0 B8R1.1 CC1=CC(CO)=NO1 W5683 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC=C(C#N)N1 2253AB [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 CC1=CC=C(C#N)S1 1306AC [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CC1=CC=C(CO)O1 Y8951 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=CN=C(C=O)N1 9102AC [0,0,0,0,0,0|2,0,2]=4 5 B8R1.1 CC1=CN=C(CO)S1 W4281 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.1 CC1=CSC(C#N)=N1 0220AA [0,0,0,0,0,0|1,0,1]=2 7 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.1 CC1=CSC(CO)=C1 Y9977 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 CC1=CSC(CO)=N1 Y5277 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.1 CC1=NC(C#N)=CS1 W4524 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 CC1=NC(C=O)=CS1 W4388 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=NC(CBr)=CS1 Y9993 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.1 CC1=NC(CN)=CS1 Y6880 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 CC1=NC(CN)=NO1 0086AD [0,0,0,0,0,0|3,0,0]=3 17 B8R1.1 CC1=NC(CO)=CS1 Y4033 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 CC1=NC=C(CO)S1 8183AB [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CC1=NN=C(CCl)O1 X2009 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CC1=NN=C(CN)O1 6665AE [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CC1=NN=C(CO)O1 8855AH [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CC1=NOC(CBr)=C1 Y8895 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.1 CC1=NOC(CCl)=N1 X2011 [0,0,0,0,0,0|2,1,0]=3 24 B8R1.1 CC1=NOC(CO)=C1 Y7569 [0,0,0,0,0,0|3,1,0]=4 25 B8R1.1 CCC1=NN=C(O)S1 3791AD [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CCC1=NSC(N)=N1 5658AD [0,0,0,0,0,0|3,0,0]=3 27 B8R1.1 CCN1C=C(N)C=N1 3909AC [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CCN1C=C[N+](C)=C1 4846AL [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CCN1C=C[N+](C)=C1 4847AL [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CCN1C=C[N+](C)=C1 4849AL [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CCN1C=C[N+](C)=C1 4850AL [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CCN1C=C[N+](C)=C1 7687AJ [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CCN1C=C[N+](C)=C1 7688AJ [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CN1C=CC(CN)=N1 Y5488 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 CN1C=NC(CO)=C1 Y7819 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CN1C=NC(CO)=N1 X9910 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 COC1=NC(Br)=CS1 Y5356 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.1 COC1=NSC(N)=N1 6852AC [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CSC1=NC(N)=NS1 6484AE [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 CSC1=NNC(Cl)=N1 4602AE [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CSC1=NSC(N)=N1 8207AE [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 ClCC1=CC=C(Cl)S1 Z4464 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 ClCC1=CSC(Cl)=N1 Y5458 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 ClCC1=NSC(Cl)=N1 9091AE [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 NC1=NC(CCl)=CS1 1241AC [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 NC1=NC(CCl)=CS1 W7244 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.1 NCC1=CC=C(Br)S1 Z6237 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.1 O=CC1=CC(I)=CS1 9807AA [0,0,0,0,0,0|3,0,1]=4 49 B8R1.1 OCC1=CC=C(Br)S1 X5386 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.1 OCC1=CC=C(Cl)S1 1513AC [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 OCC1=CSC(Br)=N1 W6686 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.1 C=CC1=NC=CS1 Y1855 [1,0,0,0,0,0|0,0,2]=3 53 B7R1.1 CCC1=CC=CN1 Y7642 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.1 CCC1=CSC=C1 X4152 