CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 ZINC000000001652 28/85/49/170288549 YTBNTDMBGXAOCG-UHFFFAOYSA-N 0 233.267 BE 2.369 0 Anodyne ref BEAARN CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 in-man COc1ccc(Cl)cc1C(=O)NC(C)C ZINC000000030533 11/94/98/175119498 XNRMIULTBWTSOE-UHFFFAOYSA-N 0 227.691 BE 2.487 0 Anodyne ref BEAARN COc1ccc(Cl)cc1C(=O)NC(C)C O=C(O)/C=C/C(=O)c1ccc(Cl)cc1 ZINC000000033172 27/27/49/188272749 VQVQEUFKSRHRCT-AATRIKPKSA-N -1 210.616 BE 2.163 0 Mild ref BEEARM O=C([O-])/C=C/C(=O)c1ccc(Cl)cc1 in-vitro biogenic CCOc1cc(C=O)ccc1OC(=O)C(C)C ZINC000000035111 49/96/41/346499641 BTCQMCOBMIXUCG-UHFFFAOYSA-N 0 236.267 BE 2.459 0 Anodyne ref BEAARN CCOc1cc(C=O)ccc1OC(=O)C(C)C in-man endogenous CCOC(=O)c1c(N)sc2c1CCCC2 ZINC000000035815 28/90/41/170289041 CDYVTVLXEWMCHU-UHFFFAOYSA-N 0 225.313 BE 2.386 0 Anodyne ref BEAARN CCOC(=O)c1c(N)sc2c1CCCC2 COc1ccc2oc(C)c(C(=O)O)c2c1 ZINC000000036691 23/14/03/175231403 RSHSSGDUMLTSEG-UHFFFAOYSA-N -1 206.197 BE 2.448 0 Anodyne ref BEAARM COc1ccc2oc(C)c(C(=O)[O-])c2c1 CC1(C)N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 ZINC000000037838 81/91/37/383819137 CWGHZIOJFVTEPN-LLVKDONJSA-N 0 244.294 BE 2.002 0 Anodyne ref BEAARN CC1(C)[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21 O=C(O)COc1cccc2ccccc12 ZINC000000038389 52/83/89/384528389 GHRYSOFWKRRLMI-UHFFFAOYSA-N -1 202.209 BE 2.303 0 Anodyne ref BEAARM O=C([O-])COc1cccc2ccccc12 in-vivo Cc1cc(OCC(=O)O)ccc1Cl ZINC000000038647 20/98/28/178209828 FBGYNJKXMKWETB-UHFFFAOYSA-N -1 200.621 BE 2.112 0 Anodyne ref BEAARM Cc1cc(OCC(=O)[O-])ccc1Cl CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000040374 35/23/54/369352354 PMJUHOMXJHGRKV-UHFFFAOYSA-N 0 220.297 BE 2.457 0 Mild ref BEEARN CC(=O)Nc1sc2c(c1C#N)CCCC2 Cc1cc(C)c2c(N)c(C#N)sc2n1 ZINC000000050373 70/86/57/591708657 JFSSJJOGTVVJJC-UHFFFAOYSA-N 0 203.27 BE 2.367 0 Mild ref BEEARN Cc1cc(C)c2c(N)c(C#N)sc2n1 CCOC(=O)c1ccc2nc(N)sc2c1 ZINC000000050705 29/83/50/170298350 VYJSGJXWKSDUSG-UHFFFAOYSA-N 0 222.269 BE 2.055 0 Anodyne ref BEAARN CCOC(=O)c1ccc2nc(N)sc2c1 in-vitro S=C(c1ccc(Cl)cc1)N1CCOCC1 ZINC000000050736 31/26/56/183312656 QQAQCKDPIMFFLI-UHFFFAOYSA-N 0 241.743 BE 2.348 0 Anodyne ref BEAARN S=C(c1ccc(Cl)cc1)N1CCOCC1 