 C[C@H]1[C@@H](C)C(=O)CCN1Cc1ccccc1 ZINC000002510510 96/94/95/383969495 PUVALBABJRFOQO-NEPJUHHUSA-N 1 217.312 BE 2.486 1 Anodyne mid BEAAMO C[C@H]1[C@@H](C)C(=O)CC[N@@H+]1Cc1ccccc1 C[C@H]1[C@@H](C)C(=O)CCN1Cc1ccccc1 ZINC000002510510 96/94/88/383969488 PUVALBABJRFOQO-NEPJUHHUSA-N 0 217.312 BE 2.486 0 Anodyne ref BEAARN C[C@H]1[C@@H](C)C(=O)CCN1Cc1ccccc1 NCc1ccc(Oc2ccccn2)cc1 ZINC000002513163 48/59/89/181485989 KEZPKTKSLDRLFT-UHFFFAOYSA-N 1 200.241 BE 2.333 0 Anodyne ref BEAARO [NH3+]Cc1ccc(Oc2ccccn2)cc1 Oc1ccc2[nH]c(-c3cscn3)nc2c1 ZINC000002521490 27/79/22/183277922 VNENJHUOPQAPAT-UHFFFAOYSA-N 0 217.253 BE 2.392 1 Anodyne mid BEAAMN Oc1ccc2nc(-c3cscn3)[nH]c2c1 in-vitro Oc1ccc2[nH]c(-c3cscn3)nc2c1 ZINC000002521490 27/79/20/183277920 VNENJHUOPQAPAT-UHFFFAOYSA-N 0 217.253 BE 2.392 0 Anodyne ref BEAARN Oc1ccc2[nH]c(-c3cscn3)nc2c1 in-vitro O=C(O)C(O)(c1cccs1)c1cccs1 ZINC000002525482 56/71/39/371567139 FVEJUHUCFCAYRP-UHFFFAOYSA-N -1 240.305 BE 2.13 0 Anodyne ref BEAARM O=C([O-])C(O)(c1cccs1)c1cccs1 NCc1ccccc1Oc1ccccn1 ZINC000002529096 97/16/79/383971679 DMJWPOGKCPDYGZ-UHFFFAOYSA-N 0 200.241 BE 2.333 3 Anodyne high BEAAHN NCc1ccccc1Oc1ccccn1 NCc1ccccc1Oc1ccccn1 ZINC000002529096 97/16/76/383971676 DMJWPOGKCPDYGZ-UHFFFAOYSA-N 1 200.241 BE 2.333 0 Anodyne ref BEAARO [NH3+]Cc1ccccc1Oc1ccccn1 CSc1nsc(SC)c1CN ZINC000002534277 72/31/63/342723163 DUIBMKNYTBLCQM-UHFFFAOYSA-N 0 206.361 BE 2.046 3 Anodyne high BEAAHN CSc1nsc(SC)c1CN CSc1nsc(SC)c1CN ZINC000002534277 72/31/62/342723162 DUIBMKNYTBLCQM-UHFFFAOYSA-N 1 206.361 BE 2.046 0 Anodyne ref BEAARO CSc1nsc(SC)c1C[NH3+] CCCNCc1nnc(-c2ccccc2)o1 ZINC000002534280 26/98/50/169269850 ULQMOTCPKQUPDH-UHFFFAOYSA-N 0 217.272 BE 2.236 1 Anodyne mid BEAAMN CCCNCc1nnc(-c2ccccc2)o1 CCCNCc1nnc(-c2ccccc2)o1 ZINC000002534280 26/98/48/169269848 ULQMOTCPKQUPDH-UHFFFAOYSA-N 1 217.272 BE 2.236 0 Anodyne ref BEAARO CCC[NH2+]Cc1nnc(-c2ccccc2)o1 Nc1cnn(Cc2cccc(Cl)c2)c1 ZINC000002534296 72/31/76/342723176 WHFMWXVGLGPVDW-UHFFFAOYSA-N 0 207.664 BE 2.167 0 Anodyne ref BEAARN Nc1cnn(Cc2cccc(Cl)c2)c1 CCOC(=O)Cn1nc(C2CC2)cc1C(F)F ZINC000002534330 92/01/50/520920150 JIUHAANXCQKIQZ-UHFFFAOYSA-N 0 244.241 BE 2.261 0 Anodyne ref BEAARN CCOC(=O)Cn1nc(C2CC2)cc1C(F)F Nc1nn(COc2ccccc2F)cc1Cl ZINC000002534933 97/12/75/383971275 ULHCANIKGDFDFW-UHFFFAOYSA-N 0 241.653 BE 2.294 