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 COc1cc(OC)c(C=O)cc1Br ZINC000000028461 00/70/43/175007043 PXDIELLGFUEAIX-UHFFFAOYSA-N 0 245.072 BE 2.279 0 Anodyne ref BEAARN COc1cc(OC)c(C=O)cc1Br CC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000000029798 91/39/51/397913951 PYYFWHKFMKTHDQ-UHFFFAOYSA-N 0 205.257 BE 2.484 0 Anodyne ref BEAARN CC(=O)c1ccc(NC(=O)C(C)C)cc1 O=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000000033994 87/30/14/182873014 HAWFRXCIWBFGHH-UHFFFAOYSA-N 0 216.196 BE 2.198 0 Bother ref BEBARN O=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 CCOC(=O)c1c(C)[nH]c2ccc(O)cc12 ZINC000000034675 28/78/23/170287823 BSNHKSUAAMJXBB-UHFFFAOYSA-N 0 219.24 BE 2.359 0 Anodyne ref BEAARN CCOC(=O)c1c(C)[nH]c2ccc(O)cc12 O=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000000035747 81/88/94/383818894 LBIJVLPGGBXNPM-UHFFFAOYSA-N -1 216.192 BE 2.457 0 Anodyne ref BEAARM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 O=Cc1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000000035748 81/89/41/383818941 WOAXPFPTVKBPAC-UHFFFAOYSA-N -1 216.192 BE 2.457 0 Anodyne ref BEAARM O=Cc1ccc(-c2cccc(C(=O)[O-])c2)o1 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 CC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000035819 81/89/45/383818945 IILMTVMHMUEWFW-UHFFFAOYSA-N 0 231.173 BE 2.39 0 Anodyne ref BEAARN CC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000000035827 67/06/52/342670652 DQRKUAPJKJGTMA-UHFFFAOYSA-N 0 207.664 BE 2.167 0 Anodyne ref BEAARN Nc1ccn(Cc2ccc(Cl)cc2)n1 CCOc1cc(C=O)ccc1OC(=O)C1CC1 ZINC000000035829 67/06/50/342670650 CYABNFVKGZBCEW-UHFFFAOYSA-N 0 234.251 BE 2.213 0 Anodyne ref BEAARN CCOc1cc(C=O)ccc1OC(=O)C1CC1 CC(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000000035855 81/95/45/383819545 QJIHIZOVLAWHFM-UHFFFAOYSA-N 0 231.173 BE 2.39 0 Anodyne ref BEAARN CC(=O)c1cccc(NC(=O)C(F)(F)F)c1 CCOC(=O)c1c(N)sc(C)c1CC ZINC000000035858 28/89/25/170288925 ZLQVIZSBIABXJQ-UHFFFAOYSA-N 0 213.302 BE 2.378 0 Anodyne ref BEAARN CCOC(=O)c1c(N)sc(C)c1CC CC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000000035859 82/00/37/383820037 LORAACNFGHERHZ-UHFFFAOYSA-N 0 203.241 BE 2.238 0 Anodyne ref BEAARN CC(=O)c1cccc(NC(=O)C2CC2)c1 COc1ccc(OC)c(-c2csc(N)n2)c1 ZINC000000038022 16/36/58/175163658 FXGVKHSZIMCUTR-UHFFFAOYSA-N 0 236.296 BE 2.409 0 Anodyne ref BEAARN COc1ccc(OC)c(-c2csc(N)n2)c1 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 Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000039796 67/09/53/342670953 RIKJWJIWXCUKQV-UHFFFAOYSA-N 0 221.241 BE 2.301 0 Bother ref BEBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 O=Cc1ccc(OC(=O)c2ccco2)cc1 ZINC000000040517 81/96/79/383819679 ALUHEYPQVPMFBV-UHFFFAOYSA-N 0 216.192 BE 2.311 0 Anodyne ref BEAARN O=Cc1ccc(OC(=O)c2ccco2)cc1 CCCc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000040645 67/11/01/342671101 