Cn1ncc(Br)c1C(=O)O ZINC000000035822 67/06/51/342670651 YXIJCAVZGBGUKM-UHFFFAOYSA-N -1 205.011 BC 0.881 0 Anodyne ref BCAARM Cn1ncc(Br)c1C(=O)[O-] N#Cc1cn(Cc2ccccc2)c(=O)nc1O ZINC000000166402 16/14/83/181161483 CWPWTXZTZCRWLW-UHFFFAOYSA-N -1 227.223 BC 0.869 0 Mild ref BCEARM N#Cc1cn(Cc2ccccc2)c(=O)[n-]c1=O N#Cc1cn(-c2ccccc2)c(=O)[nH]c1=O ZINC000000166408 16/16/70/181161670 GRVPRICGTDBBHW-UHFFFAOYSA-N -1 213.196 BC 0.397 0 Mild ref BCEARM N#Cc1cn(-c2ccccc2)c(=O)[n-]c1=O N#Cc1cn(Cc2ccco2)c(=O)[nH]c1=O ZINC000000169571 16/12/31/181161231 DTOWHOLOGOKQHG-UHFFFAOYSA-N -1 217.184 BC 0.05 0 Mild ref BCEARM N#Cc1cn(Cc2ccco2)c(=O)[n-]c1=O N#Cc1cn(C2CCCCC2)c(=O)[nH]c1=O ZINC000000169605 16/16/05/181161605 JLSXEXIHECOGFB-UHFFFAOYSA-N -1 219.244 BC 0.913 0 Mild ref BCEARM N#Cc1cn(C2CCCCC2)c(=O)[n-]c1=O CS(=O)(=O)N(CC(=O)O)c1ccccc1 ZINC000000379967 86/12/97/383861297 GZWOLWYFQBJQDN-UHFFFAOYSA-N -1 229.257 BC 0.537 0 Anodyne ref BCAARM CS(=O)(=O)N(CC(=O)[O-])c1ccccc1 O=C(O)CSCC(=O)Nc1nccs1 ZINC000000420692 52/44/11/384524411 KCXFMHUIYZLAKU-UHFFFAOYSA-N -1 232.286 BC 0.899 0 Anodyne ref BCAARM O=C([O-])CSCC(=O)Nc1nccs1 O=C(O)C[C@H]1C(=O)NC(=O)N1Cc1ccccc1 ZINC000001004755 88/70/30/383887030 ZGFOLAPQPPXIBH-VIFPVBQESA-N -1 248.238 BC 0.582 0 Anodyne ref BCAARM O=C([O-])C[C@H]1C(=O)NC(=O)N1Cc1ccccc1 O=C(O)C[C@@H]1C(=O)NC(=O)N1Cc1ccccc1 ZINC000001004756 88/65/64/383886564 ZGFOLAPQPPXIBH-SECBINFHSA-N -1 248.238 BC 0.582 0 Anodyne ref BCAARM O=C([O-])C[C@@H]1C(=O)NC(=O)N1Cc1ccccc1 O=c1[nH]c(Cl)c(Br)c(=O)[nH]1 ZINC000001027225 98/84/23/350988423 BHFJCCPUFJLYBF-UHFFFAOYSA-N -1 225.429 BC 0.479 3 Anodyne high BCAAHM O=c1[n-]c(Cl)c(Br)c(=O)[nH]1 O=c1[nH]c(Cl)c(Br)c(=O)[nH]1 ZINC000001027225 98/84/22/350988422 BHFJCCPUFJLYBF-UHFFFAOYSA-N 0 225.429 BC 0.479 2 Anodyne low BCAALN O=c1[nH]c(Cl)c(Br)c(=O)[nH]1 O=c1[nH]c(Cl)c(Br)c(=O)[nH]1 ZINC000001027225 98/84/19/350988419 BHFJCCPUFJLYBF-UHFFFAOYSA-N -1 225.429 BC 0.479 0 Anodyne ref BCAARM O=c1[n-]c(=O)c(Br)c(Cl)[nH]1 COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 ZINC000001388451 69/97/98/342699798 QEQGWOLBDNOSAD-MNOVXSKESA-N 0 249.266 BC 0.435 0 Anodyne ref BCAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 O=C(O)c1cn(C2CCCCC2)c(=O)[nH]c1=O ZINC000001679722 58/71/34/182587134 KTNLKAVTJAHRDK-UHFFFAOYSA-N -1 238.243 BC 0.74 0 Anodyne ref BCABRM O=C([O-])c1cn(C2CCCCC2)c(=O)[nH]c1=O C[C@]1(c2ccc(N)cc2)NC(=O)NC1=O ZINC000001763094 93/54/86/383935486 YQHYBOZXXRPFTM-SNVBAGLBSA-N -1 205.217 BC 0.323 3 Anodyne high BCAAHM C[C@]1(c2ccc(N)cc2)NC(=O)[N-]C1=O C[C@]1(c2ccc(N)cc2)NC(=O)NC1=O ZINC000001763094 93/54/73/383935473 YQHYBOZXXRPFTM-SNVBAGLBSA-N 0 205.217 BC 0.323 0 Anodyne ref BCAARN C[C@]1(c2ccc(N)cc2)NC(=O)NC1=O C[C@@]1(c2ccc(N)cc2)NC(=O)NC1=O ZINC000002033380 71/49/09/342714909 YQHYBOZXXRPFTM-JTQLQIEISA-N -1 205.217 BC 0.323 3 Anodyne high BCAAHM C[C@@]1(c2ccc(N)cc2)NC(=O)[N-]C1=O C[C@@]1(c2ccc(N)cc2)NC(=O)NC1=O ZINC000002033380 71/49/08/342714908 YQHYBOZXXRPFTM-JTQLQIEISA-N 0 205.217 BC 0.323 0 Anodyne ref BCAARN C[C@@]1(c2ccc(N)cc2)NC(=O)NC1=O N=c1[nH]c(O)c(-c2ccccc2)c(=O)[nH]1 ZINC000002550808 20/92/46/181209246 HPPMTXLIFATOQB-UHFFFAOYSA-N 0 203.201 BC 0.555 2 Anodyne low BCAALN Nc1nc(O)c(-c2ccccc2)c(=O)[nH]1 N=c1[nH]c(O)c(-c2ccccc2)c(=O)[nH]1 ZINC000002550808 20/92/45/181209245 HPPMTXLIFATOQB-UHFFFAOYSA-N -1 203.201 BC 0.555 0 Anodyne ref BCAARM NC1=NC(=O)C(c2ccccc2)C([O-])=N1 Cc1cc(N)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000003866512 73/86/72/342738672 JAHOJHPUWJXETC-SSDOTTSWSA-N 0 215.278 BC 0.133 0 Anodyne ref BCAARN Cc1cc(N)n([C@@H]2CCS(=O)(=O)C2)n1 Cc1cc(N)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000003866513 27/58/63/188275863 JAHOJHPUWJXETC-ZETCQYMHSA-N 0 215.278 BC 0.133 0 Anodyne ref BCAARN Cc1cc(N)n([C@H]2CCS(=O)(=O)C2)n1 COC(=O)C[C@@H](C(=O)OC)N1CCCC1 ZINC000003881254 73/86/06/342738606 RJQDWVPQOJAKCQ-QMMMGPOBSA-N 1 215.249 BC 0.187 1 Anodyne mid BCAAMO COC(=O)C[C@@H](C(=O)OC)[NH+]1CCCC1 COC(=O)C[C@@H](C(=O)OC)N1CCCC1 ZINC000003881254 73/86/04/342738604 RJQDWVPQOJAKCQ-QMMMGPOBSA-N 0 215.249 BC 0.187 0 Anodyne ref BCAARN COC(=O)C[C@@H](C(=O)OC)N1CCCC1 COC(=O)C[C@H](C(=O)OC)N1CCCC1 ZINC000003881255 73/86/49/342738649 RJQDWVPQOJAKCQ-MRVPVSSYSA-N 1 215.249 BC 0.187 1 Anodyne mid BCAAMO