COC(=O)c1nc2ccc(OC)cc2s1 ZINC000000051698 67/15/09/342671509 VZOPRRYQDHCORU-UHFFFAOYSA-N 0 223.253 BE 2.091 0 Anodyne ref BEAARN COC(=O)c1nc2ccc(OC)cc2s1 C=C1OC(=O)OC12CC(C)(C)NC(C)(C)C2 ZINC000000053017 89/04/55/355890455 PLGIHJGZMPBQPC-UHFFFAOYSA-N 1 225.288 BE 2.346 0 Mild ref BEEARO C=C1OC(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 Cc1cc(OCC(=O)O)ccc1Br ZINC000000054738 20/91/97/178209197 XBWSIQZJWUSHEH-UHFFFAOYSA-N -1 245.072 BE 2.221 0 Anodyne ref BEAARM Cc1cc(OCC(=O)[O-])ccc1Br COc1cc(Br)c(C=O)cc1OC ZINC000000056468 82/16/27/383821627 UQQROBHFUDBOOK-UHFFFAOYSA-N 0 245.072 BE 2.279 0 Anodyne ref BEAARN COc1cc(Br)c(C=O)cc1OC O=C(O)c1cc([N+](=O)[O-])ccc1Br ZINC000000056845 09/75/90/344097590 UVFWYVCDRKRAJH-UHFFFAOYSA-N -1 246.016 BE 2.056 0 Bother ref BEBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Br Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000000057901 67/21/74/342672174 JTXAGHXRIBLWES-UHFFFAOYSA-N 0 210.616 BE 2.46 2 Anodyne low BEAALN Cc1cc(=O)oc2cc(O)c(Cl)cc12 in-vitro Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000000057901 67/21/73/342672173 JTXAGHXRIBLWES-UHFFFAOYSA-N -1 210.616 BE 2.46 0 Anodyne ref BEAARM Cc1cc(=O)oc2cc([O-])c(Cl)cc12 in-vitro Cc1c(Cl)c(=O)oc2cc(O)ccc12 ZINC000000057914 24/39/37/187243937 ODZHLDRQCZXQFQ-UHFFFAOYSA-N -1 210.616 BE 2.46 1 Anodyne mid BEAAMM Cc1c(Cl)c(=O)oc2cc([O-])ccc12 in-vitro Cc1c(Cl)c(=O)oc2cc(O)ccc12 ZINC000000057914 24/39/35/187243935 ODZHLDRQCZXQFQ-UHFFFAOYSA-N -1 210.616 BE 2.46 0 Anodyne ref BEAARM Cc1c(Cl)c(=O)oc2cc(O)ccc12 in-vitro O=Cc1coc2ccc(Cl)cc2c1=O ZINC000000057931 82/19/76/383821976 LIGLNCRTMDRUAO-UHFFFAOYSA-N 0 208.6 BE 2.259 0 Anodyne ref BEAARN O=Cc1coc2ccc(Cl)cc2c1=O O=c1ccc(-c2ccc(Cl)cc2)n[nH]1 ZINC000000058238 99/82/14/182998214 HALBJPGFCUGLFM-UHFFFAOYSA-N 0 206.632 BE 2.09 0 Anodyne ref BEAARN O=c1ccc(-c2ccc(Cl)cc2)n[nH]1 O=C(Cc1ccccc1)c1c(O)cc(O)cc1O ZINC000000058292 04/44/81/182044481 SLHBRIIHMDJIBT-UHFFFAOYSA-N -1 244.246 BE 2.229 3 Anodyne high BEAAHM O=C(Cc1ccccc1)c1c(O)cc([O-])cc1O O=C(Cc1ccccc1)c1c(O)cc(O)cc1O ZINC000000058292 04/44/79/182044479 SLHBRIIHMDJIBT-UHFFFAOYSA-N 0 244.246 BE 2.229 0 Anodyne ref BEAARN O=C(Cc1ccccc1)c1c(O)cc(O)cc1O Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=O