O=C(CS)Nc1ccccc1Cl ZINC000000043854 00/55/04/182005504 YWEROQPLZVORDW-UHFFFAOYSA-N 0 201.678 BE 2.208 0 Mild ref BEEARN O=C(CS)Nc1ccccc1Cl N#Cc1n[nH]c(-c2cccc(Br)c2)n1 ZINC000000048819 16/71/89/181167189 QELMUXYSPFQBAE-UHFFFAOYSA-N -1 249.071 BE 2.106 3 Mild high BEEAHM N#Cc1n[n-]c(-c2cccc(Br)c2)n1 N#Cc1n[nH]c(-c2cccc(Br)c2)n1 ZINC000000048819 16/71/88/181167188 QELMUXYSPFQBAE-UHFFFAOYSA-N -1 249.071 BE 2.106 3 Mild high BEEAHM N#Cc1nc(-c2cccc(Br)c2)n[n-]1 N#Cc1n[nH]c(-c2cccc(Br)c2)n1 ZINC000000048819 16/71/87/181167187 QELMUXYSPFQBAE-UHFFFAOYSA-N -1 249.071 BE 2.106 3 Mild high BEEAHM N#Cc1nnc(-c2cccc(Br)c2)[n-]1 N#Cc1n[nH]c(-c2cccc(Br)c2)n1 ZINC000000048819 16/71/86/181167186 QELMUXYSPFQBAE-UHFFFAOYSA-N 0 249.071 BE 2.106 0 Mild ref BEEARN N#Cc1n[nH]c(-c2cccc(Br)c2)n1 c1ccc(C[C@@H]2NCCn3cccc32)cc1 ZINC000000186715 84/25/28/383842528 LHCUTESRDMXEBA-ZDUSSCGKSA-N 0 212.296 BE 2.375 3 Anodyne high BEAAHN c1ccc(C[C@@H]2NCCn3cccc32)cc1 c1ccc(C[C@@H]2NCCn3cccc32)cc1 ZINC000000186715 84/25/19/383842519 LHCUTESRDMXEBA-ZDUSSCGKSA-N 1 212.296 BE 2.375 0 Anodyne ref BEAARO c1ccc(C[C@@H]2[NH2+]CCn3cccc32)cc1 c1ccc(C[C@H]2NCCn3cccc32)cc1 ZINC000000186720 84/29/37/383842937 LHCUTESRDMXEBA-CYBMUJFWSA-N 0 212.296 BE 2.375 3 Anodyne high BEAAHN c1ccc(C[C@H]2NCCn3cccc32)cc1 c1ccc(C[C@H]2NCCn3cccc32)cc1 ZINC000000186720 84/29/33/383842933 LHCUTESRDMXEBA-CYBMUJFWSA-N 1 212.296 BE 2.375 0 Anodyne ref BEAARO c1ccc(C[C@H]2[NH2+]CCn3cccc32)cc1 CC1CCC(NC2CCC(O)CC2)CC1 ZINC000000221320 16/24/35/168162435 MTMTYFVAPKIEOQ-UHFFFAOYSA-N 1 211.349 BE 2.458 0 Anodyne ref BEAARO CC1CCC([NH2+]C2CCC(O)CC2)CC1 CCOC(=O)c1c(C)nc2ccccc2c1N ZINC000000269858 28/83/82/170288382 LRXJUYOPYYMLFD-UHFFFAOYSA-N 0 230.267 BE 2.302 1 Anodyne mid BEAAMN CCOC(=O)c1c(C)nc2ccccc2c1N CCOC(=O)c1c(C)nc2ccccc2c1N ZINC000000269858 28/83/79/170288379 LRXJUYOPYYMLFD-UHFFFAOYSA-N 1 230.267 BE 2.302 0 Anodyne ref BEAARO CCOC(=O)c1c(C)[nH+]c2ccccc2c1N Cn1nc(-c2ccccc2Cl)cc1C(=O)O ZINC000000324105 68/32/81/342683281 VEYJAUIZTGGPIP-UHFFFAOYSA-N -1 236.658 BE 2.439 0 Anodyne ref BEAARM Cn1nc(-c2ccccc2Cl)cc1C(=O)[O-] Fc1ccc(-c2noc([C@H]3CCCNC3)n2)cc1 ZINC000000324403 68/32/79/342683279 VEKBAAWTNGXQKZ-JTQLQIEISA-N 1 247.273 BE 2.343 0 Anodyne ref BEAARO Fc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 Fc1ccc(-c2noc([C@@H]3CCCNC3)n2)cc1 ZINC000000324404 68/33/51/342683351 VEKBAAWTNGXQKZ-SNVBAGLBSA-N 1 247.273 BE 2.343 0 Anodyne ref BEAARO