COC(=O)C[C@H](C(=O)OC)[NH+]1CCCC1 COC(=O)C[C@H](C(=O)OC)N1CCCC1 ZINC000003881255 73/86/48/342738648 RJQDWVPQOJAKCQ-MRVPVSSYSA-N 0 215.249 BC 0.187 0 Anodyne ref BCAARN COC(=O)C[C@H](C(=O)OC)N1CCCC1 Cn1c(C/C(N)=N/O)nc2ccccc21 ZINC000003888359 73/91/22/342739122 TWKGFTUFKKKXCJ-UHFFFAOYSA-N 0 204.233 BC 0.862 0 Mild ref BCEARN Cn1c(C/C(N)=N/O)nc2ccccc21 Cc1nnnn1-c1ccc(C(=O)O)cc1 ZINC000004013639 45/39/17/180453917 LKOPFDHSPOYDJO-UHFFFAOYSA-N -1 204.189 BC 0.669 0 Anodyne ref BCAARM Cc1nnnn1-c1ccc(C(=O)[O-])cc1 O=C(O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000004200489 04/54/58/384045458 CGXTWPOZGXKGOX-UHFFFAOYSA-N -1 226.232 BC 0.326 0 Anodyne ref BCAARM O=C([O-])CN1C(=O)NC2(CCCCC2)C1=O CC(C)(C)OC(=O)N1CC(=O)[C@@H](C#N)C1 ZINC000004241109 74/51/67/342745167 RKUQLKRPWWYRIG-ZETCQYMHSA-N 0 210.233 BC 0.946 0 Mild ref BCEARN CC(C)(C)OC(=O)N1CC(=O)[C@@H](C#N)C1 CC(C)(C)OC(=O)N1CC(=O)[C@H](C#N)C1 ZINC000004241114 74/52/17/342745217 RKUQLKRPWWYRIG-SSDOTTSWSA-N 0 210.233 BC 0.946 0 Mild ref BCEARN CC(C)(C)OC(=O)N1CC(=O)[C@H](C#N)C1 Cc1nnnn1-c1cccc(C(=O)O)c1 ZINC000004294736 05/44/98/384054498 JLXVSQOBCKTJJU-UHFFFAOYSA-N -1 204.189 BC 0.669 0 Anodyne ref BCAARM Cc1nnnn1-c1cccc(C(=O)[O-])c1 O=C(O)[C@H](c1ccccc1)n1cnnn1 ZINC000004384323 74/74/93/342747493 SMVWFPKUWFVUKN-QMMMGPOBSA-N -1 204.189 BC 0.347 0 Anodyne ref BCAARM O=C([O-])[C@H](c1ccccc1)n1cnnn1 O=C(O)[C@@H](c1ccccc1)n1cnnn1 ZINC000004384324 50/59/09/182505909 SMVWFPKUWFVUKN-MRVPVSSYSA-N -1 204.189 BC 0.347 0 Anodyne ref BCAARM O=C([O-])[C@@H](c1ccccc1)n1cnnn1 O=C(O)c1cnc(N2CCOCC2)nc1 ZINC000004487048 31/66/02/132316602 WMPUFHIOPXMZFI-UHFFFAOYSA-N -1 209.205 BC 0.011 0 Anodyne ref BCAARM O=C([O-])c1cnc(N2CCOCC2)nc1 NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000008436148 31/89/13/132318913 LPTWWXFTXFKZFT-UHFFFAOYSA-N 1 233.315 BC 0.684 0 Anodyne ref BCAARO [NH3+]CCC(=O)N1CCN(c2ccccc2)CC1 NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000008436152 31/89/42/132318942 ZIKLEKHJFFJJOZ-UHFFFAOYSA-N 0 219.288 BC 0.294 3 Anodyne high BCAAHN NCC(=O)N1CCN(c2ccccc2)CC1 NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000008436152 