Cc1cccc(Nc2ncccc2C(=O)O)c1C ZINC000000001824 15/98/73/179159873 XEQIPELDMSEBJG-UHFFFAOYSA-N -1 242.278 BG 3.14 0 Anodyne ref BGAARM Cc1cccc(Nc2ncccc2C(=O)[O-])c1C in-man CC(C)Cc1ccc([C@H](C)C(=O)O)cc1 ZINC000000002647 24/43/15/187244315 HEFNNWSXXWATRW-JTQLQIEISA-N -1 206.285 BG 3.073 0 Anodyne ref BGAARM CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1 fda Cc1sc(N)nc1-c1ccc(Cl)cc1 ZINC000000007580 66/96/72/342669672 IEJGVSUOFMBPJU-UHFFFAOYSA-N 0 224.716 BG 3.354 0 Anodyne ref BGAARN Cc1sc(N)nc1-c1ccc(Cl)cc1 Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000000031299 75/27/86/181752786 RHCJFZKQYODIDI-UHFFFAOYSA-N 0 246.697 BG 3.175 0 Anodyne ref BGAARN Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 c1ccc(OCc2nc3ccccc3[nH]2)cc1 ZINC000000031304 81/90/89/383819089 XATKRQREMKIRLA-UHFFFAOYSA-N 0 224.263 BG 3.142 0 Anodyne ref BGAARN c1ccc(OCc2nc3ccccc3[nH]2)cc1 COc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000031317 04/04/10/175040410 PYRWEZBEXFMUHH-UHFFFAOYSA-N 0 224.263 BG 3.239 0 Anodyne ref BGAARN COc1ccc(-c2nc3ccccc3[nH]2)cc1 COc1cccc2c1NC(C)(C)C[C@@H]2C ZINC000000033777 30/39/01/175303901 VRGWTUYPGVAHGX-VIFPVBQESA-N 0 205.301 BG 3.393 0 Anodyne ref BGAARN COc1cccc2c1NC(C)(C)C[C@@H]2C COc1cccc2c1NC(C)(C)C[C@H]2C ZINC000000033778 30/43/03/175304303 VRGWTUYPGVAHGX-SECBINFHSA-N 0 205.301 BG 3.393 0 Anodyne ref BGAARN COc1cccc2c1NC(C)(C)C[C@H]2C Cc1ccc(-c2c(C)sc(N)c2C#N)cc1 ZINC000000034145 31/78/71/178317871 RHICPTFVQDHWOQ-UHFFFAOYSA-N 0 228.32 BG 3.486 0 Mild ref BGEARN Cc1ccc(-c2c(C)sc(N)c2C#N)cc1 Cc1sc(N)c(C#N)c1-c1ccccc1 ZINC000000034150 35/07/69/369350769 PQPYGNLKAWFNAF-UHFFFAOYSA-N 0 214.293 BG 3.177 0 Mild ref BGEARN Cc1sc(N)c(C#N)c1-c1ccccc1 Cc1ccc(C)c(-c2csc(N)c2C#N)c1 ZINC000000034151 46/11/03/178461103 YGAOADHWCFBYHS-UHFFFAOYSA-N 0 228.32 BG 3.486 0 Mild ref BGEARN Cc1ccc(C)c(-c2csc(N)c2C#N)c1 COc1ccc(-c2c(C)sc(N)c2C#N)cc1 ZINC000000034152 03/03/37/175030337 DOBQZXVLOBZACE-UHFFFAOYSA-N 0 244.319 BG 3.186 0 Mild ref BGEARN COc1ccc(-c2c(C)sc(N)c2C#N)cc1 COc1cc(C=O)ccc1OCc1ccccc1 ZINC000000035739 67/05/95/342670595 JSHLOPGSDZTEGQ-UHFFFAOYSA-N 0 242.274 BG 3.087 0 Anodyne ref BGAARN COc1cc(C=O)ccc1OCc1ccccc1 in-vitro metabolite O=Cc1ccc(-c2ccccc2Cl)o1 ZINC000000035749 86/51/46/182865146 ONQOZTFAOFZDFK-UHFFFAOYSA-N 0 206.628 BG 3.413 0 Anodyne ref BGAARN O=Cc1ccc(-c2ccccc2Cl)o1 Cc1ccc(-c2csc(N)n2)c(C)c1 ZINC000000035820 33/07/15/178330715 OJXMEMYRDCFPHW-UHFFFAOYSA-N 0 204.298 BG 3.009 0 Anodyne ref BGAARN Cc1ccc(-c2csc(N)n2)c(C)c1 