Fc1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1 Fc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000000325037 68/33/12/342683312 MNMVPVCQOZPXSE-SNVBAGLBSA-N 0 233.246 BE 2.3 3 Anodyne high BEAAHN Fc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 Fc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000000325037 68/33/11/342683311 MNMVPVCQOZPXSE-SNVBAGLBSA-N 1 233.246 BE 2.3 0 Anodyne ref BEAARO Fc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1 Fc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000000325038 68/32/98/342683298 MNMVPVCQOZPXSE-JTQLQIEISA-N 0 233.246 BE 2.3 3 Anodyne high BEAAHN Fc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 Fc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000000325038 68/32/97/342683297 MNMVPVCQOZPXSE-JTQLQIEISA-N 1 233.246 BE 2.3 0 Anodyne ref BEAARO Fc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1 CCOC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000333136 23/67/56/170236756 COAIGDWAGRYSIR-UHFFFAOYSA-N 0 238.674 BE 2.322 1 Anodyne mid BEAAMN CCOC(=O)Cc1nc2ccc(Cl)cc2[nH]1 CCOC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000000333136 23/67/55/170236755 COAIGDWAGRYSIR-UHFFFAOYSA-N 0 238.674 BE 2.322 0 Anodyne ref BEAARN CCOC(=O)Cc1nc2cc(Cl)ccc2[nH]1 O=C(O)c1cc([N+](=O)[O-])cc2ccccc12 ZINC000000345519 55/82/99/182558299 JTNZIGOFCKHWDV-UHFFFAOYSA-N -1 217.18 BE 2.446 0 Bother ref BEBARM O=C([O-])c1cc([N+](=O)[O-])cc2ccccc12 Cc1ccc(CNc2ncnc3[nH]cnc23)cc1 ZINC000000385656 68/56/85/342685685 KOGDZGJILJKQJY-UHFFFAOYSA-N 0 239.282 BE 2.273 1 Anodyne mid BEAAMN Cc1ccc(CNc2ncnc3[nH]cnc23)cc1 Cc1ccc(CNc2ncnc3[nH]cnc23)cc1 ZINC000000385656 68/56/83/342685683 KOGDZGJILJKQJY-UHFFFAOYSA-N 0 239.282 BE 2.273 0 Anodyne ref BEAARN Cc1ccc(CNc2ncnc3nc[nH]c23)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 c1ccc2[nH]c(NC[C@H]3CCCO3)nc2c1 ZINC000000513002 87/13/32/383871332 RNSADKGYHJDRMW-SECBINFHSA-N 1 217.272 BE 2.154 1 Anodyne mid BEAAMO c1ccc2[nH+]c(NC[C@H]3CCCO3)[nH]c2c1 c1ccc2[nH]c(NC[C@H]3CCCO3)nc2c1 ZINC000000513002 87/13/17/383871317 RNSADKGYHJDRMW-SECBINFHSA-N 0 217.272 BE 2.154 0 Anodyne ref BEAARN c1ccc2[nH]c(NC[C@H]3CCCO3)nc2c1 c1ccc2[nH]c(NC[C@@H]3CCCO3)nc2c1 ZINC000000513003 87/25/98/383872598 RNSADKGYHJDRMW-VIFPVBQESA-N 1 217.272 BE 2.154 1 Anodyne mid BEAAMO c1ccc2[nH+]c(NC[C@@H]3CCCO3)[nH]c2c1 c1ccc2[nH]c(NC[C@@H]3CCCO3)nc2c1 ZINC000000513003 87/25/94/383872594 RNSADKGYHJDRMW-VIFPVBQESA-N 0 217.272 BE 2.154 