0 Anodyne ref BEAARN Nc1nn(COc2ccccc2F)cc1Cl Nc1cnn(COc2cccc(Cl)c2)c1 ZINC000002535032 72/31/08/342723108 IEEOTFKZXXMMJO-UHFFFAOYSA-N 0 223.663 BE 2.155 0 Anodyne ref BEAARN Nc1cnn(COc2cccc(Cl)c2)c1 Nc1cnn(COc2ccccc2Cl)c1 ZINC000002535033 72/30/92/342723092 BVGLCOCXWJCHGX-UHFFFAOYSA-N 0 223.663 BE 2.155 0 Anodyne ref BEAARN Nc1cnn(COc2ccccc2Cl)c1 CCc1ccc(OCn2cc(N)cn2)cc1 ZINC000002535042 27/51/04/188275104 UCCPXDFAFSBJBC-UHFFFAOYSA-N 0 217.272 BE 2.064 0 Anodyne ref BEAARN CCc1ccc(OCn2cc(N)cn2)cc1 COc1ccc(CNCc2cn(C)nc2C)cc1 ZINC000002536050 10/80/94/175108094 QTOWXMDBGVAMFO-UHFFFAOYSA-N 0 245.326 BE 2.027 1 Anodyne mid BEAAMN COc1ccc(CNCc2cn(C)nc2C)cc1 COc1ccc(CNCc2cn(C)nc2C)cc1 ZINC000002536050 10/80/91/175108091 QTOWXMDBGVAMFO-UHFFFAOYSA-N 1 245.326 BE 2.027 0 Anodyne ref BEAARO COc1ccc(C[NH2+]Cc2cn(C)nc2C)cc1 Cc1nn(C)cc1CNCc1ccc(F)cc1 ZINC000002536051 72/31/72/342723172 HCWRWDXQGNOZND-UHFFFAOYSA-N 0 233.29 BE 2.157 1 Anodyne mid BEAAMN Cc1nn(C)cc1CNCc1ccc(F)cc1 Cc1nn(C)cc1CNCc1ccc(F)cc1 ZINC000002536051 72/31/71/342723171 HCWRWDXQGNOZND-UHFFFAOYSA-N 1 233.29 BE 2.157 0 Anodyne ref BEAARO Cc1nn(C)cc1C[NH2+]Cc1ccc(F)cc1 COc1ccc(CNCc2cnn(C)c2C)cc1 ZINC000002536058 10/83/82/175108382 SKZJUNHRAWUZKK-UHFFFAOYSA-N 0 245.326 BE 2.027 1 Anodyne mid BEAAMN COc1ccc(CNCc2cnn(C)c2C)cc1 COc1ccc(CNCc2cnn(C)c2C)cc1 ZINC000002536058 10/83/79/175108379 SKZJUNHRAWUZKK-UHFFFAOYSA-N 1 245.326 BE 2.027 0 Anodyne ref BEAARO COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 Cc1c(CNCc2ccc(F)cc2)cnn1C ZINC000002536059 72/31/84/342723184 CVXHIGKCTJZPNC-UHFFFAOYSA-N 0 233.29 BE 2.157 1 Anodyne mid BEAAMN Cc1c(CNCc2ccc(F)cc2)cnn1C Cc1c(CNCc2ccc(F)cc2)cnn1C ZINC000002536059 72/31/83/342723183 CVXHIGKCTJZPNC-UHFFFAOYSA-N 1 233.29 BE 2.157 0 Anodyne ref BEAARO Cc1c(C[NH2+]Cc2ccc(F)cc2)cnn1C CCn1cc(CNCc2ccccc2)cn1 ZINC000002536061 17/17/55/172171755 XSCIKDBVIWSHPH-UHFFFAOYSA-N 0 215.3 BE 2.193 1 Anodyne mid BEAAMN CCn1cc(CNCc2ccccc2)cn1 CCn1cc(CNCc2ccccc2)cn1 ZINC000002536061 17/17/53/172171753 XSCIKDBVIWSHPH-UHFFFAOYSA-N 1 215.3 BE 2.193 0 Anodyne ref BEAARO CCn1cc(C[NH2+]Cc2ccccc2)cn1 CCn1nccc1CNCc1ccccc1 ZINC000002536109 27/12/64/172271264 BNQPMGKGUUKXKP-UHFFFAOYSA-N 0 215.3 BE 2.193 1 Anodyne mid BEAAMN CCn1nccc1CNCc1ccccc1 CCn1nccc1CNCc1ccccc1 ZINC000002536109 27/12/62/172271262 