CC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000000035839 47/50/12/166475012 AMKWLFXMVSRMCQ-UHFFFAOYSA-N 0 245.322 BG 3.408 0 Anodyne ref BGAARN CC(=O)c1cccc(NC(=O)C2CCCCC2)c1 CC(C)(C)[C@H]1CCc2c(sc(N)c2C#N)C1 ZINC000000035868 96/88/61/190968861 QDIYAWBTKKYATE-QMMMGPOBSA-N 0 234.368 BG 3.353 0 Mild ref BGEARN CC(C)(C)[C@H]1CCc2c(sc(N)c2C#N)C1 CC(C)(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 ZINC000000035869 90/50/78/384905078 QDIYAWBTKKYATE-MRVPVSSYSA-N 0 234.368 BG 3.353 0 Mild ref BGEARN CC(C)(C)[C@@H]1CCc2c(sc(N)c2C#N)C1 CC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000000035880 81/88/74/383818874 MTMHJZSUQJILAB-UHFFFAOYSA-N 0 245.322 BG 3.408 0 Anodyne ref BGAARN CC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 O=C(c1ccccc1)c1coc2ccc(O)cc12 ZINC000000036639 67/07/33/342670733 HDHPCXZMHILLOZ-UHFFFAOYSA-N -1 238.242 BG 3.369 3 Anodyne high BGAAHM O=C(c1ccccc1)c1coc2ccc([O-])cc12 O=C(c1ccccc1)c1coc2ccc(O)cc12 ZINC000000036639 67/07/32/342670732 HDHPCXZMHILLOZ-UHFFFAOYSA-N 0 238.242 BG 3.369 0 Anodyne ref BGAARN O=C(c1ccccc1)c1coc2ccc(O)cc12 Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000000038190 67/05/92/342670592 OHKSDBATRIWCTK-UHFFFAOYSA-N 0 228.226 BG 3.216 0 Anodyne ref BGAARN Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 O=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000000039144 81/97/58/383819758 ROJGJNINTRCMBL-UHFFFAOYSA-N 0 206.628 BG 3.413 0 Anodyne ref BGAARN O=Cc1ccc(-c2ccc(Cl)cc2)o1 c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000000041858 39/51/25/183395125 BMLOBNVUJHKONU-UHFFFAOYSA-N 1 222.291 BG 3.348 2 Anodyne low BGAALO c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000000041858 39/51/22/183395122 BMLOBNVUJHKONU-UHFFFAOYSA-N 0 222.291 BG 3.348 0 Anodyne ref BGAARN c1ccc(CCc2nc3ccccc3[nH]2)cc1 Nc1cc(-c2ccccc2)nn1Cc1ccccc1 ZINC000000051456 67/15/01/342671501 XMEAHPOVYFOANY-UHFFFAOYSA-N 0 249.317 BG 3.181 0 Anodyne ref BGAARN Nc1cc(-c2ccccc2)nn1Cc1ccccc1 O=C(O)c1ccc(CSc2ccccn2)cc1 ZINC000000052099 56/61/38/182566138 WVJPZRUUOGYPAV-UHFFFAOYSA-N -1 245.303 BG 3.072 0 Anodyne ref BGAARM O=C([O-])c1ccc(CSc2ccccn2)cc1 O=C(Cc1ccccc1)c1cccs1 ZINC000000054860 04/54/37/182045437 HXMVINSKZVYIDI-UHFFFAOYSA-N 0 202.278 BG 3.174 0 Anodyne ref BGAARN O=C(Cc1ccccc1)c1cccs1 O=C(O)/C=C/c1ccc(Cl)cc1Cl ZINC000000056451 82/13/35/383821335 MEBWABJHRAYGFW-DUXPYHPUSA-N -1 217.051 BG 3.091 0 Anodyne ref BGAARM O=C([O-])/C=C/c1ccc(Cl)cc1Cl in-vitro O=C(O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000056453 74/81/72/384748172 