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,0,0,0|1,0,2]=4 56 B7R1.1 CCC1=NN=NN1 Y5035 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 CCN1C=CC=C1 6758AE [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 CCN1C=NC=N1 8559AA [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 CNC1=NC=CS1 W7369 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.1 CSC1=CC=CS1 Z0707 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 CSC1=NC=CN1 5294AJ [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 CSC1=NC=CS1 R552 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 CSC1=NC=NN1 9053AE [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 ClCC1=CN=CS1 Z4079 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 ClCC1=CNC=N1 1651AB [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 ClCC1=CNC=N1 V5652 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 ClCC1=NC=CO1 X7958 [1,0,0,0,0,0|1,1,0]=3 68 B7R1.1 ClCC1=NOC=N1 X2943 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 N#CC1=NC=CN1 3456AB [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 NCC1=CC=CN1 X9903 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 NCC1=CN=CS1 W3518 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 NCC1=CN=CS1 Z3440 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 NCC1=COC=N1 Y6958 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 NCC1=CSC=N1 6554AH [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 NCC1=NC=CN1 6710AA [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 NCC1=NC=CS1 3144AC [1,0,0,0,0,0|1,0,0]=2 79 B7R1.1 NCC1=NC=CS1 W6779 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.1 NCC1=NNC=C1 W5849 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 NCC1=NNC=C1 X6524 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 NCC1=NOC=C1 5768AA [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 O=CC1=NC=CS1 0841AA [1,0,0,0,0,0|1,0,1]=3 84 B7R1.1 OCC1=CNC=N1 W8610 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 OCC1=COC=N1 V3523 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 OCC1=CSC=N1 X0268 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 OCC1=NC=CO1 5578AA [1,0,0,0,0,0|1,1,0]=3 88 B7R1.1 OCC1=NC=CS1 W3175 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.1 OCC1=NOC=C1 Z5286 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 OCN1C=CC=N1 X8992 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 SCC1=CC=CO1 Z5487 [1,0,0,0,0,0|2,1,0]=4 92 B7R1.1 SCC1=CC=CS1 7988AJ [1,0,0,0,0,0|2,0,0]=3 93 B7R1.2 CC1=CC=C(C)N1 9441AB [1,0,0,0,0,0|1,0,1]=3 94 B7R1.2 CC1=CC=C(I)S1 Z5470 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=CN=C(Cl)S1 W5507 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.2 CC1=CN=C(I)N1 1451AC [1,0,0,0,0,0|2,0,1]=4 97 B7R1.2 CC1=CNC(Br)=N1 Y8369 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.2 CC1=COC(N)=N1 W5715 [1,0,0,0,0,0|1,1,0]=3 99 B7R1.2 CC1=CSC(Br)=C1 7530AB [1,0,0,0,0,0|2,0,0]=3 100 B7R1.2 CC1=CSC(Br)=N1 W8107 [1,0,0,0,0,0|1,0,0]=2 101 B7R1.2 CC1=CSC(C)=C1 X6352 [1,0,0,0,0,0|1,0,0]=2 102 B7R1.2 CC1=CSC(Cl)=N1 Y8510 [1,0,0,0,0,0|1,0,0]=2 103 B7R1.2 CC1=CSC(N)=N1 9210AB [1,0,0,0,0,0|1,0,0]=2 104 B7R1.2 CC1=NC(=S)NN1 8794AE [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 CC1=NC(Br)=CS1 X4179 [1,0,0,0,0,0|1,0,0]=2 106 B7R1.2 CC1=NC(Br)=NO1 2584AD [1,0,0,0,0,0|2,1,0]=4 107 B7R1.2 CC1=NC(I)=CN1 W8177 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.2 CC1=NC(N)=NO1 5458AB [1,0,0,0,0,0|2,1,0]=4 109 B7R1.2 CC1=NN=C(C)S1 5370AL [1,0,0,0,0,0|3,0,0]=4 110 B7R1.2 CC1=NSC(Br)=C1 0520AB [1,0,0,0,0,0|3,0,0]=4 111 B7R1.2 CC1=NSC(Cl)=N1 W4503 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.2 CN1C=CC(Br)=N1 W3298 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.2 CN1C=CC(I)=N1 X5406 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 CN1N=CC(Br)=N1 8494AA [1,0,0,0,0,0|3,0,0]=4 115 B7R1.2 