0 Anodyne ref BEAARN c1ccc2[nH]c(NC[C@@H]3CCCO3)nc2c1 COc1ccc(NC(C)=O)cc1Br ZINC000000570544 14/83/71/175148371 FOMGGBXHSUSZFZ-UHFFFAOYSA-N 0 244.088 BE 2.416 0 Anodyne ref BEABRN COc1ccc(NC(C)=O)cc1Br Nc1ccc(C(=O)Nc2ccccc2)c(N)c1 ZINC000001233184 69/84/03/342698403 DLHWNBZHYWNPIG-UHFFFAOYSA-N 0 227.267 BE 2.103 0 Anodyne ref BEAARN Nc1ccc(C(=O)Nc2ccccc2)c(N)c1 Cc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1 ZINC000001280913 69/89/69/342698969 PHKZVTQBULWMBB-UHFFFAOYSA-N -1 229.283 BE 2.439 1 Anodyne mid BEAAMM Cc1cc(=O)[n-]c(Nc2cccc(C)c2C)n1 Cc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1 ZINC000001280913 69/89/66/342698966 PHKZVTQBULWMBB-UHFFFAOYSA-N 0 229.283 BE 2.439 0 Anodyne ref BEAARN Cc1cc(=O)[nH]c(Nc2cccc(C)c2C)n1 O=S(=O)(O)c1ccc2ccccc2c1 ZINC000001554037 70/28/58/342702858 KVBGVZZKJNLNJU-UHFFFAOYSA-N -1 208.238 BE 2.087 0 Anodyne ref BEAARM O=S(=O)([O-])c1ccc2ccccc2c1 investigational c1ccc(CN2CCC3(CC2)CO3)cc1 ZINC000001563312 39/63/12/183396312 KJKHFQBTYMJFNP-UHFFFAOYSA-N 1 203.285 BE 2.051 0 Mild ref BEEARO c1ccc(C[NH+]2CCC3(CC2)CO3)cc1 CCOC(=O)/C=C/c1ccccc1OC ZINC000001624851 18/31/30/170183130 ATAFSLBAINHGTN-CMDGGOBGSA-N 0 206.241 BE 2.272 0 Anodyne ref BEAARN CCOC(=O)/C=C/c1ccccc1OC O=C(O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001687085 70/92/85/342709285 TZCCKRXYTBHLMH-SSDOTTSWSA-N -1 221.039 BE 2.111 0 Anodyne ref BEAARM O=C([O-])[C@H](O)c1ccc(Cl)c(Cl)c1 NS(=O)(=O)c1ccc(Cl)c2ccccc12 ZINC000001700243 70/99/67/342709967 YQXWHPSJAYLYED-UHFFFAOYSA-N 0 241.699 BE 2.141 0 Anodyne ref BEAARN NS(=O)(=O)c1ccc(Cl)c2ccccc12 NC(=S)Nc1ccc2ccccc2c1 ZINC000002140950 31/92/79/181319279 JCGVEGFEGJLZDW-UHFFFAOYSA-N 0 202.282 BE 2.495 0 Anodyne ref BEAARN NC(=S)Nc1ccc2ccccc2c1 Cc1cc(C)n(Cc2ccc(N)cc2)n1 ZINC000002505997 96/64/74/383966474 CHUSCRKGELSGLN-UHFFFAOYSA-N 0 201.273 BE 2.13 0 Clean ref BECARN Cc1cc(C)n(Cc2ccc(N)cc2)n1 O=C(O)c1[nH]nc2cc(C(F)(F)F)ccc12 ZINC000002513829 36/05/41/187360541 PUNYEWFCUQQVCA-UHFFFAOYSA-N -1 230.145 BE 2.28 0 Anodyne ref BEAARM O=C([O-])c1n[nH]c2cc(C(F)(F)F)ccc12 CCOC(=O)Cc1n[nH]c2ccc(Cl)cc12 ZINC000002516298 23/59/64/170235964 GLPZEHFBLBYFHN-UHFFFAOYSA-N 0 238.674 BE 2.322 1 Anodyne mid BEAAMN CCOC(=O)Cc1n[nH]c2ccc(Cl)cc12 in-vitro CCOC(=O)Cc1n[nH]c2ccc(Cl)cc12 ZINC000002516298 23/59/63/170235963 GLPZEHFBLBYFHN-UHFFFAOYSA-N 0 238.674 BE 2.322 0 Anodyne ref BEAARN CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12 in-vitro