HDPADVKOPBBPJW-UHFFFAOYSA-N -2 220.224 BE 2.157 3 Anodyne high BEAAHL CCCc1cc(=O)oc2cc([O-])cc([O-])c12 CCCc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000040645 67/10/99/342671099 HDPADVKOPBBPJW-UHFFFAOYSA-N -1 220.224 BE 2.157 1 Anodyne mid BEAAMM CCCc1cc(=O)oc2cc(O)cc([O-])c12 CCCc1cc(=O)oc2cc(O)cc(O)c12 ZINC000000040645 67/10/97/342671097 HDPADVKOPBBPJW-UHFFFAOYSA-N 0 220.224 BE 2.157 0 Anodyne ref BEAARN CCCc1cc(=O)oc2cc(O)cc(O)c12 O=C(O)c1ccc(Br)s1 ZINC000000042559 67/10/80/342671080 COWZPSUDTMGBAT-UHFFFAOYSA-N -1 207.048 BE 2.209 0 Anodyne ref BEAARM O=C([O-])c1ccc(Br)s1 in-vitro 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 Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000043840 67/12/38/342671238 KAESCVXWIWIQKP-UHFFFAOYSA-N 0 218.3 BE 2.331 0 Anodyne ref BEAARN Nc1ccc(C(=O)NC2CCCCC2)cc1 CCOC(=O)c1c(N)sc(C(C)=O)c1C ZINC000000047824 28/90/18/170289018 BYBXJRFAEPGDLK-UHFFFAOYSA-N 0 227.285 BE 2.018 0 Anodyne ref BEAARN CCOC(=O)c1c(N)sc(C(C)=O)c1C CCOC(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000000050257 28/73/62/170287362 ZCNAULQFSXEJTD-UHFFFAOYSA-N 0 209.245 BE 2.011 0 Anodyne ref BEAARN CCOC(=O)c1c(C)[nH]c(C(C)=O)c1C 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 O=C(O)CSc1nc2ccccc2o1 ZINC000000050892 47/32/25/182473225 MZIJIHZQKNAQBF-UHFFFAOYSA-N -1 209.226 BE 2.005 0 Anodyne ref BEAARM O=C([O-])CSc1nc2ccccc2o1 Cc1nn(Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000000055325 24/46/04/187244604 MYVFMBDPEXBOSC-UHFFFAOYSA-N 0 231.255 BE 2.456 0 Bother ref BEBARN Cc1nn(Cc2ccccc2)c(C)c1[N+](=O)[O-] COc1cc(C=O)cc(Br)c1OC ZINC000000056431 04/45/51/363044551 ICVODPFGWCUVJC-UHFFFAOYSA-N 0 245.072 BE 2.279 0 Anodyne ref BEAARN COc1cc(C=O)cc(Br)c1OC 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 Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000000056592 24/42/11/187244211 JBNOVHJXQSHGRL-UHFFFAOYSA-N 0 229.157 BE 2.394 0 Anodyne ref BEAARN Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 in-vitro CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000056824 25/81/91/170258191 FLASAKCDOWUBQX-ZDUSSCGKSA-N 1 233.311 BE 2.214 1 Anodyne mid BEAAMO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000056824 25/81/90/170258190 FLASAKCDOWUBQX-ZDUSSCGKSA-N 1 233.311 BE 2.214 1 Anodyne mid BEAAMO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000000056824 25/81/89/170258189 FLASAKCDOWUBQX-ZDUSSCGKSA-N 0 233.311 BE 2.214 0 Anodyne ref BEAARN CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 O=C(O)COc1cccc(Cl)c1Cl ZINC000000057142 82/07/35/383820735 RBJIGQRZLITQJG-UHFFFAOYSA-N -1 221.039 BE 2.457 0 Anodyne ref BEAARM O=C([O-])COc1cccc(Cl)c1Cl 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 CC(=O)Nc1cccc(Br)c1 ZINC000000062704 67/24/66/342672466 XXHOHJTVFUJJMT-UHFFFAOYSA-N 0 214.062 BE 2.408 0 Anodyne ref BEAARN CC(=O)Nc1cccc(Br)c1 C[C@H](Oc1cccc(Br)c1)C(=O)O ZINC000000064812 