31/89/40/132318940 ZIKLEKHJFFJJOZ-UHFFFAOYSA-N 1 219.288 BC 0.294 0 Anodyne ref BCAARO [NH3+]CC(=O)N1CCN(c2ccccc2)CC1 CC(C)CN1C(=O)NC(=O)[C@H]1CC(=O)O ZINC000008733328 96/46/65/166964665 XQYCOFGPCMKEDN-ZCFIWIBFSA-N -1 214.221 BC 0.037 0 Anodyne ref BCAARM CC(C)CN1C(=O)NC(=O)[C@H]1CC(=O)[O-] CC(C)CN1C(=O)NC(=O)[C@@H]1CC(=O)O ZINC000008733329 80/40/77/342804077 XQYCOFGPCMKEDN-LURJTMIESA-N -1 214.221 BC 0.037 0 Anodyne ref BCAARM CC(C)CN1C(=O)NC(=O)[C@@H]1CC(=O)[O-] NC(=O)c1ccccc1N1CCNCC1 ZINC000008764195 31/91/22/132319122 MDIKGMQCJZSRTO-UHFFFAOYSA-N 0 205.261 BC 0.195 3 Anodyne high BCAAHN NC(=O)c1ccccc1N1CCNCC1 NC(=O)c1ccccc1N1CCNCC1 ZINC000008764195 31/91/21/132319121 MDIKGMQCJZSRTO-UHFFFAOYSA-N 1 205.261 BC 0.195 0 Anodyne ref BCAARO NC(=O)c1ccccc1N1CC[NH2+]CC1 O=c1[nH]c2cc(Br)cnc2nc1O ZINC000008781109 80/48/98/342804898 SMQUNTGAPNGDHP-UHFFFAOYSA-N 0 242.032 BC 0.786 0 Anodyne ref BCAARN O=c1[nH]c2cc(Br)cnc2[nH]c1=O N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000009531489 82/05/45/342820545 LWVRJTJZSHJMHX-RQJHMYQMSA-N 1 214.29 BC 0.952 0 Anodyne ref BCAARO [NH3+][C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000009531492 82/06/00/342820600 LWVRJTJZSHJMHX-RNFRBKRXSA-N 1 214.29 BC 0.952 0 Anodyne ref BCAARO [NH3+][C@@H]1CCCC[C@H]1N1C(=O)CSC1=O N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000009531494 82/05/56/342820556 LWVRJTJZSHJMHX-BQBZGAKWSA-N 1 214.29 BC 0.952 0 Anodyne ref BCAARO [NH3+][C@H]1CCCC[C@@H]1N1C(=O)CSC1=O N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000009531495 82/03/81/342820381 LWVRJTJZSHJMHX-NKWVEPMBSA-N 1 214.29 BC 0.952 0 Anodyne ref BCAARO [NH3+][C@H]1CCCC[C@H]1N1C(=O)CSC1=O COc1ccc2c(c1OC)C(=O)O[C@@H]2CN ZINC000011919650 22/18/06/175221806 JIRTYXPBFWHBDA-MRVPVSSYSA-N 0 223.228 BC 0.874 3 Anodyne high BCAAHN COc1ccc2c(c1OC)C(=O)O[C@@H]2CN COc1ccc2c(c1OC)C(=O)O[C@@H]2CN ZINC000011919650 22/18/04/175221804 JIRTYXPBFWHBDA-MRVPVSSYSA-N 1 223.228 BC 0.874 0 Anodyne ref BCAARO COc1ccc2c(c1OC)C(=O)O[C@@H]2C[NH3+] COc1ccc2c(c1OC)C(=O)O[C@H]2CN ZINC000011919651 22/16/06/175221606 JIRTYXPBFWHBDA-QMMMGPOBSA-N 0 223.228 BC 0.874 3 Anodyne high