O=C1CCCCN1c1cccc([N+](=O)[O-])c1 ZINC000002524426 31/48/08/132314808 NLPWUBGYXAACRK-UHFFFAOYSA-N 0 220.228 BE 2.112 0 Bother ref BEBARN O=C1CCCCN1c1cccc([N+](=O)[O-])c1 CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)O ZINC000002525859 72/25/10/342722510 FVTWJYOGVFLUNJ-QMMMGPOBSA-N -1 243.303 BE 2.107 0 Anodyne ref BEAARM CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-] in-vitro c1ccc(CNCCCn2ccnc2)cc1 ZINC000002533909 97/12/04/383971204 PUHMXLKXQDOCFC-UHFFFAOYSA-N 2 215.3 BE 2.063 2 Anodyne low BEAALP c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 c1ccc(CNCCCn2ccnc2)cc1 ZINC000002533909 97/11/96/383971196 PUHMXLKXQDOCFC-UHFFFAOYSA-N 1 215.3 BE 2.063 0 Anodyne ref BEAARO c1ccc(C[NH2+]CCCn2ccnc2)cc1 Cc1cc(NN)ccc1Br ZINC000002533965 17/64/89/178176489 NCSVEMZXVDRIRO-UHFFFAOYSA-N 0 201.067 BE 2.043 0 Anodyne ref BEAARN Cc1cc(NN)ccc1Br O=Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000002548211 86/66/15/182866615 YWJKCPJLZJWAGV-UHFFFAOYSA-N 0 219.118 BE 2.426 0 Bother ref BEBARN O=Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 COc1cc(Cl)c(C=O)c(OC)c1 ZINC000002555553 72/37/03/342723703 WNIGZICIZZIUER-UHFFFAOYSA-N 0 200.621 BE 2.17 0 Anodyne ref BEAARN COc1cc(Cl)c(C=O)c(OC)c1 O=C(c1ccc(F)cc1)c1ccc(O)cc1O ZINC000002574368 72/50/73/342725073 ZAPDKBIMAJSFOM-UHFFFAOYSA-N -2 232.21 BE 2.468 3 Anodyne high BEAAHL O=C(c1ccc(F)cc1)c1ccc([O-])cc1[O-] O=C(c1ccc(F)cc1)c1ccc(O)cc1O ZINC000002574368 72/50/72/342725072 ZAPDKBIMAJSFOM-UHFFFAOYSA-N 0 232.21 BE 2.468 1 Anodyne mid BEAAMN O=C(c1ccc(F)cc1)c1ccc(O)cc1O O=C(c1ccc(F)cc1)c1ccc(O)cc1O ZINC000002574368 72/50/71/342725071 ZAPDKBIMAJSFOM-UHFFFAOYSA-N -1 232.21 BE 2.468 0 Anodyne ref BEAARM O=C(c1ccc(F)cc1)c1ccc(O)cc1[O-] CC(C)C[C@@H](C(=O)O)N1Cc2ccccc2C1=O ZINC000002576515 97/79/12/383977912 FBKXGYIYIKDCSB-LBPRGKRZSA-N -1 247.294 BE 2.142 0 Anodyne ref BEAARM CC(C)C[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O CCOC(=O)CCNCc1ccccc1Cl ZINC000003028174 20/92/39/170209239 RNHZZWRYSBGXKW-UHFFFAOYSA-N 0 241.718 BE 2.383 3 Anodyne high BEAAHN CCOC(=O)CCNCc1ccccc1Cl CCOC(=O)CCNCc1ccccc1Cl ZINC000003028174 20/92/38/170209238 RNHZZWRYSBGXKW-UHFFFAOYSA-N 1 241.718 BE 2.383 0 Anodyne ref BEAARO CCOC(=O)CC[NH2+]Cc1ccccc1Cl CCOC(=O)CCNCc1ccc(Cl)cc1 ZINC000003028177 20/91/62/170209162 AOPIPZNDESBQRI-UHFFFAOYSA-N 0 241.718 BE 2.383 3 Anodyne high BEAAHN CCOC(=O)CCNCc1ccc(Cl)cc1 CCOC(=O)CCNCc1ccc(Cl)cc1 ZINC000003028177 20/91/61/170209161 