0 B12R1.308 CCNC(=O)c1ccccc1Br WX633149 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.308 CCNC(=O)c1ccccc1O WX645076 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.308 CCOC(=O)c1cnccc1C WX618177 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.308 CCOC(=O)c1cncnc1Cl WX618227 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 CCOC(=O)c1cnccn1 WX618267 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.16 c1ccc(cc1)C(=O)CC#N WX683081 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.222 CCC(=O)c1ccccc1Br WX626030 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.222 CCC(=O)c1ccccc1Cl WXC00823 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.222 COC(=O)c1ccc[nH]c1=O WX618226 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.222 COC(=O)c1ccncc1Cl WX632025 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.222 COC(=O)c1ccncc1F WXC00989 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.222 COC(=O)c1ccncc1O WX649041 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.222 Cc1cccnc1C(=O)OC WX618463 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl WX631003 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.222 c1ccc(c(c1)C(=O)CCl)N WX631029 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.12 CCOC(=O)C1=C(C(=O)NCC1)O WX618230 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.12 CCOC(=O)c1ccnc(c1C)Cl WX636319 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.446 CCOC(=O)c1c(ccc(n1)Br)N WX609175 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.446 CCOC(=O)c1cc(cnc1C)N WXC02296 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.446 CCOC(=O)c1cc(ncc1C)Cl WXC03701 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.1511 CCOC(=O)c1ccc(cc1C)Br WX618111 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.1511 CCOC(=O)c1ccc(nc1C)Cl WX636263 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl WX636143 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.4453 CCOC(=O)c1c(cncc1Br)F WXC02043 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.4453 CCOC(=O)c1c(cncc1F)C WXC02042 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.4453 CCOC(=O)c1c(ncnc1Cl)Cl WX636281 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.1 c1ccc2c(c1)c(no2)CCBr WX630213 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.18 Cc1ccccc1C2OCCO2 WX620002 [0,0,0,1,0,0|1,0,2]=4 28 B13R2.328 CC1CC(=O)c2ccccc2N1 WX602052 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.4818 Cc1cccc2c1C(=O)CCN2 WX626050 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.5252 c1ccc2c(c1)C(=O)NCCO2 WX619191 [0,0,0,1,0,0|1,0,0]=2 31 B11R1.199 CCOC(=O)c1c(c[nH]n1)Br WX637154 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.199 CCOC(=O)c1c(c[nH]n1)Cl WX636240 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.199 CCOC(=O)c1c(nc[nH]1)C WX618483 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.199 CCOC(=O)c1c(ncs1)N WX606076 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.199 CCOC(=O)c1c(ocn1)C WX618211 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.199 CCOC(=O)c1c(scn1)C WX618474 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.199 CCOC(=O)c1c(scn1)I WX638070 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.199 CCOC(=O)c1c[nH]nc1I WX618282 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.199 CCOC(=O)c1c[nH]nc1O WX649081 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.199 CCOC(=O)c1cc[nH]c1C WX618048 [0,0,0,0,1,0|2,0,0]=3 41 B11R1.199 CCOC(=O)c1ccnn1C WX618332 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.199 CCOC(=O)c1cscc1C WX618132 [0,0,0,0,1,0|2,0,0]=3 43 B10R1.15 COC(=O)c1ccncn1 WX618355 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.15 COC(=O)c1ncccn1 WXC01002 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.15 c1cnccc1C(=O)CBr WX631022 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.61 B(c1ccccc1O)(O)O WX650052 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.61 Cc1c(cccn1)C(=O)O WX614245 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.61 Cc1cccnc1C(=O)O WX619068 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.61 Cc1ccncc1C(=O)O WX614191 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.61 Cc1cnccc1C(=O)O WX614130 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.61 c1cncc(c1C(=O)O)F WX614062 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.16 CCOC(=O)c1ccc(nc1)N WXC01787 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.17 CCOC(=O)c1cc(ncn1)O WX618196 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.17 CCOC(=O)c1cc[nH]c(=O)c1 WX618310 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.17 CCOC(=O)c1ccnc(c1)Cl WXC02080 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.30 c1cc(cnc1)C(=O)CCCO WXC01993 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.30 c1ccnc(c1)C(=O)NCCBr WX630201 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.24 CCC(=O)c1cccc(c1C)F WXC00217 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.24 Cc1c(cccc1I)C(=O)OC WX618129 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.24 