0 B12R1.77 COC(=O)c1c(cccn1)CBr WX630328 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.77 COC(=O)c1cccnc1C#N WX618549 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.77 COc1cccnc1C(=O)OC WXC01491 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.77 COc1ccncc1C(=O)OC WXC00990 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.308 CCNC(=O)c1ccccc1Br WX633149 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.308 CCNC(=O)c1ccccc1O WX645076 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.308 CCOC(=O)c1cnccc1C WX618177 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.308 CCOC(=O)c1cncnc1Cl WX618227 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.263 CCOC(=O)c1ccccc1CC#N WX618378 [0,1,0,0,0,0|1,0,1]=3 9 B14R1.939 COc1ccccc1C(=O)CCC#N WXC02898 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.7276 CCOC(=O)c1c(cccc1OC)C WX618485 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.316 CCc1c(nco1)C(=O)OCC WXC02758 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.53 COc1cnccc1C(=O)O WX613412 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.222 CCC(=O)c1ccccc1Br WX626030 [2,0,0,0,0,0|1,0,0]=3 14 B11R1.222 CCC(=O)c1ccccc1Cl WXC00823 [2,0,0,0,0,0|1,0,0]=3 15 B11R1.222 COC(=O)c1ccc[nH]c1=O WX618226 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.222 COC(=O)c1ccncc1Cl WX632025 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.222 COC(=O)c1ccncc1F WXC00989 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.222 COC(=O)c1ccncc1O WX649041 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.222 Cc1cccnc1C(=O)OC WX618463 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl WX631003 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.222 c1ccc(c(c1)C(=O)CCl)N WX631029 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 CCOC(=O)c1cnccn1 WX618267 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.107 COC(=O)c1cccc(c1CBr)Br WX630118 [1,1,0,0,0,0|2,0,0]=4 24 B13R1.382 COC(=O)c1ccccc1CC#N WXC03123 [1,1,0,0,0,0|1,0,1]=4 25 B13R1.547 CC(=O)c1ccccc1C(=O)OC WX626087 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.2065 COC(=O)c1ccc(cc1C#N)Br WX633110 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br WX630047 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.2209 CNc1cnc(cc1C(=O)OC)Cl WXC02010 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.2357 COc1cccc(c1C(=O)OC)N WXC00997 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.12 CCOC(=O)c1ccnc(c1C)Cl WX636319 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.446 CCOC(=O)c1c(ccc(n1)Br)N WX609175 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.446 CCOC(=O)c1cc(cnc1C)N WXC02296 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.446 CCOC(=O)c1cc(ncc1C)Cl WXC03701 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.1511 CCOC(=O)c1ccc(cc1C)Br WX618111 [1,1,0,0,0,0|0,0,0]=2 35 B13R1.1511 CCOC(=O)c1ccc(nc1C)Cl WX636263 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl WX636143 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.4453 CCOC(=O)c1c(cncc1Br)F WXC02043 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.4453 CCOC(=O)c1c(cncc1F)C WXC02042 [1,1,0,0,0,0|1,0,0]=3 39 B15R1.1274 CCOC(=O)Cc1ccccc1[N+](=O)[O-] WX618046 [0,1,0,0,0,1|1,0,1]=4 40 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)C WX626008 [0,1,0,0,0,1|1,0,0]=3 41 B15R1.10569 CCOC(=O)c1cnc(cc1N(C)C)Cl WXC00224 [0,2,0,0,0,0|1,0,0]=3 42 B15R1.10554 CCOC(=O)c1cnc(nc1NC)SC WX690268 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.42 CCOC(=O)\C=C\c1ccccn1 WXC02648 [0,0,1,1,0,0|2,0,0]=4 44 B13R1.42 CCOC(=O)\C=C\c1cccnc1 WXC02649 [0,0,1,1,0,0|0,0,2]=4 45 B13R1.466 CCOC(=O)c1ccc(c(c1)C)I WX634016 [0,0,1,1,0,0|2,0,0]=4 46 B13R1.466 CCOC(=O)c1ccc(c(c1)C)N WX602015 [0,0,1,1,0,0|2,0,0]=4 47 B13R1.47 CCOC(=O)C(=C)c1ccccc1 WXC01707 [0,0,1,1,0,0|1,0,1]=4 48 B13R2.582 COc1cccc2c1C(=O)CC2 WX626053 [1,0,0,1,0,0|1,0,0]=3 49 B13R2.2931 Cn1cc(c2c1cccc2)CN WX603103 [1,0,0,1,0,0|2,0,0]=4 50 B13R2.2931 Cn1cc(c2c1cccc2)CO WX640011 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.5252 c1ccc2c(c1)C(=O)NCCO2 WX619191 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.18 Cc1ccccc1C2OCCO2 WX620002 [1,0,0,1,0,0|0,0,2]=4 53 B13R2.328 CC1CC(=O)c2ccccc2N1 WX602052 [1,0,0,1,0,0|1,0,0]=3 54 B13R2.4818 Cc1cccc2c1C(=O)CCN2 WX626050 [1,0,0,1,0,0|2,0,0]=4 55 B15R2.7340 CN1c2ccccc2C(=O)NCC1=O WX619035 [0,1,0,1,0,0|1,0,1]=4 56 B11R1.199 CCOC(=O)c1c(nc[nH]1)C WX618483 [1,0,0,0,1,0|2,0,0]=4 57 B11R1.199 CCOC(=O)c1c(ncs1)N WX606076 [1,0,0,0,1,0|2,0,0]=4 58 B11R1.199 CCOC(=O)c1c(ocn1)C WX618211 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.199 CCOC(=O)c1c(scn1)C WX618474 [1,0,0,0,1,0|2,0,0]=4 60 B11R1.199 CCOC(=O)c1cc[nH]c1C WX618048 [1,0,0,0,1,0|1,0,0]=3 61 B11R1.199 CCOC(=O)c1ccnn1C WX618332 [1,0,0,0,1,0|2,0,0]=4 62 B11R1.199 CCOC(=O)c1cscc1C WX618132 [1,0,0,0,1,0|1,0,0]=3 63 B15R1.768 CCOC(=O)\C=C\c1ccccc1C#N WXC02701 [0,0,0,0,0,2|2,0,0]=4 64 B15R1.768 CCOC(=O)\C=C\c1ccccc1OC WXC02678 [0,0,0,0,0,2|1,0,0]=3