RRLUFPHCTSFKNR-DUXPYHPUSA-N -1 217.051 BG 3.091 0 Anodyne ref BGAARM O=C([O-])/C=C/c1ccc(Cl)c(Cl)c1 in-vitro biogenic Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000057126 09/77/22/344097722 ZBPKGHOGUVVDLF-UHFFFAOYSA-N 0 246.291 BG 3.328 0 Bother ref BGBARN Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 Cc1ccc2nc(Cl)c(C=O)cc2c1 ZINC000000058232 67/21/28/342672128 FSLNYYZJXMGKHK-UHFFFAOYSA-N 0 205.644 BG 3.009 0 Anodyne ref BGAARN Cc1ccc2nc(Cl)c(C=O)cc2c1 O=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000059446 82/22/42/383822242 LZGBMIZREYTWRI-UHFFFAOYSA-N 0 248.285 BG 3.352 0 Anodyne ref BGAARN O=Cc1cn(-c2ccccc2)nc1-c1ccccc1 O=C(O)c1ccc(CSCc2ccco2)cc1 ZINC000000060974 67/21/64/342672164 YKWFODPJEKPJPA-UHFFFAOYSA-N -1 248.303 BG 3.411 0 Anodyne ref BGAARM O=C([O-])c1ccc(CSCc2ccco2)cc1 COc1ccc2c(Cl)c(C(=O)O)sc2c1 ZINC000000064964 20/48/63/175204863 LEAIEMOBUHEQNT-UHFFFAOYSA-N -1 242.683 BG 3.262 0 Anodyne ref BGAARM COc1ccc2c(Cl)c(C(=O)[O-])sc2c1 Cc1ccc(COc2ccccc2C=O)cc1 ZINC000000065203 67/23/80/342672380 KLZXAPCLPREJOL-UHFFFAOYSA-N 0 226.275 BG 3.387 0 Anodyne ref BGAARN Cc1ccc(COc2ccccc2C=O)cc1 Cc1ccc(COc2ccc(C=O)cc2)cc1 ZINC000000065205 27/25/14/188272514 PQBHYFMKHRCUDY-UHFFFAOYSA-N 0 226.275 BG 3.387 0 Anodyne ref BGAARN Cc1ccc(COc2ccc(C=O)cc2)cc1 CCCC(=O)c1ccc(Br)cc1 ZINC000000065218 67/24/78/342672478 HOIDKJFWEVIJAT-UHFFFAOYSA-N 0 227.101 BG 3.432 0 Anodyne ref BGAARN CCCC(=O)c1ccc(Br)cc1 Cc1ccc(COc2cccc(C=O)c2)cc1 ZINC000000065220 67/24/17/342672417 RALZJSWDPJNFQA-UHFFFAOYSA-N 0 226.275 BG 3.387 0 Anodyne ref BGAARN Cc1ccc(COc2cccc(C=O)c2)cc1 O=C(O)c1sc2ccccc2c1Cl ZINC000000066959 59/85/90/182598590 HJTMIYKPPPYDRJ-UHFFFAOYSA-N -1 212.657 BG 3.253 0 Anodyne ref BGAARM O=C([O-])c1sc2ccccc2c1Cl N#Cc1c(Cl)nsc1-c1ccccc1 ZINC000000067758 07/36/90/181073690 YLULGDCWLXHHOY-UHFFFAOYSA-N 0 220.684 BG 3.335 0 Mild ref BGEARN N#Cc1c(Cl)nsc1-c1ccccc1 O=C(O)[C@@H](c1ccccc1)C1CCCC1 ZINC000000068019 67/23/10/342672310 BCJIDGDYYYBNNB-LBPRGKRZSA-N -1 204.269 BG 3.045 0 Anodyne ref BGAARM O=C([O-])[C@@H](c1ccccc1)C1CCCC1 O=C(O)[C@H](c1ccccc1)C1CCCC1 ZINC000000068025 67/24/19/342672419 BCJIDGDYYYBNNB-GFCCVEGCSA-N -1 204.269 BG 3.045 0 Anodyne ref BGAARM O=C([O-])[C@H](c1ccccc1)C1CCCC1 O=C(O)c1cc2c(s1)-c1ccccc1CC2 ZINC000000069806 67/27/42/342672742 IGBRCZHGFVMFCR-UHFFFAOYSA-N -1 230.288 BG 3.212 0 Anodyne ref BGAARM O=C([O-])c1cc2c(s1)-c1ccccc1CC2 O=C(O)c1cc(-c2ccco2)nc2ccccc12 ZINC000000074195 67/31/18/342673118 WWEKTFINADFAEC-UHFFFAOYSA-N -1 239.23 BG 3.193 0 Anodyne ref BGAARM