Cc1c(cccc1O)C(=O)OC WXC02365 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.24 Cc1c(ccnc1C(=O)OC)Br WXC02580 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.24 Cc1cccc(c1N)C(=O)OC WXC02674 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.77 COC(=O)c1c(cccn1)CBr WX630328 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.77 COC(=O)c1cccnc1C#N WX618549 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.77 COc1cccnc1C(=O)OC WXC01491 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.77 COc1ccncc1C(=O)OC WXC00990 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.354 CCC(=O)c1cc(ccc1O)Cl WX632004 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.354 COC(=O)c1cc(ccc1Br)F WX633146 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.354 COC(=O)c1cc(ccc1F)N WXC02806 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.354 COC(=O)c1cc(ccc1O)Br WX645042 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.354 COC(=O)c1cc(cnc1Cl)I WX636020 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.354 COC(=O)c1cc(cnc1O)I WX638009 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.354 COC(=O)c1cc(ncc1Br)Cl WX637101 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.354 Cc1ccc(cc1C(=O)OC)O WX645023 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.1703 CCC(=O)c1ccc(cc1F)Br WX633145 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.1703 COC(=O)c1ccc(cc1Br)Br WX633104 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.1703 COC(=O)c1ccc(cc1Cl)N WX602016 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.1703 COC(=O)c1ccc(cc1F)Br WX633100 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.1703 COC(=O)c1ccc(cc1N)F WXC00605 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.1703 COC(=O)c1ccc(cc1O)Cl WX618314 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.1703 COC(=O)c1ccc(nc1N)Cl WXC02573 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.1703 COC(=O)c1cnc(cc1N)Cl WXC00308 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br WX633105 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.1703 Cc1cc(ccc1C(=O)OC)O WXC01025 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br WX637097 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.3441 COC(=O)c1c(cccc1Br)N WX618009 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.3441 COC(=O)c1c(cccc1F)F WXC01350 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.3441 Cc1cccc(c1C(=O)OC)I WX634009 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.313 CCOC(=O)c1c(nc(s1)C)O WXC04202 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.313 CCOC(=O)c1cc(sc1N)C WX609176 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.1589 CCOC(=O)c1c(csc1N)C WX618008 [0,1,0,0,1,0|2,0,0]=4 95 B14R1.6823 CCOC(=O)Cc1ccc(cc1F)F WXC01400 [0,1,0,0,0,1|1,0,0]=3 96 B14R1.263 CCOC(=O)c1ccccc1CC#N WX618378 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.939 COc1ccccc1C(=O)CCC#N WXC02898 [0,2,0,0,0,0|1,0,1]=4 98 B14R1.7276 CCOC(=O)c1c(cccc1OC)C WX618485 [0,2,0,0,0,0|0,0,0]=2 99 B14R1.2523 c1cc(c(cc1F)F)C(=O)CCCCl WXC02428 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.7234 CCOC(=O)c1ccc(cc1Cl)C=O WX622055 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.7234 CCOC(=O)c1cnc(nc1O)SC WX618039 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.18811 CCOC(=O)c1c(cc(cc1F)Br)F WX618555 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.51 CCOC(=O)\C=C\c1ccsc1 WXC02608 [0,0,1,1,0,0|2,0,0]=4 104 B12R1.51 CCOC(=O)\C=C\c1cscn1 WXC02731 [0,0,1,1,0,0|2,0,0]=4 105 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 WX625030 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 WX604538 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.2028 C[C@@H]1c2ccccc2C(=O)N1 WX619181 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.24 CC1CNc2ccccc2O1 WX602053 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.32 c1ccc2c(c1)cc(o2)CO WX640356 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.1 c1ccc2c(c1)c(no2)CBr WX630337 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 WX633054 [1,0,0,1,0,0|2,0,0]=4 112 B14R2.4633 c1ccc(c(c1)C(=O)NC2CC2)N WXC02159 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)Cl WXC01141 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.29496 CC1(NC(=O)c2ccccc2O1)C WX619065 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.5637 c1cc2c(cc1N)C(=O)NCCO2 WX603152 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.1019 CCc1[nH]c(=O)c2ccccc2n1 WX619021 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.11 CCOC(=O)c1cc[nH]c1 WX618469 [1,0,0,0,1,0|1,0,0]=3 118 B10R1.11 CCOC(=O)c1cc[nH]n1 WX618308 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.11 CCOC(=O)c1cnc[nH]1 WX618277 [1,0,0,0,1,0|2,0,0]=4 120 B10R1.11 CCOC(=O)c1cocn1 WX618478 [1,0,0,0,1,0|2,0,0]=4 121 B10R1.149 COC(=O)c1c(cc[nH]1)Br WXC01617 [1,0,0,0,1,0|2,0,0]=4 122 B10R1.149 Cc1cc[nH]c1C(=O)OC WX618007 [1,0,0,0,1,0|2,0,0]=4 123 B14R1.598 CCOC(=O)\C=C\c1ccccc1Br WX618155 [0,0,0,0,0,2|1,0,0]=3 124 B14R1.598 CCOC(=O)\C=C\c1ccccc1Cl WXC02695 [0,0,0,0,0,2|1,0,0]=3