ZINC000000058616 09/75/63/344097563 IKBFYOQMSYXGBI-UHFFFAOYSA-N 0 204.185 BE 2.197 0 Bother ref BEBARN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=O O=C1c2ccccc2C(=O)N1Nc1ccccc1 ZINC000000064621 82/20/73/383822073 SRSOPFHQIAZPOL-UHFFFAOYSA-N 0 238.246 BE 2.31 0 Anodyne ref BEAARN O=C1c2ccccc2C(=O)N1Nc1ccccc1 Cc1cc(C(=O)O)c2cc(F)ccc2n1 ZINC000000064901 82/16/62/383821662 KXMSETXWKPJCQS-UHFFFAOYSA-N -1 205.188 BE 2.381 0 Anodyne ref BEAARM Cc1cc(C(=O)[O-])c2cc(F)ccc2n1 Cc1nc2ccc(F)cc2cc1C(=O)O ZINC000000064903 09/23/37/180092337 ZPRUQEILFHQVHS-UHFFFAOYSA-N -1 205.188 BE 2.381 0 Anodyne ref BEAARM Cc1nc2ccc(F)cc2cc1C(=O)[O-] OCc1nc(-c2ccccc2)n2ccccc12 ZINC000000064915 17/02/12/183170212 YRUVSOKXGXGSBM-UHFFFAOYSA-N 1 224.263 BE 2.494 2 Anodyne low BEAALO OCc1[nH+]c(-c2ccccc2)n2ccccc12 OCc1nc(-c2ccccc2)n2ccccc12 ZINC000000064915 17/02/11/183170211 YRUVSOKXGXGSBM-UHFFFAOYSA-N 0 224.263 BE 2.494 0 Anodyne ref BEAARN OCc1nc(-c2ccccc2)n2ccccc12 O=C(O)c1nc2ccccc2c2ncccc12 ZINC000000065142 82/14/25/383821425 CZTCXHGJESMLCB-UHFFFAOYSA-N -1 224.219 BE 2.481 0 Bother ref BEBARM O=C([O-])c1nc2ccccc2c2ncccc12 Cc1nn(-c2ccccc2)c(C)c1C=O ZINC000000065247 32/86/19/180328619 VOMRTQQGXWPTJK-UHFFFAOYSA-N 0 200.241 BE 2.302 0 Anodyne ref BEAARN Cc1nn(-c2ccccc2)c(C)c1C=O Cc1cc(C)c(C#N)c(Br)n1 ZINC000000065254 82/19/56/383821956 BBLLODYBGYVNTH-UHFFFAOYSA-N 0 211.062 BE 2.333 0 Mild ref BEEARN Cc1cc(C)c(C#N)c(Br)n1 CNC(=S)Nc1ccc(Cl)cc1 ZINC000000075394 31/69/39/173316939 UKOJOHPYEVWPNN-UHFFFAOYSA-N 0 200.694 BE 2.256 0 Anodyne ref BEAARN CNC(=S)Nc1ccc(Cl)cc1 Nc1ncnc2sc3c(c12)CCCC3 ZINC000000078174 81/08/70/181810870 QXPQVUQBEBHHQP-UHFFFAOYSA-N 0 205.286 BE 2.152 0 Anodyne ref BEAARN Nc1ncnc2sc3c(c12)CCCC3 Cc1cc(I)ccc1N ZINC000000080446 09/87/98/188098798 BGKLFAQCHHCZRZ-UHFFFAOYSA-N 0 233.052 BE 2.182 0 Anodyne ref BEAARN Cc1cc(I)ccc1N Cc1cc(OCC(=O)O)cc(C)c1Cl ZINC000000080503 21/03/33/178210333 IJOSXVVFEKXIGN-UHFFFAOYSA-N -1 214.648 BE 2.42 0 Anodyne ref BEAARM Cc1cc(OCC(=O)[O-])cc(C)c1Cl in-vitro Cc1cc(=O)oc2c1C(=O)CC(C)(C)C2 ZINC000000085202 72/14/28/177721428 HJUGCIXWIAMGBH-UHFFFAOYSA-N 0 206.241 BE 2.103 0 Anodyne ref BEAARN Cc1cc(=O)oc2c1C(=O)CC(C)(C)C2 CCOc1cc(C=O)ccc1OC(=O)CC ZINC000000088486 67/36/91/342673691 