02/31/69/177023169 CVTUTWGZPGJAQL-LURJTMIESA-N -1 245.072 BE 2.301 0 Anodyne ref BEAARM C[C@H](Oc1cccc(Br)c1)C(=O)[O-] C[C@@H](Oc1cccc(Br)c1)C(=O)O ZINC000000064814 00/45/55/176004555 CVTUTWGZPGJAQL-ZCFIWIBFSA-N -1 245.072 BE 2.301 0 Anodyne ref BEAARM C[C@@H](Oc1cccc(Br)c1)C(=O)[O-] 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 CCCC(=O)Nc1cccc(C(=O)O)c1 ZINC000000064981 67/23/70/342672370 ASXLJZIPYBUVFW-UHFFFAOYSA-N -1 207.229 BE 2.123 0 Anodyne ref BEAARM CCCC(=O)Nc1cccc(C(=O)[O-])c1 Cc1cc(C)n(-c2ccc(C(=O)O)cc2)n1 ZINC000000065045 91/98/39/177919839 LXNGKWBJIIXNBD-UHFFFAOYSA-N -1 216.24 BE 2.187 0 Anodyne ref BEAARM Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)n1 CCOc1cc(C=O)ccc1OC(F)F ZINC000000065169 67/23/30/342672330 GYRYHZYEFPCQIZ-UHFFFAOYSA-N 0 216.183 BE 2.499 0 Anodyne ref BEAARN CCOc1cc(C=O)ccc1OC(F)F 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 O=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000000075362 92/55/65/384925565 PMFWIANLJTWYNH-UHFFFAOYSA-N 0 216.196 BE 2.198 0 Bother ref BEBARN O=Cc1cccn1-c1cccc([N+](=O)[O-])c1 CC(=O)CC(=O)Nc1ccccc1Cl ZINC000000075388 09/85/54/188098554 BFVHBHKMLIBQNN-UHFFFAOYSA-N 0 211.648 BE 2.258 0 Anodyne ref BEAARN CC(=O)CC(=O)Nc1ccccc1Cl CCOc1cc(C=O)cc(Br)c1O ZINC000000078254 67/30/97/342673097 GWEFTCNMUHHQLP-UHFFFAOYSA-N 0 245.072 BE 2.366 2 Anodyne low BEAALN CCOc1cc(C=O)cc(Br)c1O CCOc1cc(C=O)cc(Br)c1O ZINC000000078254 67/30/95/342673095 GWEFTCNMUHHQLP-UHFFFAOYSA-N -1 245.072 BE 2.366 0 Anodyne ref BEAARM CCOc1cc(C=O)cc(Br)c1[O-] 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 CC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000000082433 27/28/12/188272812 UHCVPUSBZDLSQF-VIFPVBQESA-N 0 232.235 BE 2.149 0 Anodyne ref BEAARN CC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 CC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 ZINC000000082436 09/87/45/188098745 UHCVPUSBZDLSQF-SECBINFHSA-N 0 232.235 BE 2.149 0 Anodyne ref BEAARN CC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 O=C(O)Cc1csc(-c2ccccc2)n1 ZINC000000083088 82/36/28/383823628 LYHDWKGJPJRCTG-UHFFFAOYSA-N -1 219.265 BE 2.437 0 Anodyne ref BEAARM O=C([O-])Cc1csc(-c2ccccc2)n1 Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000084168 82/43/59/383824359 BFEQYHQYYNNVEL-UHFFFAOYSA-N 0 225.704 BE 2.364 0 Anodyne ref BEAARN Nc1nnc(Cc2ccc(Cl)cc2)s1 COC(=O)c1c(N)sc2c1CC[C@H](C)C2 ZINC000000084177 84/46/86/173844686 YHYBWJHQHFHSSW-LURJTMIESA-N 0 225.313 BE 2.242 0 Anodyne ref BEAARN COC(=O)c1c(N)sc2c1CC[C@H](C)C2 COC(=O)c1c(N)sc2c1CC[C@@H](C)C2 ZINC000000084180 82/43/20/383824320 YHYBWJHQHFHSSW-ZCFIWIBFSA-N 0 225.313 BE 2.242 0 Anodyne ref BEAARN COC(=O)c1c(N)sc2c1CC[C@@H](C)C2 O=C(O)c1cc2cc(Cl)ccc2oc1=O ZINC000000084513 67/34/11/342673411 FOEGEQQPOKZIAB-UHFFFAOYSA-N -1 224.599 BE 2.145 0 Anodyne ref BEAARM O=C([O-])c1cc2cc(Cl)ccc2oc1=O COc1cc(C=O)ccc1OC(=O)c1ccco1 ZINC000000086068 97/70/48/174977048 