AOPIPZNDESBQRI-UHFFFAOYSA-N 1 241.718 BE 2.383 0 Anodyne ref BEAARO CCOC(=O)CC[NH2+]Cc1ccc(Cl)cc1 CCOC(=O)CCCNCc1ccc(F)cc1 ZINC000003028193 20/27/26/170202726 FXKKSAQDEOCOPN-UHFFFAOYSA-N 0 239.29 BE 2.259 3 Anodyne high BEAAHN CCOC(=O)CCCNCc1ccc(F)cc1 CCOC(=O)CCCNCc1ccc(F)cc1 ZINC000003028193 20/27/25/170202725 FXKKSAQDEOCOPN-UHFFFAOYSA-N 1 239.29 BE 2.259 0 Anodyne ref BEAARO CCOC(=O)CCC[NH2+]Cc1ccc(F)cc1 CC(=O)c1[nH]c2ccccc2c1C(=O)O ZINC000003030524 10/10/75/188101075 SIFWJAMUHPEUPM-UHFFFAOYSA-N -1 203.197 BE 2.069 0 Anodyne ref BEAARM CC(=O)c1[nH]c2ccccc2c1C(=O)[O-] O=Cc1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000003190907 36/87/58/388368758 NSMXSOJJDHNPSX-UHFFFAOYSA-N -1 217.18 BE 2.266 1 Bother mid BEBAMM O=Cc1c([O-])ccc2cc([N+](=O)[O-])ccc12 O=Cc1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000003190907 36/87/53/388368753 NSMXSOJJDHNPSX-UHFFFAOYSA-N 0 217.18 BE 2.266 0 Bother ref BEBARN O=Cc1c(O)ccc2cc([N+](=O)[O-])ccc12 C[C@@H](N)c1ccccc1Br ZINC000003411328 24/62/56/187246256 DSAXBVQQKYZELF-ZCFIWIBFSA-N 1 200.079 BE 2.469 0 Anodyne ref BEAARO C[C@@H]([NH3+])c1ccccc1Br N#Cc1ccc(Br)c(C#N)c1 ZINC000003617607 09/68/80/181096880 WQMGDEDMARMXQE-UHFFFAOYSA-N 0 207.03 BE 2.192 0 Mild ref BEEARN N#Cc1ccc(Br)c(C#N)c1 COc1ccc([C@@H](C)N)cc1Br ZINC000003705503 17/63/89/175176389 ODYLWSUKSYAEEN-ZCFIWIBFSA-N 1 230.105 BE 2.477 0 Anodyne ref BEAARO COc1ccc([C@@H](C)[NH3+])cc1Br NCc1nc(-c2ccccc2F)cs1 ZINC000003710504 02/69/29/384026929 WCVLVPWPAPWQHJ-UHFFFAOYSA-N 0 208.261 BE 2.408 1 Anodyne mid BEAAMN NCc1nc(-c2ccccc2F)cs1 NCc1nc(-c2ccccc2F)cs1 ZINC000003710504 02/69/17/384026917 WCVLVPWPAPWQHJ-UHFFFAOYSA-N 1 208.261 BE 2.408 0 Anodyne ref BEAARO [NH3+]Cc1nc(-c2ccccc2F)cs1 CCOc1ccccc1-c1cc(N)on1 ZINC000003715886 02/58/58/384025858 YVGDGVAGPHKKLP-UHFFFAOYSA-N 0 204.229 BE 2.322 0 Anodyne ref BEAARN CCOc1ccccc1-c1cc(N)on1 Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000003716243 02/54/99/384025499 JYCFJJIHQAFOMS-UHFFFAOYSA-N 0 225.704 BE 2.364 0 Anodyne ref BEAARN Nc1nnc(Cc2cccc(Cl)c2)s1 Cc1ccc(-c2nnc(N)s2)c(C)c1 ZINC000003716272 34/04/79/178340479 LUGKVXLLEIAWIU-UHFFFAOYSA-N 0 205.286 BE 2.404 0 Anodyne ref BEAARN Cc1ccc(-c2nnc(N)s2)c(C)c1 c1cc2c(cc1[C@H]1CCCCN1)OCCO2 ZINC000003734734 37/13/48/183371348 XVAQWRCKBMNNLD-LLVKDONJSA-N 1 219.284 BE 2.272 0 Anodyne ref BEAARO c1cc2c(cc1[C@H]1CCCC[NH2+]1)OCCO2 c1cc2c(cc1[C@@H]1CCCCN1)OCCO2 ZINC000003734735 37/00/16/183370016 