ClC1=NC(Br)=NS1 X6378 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.2 NC1=CSC(N)=N1 Z5019 [1,0,0,0,0,0|2,0,0]=3 117 B7R1.2 NC1=NC(O)=CS1 Z1669 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.2 NC1=NSC(N)=N1 0930AE [1,0,0,0,0,0|3,0,0]=4 119 B7R1.2 O=C1NC(Br)=CS1 1719AA [1,0,0,0,0,0|2,0,1]=4 120 B9R1.7 CC1=NC(CCO)=CS1 5194AJ [0,1,0,0,0,0|2,0,0]=3 121 B9R1.7 CCSC1=NNC(N)=N1 4666AE [0,1,0,0,0,0|3,0,0]=4 122 B9R1.7 CCSC1=NSC(N)=N1 8208AE [0,1,0,0,0,0|3,0,0]=4 123 B9R1.7 CNCC1=CC=C(C)O1 7273AA [0,1,0,0,0,0|2,0,0]=3 124 B9R1.7 N#CCC1=NC(=O)CS1 9075AE [0,1,0,0,0,0|1,0,2]=4 125 B9R1.7 NC1=NN(CCO)C=C1 Z5168 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.7 NCCC1=CC=C(Br)S1 1208AJ [0,1,0,0,0,0|3,0,0]=4 127 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [0,1,0,0,0,0|2,0,1]=4 128 B9R1.21 CCC1=NOC(CO)=C1 4493AD [0,1,0,0,0,0|3,0,0]=4 129 B9R1.21 CCN1C=C(CN)C=N1 0829AF [0,1,0,0,0,0|3,0,0]=4 130 B9R1.21 CCN1C=C(CO)C=N1 5070AC [0,1,0,0,0,0|3,0,0]=4 131 B9R1.22 CC1=CC(C)=NN1CO Z2308 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.22 CC1=NC(CO)=C(C)O1 Y4729 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.23 CC1=C(Br)SC(C=O)=C1 V4026 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.23 CC1=C(C)SC(C=O)=N1 Z5093 [0,1,0,0,0,0|1,0,1]=3 135 B9R1.23 CCC1=NC(C)=C(Br)S1 V8182 [0,1,0,0,0,0|0,0,0]=1 136 B9R1.23 CCC1=NC(C)=C(C)S1 3820AC [0,1,0,0,0,0|0,0,0]=1 137 B9R1.23 CCN1C=C(N)C(C)=N1 0180AD [0,1,0,0,0,0|2,0,0]=3 138 B9R1.23 CCN1C=C(N)C(C)=N1 6278AC [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 CC(=O)C1=CSC(C)=N1 7831AD [0,1,0,0,0,0|2,0,1]=4 140 B9R1.35 CC(=O)C1=NC(C)=CS1 0755AQ [0,1,0,0,0,0|0,0,1]=2 141 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.35 CC(C)C1=NC(Br)=CS1 V5583 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.35 CC(C)C1=NC(N)=NN1 7802AD [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 CC(C)C1=NSC(N)=N1 3533AB [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 CC(C)N1C=CC(N)=N1 0847AF [0,1,0,0,0,0|3,0,0]=4 146 B9R1.35 CC1=CSC(C(=O)O)=C1 Z0185 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.35 CC1=CSC(C(=O)O)=N1 X0105 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.35 CC1=CSC(C(C)N)=N1 3800AD [0,1,0,0,0,0|0,0,0]=1 149 B9R1.35 CC1=CSC(C(N)=O)=C1 Y4172 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.1 C=CC1=CN=C(C)C=C1 Q615 [0,0,0,0,0,1|1,0,2]=4 151 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [0,0,0,0,0,1|3,0,0]=4 152 B9R1.1 CC1=CN=C(C#N)C=C1 W3530 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [0,0,0,0,0,1|2,0,1]=4 154 B9R1.1 CC1=CN=C(C=O)C=N1 Y9267 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.1 CC1=CN=C(CCl)C=C1 Y5002 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [0,0,0,0,0,1|2,0,0]=3 157 B9R1.1 CC1=NC=C(C=O)C=C1 W6750 [0,0,0,0,0,1|2,0,1]=4 158 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.1 CC1=NC=C(CO)C=N1 P435 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.1 CC1=NC=C(NN)C=C1 W9248 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.1 CCC1=CC=C(Br)N=C1 0198AB [0,0,0,0,0,1|2,0,0]=3 162 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [0,0,0,0,0,1|3,0,0]=4 163 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.1 CCC1=CN=C(N)C=C1 Y5080 [0,0,0,0,0,1|2,0,0]=3 165 B9R1.1 CCC1=NC=C(Br)C=C1 W5934 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.1 CNC1=CN=C(Cl)C=C1 3620AA [0,0,0,0,0,1|3,0,0]=4 167 B9R1.1 CNC1=NC=C(Br)C=C1 W8725 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.1 CNC1=NC=C(Br)C=N1 Z4584 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.1 CNC1=NC=C(F)C=C1 Z2980 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.1 CNC1=NN=C(Cl)C=C1 W3263 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.1 COC1=CN=C(Br)C=N1 X3205 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.1 COC1=CN=C(F)C=C1 Z0149 