MYFUIYHUKGKRTC-UHFFFAOYSA-N 0 222.24 BE 2.213 0 Anodyne ref BEAARN CCOc1cc(C=O)ccc1OC(=O)CC O=C(O)c1sccc1Br ZINC000000107789 67/45/78/342674578 VQQLWBUTTMNMFT-UHFFFAOYSA-N -1 207.048 BE 2.209 0 Anodyne ref BEAARM O=C([O-])c1sccc1Br COC(=O)c1sccc1Br ZINC000000108545 92/30/16/173923016 PEGSJNCGPSIJOX-UHFFFAOYSA-N 0 221.075 BE 2.297 0 Anodyne ref BEAARN COC(=O)c1sccc1Br O=C(O)[C@H](Cc1ccccc1)n1cccc1 ZINC000000112459 67/50/45/342675045 SSUGRWDGXQIOME-LBPRGKRZSA-N -1 215.252 BE 2.357 0 Anodyne ref BEAARM O=C([O-])[C@H](Cc1ccccc1)n1cccc1 in-vitro biogenic O=C(O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000000112462 67/51/37/342675137 SSUGRWDGXQIOME-GFCCVEGCSA-N -1 215.252 BE 2.357 0 Anodyne ref BEAARM O=C([O-])[C@@H](Cc1ccccc1)n1cccc1 in-vitro biogenic CCOC(=O)c1sc(SC)c(C#N)c1N ZINC000000125477 31/07/11/170310711 BMYKQPLSSCCDQS-UHFFFAOYSA-N 0 242.325 BE 2.101 0 Mild ref BEEARN CCOC(=O)c1sc(SC)c(C#N)c1N Cc1c(Cc2ccccc2)sc(N)c1C(N)=O ZINC000000125483 40/77/70/187407770 SVRNCQRVCHVFGG-UHFFFAOYSA-N 0 246.335 BE 2.328 0 Anodyne ref BEAARN Cc1c(Cc2ccccc2)sc(N)c1C(N)=O aggregator CCOC(=O)c1cc(C)nn1-c1ccccc1 ZINC000000127564 29/12/50/170291250 XAKCPDKGPSNLDD-UHFFFAOYSA-N 0 230.267 BE 2.357 0 Anodyne ref BEAARN CCOC(=O)c1cc(C)nn1-c1ccccc1 CCOC(=O)c1nc2ccccc2s1 ZINC000000128851 30/78/32/170307832 VLQLCEXNNGQELL-UHFFFAOYSA-N 0 207.254 BE 2.473 0 Anodyne ref BEAARN CCOC(=O)c1nc2ccccc2s1 CSc1nc(-c2ccccc2)nc(O)c1C#N ZINC000000132073 36/12/95/369361295 OUSBLYHTCSUCNF-UHFFFAOYSA-N 0 243.291 BE 2.443 1 Mild mid BEEAMN CSc1nc(-c2ccccc2)[nH]c(=O)c1C#N CSc1nc(-c2ccccc2)nc(O)c1C#N ZINC000000132073 36/12/91/369361291 OUSBLYHTCSUCNF-UHFFFAOYSA-N -1 243.291 BE 2.443 0 Mild ref BEEARM CSc1nc(-c2ccccc2)[n-]c(=O)c1C#N O=C(O)c1cccc2cccc(C(=O)O)c12 ZINC000000134881 67/63/92/342676392 HRRDCWDFRIJIQZ-UHFFFAOYSA-N -2 216.192 BE 2.236 0 Anodyne ref BEAARL O=C([O-])c1cccc2cccc(C(=O)[O-])c12 O=C(c1ccccc1)c1cccnc1C(=O)O ZINC000000135598 67/81/11/182678111 YERHKEWRHQIXFY-UHFFFAOYSA-N -1 227.219 BE 2.011 0 Anodyne ref BEAARM O=C(c1ccccc1)c1cccnc1C(=O)[O-] Cc1nn(-c2ccccc2)c(C)c1C(=O)O ZINC000000140432 32/95/45/180329545 LPYTYYLNGJGJGW-UHFFFAOYSA-N -1 216.24 BE 2.187 0 Anodyne ref BEAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)[O-] Cc1ccc(OCC(=O)O)c(Br)c1 