XVAQWRCKBMNNLD-NSHDSACASA-N 1 219.284 BE 2.272 0 Anodyne ref BEAARO c1cc2c(cc1[C@@H]1CCCC[NH2+]1)OCCO2 CCOC(=O)c1c(C=O)c2ccccc2n1C ZINC000003913681 28/83/74/170288374 BZNCZFAUVNDYFF-UHFFFAOYSA-N 0 231.251 BE 2.167 0 Anodyne ref BEAARN CCOC(=O)c1c(C=O)c2ccccc2n1C CC(C)CN(CC(C)C)c1nnc(N)s1 ZINC000003913692 73/97/77/342739777 QHTQPSOKQSRHJT-UHFFFAOYSA-N 0 228.365 BE 2.239 0 Anodyne ref BEAARN CC(C)CN(CC(C)C)c1nnc(N)s1 aggregator CCn1c(=S)[nH]c2ccsc2c1=O ZINC000004091683 13/31/95/172133195 QQPGLIIOMJKXPS-UHFFFAOYSA-N 0 212.299 BE 2.14 2 Anodyne low BEAALN CCn1c(=S)[nH]c2ccsc2c1=O CCn1c(=S)[nH]c2ccsc2c1=O ZINC000004091683 13/31/94/172133194 QQPGLIIOMJKXPS-UHFFFAOYSA-N -1 212.299 BE 2.14 0 Anodyne ref BEAARM CCn1c(=S)[n-]c2ccsc2c1=O CCOc1ccc(-c2cc(N)[nH]n2)cc1 ZINC000004243067 74/52/84/342745284 KLCKUJMHTNSQBS-UHFFFAOYSA-N 0 203.245 BE 2.058 0 Anodyne ref BEAARN CCOc1ccc(-c2cc(N)n[nH]2)cc1 O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000004255991 18/50/06/372185006 OMBAIUNBSJSENC-VIFPVBQESA-N 0 240.234 BE 2.325 0 Bother ref BEBARN O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)c(F)c1 O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000004255994 18/48/80/372184880 OMBAIUNBSJSENC-SECBINFHSA-N 0 240.234 BE 2.325 0 Bother ref BEBARN O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c(F)c1 CNCc1ccc(CN2CCCCC2)cc1 ZINC000004271664 92/25/19/397922519 VUAOEKGFLXNSAA-UHFFFAOYSA-N 2 218.344 BE 2.392 0 Anodyne ref BEAARP C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1 ZINC000004313163 35/32/46/182353246 PUINEBBHYSHKBF-JTQLQIEISA-N 1 224.691 BE 2.03 0 Anodyne ref BEAARO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 CCn1c(C(=O)O)c(C=O)c2ccccc21 ZINC000004636238 13/34/49/172133449 YMYGLYURHOIYKG-UHFFFAOYSA-N -1 217.224 BE 2.172 0 Anodyne ref BEAARM CCn1c(C(=O)[O-])c(C=O)c2ccccc21 NCCCOc1c(F)c(F)c(F)c(F)c1F ZINC000004779419 38/49/04/181384904 SNRYOKUMUFGXPS-UHFFFAOYSA-N 1 241.159 BE 2.11 0 Anodyne ref BEAARO [NH3+]CCCOc1c(F)c(F)c(F)c(F)c1F CC[C@@H](C)NCc1ccc2c(c1)OCO2 ZINC000004897328 75/40/65/342754065 VWVHDPORHNWWNM-SECBINFHSA-N 1 207.273 BE 2.303 0 Anodyne ref BEAARO CC[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 CC[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000004897338 34/30/08/171343008 VWVHDPORHNWWNM-VIFPVBQESA-N 1 207.273 BE 2.303 0 Anodyne ref BEAARO CC[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 CCc1n[nH]c(=O)c2cc3sc(C)cc3n12 