Cc1cc(C2CCCCC2)n(O)c(=O)c1 ZINC000000001145 66/93/88/342669388 SCKYRAXSEDYPSA-UHFFFAOYSA-N 0 207.273 BE 2.442 1 Anodyne mid BEAAMN Cc1cc(C2CCCCC2)n(O)c(=O)c1 fda Cc1cc(C2CCCCC2)n(O)c(=O)c1 ZINC000000001145 66/93/86/342669386 SCKYRAXSEDYPSA-UHFFFAOYSA-N -1 207.273 BE 2.442 0 Anodyne ref BEAARM Cc1cc(C2CCCCC2)n([O-])c(=O)c1 fda O=C(Nc1ccc(O)cc1)c1ccccc1O ZINC000000001856 36/07/74/182360774 LGCMKPRGGJRYGM-UHFFFAOYSA-N -1 229.235 BE 2.35 1 Anodyne mid BEAAMM O=C(Nc1ccc(O)cc1)c1ccccc1[O-] in-man O=C(Nc1ccc(O)cc1)c1ccccc1O ZINC000000001856 36/07/68/182360768 LGCMKPRGGJRYGM-UHFFFAOYSA-N 0 229.235 BE 2.35 0 Anodyne ref BEAARN O=C(Nc1ccc(O)cc1)c1ccccc1O in-man CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O ZINC000000002220 66/95/75/342669575 RMWVZGDJPAKBDE-UHFFFAOYSA-N -1 248.156 BE 2.329 0 Anodyne ref BEAARM CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)[O-] world O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1 ZINC000000005389 81/80/05/383818005 SHZKQBHERIJWAO-AATRIKPKSA-N 0 228.251 BE 2.029 2 Anodyne low BEAALN O=C([O-])/C=C/c1ccc(Cn2cc[nH+]c2)cc1 investigational O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1 ZINC000000005389 81/80/02/383818002 SHZKQBHERIJWAO-AATRIKPKSA-N -1 228.251 BE 2.029 0 Anodyne ref BEAARM O=C([O-])/C=C/c1ccc(Cn2ccnc2)cc1 investigational NC1=NC[C@@H]2c3ccccc3Cc3ccccc3N12 ZINC000000006157 33/93/62/181339362 WHWZLSFABNNENI-OAHLLOKOSA-N 1 249.317 BE 2.467 0 Anodyne ref BEAARO [NH2+]=C1NC[C@@H]2c3ccccc3Cc3ccccc3N12 fda O=C(c1ccc2nccnc2c1)N1CCCCC1 ZINC000000006489 66/97/26/342669726 ANDGGVOPIJEHOF-UHFFFAOYSA-N 0 241.294 BE 2.256 0 Anodyne ref BEAARN O=C(c1ccc2nccnc2c1)N1CCCCC1 investigational O=C(c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000000009070 66/97/31/342669731 LJUNPHMOGNFFOS-UHFFFAOYSA-N 0 247.294 BE 2.084 0 Anodyne ref BEAARN O=C(c1ccc2c(c1)OCCO2)N1CCCCC1 investigational O=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000028449 66/99/87/342669987 RXNYJUSEXLAVNQ-UHFFFAOYSA-N -2 214.22 BE 2.329 3 Anodyne high BEAAHL O=C(c1ccc([O-])cc1)c1ccc([O-])cc1 in-vivo O=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000028449 66/99/86/342669986 RXNYJUSEXLAVNQ-UHFFFAOYSA-N 0 214.22 BE 2.329 0 Anodyne ref BEAARN O=C(c1ccc(O)cc1)c1ccc(O)cc1 in-vivo Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000000028531 47/09/20/487470920 OAVULPOOAHQYDZ-UHFFFAOYSA-N 0 211.677 BE 2.441 0 Anodyne ref BEAARN Nc1nnc(-c2ccc(Cl)cc2)s1 