0 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.13 CC(C)=C1CC=C(Br)CC1 V2565 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 CC(C)C1=CC=C(O)C=N1 0499AA [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 W7245 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CC(N)C1=NC=C(Br)C=C1 3774AC [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC(N)C1=NC=C(F)C=C1 5402AC [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [0,0,0,0,0,0|2,0,1]=3 12 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [0,0,0,0,0,0|1,0,2]=3 15 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [0,0,0,0,0,0|0,0,2]=2 16 B10R1.13 CN(C)C1=NC=C(N)C=C1 Z8075 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,0,0,0,0,0|2,0,2]=4 22 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,0,0,0,0,0|1,0,2]=4 23 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 CC1=CN=C(CN)C=N1 N635 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,0,0,0,0,0|0,0,2]=3 28 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [1,0,0,0,0,0|2,0,1]=4 32 B9R1.1 COC1=CC=C(C)N=C1 8055AB [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [1,0,0,0,0,0|1,0,2]=4 37 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,0,0,0,0|2,0,1]=4 40 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 0840AB [0,1,0,0,0,0|1,0,2]=4 41 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O083 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.19 CC(C)(C)C1=CC=C(Br)N=C1 1609AJ [0,1,0,0,0,0|2,0,1]=4 43 B11R1.19 CC(C)(C)C1=CC=C(F)C=C1 V7377 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.19 CC(C)(C)C1CC=C(Br)CC1 V4569 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 5952AD [0,1,0,0,0,0|1,0,2]=4 46 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 V5764 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.19 CC(C)(O)C1=NC=C(Cl)C=C1 5454AB [0,1,0,0,0,0|2,0,1]=4 48 B11R1.21 CC(C)C1=CC(Br)=C(O)C=C1 6556AD [0,1,0,0,0,0|1,0,2]=4 49 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 3701AB [0,1,0,0,0,0|1,0,2]=4 50 B11R1.21 CC(C)C1=CC=C(Cl)C(Br)=C1 Z1055 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 2930AF [0,1,0,0,0,0|1,0,2]=4 52 B11R1.21 CC1=CC=C([C@H](C)N)C=C1Cl 3803AA [0,1,0,0,0,0|1,0,2]=4 53 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,1,0,0,0,0|1,0,2]=4 54 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,1,0,0,0,0|1,0,2]=4 55 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,0,0,0,0|1,0,2]=4 56 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,0,0,0,0|1,0,2]=4 57 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,0,0,0,0|1,0,2]=4 58 B11R1.166 CC1=CC(=O)[C@@H](C(C)C)CC1 3941AL [0,1,0,0,0,0|0,0,3]=4 59 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 7695AC [0,1,0,0,0,0|1,0,2]=4 60 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 6144AD [0,1,0,0,0,0|1,0,2]=4 61 B9R0.7 CC(C)C(=O)\C=C\N(C)C 5963AE [0,0,1,0,0,0|2,0,1]=4 62 B11R2.34 ClC1=CC=C(C2CC2)C=C1 V3884 [0,0,0,1,0,0|1,0,2]=4 63 B11R2.34 FC1=CC=C(C2CC2)C=C1 V3957 [0,0,0,1,0,0|1,0,2]=4 64 B9R1.35 CC(C)C1=CC(N)=NO1 Z2690 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.35 CC(C)C1=CN=C(Br)S1 Y7137 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.35 CC(C)C1=CSC(Br)=N1 Y6841 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.35 CC(C)C1=CSC(N)=N1 V7811 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.35 CC(C)C1=NC(Br)=CN1 3239AD [0,0,0,0,1,0|3,0,0]=4 69 B9R1.35 CC(C)N1C=NC(Br)=C1 6885AE [0,0,0,0,1,0|3,0,0]=4 70 B9R1.35 CC1=CC=C(C(C)N)O1 7302AE [0,0,0,0,1,0|2,0,1]=4 71 B9R1.35 CC1=CNC(C(C)C)=N1 1747AJ [0,0,0,0,1,0|2,0,0]=3 72 B9R1.35 CC1=NC(C(C)N)=CS1 0056AE [0,0,0,0,1,0|3,0,0]=4 73 B9R1.35 CC1=NNC(C(C)C)=C1 3767AD [0,0,0,0,1,0|2,0,0]=3 74 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,0,0,0,0,1|1,0,2]=4 75 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 2014AC [0,0,0,0,0,1|1,0,2]=4 76 B11R1.20 