BNQPMGKGUUKXKP-UHFFFAOYSA-N 1 215.3 BE 2.193 0 Anodyne ref BEAARO CCn1nccc1C[NH2+]Cc1ccccc1 CCOc1ccc(NCc2cnn(C)c2)cc1 ZINC000002536120 72/31/20/342723120 PZFPYVIECDZSAI-UHFFFAOYSA-N 0 231.299 BE 2.431 0 Anodyne ref BEAARN CCOc1ccc(NCc2cnn(C)c2)cc1 Cn1cc(CNc2ccc(F)cc2)cn1 ZINC000002536132 72/30/52/342723052 QZRGNKJGNZIGRI-UHFFFAOYSA-N 0 205.236 BE 2.171 0 Anodyne ref BEAARN Cn1cc(CNc2ccc(F)cc2)cn1 Cn1cc(CNc2cccc(F)c2)cn1 ZINC000002536137 72/31/77/342723177 JBPANXRWFZGVMY-UHFFFAOYSA-N 0 205.236 BE 2.171 0 Anodyne ref BEAARN Cn1cc(CNc2cccc(F)c2)cn1 COc1ccccc1NCc1ccnn1C ZINC000002536377 33/74/49/175337449 HUWQRDBLUCQZOM-UHFFFAOYSA-N 0 217.272 BE 2.041 0 Anodyne ref BEAARN COc1ccccc1NCc1ccnn1C Cn1nccc1CNc1ccc(F)cc1 ZINC000002536388 97/17/23/383971723 DLBLTGRRXRGIPS-UHFFFAOYSA-N 0 205.236 BE 2.171 0 Anodyne ref BEAARN Cn1nccc1CNc1ccc(F)cc1 Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 ZINC000002537052 29/96/42/178299642 YWWJNWUVNHXUKS-FSPLSTOPSA-N 0 219.21 BE 2.499 0 Anodyne ref BEAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2 Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 ZINC000002537053 30/00/55/178300055 GVCUYVSDJYMDMA-CAHLUQPWSA-N 0 201.22 BE 2.202 0 Anodyne ref BEAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 CCN(CC)CC[C@H](N)c1ccccc1 ZINC000002538807 72/33/75/342723375 KSAIKFIIHCKXGT-ZDUSSCGKSA-N 1 206.333 BE 2.418 3 Anodyne high BEAAHO CCN(CC)CC[C@H]([NH3+])c1ccccc1 CCN(CC)CC[C@H](N)c1ccccc1 ZINC000002538807 72/33/74/342723374 KSAIKFIIHCKXGT-ZDUSSCGKSA-N 2 206.333 BE 2.418 1 Anodyne mid BEAAMP CC[NH+](CC)CC[C@H]([NH3+])c1ccccc1 CCN(CC)CC[C@H](N)c1ccccc1 ZINC000002538807 72/33/72/342723372 KSAIKFIIHCKXGT-ZDUSSCGKSA-N 1 206.333 BE 2.418 0 Anodyne ref BEAARO CC[NH+](CC)CC[C@H](N)c1ccccc1 NCc1ccc(Oc2cccnc2)cc1 ZINC000002538837 97/43/23/383974323 QWHHBGLRFYJJDW-UHFFFAOYSA-N 1 200.241 BE 2.333 0 Anodyne ref BEAARO [NH3+]Cc1ccc(Oc2cccnc2)cc1 Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 ZINC000002558369 76/11/07/181761107 FIKZUMYTIFYXAB-UHFFFAOYSA-N 0 245.179 BE 2.07 0 Anodyne ref BEAARN Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 CC(C)(C)OC(=O)[C@@H](N)C1CCCCC1 ZINC000002562508 72/41/80/342724180 SOPMMEPRLRLVOS-JTQLQIEISA-N 0 213.321 BE 2.236 1 Anodyne mid BEAAMN CC(C)(C)OC(=O)[C@@H](N)C1CCCCC1 CC(C)(C)OC(=O)[C@@H](N)C1CCCCC1 