Cc1ccc(C(=O)O)cc1Br ZINC000000038386 81/98/74/383819874 ZFJOMUKPDWNRFI-UHFFFAOYSA-N -1 215.046 BE 2.456 0 Anodyne ref BEAARM Cc1ccc(C(=O)[O-])cc1Br COC(=O)c1ccc(Br)cc1 ZINC000000055169 82/21/41/383822141 CZNGTXVOZOWWKM-UHFFFAOYSA-N 0 215.046 BE 2.236 0 Anodyne ref BEAARN COC(=O)c1ccc(Br)cc1 in-vitro FC(F)(F)c1cccc(N2CCNCC2)c1 ZINC000000056464 31/26/38/132312638 KKIMDKMETPPURN-UHFFFAOYSA-N 0 230.233 BE 2.115 3 Anodyne high BEAAHN FC(F)(F)c1cccc(N2CCNCC2)c1 investigational FC(F)(F)c1cccc(N2CCNCC2)c1 ZINC000000056464 31/26/35/132312635 KKIMDKMETPPURN-UHFFFAOYSA-N 1 230.233 BE 2.115 0 Anodyne ref BEAARO FC(F)(F)c1cccc(N2CC[NH2+]CC2)c1 investigational O=C(O)COc1ccc(Cl)cc1Cl ZINC000000057143 82/22/72/383822272 OVSKIKFHRZPJSS-UHFFFAOYSA-N -1 221.039 BE 2.457 0 Anodyne ref BEAARM O=C([O-])COc1ccc(Cl)cc1Cl in-man endogenous COc1ccc2[nH]cc(CCN(C)C)c2c1 ZINC000000057152 20/25/44/175202544 ZSTKHSQDNIGFLM-UHFFFAOYSA-N 1 218.3 BE 2.281 0 Anodyne ref BEAARO COc1ccc2[nH]cc(CC[NH+](C)C)c2c1 in-man endogenous Cc1cc(I)ccc1N ZINC000000080446 09/87/98/188098798 BGKLFAQCHHCZRZ-UHFFFAOYSA-N 0 233.052 BE 2.182 0 Anodyne ref BEAARN Cc1cc(I)ccc1N c1ccc2c(c1)CCC[C@H]2C1=NCCN1 ZINC000000113426 82/74/74/383827474 BYJAVTDNIXVSPW-GFCCVEGCSA-N 1 200.285 BE 2.108 0 Anodyne ref BEAARO c1ccc2c(c1)CCC[C@H]2C1=[NH+]CCN1 fda c1ccc2c(c1)CCC[C@@H]2C1=NCCN1 ZINC000000113428 42/46/27/387424627 BYJAVTDNIXVSPW-LBPRGKRZSA-N 1 200.285 BE 2.108 0 Anodyne ref BEAARO c1ccc2c(c1)CCC[C@@H]2C1=[NH+]CCN1 fda c1ccc2c(CC3=NCCN3)cccc2c1 ZINC000000119717 42/54/08/387425408 CNIIGCLFLJGOGP-UHFFFAOYSA-N 1 210.28 BE 2.384 0 Anodyne ref BEAARO c1ccc2c(CC3=[NH+]CCN3)cccc2c1 fda O=C(O)Cc1cccc(C(F)(F)F)c1 ZINC000000119824 83/02/94/383830294 BLXXCCIBGGBDHI-UHFFFAOYSA-N -1 204.147 BE 2.333 0 Anodyne ref BEAARM O=C([O-])Cc1cccc(C(F)(F)F)c1 c1ccc([C@H]2CN3CCSC3=N2)cc1 ZINC000000119839 83/11/80/383831180 HLFSDGLLUJUHTE-SNVBAGLBSA-N 1 204.298 BE 2.146 1 Anodyne mid BEAAMO c1ccc([C@H]2CN3CCSC3=[NH+]2)cc1 world c1ccc([C@H]2CN3CCSC3=N2)cc1 ZINC000000119839 83/11/75/383831175 HLFSDGLLUJUHTE-SNVBAGLBSA-N 0 204.298 BE 2.146 0 Anodyne ref BEAARN c1ccc([C@H]2CN3CCSC3=N2)cc1 world Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 ZINC000000119905 67/53/80/342675380 DNVVZWSVACQWJE-UHFFFAOYSA-N 0 229.235 BE 2.194 0 Anodyne ref BEAARN Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 in-man O=C(O)Cc1ccc(C(F)(F)F)cc1 ZINC000000120057 82/96/44/383829644 