O=C([O-])c1cc(-c2ccco2)nc2ccccc12 O=[N+]([O-])c1cccc(N2Cc3ccccc3C2)c1 ZINC000000075334 94/67/38/182946738 KGTVGOAEWDYWLH-UHFFFAOYSA-N 0 240.262 BG 3.115 0 Bother ref BGBARN O=[N+]([O-])c1cccc(N2Cc3ccccc3C2)c1 COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000000075883 14/96/88/175149688 NRCVKUDLIIDNJU-UHFFFAOYSA-N 0 245.322 BG 3.38 0 Mild ref BGEARN COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 ZINC000000079203 82/50/80/383825080 NSQSYMQZJMZXRY-UHFFFAOYSA-N 0 238.29 BG 3.45 0 Anodyne ref BGAARN Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 O=C(O)/C(=C/c1ccccc1)c1ccccc1 ZINC000000080747 40/80/28/182408028 BIDDLDNGQCUOJQ-SDNWHVSQSA-N -1 224.259 BG 3.312 0 Anodyne ref BGAARM O=C([O-])/C(=C/c1ccccc1)c1ccccc1 in-vitro biogenic Brc1ccc2[nH]c3c(c2c1)CCC3 ZINC000000081142 09/94/91/166099491 XKDWSCYYHKJAGK-UHFFFAOYSA-N 0 236.112 BG 3.419 0 Anodyne ref BGAARN Brc1ccc2[nH]c3c(c2c1)CCC3 Cc1ccc(-c2nc(N)sc2C)cc1 ZINC000000084123 33/53/11/178335311 LARKPJHOVACKEM-UHFFFAOYSA-N 0 204.298 BG 3.009 0 Clean ref BGCARN Cc1ccc(-c2nc(N)sc2C)cc1 CCOC(=O)c1cc(-c2ccccc2)sc1N ZINC000000084129 29/05/67/170290567 WIVNPGXPJBBZQH-UHFFFAOYSA-N 0 247.319 BG 3.174 0 Anodyne ref BGAARN CCOC(=O)c1cc(-c2ccccc2)sc1N O=Cc1ccc(OCc2ccccc2F)cc1 ZINC000000084930 82/33/72/383823372 HSFLULIGUCYNMW-UHFFFAOYSA-N 0 230.238 BG 3.217 0 Anodyne ref BGAARN O=Cc1ccc(OCc2ccccc2F)cc1 O=C(O)CSc1cccc2ccccc12 ZINC000000085145 82/48/05/383824805 PIQCZHHPDSYZPP-UHFFFAOYSA-N -1 218.277 BG 3.017 0 Anodyne ref BGAARM O=C([O-])CSc1cccc2ccccc12 O=[N+]([O-])c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000000086942 94/16/48/182941648 DGGQZKWSSUCGHQ-UHFFFAOYSA-N 0 235.239 BG 3.026 0 Bother ref BGBARN O=[N+]([O-])c1ccc2c(c1)OC1(CCCCC1)O2 Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S ZINC000000090959 67/40/24/342674024 WBHKPLKLHZOBRB-UHFFFAOYSA-N -1 247.367 BG 3.442 1 Anodyne mid BGAAMM Cn1c(-c2ccc(C(C)(C)C)cc2)n[n-]c1=S Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S ZINC000000090959 67/40/22/342674022 WBHKPLKLHZOBRB-UHFFFAOYSA-N 0 247.367 BG 3.442 0 Anodyne ref BGAARN Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S N#Cc1cccnc1Sc1ccccc1 ZINC000000091891 15/41/59/181154159 AKYKVQMXDAVSNN-UHFFFAOYSA-N 0 212.277 BG 3.104 0 Mild ref BGEARN N#Cc1cccnc1Sc1ccccc1 O=[N+]([O-])c1ccc(OCc2ccccc2)cc1 ZINC000000091993 32/77/84/344327784 YOVUXLHIVNBVKO-UHFFFAOYSA-N 0 229.235 BG 3.174 0 Bother ref BGBARN O=[N+]([O-])c1ccc(OCc2ccccc2)cc1 COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 ZINC000000105216 