ZINC000004955300 75/49/59/342754959 CNDXYNGYPDEVRV-UHFFFAOYSA-N 0 233.296 BE 2.108 0 Anodyne ref BEAARN CCc1n[nH]c(=O)c2cc3sc(C)cc3n12 N[C@H](CCC(=O)O)C12CC3CC(CC(C3)C1)C2 ZINC000004958051 75/49/87/342754987 DDXURTFOYAJBFN-KIPDHUPVSA-N 0 237.343 BE 2.395 0 Anodyne ref BEAARN [NH3+][C@H](CCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 N[C@@H](CCC(=O)O)C12CC3CC(CC(C3)C1)C2 ZINC000004958052 75/50/03/342755003 DDXURTFOYAJBFN-UYIBLKNYSA-N 0 237.343 BE 2.395 0 Anodyne ref BEAARN [NH3+][C@@H](CCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 CC[C@@H](C)[C@@H](C(=O)O)N1Cc2ccccc2C1=O ZINC000004992098 76/74/25/170767425 SDNDNHOVHJTJPB-SKDRFNHKSA-N -1 247.294 BE 2.142 0 Anodyne ref BEAARM CC[C@@H](C)[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O CC(C)(C)OC(=O)CCNCc1ccco1 ZINC000005066395 75/73/63/342757363 IZYSWPLSOOALIN-UHFFFAOYSA-N 0 225.288 BE 2.101 1 Anodyne mid BEAAMN CC(C)(C)OC(=O)CCNCc1ccco1 CC(C)(C)OC(=O)CCNCc1ccco1 ZINC000005066395 75/73/61/342757361 IZYSWPLSOOALIN-UHFFFAOYSA-N 1 225.288 BE 2.101 0 Anodyne ref BEAARO CC(C)(C)OC(=O)CC[NH2+]Cc1ccco1 CCCCNCCC(=O)OC(C)(C)C ZINC000005066415 50/65/84/386506584 NIYLFPXKKQMEIR-UHFFFAOYSA-N 1 201.31 BE 2.108 0 Anodyne ref BEAARO CCCC[NH2+]CCC(=O)OC(C)(C)C CC(C)(C)OC(=O)CCNC1CCCC1 ZINC000005066425 50/73/38/386507338 FBUMKBOYVOHBEQ-UHFFFAOYSA-N 1 213.321 BE 2.25 0 Anodyne ref BEAARO CC(C)(C)OC(=O)CC[NH2+]C1CCCC1 CC(C)(C)n1nc(N)c2cc([N+](=O)[O-])ccc21 ZINC000005179978 78/62/77/345786277 WCRMRQYUTQBZMM-UHFFFAOYSA-N 0 234.259 BE 2.282 0 Bother ref BEBARN CC(C)(C)n1nc(N)c2cc([N+](=O)[O-])ccc21 O=C(Nc1ccccn1)c1ccc(O)cc1 ZINC000005338753 38/28/77/182382877 FHMHJVCJGXMNLY-UHFFFAOYSA-N -1 214.224 BE 2.039 3 Anodyne high BEAAHM O=C(Nc1ccccn1)c1ccc([O-])cc1 O=C(Nc1ccccn1)c1ccc(O)cc1 ZINC000005338753 38/28/76/182382876 FHMHJVCJGXMNLY-UHFFFAOYSA-N 0 214.224 BE 2.039 0 Anodyne ref BEAARN O=C(Nc1ccccn1)c1ccc(O)cc1 N#Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005394751 31/75/96/132317596 NVYLIFFJNJWOSE-UHFFFAOYSA-N 0 231.255 BE 2.457 0 Mild ref BEEARN N#Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 C[C@@H]1CCCN(c2ncccc2C(=O)O)C1 ZINC000005720808 31/81/46/132318146 NUYISFMPEWGRBC-SECBINFHSA-N 0 220.272 BE 2.016 2 Anodyne low BEAALN C[C@@H]1CCCN(c2[nH+]cccc2C(=O)[O-])C1 C[C@@H]1CCCN(c2ncccc2C(=O)O)C1 ZINC000005720808 31/81/45/132318145 NUYISFMPEWGRBC-SECBINFHSA-N -1 220.272 BE 2.016 0 Anodyne ref BEAARM C[C@@H]1CCCN(c2ncccc2C(=O)[O-])C1