ZINC000000143585 67/69/86/342676986 SIAQBSDQFZWINQ-UHFFFAOYSA-N -1 245.072 BE 2.221 0 Anodyne ref BEAARM Cc1ccc(OCC(=O)[O-])c(Br)c1 COc1ccc(Br)cc1C=O ZINC000000149192 05/14/88/175051488 IJIBRSFAXRFPPN-UHFFFAOYSA-N 0 215.046 BE 2.27 0 Anodyne ref BEAARN COc1ccc(Br)cc1C=O CC(=O)Nc1ccc(Br)cc1 ZINC000000149704 83/34/01/383833401 MSLICLMCQYQNPK-UHFFFAOYSA-N 0 214.062 BE 2.407 0 Anodyne ref BEAARN CC(=O)Nc1ccc(Br)cc1 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 CS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000000153772 83/62/68/383836268 CTBGNTCBLZAIRI-UHFFFAOYSA-N -1 241.095 BE 2.103 0 Anodyne ref BEAARM CS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 Cn1ccnc1S[C@H](C(=O)O)c1ccccc1 ZINC000000154849 67/76/38/342677638 OCAVFHDYHRSBOH-JTQLQIEISA-N -1 248.307 BE 2.338 0 Anodyne ref BEAARM Cn1ccnc1S[C@H](C(=O)[O-])c1ccccc1 Cn1ccnc1S[C@@H](C(=O)O)c1ccccc1 ZINC000000154851 67/77/68/342677768 OCAVFHDYHRSBOH-SNVBAGLBSA-N -1 248.307 BE 2.338 0 Anodyne ref BEAARM Cn1ccnc1S[C@@H](C(=O)[O-])c1ccccc1 C[C@H](Oc1ccc(Cl)cc1)C(=O)O ZINC000000155443 02/23/03/177022303 DKHJWWRYTONYHB-LURJTMIESA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)[O-] in-vitro C[C@@H](Oc1ccc(Cl)cc1)C(=O)O ZINC000000155444 00/38/95/176003895 DKHJWWRYTONYHB-ZCFIWIBFSA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@@H](Oc1ccc(Cl)cc1)C(=O)[O-] in-vitro Cc1ccc(C(=O)CCC(=O)O)c(C)c1 ZINC000000155626 83/54/72/383835472 JYLUOTCHTVZCDL-UHFFFAOYSA-N -1 206.241 BE 2.351 0 Anodyne ref BEAARM Cc1ccc(C(=O)CCC(=O)[O-])c(C)c1 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 COc1ccc(C(=O)O)cc1Br ZINC000000156527 06/42/97/175064297 BBPZABXVRBFWGD-UHFFFAOYSA-N -1 231.045 BE 2.156 0 Anodyne ref BEAARM COc1ccc(C(=O)[O-])cc1Br CCOc1ccc(C(=O)O)cc1OCC ZINC000000156673 72/51/57/517725157 VVKCVAPLTRZJHH-UHFFFAOYSA-N -1 210.229 BE 2.182 0 Anodyne ref BEAARM CCOc1ccc(C(=O)[O-])cc1OCC Nc1cccc(C(=O)c2cccc(N)c2)c1 ZINC000000156685 67/81/59/342678159 TUQQUUXMCKXGDI-UHFFFAOYSA-N 0 212.252 BE 2.082 0 Anodyne ref BEAARN Nc1cccc(C(=O)c2cccc(N)c2)c1 CC(C)(C)c1ccc(OCC(=O)O)cc1 ZINC000000157210 83/61/16/383836116 FBIGAJNVRFKBJL-UHFFFAOYSA-N -1 208.257 BE 2.447 0 Anodyne ref BEAARM CC(C)(C)c1ccc(OCC(=O)[O-])cc1 