BCAAHN COc1ccc2c(c1OC)C(=O)O[C@H]2CN COc1ccc2c(c1OC)C(=O)O[C@H]2CN ZINC000011919651 22/16/05/175221605 JIRTYXPBFWHBDA-QMMMGPOBSA-N 1 223.228 BC 0.874 0 Anodyne ref BCAARO COc1ccc2c(c1OC)C(=O)O[C@H]2C[NH3+] O=C(O)Cn1cc(-c2ccccc2)ncc1=O ZINC000012243829 31/18/81/384311881 JSZLROACQKLGIG-UHFFFAOYSA-N -1 230.223 BC 0.995 0 Anodyne ref BCAARM O=C([O-])Cn1cc(-c2ccccc2)ncc1=O N/C(CS(=O)(=O)c1ccccc1)=N/O ZINC000012376809 18/45/54/181184554 JDJJCAFDNKSAPX-UHFFFAOYSA-N -1 214.246 BC 0.207 3 Mild high BCEAHM N/C(CS(=O)(=O)c1ccccc1)=N/[O-] N/C(CS(=O)(=O)c1ccccc1)=N/O ZINC000012376809 18/45/49/181184549 JDJJCAFDNKSAPX-UHFFFAOYSA-N 0 214.246 BC 0.207 0 Mild ref BCEARN N/C(CS(=O)(=O)c1ccccc1)=N/O N/C(CS(=O)(=O)c1ccc(Cl)cc1)=N/O ZINC000013463992 18/36/23/181183623 RJWJKIYKFMICDI-UHFFFAOYSA-N -1 248.691 BC 0.86 3 Mild high BCEAHM N/C(CS(=O)(=O)c1ccc(Cl)cc1)=N/[O-] N/C(CS(=O)(=O)c1ccc(Cl)cc1)=N/O ZINC000013463992 18/36/21/181183621 RJWJKIYKFMICDI-UHFFFAOYSA-N 0 248.691 BC 0.86 0 Mild ref BCEARN N/C(CS(=O)(=O)c1ccc(Cl)cc1)=N/O O=C(O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000013720269 87/09/44/342870944 AAVYIKIZGPTVFN-UHFFFAOYSA-N -1 216.196 BC 0.931 0 Anodyne ref BCAARM O=C([O-])c1ccc(=O)n(-c2ccccc2)n1 O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 ZINC000015021515 89/08/88/342890888 YLJPKSKTKJEACX-ZJUUUORDSA-N -1 235.239 BC 0.347 0 Anodyne ref BCABRM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1 CCN1CN(CCC(=O)O)CN(CC)C1=S ZINC000016839600 02/60/32/170026032 VUNROGAOVHMLCI-UHFFFAOYSA-N -1 245.348 BC 0.62 0 Anodyne ref BCAARM CCN1CN(CCC(=O)[O-])CN(CC)C1=S COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O ZINC000017887074 06/64/40/369066440 ISRRLTIEWOHRNX-UHFFFAOYSA-N -1 228.273 BC 0.847 3 Anodyne high BCAAHM COC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O ZINC000017887074 06/64/35/369066435 ISRRLTIEWOHRNX-UHFFFAOYSA-N 0 228.273 BC 0.847 0 Anodyne ref BCAARN COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O CN1CCN(CC[C@H]2CCCCN2)CC1 ZINC000019362183 08/17/55/173081755 LAJJJUTXUOFUSR-GFCCVEGCSA-N 1 211.353 BC 0.766 1 Anodyne mid BCAAMO CN1CCN(CC[C@H]2CCCC[NH2+]2)CC1 