22/45/21/175224521 CMWTZPSULFXXJA-VIFPVBQESA-N -1 230.263 BG 3.037 0 Anodyne ref BGAARM COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1 fda COC(=O)c1c(-c2ccc(C)cc2)csc1N ZINC000000105311 82/79/41/383827941 MREFUXQLNNUUNV-UHFFFAOYSA-N 0 247.319 BG 3.092 0 Anodyne ref BGAARN COC(=O)c1c(-c2ccc(C)cc2)csc1N COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2 ZINC000000106331 21/34/78/175213478 RGTTZMPTUIAPIG-VIFPVBQESA-N 1 205.301 BG 3.393 2 Anodyne low BGAALO COc1ccc2c(c1)[C@@H](C)CC(C)(C)[NH2+]2 COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2 ZINC000000106331 21/34/75/175213475 RGTTZMPTUIAPIG-VIFPVBQESA-N 0 205.301 BG 3.393 0 Anodyne ref BGAARN COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2 COc1ccc2c(c1)[C@H](C)CC(C)(C)N2 ZINC000000106333 21/56/26/175215626 RGTTZMPTUIAPIG-SECBINFHSA-N 1 205.301 BG 3.393 2 Anodyne low BGAALO COc1ccc2c(c1)[C@H](C)CC(C)(C)[NH2+]2 COc1ccc2c(c1)[C@H](C)CC(C)(C)N2 ZINC000000106333 21/56/23/175215623 RGTTZMPTUIAPIG-SECBINFHSA-N 0 205.301 BG 3.393 0 Anodyne ref BGAARN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2 C[C@@]12CC3CC(C(=O)O)(C1)C[C@](C)(C3)C2 ZINC000000107439 67/46/22/342674622 BSWOQWGHXZTDOO-QGVZIFMBSA-N -1 208.301 BG 3.068 0 Anodyne ref BGAARM C[C@@]12CC3CC(C(=O)[O-])(C1)C[C@](C)(C3)C2 O=C(O)CCC12CC3CC(CC(C3)C1)C2 ZINC000000107448 82/74/94/383827494 MQLZRIWOJRILDI-UHFFFAOYSA-N -1 208.301 BG 3.068 0 Anodyne ref BGAARM O=C([O-])CCC12CC3CC(CC(C3)C1)C2 CCOc1ccc(-c2n[nH]c(=S)n2CC)cc1 ZINC000000107530 67/46/05/342674605 WEKYVARPSFWPBN-UHFFFAOYSA-N -1 249.339 BG 3.026 1 Anodyne mid BGAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC)cc1 CCOc1ccc(-c2n[nH]c(=S)n2CC)cc1 ZINC000000107530 67/46/02/342674602 WEKYVARPSFWPBN-UHFFFAOYSA-N 0 249.339 BG 3.026 0 Anodyne ref BGAARN CCOc1ccc(-c2n[nH]c(=S)n2CC)cc1 N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1 ZINC000000108948 07/85/07/181078507 RDQSOEAGWZLHBE-UHFFFAOYSA-N 0 240.218 BG 3.253 0 Mild ref BGEARN N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1 NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 ZINC000000110236 45/48/63/181454863 HEBVBIGUNHPPLF-CQSZACIVSA-N 1 236.318 BG 3.259 0 Anodyne ref BGAARO [NH3+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12 NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 ZINC000000110239 82/69/17/383826917 HEBVBIGUNHPPLF-AWEZNQCLSA-N 1 236.318 BG 3.259 0 Anodyne ref BGAARO [NH3+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12 Clc1ccc(-c2ccn[nH]2)c(Cl)c1 ZINC000000111783 67/49/56/342674956 