ZINC000002562508 72/41/78/342724178 SOPMMEPRLRLVOS-JTQLQIEISA-N 1 213.321 BE 2.236 0 Anodyne ref BEAARO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CCCCC1 COCCNc1nc(=S)[nH]c2ccccc12 ZINC000002932949 34/17/71/174341771 OAXFOZYJIUOBAH-UHFFFAOYSA-N 0 235.312 BE 2.351 0 Anodyne ref BEAARN COCCNc1[nH]c(=S)nc2ccccc12 Brc1ccc(-n2nccn2)cc1 ZINC000003204434 09/74/19/166097419 DUKDRWHFWAKSGZ-UHFFFAOYSA-N 0 224.061 BE 2.03 0 Anodyne ref BEAARN Brc1ccc(-n2nccn2)cc1 CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000003640823 23/94/84/521239484 FNFSOYGIQWSIEX-UHFFFAOYSA-N 0 224.256 BE 2.305 0 Anodyne ref BEAARN CCC(=O)c1cc(OC)c(OC)c(OC)c1 OC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682943 11/79/43/183117943 JWKYWLDINRFVBK-GFCCVEGCSA-N 0 223.291 BE 2.03 3 Anodyne high BEAAHN OC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 OC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682943 11/79/41/183117941 JWKYWLDINRFVBK-GFCCVEGCSA-N 1 223.291 BE 2.03 1 Anodyne mid BEAAMO OC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 OC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682943 11/79/36/183117936 JWKYWLDINRFVBK-GFCCVEGCSA-N 1 223.291 BE 2.03 0 Anodyne ref BEAARO OC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 OC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682945 15/04/03/183150403 JWKYWLDINRFVBK-LBPRGKRZSA-N 0 223.291 BE 2.03 3 Anodyne high BEAAHN OC[C@H]1CCCN(Cc2ccc(F)cc2)C1 OC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682945 15/04/01/183150401 JWKYWLDINRFVBK-LBPRGKRZSA-N 1 223.291 BE 2.03 1 Anodyne mid BEAAMO OC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 OC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000003682945 15/04/00/183150400 JWKYWLDINRFVBK-LBPRGKRZSA-N 1 223.291 BE 2.03 0 Anodyne ref BEAARO OC[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 COc1ccccc1-c1csc(CN)n1 ZINC000003709640 30/99/93/175309993 GVGVKWGKLPYOIS-UHFFFAOYSA-N 0 220.297 BE 2.277 1 Anodyne mid BEAAMN COc1ccccc1-c1csc(CN)n1 COc1ccccc1-c1csc(CN)n1 ZINC000003709640 30/99/91/175309991 GVGVKWGKLPYOIS-UHFFFAOYSA-N 1 220.297 BE 2.277 0 Anodyne ref BEAARO COc1ccccc1-c1csc(C[NH3+])n1 Cc1c(Cl)cccc1N1CCNCC1 ZINC000003716187 31/57/46/132315746 XSWFFTOMNHATMS-UHFFFAOYSA-N 0 210.708 BE 2.058 3 Anodyne high BEAAHN Cc1c(Cl)cccc1N1CCNCC1