CN1CCN(CC[C@H]2CCCCN2)CC1 ZINC000019362183 08/17/51/173081751 LAJJJUTXUOFUSR-GFCCVEGCSA-N 2 211.353 BC 0.766 0 Anodyne ref BCAARP C[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 CN1CCN(CC[C@@H]2CCCCN2)CC1 ZINC000019369524 08/22/10/173082210 LAJJJUTXUOFUSR-LBPRGKRZSA-N 1 211.353 BC 0.766 1 Anodyne mid BCAAMO CN1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 CN1CCN(CC[C@@H]2CCCCN2)CC1 ZINC000019369524 08/22/05/173082205 LAJJJUTXUOFUSR-LBPRGKRZSA-N 2 211.353 BC 0.766 0 Anodyne ref BCAARP C[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 O=C(CN1CCNCC1)c1cccs1 ZINC000019673200 96/48/00/181964800 JEEBHWUXOPEMAW-UHFFFAOYSA-N 1 210.302 BC 0.836 0 Anodyne ref BCAARO O=C(CN1CC[NH2+]CC1)c1cccs1 O=C(CN1CCNCC1)c1ccccc1 ZINC000019673202 96/41/98/181964198 KTACZRWRTSQVNO-UHFFFAOYSA-N 1 204.273 BC 0.774 0 Anodyne ref BCAARO O=C(CN1CC[NH2+]CC1)c1ccccc1 COc1ccc(C(=O)CN2CCNCC2)cc1 ZINC000019673216 05/35/04/175053504 IQMABXSRCNBIQC-UHFFFAOYSA-N 1 234.299 BC 0.783 0 Anodyne ref BCAARO COc1ccc(C(=O)CN2CC[NH2+]CC2)cc1 COc1ccccc1C(=O)CN1CCNCC1 ZINC000019673233 31/65/63/175316563 HXJJRVFLEQSNAP-UHFFFAOYSA-N 1 234.299 BC 0.783 0 Anodyne ref BCABRO COc1ccccc1C(=O)CN1CC[NH2+]CC1 COc1cccc(C(=O)CN2CCNCC2)c1 ZINC000019673235 24/25/01/175242501 DWKKIEKDRNECCK-UHFFFAOYSA-N 1 234.299 BC 0.783 0 Anodyne ref BCABRO COc1cccc(C(=O)CN2CC[NH2+]CC2)c1 c1ccc2[nH]c(CN3CCNCC3)nc2c1 ZINC000019735579 53/34/74/384533474 HZGYQWFLJSXVDQ-UHFFFAOYSA-N 1 216.288 BC 0.968 0 Anodyne ref BCAARO c1ccc2[nH]c(CN3CC[NH2+]CC3)nc2c1 Nc1ccccc1NC(=O)CN1CCOCC1 ZINC000019735583 95/54/83/342955483 WVKUEAJQWMSAHR-UHFFFAOYSA-N 0 235.287 BC 0.539 0 Anodyne ref BCAARN Nc1ccccc1NC(=O)CN1CCOCC1 N#Cc1c(N)cc(N)nc1Br ZINC000019941822 07/69/11/181076911 NKXPRYBNUGINBZ-UHFFFAOYSA-N 0 213.038 BC 0.88 0 Mild ref BCEARN N#Cc1c(N)cc(N)nc1Br CN(C)c1ccc([C@@H]2CC(=O)N=C(N)N2)cc1 ZINC000020134708 23/41/54/371234154 NPWXPHBVSGSTBB-JTQLQIEISA-N 1 232.287 BC 0.628 2 Clean low BCCBLO CN(C)c1ccc([C@@H]2C=C(O)NC(=[NH2+])N2)cc1 CN(C)c1ccc([C@@H]2CC(=O)N=C(N)N2)cc1 ZINC000020134708 23/41/44/371234144 NPWXPHBVSGSTBB-JTQLQIEISA-N 0 232.287 BC 0.628 0 