UJCGSLGYVLLGJK-UHFFFAOYSA-N 0 213.067 BG 3.384 0 Anodyne ref BGAARN Clc1ccc(-c2cc[nH]n2)c(Cl)c1 COC(=O)c1ccc(-c2ccccc2)s1 ZINC000000111955 82/75/28/383827528 UTTYIXTVWNXIDC-UHFFFAOYSA-N 0 218.277 BG 3.202 0 Anodyne ref BGAARN COC(=O)c1ccc(-c2ccccc2)s1 NC[C@H](Cc1ccccc1F)c1ccccc1 ZINC000000112544 82/66/81/383826681 AVXOIIFYQXGQRL-AWEZNQCLSA-N 1 229.298 BG 3.111 0 Anodyne ref BGAARO [NH3+]C[C@H](Cc1ccccc1F)c1ccccc1 NC[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000000112546 82/76/97/383827697 AVXOIIFYQXGQRL-CQSZACIVSA-N 1 229.298 BG 3.111 0 Anodyne ref BGAARO [NH3+]C[C@@H](Cc1ccccc1F)c1ccccc1 c1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000000113392 52/76/01/384527601 YTLQFZVCLXFFRK-UHFFFAOYSA-N 1 208.264 BG 3.154 2 Anodyne low BGAALO c1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1 in-man c1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000000113392 52/75/88/384527588 YTLQFZVCLXFFRK-UHFFFAOYSA-N 0 208.264 BG 3.154 0 Anodyne ref BGAARN c1ccc(Cc2nc3ccccc3[nH]2)cc1 in-man CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1 ZINC000000113398 82/73/87/383827387 HEFNNWSXXWATRW-SNVBAGLBSA-N -1 206.285 BG 3.073 0 Anodyne ref BGAARM CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1 fda COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1 ZINC000000113439 22/46/51/175224651 CMWTZPSULFXXJA-SECBINFHSA-N -1 230.263 BG 3.037 0 Anodyne ref BGAARM COc1ccc2cc([C@@H](C)C(=O)[O-])ccc2c1 world Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000113789 86/43/35/179864335 NNJAZKNRYIMHJV-UHFFFAOYSA-N 0 220.253 BG 3.027 0 Bother ref BGBARN Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 CCOC(=O)c1c(-c2ccccc2)csc1N ZINC000000117489 28/73/69/170287369 WYTHTMKMOSPACP-UHFFFAOYSA-N 0 247.319 BG 3.174 0 Anodyne ref BGAARN CCOC(=O)c1c(-c2ccccc2)csc1N in-vitro O=C(O)C[C@@H](c1ccc(Cl)cc1)n1cccc1 ZINC000000118433 83/11/15/383831115 MGUALOLWCRAAAA-LBPRGKRZSA-N -1 249.697 BG 3.206 0 Anodyne ref BGAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1)n1cccc1 O=C(O)C[C@H](c1ccc(Cl)cc1)n1cccc1 ZINC000000118438 82/93/42/383829342 MGUALOLWCRAAAA-GFCCVEGCSA-N -1 249.697 BG 3.206 0 Anodyne ref BGAARM O=C([O-])C[C@H](c1ccc(Cl)cc1)n1cccc1 O=C(O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000000119473 82/99/64/383829964 QJNFJEMGWIQMJT-UHFFFAOYSA-N -1 224.687 BG 3.236 0 Anodyne ref BGAARM O=C([O-])C1(c2ccc(Cl)cc2)CCCC1 Cc1ccnc2c1ccc1c(C)ccnc12 ZINC000000120461 82/98/18/383829818 JIVLDFFWTQYGSR-UHFFFAOYSA-N 0 208.264 BG 3.4 0 Bother ref BGBARN Cc1ccnc2c1ccc1c(C)ccnc12 in-vivo