HNORVZDAANCHAY-UHFFFAOYSA-N -1 204.147 BE 2.333 0 Anodyne ref BEAARM O=C([O-])Cc1ccc(C(F)(F)F)cc1 O=C(O)c1ccc(OC(F)(F)F)cc1 ZINC000000120453 67/53/88/342675388 RATSANVPHHXDCT-UHFFFAOYSA-N -1 206.119 BE 2.283 0 Anodyne ref BEAARM O=C([O-])c1ccc(OC(F)(F)F)cc1 N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000000120657 67/53/16/342675316 GEJJWYZZKKKSEV-UONOGXRCSA-N 0 213.28 BE 2.42 3 Anodyne high BEAAHN N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 in-vitro N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000000120657 67/53/15/342675315 GEJJWYZZKKKSEV-UONOGXRCSA-N 1 213.28 BE 2.42 0 Anodyne ref BEAARO [NH3+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 in-vitro OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000000133425 03/11/11/183031111 MMAJXKGUZYDTHV-UHFFFAOYSA-N 1 239.318 BE 2.453 1 Anodyne mid BEAAMO OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 in-vitro OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000000133425 03/11/10/183031110 MMAJXKGUZYDTHV-UHFFFAOYSA-N 0 239.318 BE 2.453 0 Anodyne ref BEAARN OC1CN(C(c2ccccc2)c2ccccc2)C1 in-vitro O=C1c2ccccc2C(=O)N1c1ccccc1 ZINC000000133969 84/46/83/182844683 MFUPLJQNEXUUDW-UHFFFAOYSA-N 0 223.231 BE 2.487 0 Anodyne ref BEAARN O=C1c2ccccc2C(=O)N1c1ccccc1 CC(=O)c1cc(Br)ccc1O ZINC000000152790 27/28/15/188272815 HQCCNFFIOWYINW-UHFFFAOYSA-N -1 215.046 BE 2.357 3 Anodyne high BEAAHM CC(=O)c1cc(Br)ccc1[O-] CC(=O)c1cc(Br)ccc1O ZINC000000152790 27/28/14/188272814 HQCCNFFIOWYINW-UHFFFAOYSA-N -1 215.046 BE 2.357 0 Anodyne ref BEAARM CC(=O)c1cc(Br)ccc1O CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000000153779 29/38/76/170293876 DVFJMQCNICEPAI-UHFFFAOYSA-N 0 234.211 BE 2.253 0 Bother ref BEBARN CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 N#Cc1ccc(Br)cc1F ZINC000000155137 09/69/48/181096948 HGXWRDPQFZKOLZ-UHFFFAOYSA-N 0 200.01 BE 2.46 0 Mild ref BEEARN N#Cc1ccc(Br)cc1F C[C@H](Oc1cccc(Cl)c1)C(=O)O ZINC000000155412 02/32/09/177023209 YNTJKQDWYXUTLZ-LURJTMIESA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@H](Oc1cccc(Cl)c1)C(=O)[O-] C[C@@H](Oc1cccc(Cl)c1)C(=O)O ZINC000000155413 00/46/35/176004635 YNTJKQDWYXUTLZ-ZCFIWIBFSA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)[O-] O=C(O)Cc1cccc(Br)c1 ZINC000000156261 83/63/17/383836317 KYNNBXCGXUOREX-UHFFFAOYSA-N -1 215.046 BE 2.076 0 Anodyne ref BEAARM O=C([O-])Cc1cccc(Br)c1 O=C(O)Cc1ccccc1Br ZINC000000156302 83/69/82/383836982 DWXSYDKEWORWBT-UHFFFAOYSA-N -1 215.046 BE 2.076 0 Anodyne ref BEAARM O=C([O-])Cc1ccccc1Br Nc1c(Cl)ccc(Cl)c1C(=O)O ZINC000000156349 66/82/99/181668299 MMIREQFMYZQWLU-UHFFFAOYSA-N -1 206.028 BE 2.274 0 Anodyne ref BEAARM Nc1c(Cl)ccc(Cl)c1C(=O)[O-] O=Cc1cc(Br)ccc1F ZINC000000157202 86/17/35/182861735 MMFGGDVQLQQQRX-UHFFFAOYSA-N 0 203.01 BE 2.401 0 Anodyne ref BEAARN O=Cc1cc(Br)ccc1F in-vitro Brc1ccc2c(c1)OCO2 ZINC000000158545 09/97/69/166099769 FBOYMIDCHINJKC-UHFFFAOYSA-N 0 201.019 BE 2.178 0 Anodyne ref BEAARN Brc1ccc2c(c1)OCO2 O=CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000000158639 85/06/26/182850626 ZJQMLJFHCKTCSF-UHFFFAOYSA-N 0 247.294 BE 2.234 0 Mild ref BEEARN O=CC1CCN(C(=O)OCc2ccccc2)CC1 O=C(O)c1cc(Br)cs1 ZINC000000159061 55/34/93/182553493 HJZFPRVFLBBAMU-UHFFFAOYSA-N -1 207.048 BE 2.209 0 Anodyne ref BEAARM O=C([O-])c1cc(Br)cs1 O=[N+]([O-])c1ccc(CBr)cc1 ZINC000000164454 17/75/69/560177569 VOLRSQPSJGXRNJ-UHFFFAOYSA-N 0 216.034 BE 2.49 0 Reactive ref BEGARN O=[N+]([O-])c1ccc(CBr)cc1 in-vitro COC(=O)c1ccc(CBr)cc1 ZINC000000165422 17/75/66/560177566 NLWBJPPMPLPZIE-UHFFFAOYSA-N 0 229.073 BE 2.368 0 Reactive ref BEGARN COC(=O)c1ccc(CBr)cc1 in-vitro N#Cc1cccc(C(=O)CBr)c1 ZINC000000166819 97/06/61/269970661 XWCGNFLHRINYCE-UHFFFAOYSA-N 0 224.057 BE 2.136 0 Reactive ref BEGARN N#Cc1cccc(C(=O)CBr)c1 in-vitro O=C(O)Cc1ccc(Br)cc1 ZINC000000167159 49/00/38/182490038 QOWSWEBLNVACCL-UHFFFAOYSA-N -1 215.046 BE 2.076 0 Anodyne ref BEAARM O=C([O-])Cc1ccc(Br)cc1 in-vitro COc1cc([N+](=O)[O-])c(F)cc1Cl ZINC000000170104 01/79/31/175017931 CRONHBXGPYQWHX-UHFFFAOYSA-N 0 205.572 BE 2.396 0 Bother ref BEBARN COc1cc([N+](=O)[O-])c(F)cc1Cl CCOC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000000210121 29/38/81/170293881 NPIUAXNFAUGNHP-UHFFFAOYSA-N 0 219.24 BE 2.353 0 Anodyne ref BEAARN CCOC(=O)c1cc2cc(OC)ccc2[nH]1 O=C(c1ccccc1)c1ccc(O)cc1O ZINC000000225430 68/07/02/342680702 ZXDDPOHVAMWLBH-UHFFFAOYSA-N -2 214.22 BE 2.329 3 Anodyne high BEAAHL O=C(c1ccccc1)c1ccc([O-])cc1[O-] in-vitro O=C(c1ccccc1)c1ccc(O)cc1O ZINC000000225430 68/07/01/342680701 ZXDDPOHVAMWLBH-UHFFFAOYSA-N 0 214.22 BE 2.329 1 Anodyne mid BEAAMN O=C(c1ccccc1)c1ccc(O)cc1O in-vitro O=C(c1ccccc1)c1ccc(O)cc1O ZINC000000225430 68/07/00/342680700 ZXDDPOHVAMWLBH-UHFFFAOYSA-N -1 214.22 BE 2.329 0 Anodyne ref BEAARM O=C(c1ccccc1)c1ccc(O)cc1[O-] in-vitro O=C1c2cc(O)ccc2-c2ccc(O)cc21 ZINC000000235319 84/54/19/383845419 CWHPQXRTQSNTRR-UHFFFAOYSA-N -1 