Clean ref BCCBRN CN(C)c1ccc([C@@H]2C=C([O-])NC(=[NH2+])N2)cc1 CN(C)c1ccc([C@H]2CC(=O)N=C(N)N2)cc1 ZINC000020134711 23/50/72/371235072 NPWXPHBVSGSTBB-SNVBAGLBSA-N 1 232.287 BC 0.628 2 Clean low BCCBLO CN(C)c1ccc([C@H]2C=C(O)NC(=[NH2+])N2)cc1 CN(C)c1ccc([C@H]2CC(=O)N=C(N)N2)cc1 ZINC000020134711 23/50/70/371235070 NPWXPHBVSGSTBB-SNVBAGLBSA-N 0 232.287 BC 0.628 0 Clean ref BCCBRN CN(C)c1ccc([C@H]2C=C([O-])NC(=[NH2+])N2)cc1 NC1=Nc2c(ccc(O)c2O)C2=NCCN12 ZINC000021948302 48/11/55/356481155 DYICYCAYPYBENA-UHFFFAOYSA-N 1 218.216 BC 0.12 2 Clean low BCCBLO N=C1Nc2c(ccc(O)c2O)C2=[NH+]CCN12 NC1=Nc2c(ccc(O)c2O)C2=NCCN12 ZINC000021948302 48/11/48/356481148 DYICYCAYPYBENA-UHFFFAOYSA-N 1 218.216 BC 0.12 1 Clean mid BCCBMO [NH2+]=C1Nc2c(ccc(O)c2O)C2=NCCN12 NC1=Nc2c(ccc(O)c2O)C2=NCCN12 ZINC000021948302 48/11/37/356481137 DYICYCAYPYBENA-UHFFFAOYSA-N 0 218.216 BC 0.12 0 Clean ref BCCBRN N=C1Nc2c(ccc(O)c2O)C2=NCCN12 NC(=O)C1CCN(c2ccccc2N)CC1 ZINC000022223495 33/30/52/132333052 JVCKBCDBNNVCTB-UHFFFAOYSA-N 0 219.288 BC 0.97 0 Anodyne ref BCAARN NC(=O)C1CCN(c2ccccc2N)CC1 O=c1[nH]c(CN2CCNCC2)nc2ccccc12 ZINC000022797894 05/47/98/343054798 XNFJHMZAAZCLKJ-UHFFFAOYSA-N 1 244.298 BC 0.328 0 Anodyne ref BCAARO O=c1[nH]c(CN2CC[NH2+]CC2)nc2ccccc12 O=C(CN1CCNCC1)c1ccc(F)cc1 ZINC000022913372 05/65/80/343056580 GKVYVCOSTKZVOA-UHFFFAOYSA-N 1 222.263 BC 0.914 0 Anodyne ref BCAARO O=C(CN1CC[NH2+]CC1)c1ccc(F)cc1 O=c1cc(CN2CCNCC2)nc2ccccn12 ZINC000022935883 99/48/15/182994815 RQXHRIPUYWEVNQ-UHFFFAOYSA-N 1 244.298 BC 0.1 0 Anodyne ref BCAARO O=c1cc(CN2CC[NH2+]CC2)nc2ccccn12 O=c1[nH]c2cccc(Br)c2[nH]c1=O ZINC000026506853 81/25/36/345812536 XGRHGWRYKQGDJS-UHFFFAOYSA-N 0 241.044 BC 0.979 0 Anodyne ref BCABRN O=c1[nH]c2cccc(Br)c2[nH]c1=O CS(=O)(=O)Cc1ccc(C(=O)O)o1 ZINC000026507165 87/83/07/384878307 QNSYEJUUFPWONC-UHFFFAOYSA-N -1 204.203 BC 0.522 0 Anodyne ref BCAARM CS(=O)(=O)Cc1ccc(C(=O)[O-])o1 COC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000026507170 87/73/11/384877311 PAQNJRTUFCTIOY-UHFFFAOYSA-N 0 218.23 BC 0.611 0 Anodyne ref BCAARN COC(=O)c1ccc(CS(C)(=O)=O)o1 Nc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000026514552 