Cc1onc(-c2ccccc2)c1C(=O)O ZINC000000158490 55/23/31/180552331 PENHKTNQUJMHIR-UHFFFAOYSA-N -1 203.197 BE 2.348 0 Anodyne ref BEAARM Cc1onc(-c2ccccc2)c1C(=O)[O-] in-vitro 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 Nc1c(F)cc(Br)cc1F ZINC000000159313 67/78/86/342677886 BFQSQUAVMNHOEF-UHFFFAOYSA-N 0 208.005 BE 2.309 0 Anodyne ref BEAARN Nc1c(F)cc(Br)cc1F COc1ccc(Br)c(C(=O)O)c1 ZINC000000164386 83/97/49/383839749 ODHJOROUCITYNF-UHFFFAOYSA-N -1 231.045 BE 2.156 0 Anodyne ref BEAARM COc1ccc(Br)c(C(=O)[O-])c1 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 O=C(O)c1ccccc1Br ZINC000000164706 67/86/95/342678695 XRXMNWGCKISMOH-UHFFFAOYSA-N -1 201.019 BE 2.147 0 Anodyne ref BEAARM O=C([O-])c1ccccc1Br in-vitro CC(=O)Nc1ccccc1Br ZINC000000173186 67/91/16/342679116 VOBKUOHHOWQHFZ-UHFFFAOYSA-N 0 214.062 BE 2.408 0 Anodyne ref BEAARN CC(=O)Nc1ccccc1Br Cn1c(=O)n(C)c2cccc3cccc1c32 ZINC000000186913 67/94/40/342679440 WZWDLGNDEHWENW-UHFFFAOYSA-N 0 212.252 BE 2.03 0 Anodyne ref BEAARN Cn1c(=O)n(C)c2cccc3cccc1c32 CCOC(=O)c1cc(CC)sc1NC(C)=O ZINC000000188289 29/14/92/170291492 JDYPHTNMKBGGLI-UHFFFAOYSA-N 0 241.312 BE 2.446 0 Anodyne ref BEAARN CCOC(=O)c1cc(CC)sc1NC(C)=O O=S1(=O)C=C(Br)c2ccccc21 ZINC000000196687 90/60/33/182906033 BWCBGYFBSVPRLL-UHFFFAOYSA-N 0 245.097 BE 2.167 0 Anodyne ref BEAARN O=S1(=O)C=C(Br)c2ccccc21 CCOC(=O)c1[nH]c2ccccc2c1C=O ZINC000000215825 28/63/30/170286330 UHTMDXSOGQARCU-UHFFFAOYSA-N -1 217.224 BE 2.157 3 Anodyne high BEAAHM CCOC(=O)c1[n-]c2ccccc2c1C=O CCOC(=O)c1[nH]c2ccccc2c1C=O ZINC000000215825 28/63/29/170286329 UHTMDXSOGQARCU-UHFFFAOYSA-N 0 217.224 BE 2.157 0 Anodyne ref BEAARN CCOC(=O)c1[nH]c2ccccc2c1C=O O=Cc1ccc(OCc2ccccn2)cc1 ZINC000000226821 86/85/71/182868571 MKHNUKSZFMWQJL-UHFFFAOYSA-N 0 213.236 BE 2.473 0 Anodyne ref BEAARN O=Cc1ccc(OCc2ccccn2)cc1 O=C(O)c1ccc(N2CCCCC2)cc1 ZINC000000239446 31/32/23/132313223 DGJNUESQBVPXAY-UHFFFAOYSA-N -1 205.257 BE 2.375 0 Anodyne ref BEAARM O=C([O-])c1ccc(N2CCCCC2)cc1 O=CN[C@H]1CCCc2c1[nH]c1ccc(F)cc21 ZINC000000253136 85/42/00/182854200 SXNGBUUSKYLCEZ-LBPRGKRZSA-N 0 232.258 BE 2.43 0 Anodyne ref BEAARN O=CN[C@H]1CCCc2c1[nH]c1ccc(F)cc21 O=CN[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 ZINC000000253145 84/81/78/383848178 