212.204 BE 2.309 3 Anodyne high BEAAHM O=C1c2cc([O-])ccc2-c2ccc(O)cc21 O=C1c2cc(O)ccc2-c2ccc(O)cc21 ZINC000000235319 84/54/11/383845411 CWHPQXRTQSNTRR-UHFFFAOYSA-N 0 212.204 BE 2.309 0 Anodyne ref BEAARN O=C1c2cc(O)ccc2-c2ccc(O)cc21 OC1(c2cccc(C(F)(F)F)c2)CCNCC1 ZINC000000266400 02/28/84/183022884 ILKPZCKFWLTEBQ-UHFFFAOYSA-N 1 245.244 BE 2.276 0 Anodyne ref BEAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 CC(C)Oc1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000000266571 29/86/16/167298616 IQRQFDBETFFVOE-NSHDSACASA-N 0 219.284 BE 2.077 0 Anodyne ref BEAARN CC(C)Oc1ccc([C@@H]2CNC(=O)C2)cc1 CC(C)Oc1ccc([C@H]2CNC(=O)C2)cc1 ZINC000000266573 30/10/04/167301004 IQRQFDBETFFVOE-LLVKDONJSA-N 0 219.284 BE 2.077 0 Anodyne ref BEAARN CC(C)Oc1ccc([C@H]2CNC(=O)C2)cc1 O=C(O)c1cccc([N+](=O)[O-])c1Br ZINC000000330043 09/94/70/188099470 WTDJEGSXLFHZPY-UHFFFAOYSA-N -1 246.016 BE 2.056 0 Bother ref BEBARM O=C([O-])c1cccc([N+](=O)[O-])c1Br CC(=O)c1cncc(Br)c1 ZINC000000336792 27/30/97/188273097 LDBPZEQZCOUYFT-UHFFFAOYSA-N 0 200.035 BE 2.047 0 Anodyne ref BEAARN CC(=O)c1cncc(Br)c1 Fc1ccc2c(C3CCNCC3)noc2c1 ZINC000000383926 68/56/17/342685617 MRMGJMGHPJZSAE-UHFFFAOYSA-N 1 220.247 BE 2.434 0 Anodyne ref BEAARO Fc1ccc2c(C3CC[NH2+]CC3)noc2c1 in-vitro Clc1cccc(N2CCNCC2)c1Cl ZINC000000386729 31/35/41/132313541 UDQMXYJSNNCRAS-UHFFFAOYSA-N 0 231.126 BE 2.403 3 Anodyne high BEAAHN Clc1cccc(N2CCNCC2)c1Cl in-vitro Clc1cccc(N2CCNCC2)c1Cl ZINC000000386729 31/35/40/132313540 UDQMXYJSNNCRAS-UHFFFAOYSA-N 1 231.126 BE 2.403 0 Anodyne ref BEAARO Clc1cccc(N2CC[NH2+]CC2)c1Cl in-vitro C[C@H](N)c1ccc(Br)cc1 ZINC000000388328 68/59/46/342685946 SOZMSEPDYJGBEK-LURJTMIESA-N 1 200.079 BE 2.469 0 Anodyne ref BEAARO C[C@H]([NH3+])c1ccc(Br)cc1 C[C@@H](N)c1ccc(Br)cc1 ZINC000000388329 81/66/67/175816667 SOZMSEPDYJGBEK-ZCFIWIBFSA-N 1 200.079 BE 2.469 0 Anodyne ref BEAARO C[C@@H]([NH3+])c1ccc(Br)cc1 CCOC(OCC)C(=O)c1ccccc1 ZINC000000388477 31/65/02/170316502 PIZHFBODNLEQBL-UHFFFAOYSA-N 0 208.257 BE 2.268 0 Anodyne ref BEAARN CCOC(OCC)C(=O)c1ccccc1 COC(=O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000000394641 68/61/49/342686149 FGMUSNHTKNGVQD-CQSZACIVSA-N 0 234.295 BE 2.237 0 Anodyne ref BEAARN COC(=O)[C@@](O)(c1ccccc1)C1CCCC1 in-vitro O=C(O)c1ccccc1C(=O)c1ccc(O)cc1 ZINC000000394746 68/60/19/342686019 YGTUPRIZNBMOFV-UHFFFAOYSA-N -2 242.23 BE 2.321 1 Anodyne mid BEAAML O=C([O-])c1ccccc1C(=O)c1ccc([O-])cc1 O=C(O)c1ccccc1C(=O)c1ccc(O)cc1 