77/64/65/181776465 FYDPWALPOADVMH-UHFFFAOYSA-N 0 218.216 BC 0.825 0 Anodyne ref BCAARN Nc1n[nH]c(-c2ccc3c(c2)OCCO3)n1 N/C(CCS(=O)(=O)c1ccccc1)=N/O ZINC000028051571 18/27/61/181182761 KCGJLEVFRBJXFH-UHFFFAOYSA-N 0 228.273 BC 0.597 0 Mild ref BCEARN N/C(CCS(=O)(=O)c1ccccc1)=N/O C[C@@]1(c2cccc(N)c2)NC(=O)NC1=O ZINC000032627922 23/90/24/343239024 JJFIISOFQBYREX-JTQLQIEISA-N -1 205.217 BC 0.323 3 Anodyne high BCAAHM C[C@@]1(c2cccc(N)c2)NC(=O)[N-]C1=O C[C@@]1(c2cccc(N)c2)NC(=O)NC1=O ZINC000032627922 23/90/21/343239021 JJFIISOFQBYREX-JTQLQIEISA-N 0 205.217 BC 0.323 0 Anodyne ref BCAARN C[C@@]1(c2cccc(N)c2)NC(=O)NC1=O C[C@]1(c2cccc(N)c2)NC(=O)NC1=O ZINC000032627924 17/53/57/385175357 JJFIISOFQBYREX-SNVBAGLBSA-N -1 205.217 BC 0.323 3 Anodyne high BCAAHM C[C@]1(c2cccc(N)c2)NC(=O)[N-]C1=O C[C@]1(c2cccc(N)c2)NC(=O)NC1=O ZINC000032627924 17/53/54/385175354 JJFIISOFQBYREX-SNVBAGLBSA-N 0 205.217 BC 0.323 0 Anodyne ref BCAARN C[C@]1(c2cccc(N)c2)NC(=O)NC1=O CCOC(=O)C[C@H](S)C(=O)OCC ZINC000034566141 23/39/20/170233920 KLXFSKITMRWDPM-LURJTMIESA-N 0 206.263 BC 0.801 0 Mild ref BCEARN CCOC(=O)C[C@H](S)C(=O)OCC CCOC(=O)C[C@@H](S)C(=O)OCC ZINC000034566142 23/22/97/170232297 KLXFSKITMRWDPM-ZCFIWIBFSA-N 0 206.263 BC 0.801 0 Mild ref BCEARN CCOC(=O)C[C@@H](S)C(=O)OCC Cc1nnnn1-c1ccccc1C(=O)O ZINC000036047729 45/36/86/180453686 QOIPJVLRQGAKQX-UHFFFAOYSA-N -1 204.189 BC 0.669 0 Anodyne ref BCAARM Cc1nnnn1-c1ccccc1C(=O)[O-] O=c1ccc(Cl)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000040162947 99/97/44/182999744 WHPXIXQVTVULOB-ZCFIWIBFSA-N 0 248.691 BC 0.256 0 Anodyne ref BCAARN O=c1ccc(Cl)nn1[C@@H]1CCS(=O)(=O)C1 O=c1ccc(Cl)nn1[C@H]1CCS(=O)(=O)C1 ZINC000040162948 39/73/40/343397340 WHPXIXQVTVULOB-LURJTMIESA-N 0 248.691 BC 0.256 0 Anodyne ref BCAARN O=c1ccc(Cl)nn1[C@H]1CCS(=O)(=O)C1 Cn1c(=O)c(/C(N)=N/O)cc2ccccc21 ZINC000040165808 81/11/56/345811156 DNYNBOFYWMBSPW-UHFFFAOYSA-N 0 217.228 BC 0.633 0 Mild ref BCEBRN Cn1c(=O)c(/C(N)=N/O)cc2ccccc21 N/C(=N\O)c1cc2cccc3c2n(c1=O)CC3 ZINC000040165812 18/17/17/181181717 SGLFPTSHDBMPAL-UHFFFAOYSA-N 0 229.239 BC 0.652 0 Mild ref BCEBRN N/C(=N\O)c1cc2cccc3c2n(c1=O)CC3