KSOOHBRTOATAMA-UHFFFAOYSA-N 0 246.218 BE 2.32 0 Anodyne ref BEAARN COc1cc(C=O)ccc1OC(=O)c1ccco1 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 CCCc1cc(=O)oc2cc(O)ccc12 ZINC000000090155 67/36/44/342673644 GQJVOVBBBZRUBH-UHFFFAOYSA-N -1 204.225 BE 2.451 1 Anodyne mid BEAAMM CCCc1cc(=O)oc2cc([O-])ccc12 CCCc1cc(=O)oc2cc(O)ccc12 ZINC000000090155 67/36/40/342673640 GQJVOVBBBZRUBH-UHFFFAOYSA-N 0 204.225 BE 2.451 0 Anodyne ref BEAARN CCCc1cc(=O)oc2cc(O)ccc12 COc1ccc(C=O)cc1Cn1nc(C)cc1C ZINC000000096556 08/64/02/175086402 XEUFDSHRBLJIJK-UHFFFAOYSA-N 0 244.294 BE 2.369 0 Anodyne ref BEAARN COc1ccc(C=O)cc1Cn1nc(C)cc1C O=C1C=CC(=O)N1c1cccc2ccccc12 ZINC000000096648 67/41/79/342674179 BAWHYOHVWHQWFQ-UHFFFAOYSA-N 0 223.231 BE 2.269 0 Anodyne ref BEAARN O=C1C=CC(=O)N1c1cccc2ccccc12 O=C(O)CSC(=S)c1ccccc1 ZINC000000096972 82/68/71/383826871 XBEIANFIOZTEDE-UHFFFAOYSA-N -1 212.295 BE 2.18 0 Anodyne ref BEAARM O=C([O-])CSC(=S)c1ccccc1 CCOc1ccc(CC(=O)O)cc1OCC ZINC000000103350 67/47/97/342674797 FIKUHWAANCXBGJ-UHFFFAOYSA-N -1 224.256 BE 2.111 0 Anodyne ref BEAARM CCOc1ccc(CC(=O)[O-])cc1OCC O=C(O)Cc1ccc(OC(F)(F)F)cc1 ZINC000000105292 82/74/62/383827462 ZMTIBXQPXBUWPQ-UHFFFAOYSA-N -1 220.146 BE 2.212 0 Anodyne ref BEAARM O=C([O-])Cc1ccc(OC(F)(F)F)cc1 O=C(O)CSc1nc2ccccc2s1 ZINC000000113984 82/66/16/383826616 ZZUQWNYNSKJLPI-UHFFFAOYSA-N -1 225.294 BE 2.473 0 Anodyne ref BEAARM O=C([O-])CSc1nc2ccccc2s1 Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000000118913 77/75/38/181777538 CHBDOPARQRNCDM-UHFFFAOYSA-N 0 221.241 BE 2.301 0 Bother ref BEBARN Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 Cc1c(C)c2ccc(O)c(C)c2oc1=O ZINC000000120374 67/54/54/342675454 GNBLUSRSAGXTJN-UHFFFAOYSA-N -1 204.225 BE 2.424 3 Anodyne high BEAAHM Cc1c(C)c2ccc([O-])c(C)c2oc1=O Cc1c(C)c2ccc(O)c(C)c2oc1=O ZINC000000120374 67/54/52/342675452 GNBLUSRSAGXTJN-UHFFFAOYSA-N 0 204.225 BE 2.424 0 Anodyne ref BEAARN Cc1c(C)c2ccc(O)c(C)c2oc1=O CCOc1ccc(/C=C/C(=O)O)cc1OC ZINC000000120487 67/53/19/342675319 LJMXXNVTJTYKRH-FNORWQNLSA-N -1 222.24 BE 2.192 0 Anodyne ref BEAARM CCOc1ccc(/C=C/C(=O)[O-])cc1OC CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000000121453 28/63/47/170286347 ALRDOFWBPAZOCW-UHFFFAOYSA-N 0 209.245 BE 2.011 0 Anodyne ref BEAARN CCOC(=O)c1[nH]c(C)c(C(C)=O)c1C CC(=O)Nc1sc2c(c1C(=O)O)CCCC2 ZINC000000121527 67/54/05/342675405 YQJPHNLITLRBAJ-UHFFFAOYSA-N -1 239.296 BE 2.284 0 Anodyne ref BEAARM CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 O=c1oc2cc(O)ccc2c2c1CCCC2 ZINC000000123014 67/57/58/342675758 OCRPPMHVRQIWOS-UHFFFAOYSA-N -1 216.236 BE 2.377 1 Anodyne mid BEAAMM O=c1oc2cc([O-])ccc2c2c1CCCC2 O=c1oc2cc(O)ccc2c2c1CCCC2 ZINC000000123014 67/57/57/342675757 OCRPPMHVRQIWOS-UHFFFAOYSA-N 0 216.236 BE 2.377 0 Anodyne ref BEAARN O=c1oc2cc(O)ccc2c2c1CCCC2 Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000123101 67/56/50/342675650 HWMFFWCDLWDYGX-UHFFFAOYSA-N 