ZINC000000394746 68/60/17/342686017 YGTUPRIZNBMOFV-UHFFFAOYSA-N -2 242.23 BE 2.321 0 Anodyne ref BEAARL O=C([O-])c1ccccc1C(=O)c1ccc(O)cc1 OCc1c(F)cc(Br)cc1F ZINC000000403515 16/03/51/183160351 LSRHFWSNUFIKER-UHFFFAOYSA-N 0 223.016 BE 2.22 0 Anodyne ref BEAARN OCc1c(F)cc(Br)cc1F Cc1c(Br)cccc1C(=O)O ZINC000000404232 86/45/26/383864526 BJGKVCKGUBYULR-UHFFFAOYSA-N -1 215.046 BE 2.456 0 Anodyne ref BEAARM Cc1c(Br)cccc1C(=O)[O-] Cc1cccc(C(=O)O)c1Br ZINC000000404236 02/57/17/179025717 LSRTWJCYIWGKCQ-UHFFFAOYSA-N -1 215.046 BE 2.456 0 Anodyne ref BEAARM Cc1cccc(C(=O)[O-])c1Br COc1cc(Br)ccc1N ZINC000000406213 86/63/03/383866303 WRFYIYOXJWKONR-UHFFFAOYSA-N 0 202.051 BE 2.04 0 Anodyne ref BEAARN COc1cc(Br)ccc1N CCOC(=O)c1cnc(Br)s1 ZINC000000407931 30/18/23/170301823 KTYIFXLNIMPSKI-UHFFFAOYSA-N 0 236.09 BE 2.082 0 Anodyne ref BEAARN CCOC(=O)c1cnc(Br)s1 CNCc1cccc(Br)c1 ZINC000000516930 40/84/07/187408407 QCEANFBGRBLXHN-UHFFFAOYSA-N 1 200.079 BE 2.168 0 Anodyne ref BEAARO C[NH2+]Cc1cccc(Br)c1 O=C(O)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000000548784 52/36/64/182523664 WFLUEQCOAQCQLP-CYBMUJFWSA-N -1 220.268 BE 2.149 0 Anodyne ref BEAARM O=C([O-])[C@@](O)(c1ccccc1)C1CCCC1 O=C(O)[C@](O)(c1ccccc1)C1CCCC1 ZINC000000548786 87/54/19/383875419 WFLUEQCOAQCQLP-ZDUSSCGKSA-N -1 220.268 BE 2.149 0 Anodyne ref BEAARM O=C([O-])[C@](O)(c1ccccc1)C1CCCC1 Clc1cccc(Cl)c1N=C1NCCN1 ZINC000000896484 69/44/13/342694413 GJSURZIOUXUGAL-UHFFFAOYSA-N 0 230.098 BE 2.174 3 Mild high BEEAHN Clc1cccc(Cl)c1NC1=NCCN1 fda aggregator Clc1cccc(Cl)c1N=C1NCCN1 ZINC000000896484 69/44/11/342694411 GJSURZIOUXUGAL-UHFFFAOYSA-N 0 230.098 BE 2.174 0 Mild ref BEEARN Clc1cccc(Cl)c1NC1=[NH+]CCN1 fda aggregator O=Cc1ccc(Br)cc1F ZINC000001081226 88/82/92/383888292 UPCARQPLANFGQJ-UHFFFAOYSA-N 0 203.01 BE 2.401 0 Anodyne ref BEAARN O=Cc1ccc(Br)cc1F in-vitro O=C(O)c1ccc(F)cc1Br ZINC000001081357 56/79/29/182567929 RRKPMLZRLKTDQV-UHFFFAOYSA-N -1 219.009 BE 2.286 0 Anodyne ref BEAARM O=C([O-])c1ccc(F)cc1Br O=C(O)c1ccc(Br)cc1F ZINC000001081497 88/95/68/383889568 ZQQSRVPOAHYHEL-UHFFFAOYSA-N -1 219.009 BE 2.286 0 Anodyne ref BEAARM O=C([O-])c1ccc(Br)cc1F Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl ZINC000001237662 69/85/36/342698536 NQQVFXUMIDALNH-UHFFFAOYSA-N -1 241.461 BE 2.322 0 Anodyne ref BEAARM Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)O)C1 ZINC000001420807 70/03/15/342700315 QZYGREZDLJVVSV-VIFPVBQESA-N -1 243.303 BE 2.108 0 Anodyne ref BEAARM CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)[O-])C1 CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)O)C1 ZINC000001420808 70/04/87/342700487 QZYGREZDLJVVSV-SECBINFHSA-N -1 243.303 BE 2.108 0 Anodyne ref BEAARM CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)[O-])C1 CC(C)(C)OC(=O)NC1CCC(=O)CC1 ZINC000001433125 66/00/48/166660048 WYVFPGFWUKBXPZ-UHFFFAOYSA-N 0 213.277 BE 2.023 0 Anodyne ref BEAARN CC(C)(C)OC(=O)NC1CCC(=O)CC1 CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1 ZINC000001433132 64/74/43/166647443 ZXFLMSIMHISJFV-UHFFFAOYSA-N -1 243.303 BE 2.108 0 Anodyne ref BEAARM CC(C)(C)OC(=O)N1CCC(CC(=O)[O-])CC1 CC(C)(C)OC(=O)N1CCC(C#N)CC1 ZINC000001436283 64/71/45/166647145 UQADQTBQNVARAP-UHFFFAOYSA-N 0 210.277 BE 2.157 0 Mild ref BEEARN CC(C)(C)OC(=O)N1CCC(C#N)CC1 in-vitro Cc1nc(C#Cc2cccnc2)cs1 ZINC000001489321 36/42/50/187364250 NRBNGHCYDWUVLC-UHFFFAOYSA-N 0 200.266 BE 2.246 0 Mild ref BEEARN Cc1nc(C#Cc2cccnc2)cs1 investigational FCOC(C(F)(F)F)C(F)(F)F ZINC000001530810 70/24/96/342702496 DFEYYRMXOJXZRJ-UHFFFAOYSA-N 0 200.053 BE 2.423 0 Mild ref BEEARN FCOC(C(F)(F)F)C(F)(F)F fda CCCN[C@@H](C)C(=O)Nc1ccccc1C ZINC000001530816 27/47/71/169274771 MVFGUOIZUNYYSO-NSHDSACASA-N 0 220.316 BE 2.322 3 Anodyne high BEAAHN CCCN[C@@H](C)C(=O)Nc1ccccc1C fda CCCN[C@@H](C)C(=O)Nc1ccccc1C ZINC000001530816 27/47/69/169274769 MVFGUOIZUNYYSO-NSHDSACASA-N 1 220.316 BE 2.322 0 Anodyne ref BEAARO CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C fda CCCN[C@H](C)C(=O)Nc1ccccc1C ZINC000001530817 28/49/11/169284911 MVFGUOIZUNYYSO-LLVKDONJSA-N 0 220.316 BE 2.322 3 Anodyne high BEAAHN CCCN[C@H](C)C(=O)Nc1ccccc1C fda CCCN[C@H](C)C(=O)Nc1ccccc1C ZINC000001530817 28/49/10/169284910 MVFGUOIZUNYYSO-LLVKDONJSA-N 1 220.316 BE 2.322 0 Anodyne ref BEAARO CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C fda O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001540301 93/24/84/182932484 VYZAHLCBVHPDDF-UHFFFAOYSA-N 0 202.553 BE 2.156 0 Bother ref BEBARN O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1 investigational metabolite O=[N+]([O-])c1cccc(Br)c1 ZINC000001566594 70/33/74/342703374 FWIROFMBWVMWLB-UHFFFAOYSA-N 0 202.007 BE 2.357 0 Bother ref BEBARN O=[N+]([O-])c1cccc(Br)c1 in-vitro Cc1ccc(Br)c(C(=O)O)c1 ZINC000001571176 97/12/42/190971242 ZXMISUUIYPFORW-UHFFFAOYSA-N -1 215.046 BE 2.456 0 Anodyne ref BEAARM Cc1ccc(Br)c(C(=O)[O-])c1