CC(C)NC1=CC=C(F)C=C1 W7991 [0,0,0,0,0,1|1,0,2]=4 77 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 3743AE [0,0,0,0,0,1|2,0,1]=4 78 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Z0614 [0,0,0,0,0,1|1,0,2]=4 79 B11R1.20 CC(C)OC1=NC=C(Br)N=C1 6588AC [0,0,0,0,0,1|3,0,0]=4 80 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 Z0473 [0,0,0,0,0,1|2,0,1]=4 81 B11R1.20 CC(C)OC1=NC=C(F)C=C1 Z9507 [0,0,0,0,0,1|2,0,1]=4 82 B11R1.20 CC(C)OC1=NC=C(I)C=C1 Z1054 [0,0,0,0,0,1|2,0,1]=4 83 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [1,0,1,0,0,0|0,0,1]=3 84 B10R0.93 CC(C)C(=O)CC(=O)C(C)C 6166AD [0,1,1,0,0,0|1,0,1]=4 85 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|0,0,2]=4 87 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [1,1,0,0,0,0|0,0,2]=4 89 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [1,1,0,0,0,0|1,0,1]=4 90 B10R1.25 CCC1=C(N)C=C(C)N=C1 7618AB [1,1,0,0,0,0|1,0,1]=4 91 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [1,1,0,0,0,0|0,0,2]=4 92 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.25 CCC1=CN=C(C)C=C1Br 6901AC [1,1,0,0,0,0|1,0,1]=4 94 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [1,1,0,0,0,0|0,0,2]=4 95 B10R1.176 CCC1=CN=C(C)C(Br)=C1 5301AH [1,1,0,0,0,0|1,0,1]=4 96 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.28 CC(C)(N)C1=CC=CC=N1 5199AJ [1,1,0,0,0,0|1,0,1]=4 99 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [1,1,0,0,0,0|0,0,2]=4 100 B10R1.113 CC(C)C1=CC=CC(N)=N1 W8437 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 6890AC [1,1,0,0,0,0|1,0,1]=4 102 B10R1.113 CC1=CC=CC(C(C)C)=C1 5135AE [1,1,0,0,0,0|0,0,2]=4 103 B10R1.14 CNC(C)C1=CC=C(C)S1 0044AD [0,1,0,0,1,0|1,0,1]=4 104 B10R1.31 CC(C)C1=CC(CN)=NO1 4803AD [0,1,0,0,1,0|2,0,0]=4 105 B10R1.31 CC(C)C1=NC(CN)=CS1 5025AC [0,1,0,0,1,0|2,0,0]=4 106 B10R1.31 CC(C)C1=NOC(CCl)=C1 7415AE [0,1,0,0,1,0|2,0,0]=4 107 B10R1.31 CC(C)N1C=C(CN)C=N1 3670AF [0,1,0,0,1,0|2,0,0]=4 108 B10R1.59 CC1=CC(C(C)N)=C(C)O1 9386AH [0,1,0,0,1,0|2,0,0]=4 109 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 7098AC [0,1,0,0,0,1|0,0,2]=4 110 B12R1.4 CC(C)OC1=CC=C(CO)C=N1 Z2084 [0,1,0,0,0,1|1,0,1]=4 111 B12R1.4 COC1=CC=C(NC(C)C)C=C1 8375AA [0,1,0,0,0,1|0,0,2]=4 112 B12R1.233 CC1=CC=C(OC(C)C)C(Br)=C1 Z0095 [0,1,0,0,0,1|0,0,2]=4 113 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 X6389 [0,2,0,0,0,0|0,0,2]=4 114 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 Z7923 [0,2,0,0,0,0|0,0,2]=4 115 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 V2375 [0,2,0,0,0,0|0,0,2]=4 116 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 3688AE [0,2,0,0,0,0|0,0,2]=4 117 B12R1.113 CC(C)C1=CC=C(CNN)C=C1 0542AD [0,2,0,0,0,0|0,0,2]=4 118 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 8973AE [0,2,0,0,0,0|0,0,2]=4 119 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 9751AE [0,2,0,0,0,0|0,0,2]=4 120 B12R1.23 CC1=CC=C(C(C)(C)C)C=C1Br 1607AJ [0,2,0,0,0,0|0,0,2]=4 121 B12R1.232 CC1=C(O)C=C(C(C)C)C(Br)=C1 1230AD [0,2,0,0,0,0|0,0,2]=4 122 B12R2.606 CC1=CC2=C(C=C1)NC(C)C2 1404AJ [0,0,0,1,0,1|0,0,2]=4 123 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 9971AH [0,1,0,1,0,0|0,0,2]=4 124 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,0,1,0,1,0|2,0,0]=4 125 B8R1.1 CC1=CNC(CO)=C1 4693AD [1,0,0,0,1,0|2,0,0]=4 126 B8R1.1 CC1=CSC(CN)=C1 Y6895 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.1 CCC1=CC=C(C)O1 8739AA [1,0,0,0,1,0|1,0,1]=4 128 B8R1.1 CSC1=CC(C)=CS1 Z0195 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.7 CC(N)C1=CC=CO1 7556AD [1,0,0,0,1,0|2,0,0]=4 130 B8R1.7 CC(N)C1=COC=C1 2007AB [1,0,0,0,1,0|2,0,0]=4 131 B8R1.7 CC(N)C1=CSC=C1 0073AD [1,0,0,0,1,0|2,0,0]=4 132 B8R1.7 CC(O)C1=CC=CN1 Z2357 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.7 CC(O)C1=COC=C1 3660AD [1,0,0,0,1,0|2,0,0]=4 134 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [1,0,0,0,0,1|2,0,0]=4