0 202.213 BE 2.114 0 Clean ref BECARN Nc1ccc(NC(=O)c2ccco2)cc1 O=C(O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000123862 67/57/75/342675775 LKSXLVUUFLNDSS-UHFFFAOYSA-N -1 231.207 BE 2.23 0 Anodyne ref BEAARM O=C([O-])c1ccc(NC(=O)c2ccco2)cc1 Cc1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000000124601 33/21/01/178332101 MYBRNSIBHZNBGY-UHFFFAOYSA-N -1 205.286 BE 2.453 1 Anodyne mid BEAAMM Cc1ccc(-c2n[n-]c(=S)n2C)cc1 Cc1ccc(-c2n[nH]c(=S)n2C)cc1 ZINC000000124601 33/21/00/178332100 MYBRNSIBHZNBGY-UHFFFAOYSA-N 0 205.286 BE 2.453 0 Anodyne ref BEAARN Cc1ccc(-c2n[nH]c(=S)n2C)cc1 Cc1n[nH]c(=S)n1-c1ccc2c(c1)OCCO2 ZINC000000128028 83/11/25/383831125 JVRQEBIQFZUKNB-UHFFFAOYSA-N 0 249.295 BE 2.01 1 Anodyne mid BEAAMN Cc1n[nH]c(=S)n1-c1ccc2c(c1)OCCO2 Cc1n[nH]c(=S)n1-c1ccc2c(c1)OCCO2 ZINC000000128028 83/11/19/383831119 JVRQEBIQFZUKNB-UHFFFAOYSA-N -1 249.295 BE 2.01 0 Anodyne ref BEAARM Cc1n[n-]c(=S)n1-c1ccc2c(c1)OCCO2 Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000128301 67/61/12/342676112 AHWGBTCRPVCUBP-UHFFFAOYSA-N 0 218.3 BE 2.331 0 Anodyne ref BEAARN Nc1ccccc1C(=O)NC1CCCCC1 Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000000128305 67/61/27/342676127 BVUCIDPYOGNAEQ-UHFFFAOYSA-N 0 240.306 BE 2.241 0 Anodyne ref BEAARN Nc1ccccc1C(=O)NCCc1ccccc1 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 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-] Cc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000000141210 83/29/19/383832919 GWLIMEJWPDPIEC-UHFFFAOYSA-N 0 202.213 BE 2.114 0 Anodyne ref BEAARN Cc1n[nH]cc1-c1ccc2c(c1)OCO2 Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000141883 67/66/22/342676622 YBUXKQSCKVQATK-UHFFFAOYSA-N -1 248.307 BE 2.07 3 Anodyne high BEAAHM Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 in-man Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000141883 67/66/19/342676619 YBUXKQSCKVQATK-UHFFFAOYSA-N 0 248.307 BE 2.07 0 Anodyne ref BEAARN Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 in-man Cc1cc(C)c(NC(=O)CC#N)c(C)c1 ZINC000000143751 24/42/72/187244272 WFTLXUGEGQVHGM-UHFFFAOYSA-N 0 202.257 BE 2.464 0 Mild ref BEEARN Cc1cc(C)c(NC(=O)CC#N)c(C)c1 Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000155042 67/77/22/342677722 ITFJBVWVZSRNHZ-UHFFFAOYSA-N 0 211.224 BE 2.472 0 Anodyne ref BEAARN Nc1ccc2oc(-c3cccnc3)nc2c1 Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000155043 67/78/46/342677846 ZCTHPTXYNUMPGE-UHFFFAOYSA-N 0 211.224 BE 2.472 0 Anodyne ref BEAARN Nc1ccc2oc(-c3ccncc3)nc2c1 C[C@H](Oc1ccccc1Cl)C(=O)O ZINC000000155409 02/48/03/177024803 ZGWNXHRVUJVMCP-LURJTMIESA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@H](Oc1ccccc1Cl)C(=O)[O-] C[C@@H](Oc1ccccc1Cl)C(=O)O ZINC000000155410 00/61/23/176006123 ZGWNXHRVUJVMCP-ZCFIWIBFSA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@@H](Oc1ccccc1Cl)C(=O)[O-] 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