SXNGBUUSKYLCEZ-GFCCVEGCSA-N 0 232.258 BE 2.43 0 Anodyne ref BEAARN O=CN[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 C[C@@H](C(=O)O)n1cc(C=O)c2ccccc21 ZINC000000254483 68/14/49/342681449 ZINMANYXDFLPES-QMMMGPOBSA-N -1 217.224 BE 2.099 0 Anodyne ref BEAARM C[C@@H](C(=O)[O-])n1cc(C=O)c2ccccc21 C[C@H](C(=O)O)n1cc(C=O)c2ccccc21 ZINC000000254486 68/13/99/342681399 ZINMANYXDFLPES-MRVPVSSYSA-N -1 217.224 BE 2.099 0 Anodyne ref BEAARM C[C@H](C(=O)[O-])n1cc(C=O)c2ccccc21 COC(=O)CCc1c[nH]c2ccccc12 ZINC000000260126 56/68/34/173566834 BAYIDMGOQRXHBC-UHFFFAOYSA-N 0 203.241 BE 2.274 0 Anodyne ref BEAARN COC(=O)CCc1c[nH]c2ccccc12 CC(=O)OCc1cc(C)cc(C=O)c1C ZINC000000272960 85/02/66/383850266 LCCIIMBWGVNVGG-UHFFFAOYSA-N 0 206.241 BE 2.179 0 Anodyne ref BEAARN CC(=O)OCc1cc(C)cc(C=O)c1C CCOC(=O)Cn1c(C)c(C=O)c2ccccc21 ZINC000000306183 23/66/71/170236671 JKLASVCYZWSRKV-UHFFFAOYSA-N 0 245.278 BE 2.325 0 Anodyne ref BEAARN CCOC(=O)Cn1c(C)c(C=O)c2ccccc21 CCOC(=O)Cn1cc(C=O)c2ccccc21 ZINC000000309060 23/78/81/170237881 YBKKLZGZHIBOBZ-UHFFFAOYSA-N 0 231.251 BE 2.017 0 Anodyne ref BEAARN CCOC(=O)Cn1cc(C=O)c2ccccc21 O=Cc1ccccc1S(=O)(=O)c1ccccc1 ZINC000000312559 87/27/18/182872718 CWKMIEALBOKDCD-UHFFFAOYSA-N 0 246.287 BE 2.332 0 Anodyne ref BEAARN O=Cc1ccccc1S(=O)(=O)c1ccccc1 O=Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000000319744 04/14/31/384041431 SAFSVELFSYQXOV-UHFFFAOYSA-N 0 230.017 BE 2.17 0 Bother ref BEBARN O=Cc1ccc(Br)c([N+](=O)[O-])c1 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 CCOC(=O)c1cc(C=O)c(SC)s1 ZINC000000330065 29/13/94/170291394 XNXORZISRPTOKJ-UHFFFAOYSA-N 0 230.31 BE 2.459 0 Anodyne ref BEAARN CCOC(=O)c1cc(C=O)c(SC)s1 COC(=O)C#Cc1ccc2ccccc2c1 ZINC000000330282 60/59/71/386605971 RSDUVDKHUSYMJW-UHFFFAOYSA-N 0 210.232 BE 2.364 0 Mild ref BEEARN COC(=O)C#Cc1ccc2ccccc2c1 CCOc1ccc([N+](=O)[O-])c(Br)n1 ZINC000000330974 56/59/10/170565910 GEWJSKHRBYGHTR-UHFFFAOYSA-N 0 247.048 BE 2.151 0 Bother ref BEBARN CCOc1ccc([N+](=O)[O-])c(Br)n1 CCOc1ccc(Br)cn1 ZINC000000331001 68/35/72/342683572 WQXZKMUZWPUZGL-UHFFFAOYSA-N 0 202.051 BE 2.243 0 Anodyne ref BEAARN CCOc1ccc(Br)cn1 Brc1cncc2cccnc12 ZINC000000331055 10/68/47/166106847 PQBNZTONCGWKCZ-UHFFFAOYSA-N 0 209.046 BE 2.392 0 Anodyne ref BEAARN Brc1cncc2cccnc12