Nc1ccccc1C(=O)Nc1ccccc1Cl ZINC000000122556 67/57/62/342675762 WFSUBNNPXUDKAD-UHFFFAOYSA-N 0 246.697 BG 3.175 0 Anodyne ref BGAARN Nc1ccccc1C(=O)Nc1ccccc1Cl Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000122626 67/58/06/342675806 PODFNAVRZPMCEM-UHFFFAOYSA-N 0 246.697 BG 3.175 0 Anodyne ref BGAARN Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Cc1ccc2oc(-c3ccc(N)cc3)nc2c1 ZINC000000122964 67/56/97/342675697 TZIKYKSWQZSLOO-UHFFFAOYSA-N 0 224.263 BG 3.385 0 Anodyne ref BGAARN Cc1ccc2oc(-c3ccc(N)cc3)nc2c1 Cc1ccccc1-c1nc2cc(N)ccc2o1 ZINC000000123028 23/77/05/179237705 UETQYGACINQVKI-UHFFFAOYSA-N 0 224.263 BG 3.385 0 Anodyne ref BGAARN Cc1ccccc1-c1nc2cc(N)ccc2o1 Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000123084 67/57/94/342675794 QWHNNYUNGVIXJA-UHFFFAOYSA-N 0 246.697 BG 3.175 0 Clean ref BGCARN Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 Nc1ccccc1C(=O)Oc1ccc(Cl)cc1 ZINC000000129032 67/60/18/342676018 VIRDYRPKKYCAJQ-UHFFFAOYSA-N 0 247.681 BG 3.141 0 Anodyne ref BGAARN Nc1ccccc1C(=O)Oc1ccc(Cl)cc1 CC(C)(C)c1ccc(/C=C/C(=O)O)cc1 ZINC000000131513 45/21/68/188452168 QFSPZKLJQZSLQU-RMKNXTFCSA-N -1 204.269 BG 3.082 0 Anodyne ref BGAARM CC(C)(C)c1ccc(/C=C/C(=O)[O-])cc1 in-vitro CCC12C[C@@H]3C[C@H](C1)CC(C(=O)O)(C3)C2 ZINC000000134944 50/73/40/168507340 ZJBLNYRNJSFPQO-ASZHBFLOSA-N -1 208.301 BG 3.068 0 Anodyne ref BGAARM CCC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2 O=C(O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000135054 56/16/31/182561631 XIPQHWUSDHTXOO-UHFFFAOYSA-N -1 222.627 BG 3.298 0 Anodyne ref BGAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)o1 CCc1ccc(OCc2ccc(C(=O)O)o2)cc1 ZINC000000135514 83/25/92/383832592 AODZZHSIEMSDEZ-UHFFFAOYSA-N -1 246.262 BG 3.119 0 Anodyne ref BGAARM CCc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 CC(=O)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000000139636 31/27/84/132312784 KABKVMCSWOIKRT-UHFFFAOYSA-N 0 235.302 BG 3.265 0 Anodyne ref BGAARN CC(=O)c1ccc(N2CCC(C)CC2)c(F)c1 Fc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000140595 67/67/38/342676738 FPWUSPPQEHBWHC-UHFFFAOYSA-N 0 212.227 BG 3.369 0 Anodyne ref BGAARN Fc1ccc(-c2nc3ccccc3[nH]2)cc1 CN(C)/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC000000142392 34/94/48/172349448 PCRNWHRXTOCARP-AATRIKPKSA-N 0 244.121 BG 3.251 0 Mild ref BGEARN CN(C)/C=C/C(=O)c1ccc(Cl)cc1Cl CN(C)/C=C/C(=O)c1ccc2ccccc2c1 ZINC000000142432 35/13/88/172351388 IUVYDBZSZDZCMG-MDZDMXLPSA-N 0 225.291 BG 3.098 0 Mild ref BGEARN CN(C)/C=C/C(=O)c1ccc2ccccc2c1