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.1 COC1=CN=C(I)C=C1 V3638 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.1 COC1=CN=C(N)C=C1 X3522 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.1 COC1=CN=C(N)C=N1 W6835 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.1 COC1=NC=C(Cl)C=N1 9535AJ [0,0,0,0,0,1|3,0,0]=4 178 B9R1.1 COC1=NC=C(F)C=C1 C523 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.1 COC1=NC=C(N)C=N1 W7025 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.1 COC1=NC=C(O)C=N1 5238AC [0,0,0,0,0,1|3,0,0]=4 181 B9R1.1 CSC1=CC=C(C)C=C1 I356 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.1 CSC1=CN=C(Br)C=N1 X3206 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [0,0,0,0,0,1|3,0,0]=4 184 B9R1.1 CSC1=NC=C(Br)C=N1 V0788 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.1 ClC1=NC=C(CBr)C=C1 X4352 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [0,0,0,0,0,1|3,0,0]=4 187 B9R1.1 ClCC1=NN=C(Cl)C=C1 Z2720 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.1 NCC1=CC=C(Br)N=C1 X9441 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.1 NCC1=CC=C(N)C=N1 2034AC [0,0,0,0,0,1|3,0,0]=4 191 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [0,0,0,0,0,1|3,0,0]=4 192 B9R1.1 NCC1=CN=C(F)C=C1 0174AP [0,0,0,0,0,1|3,0,0]=4 193 B9R1.1 NCC1=NC=C(Cl)C=C1 Y9067 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.1 OCC1=NC=C(Br)C=N1 Z4443 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.1 OCC1=NC=C(Cl)C=C1 Y8215 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.1 OCC1=NC=C(Cl)N=C1 W8125 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.1 OCC1=NC=C(F)C=C1 W8534 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.2 C#CC1=CC=CC(C)=N1 3183AB [0,0,0,0,0,1|1,0,2]=4 199 B9R1.2 C=CC1=NC(C)=CC=C1 2157AA [0,0,0,0,0,1|1,0,2]=4 200 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.2 CC1=CC(CN)=NC=C1 4854AH [0,0,0,0,0,1|3,0,0]=4 202 B9R1.2 CC1=CC=CC(CCl)=N1 W5316 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.2 CC1=CC=CC(CN)=N1 W7727 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.2 CC1=CN=CC(CCl)=C1 X8521 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.2 CC1=CN=CC(CO)=C1 W9908 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.2 CC1=NC(CCl)=CC=C1 W9926 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.2 CC1=NC(CN)=CC=C1 3382AC [0,0,0,0,0,1|2,0,0]=3 208 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,0,0,0,0,1|2,0,0]=3 209 B9R1.2 CC1=NC=CC(C#N)=N1 9887AB [0,0,0,0,0,1|2,0,1]=4 210 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [0,0,0,0,0,1|2,0,1]=4 211 B9R1.2 CC1=NC=CC(CO)=C1 X8748 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.2 CCC1=CN=CC(Br)=C1 W3099 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [0,0,0,0,0,1|2,0,0]=3 214 B9R1.2 CNC1=CC=CC(Cl)=N1 4697AC [0,0,0,0,0,1|3,0,0]=4 215 B9R1.2 CNC1=NC(Br)=CC=C1 V8759 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.2 CNC1=NC(Cl)=CN=C1 W8751 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.2 CNC1=NC(Cl)=NC=C1 0156AC [0,0,0,0,0,1|3,0,0]=4 218 B9R1.2 CNC1=NC=CC(Br)=N1 X9458 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.2 CNC1=NC=CC(Cl)=N1 W4616 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.2 COC1=CC(C)=NC=C1 V4613 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.2 COC1=CC=CC(F)=N1 Z7765 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.2 COC1=CC=NC(Br)=N1 W9686 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.2 COC1=CN=CC(Cl)=N1 W5506 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.2 COC1=CN=CC(I)=N1 V6755 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.2 COC1=CN=CC(N)=N1 W7894 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.2 COC1=NC(I)=CC=C1 9558AA [0,0,0,0,0,1|3,0,0]=4 227 B9R1.2 COC1=NC(I)=NC=C1 W4966 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.2 COC1=NC=CC(Br)=N1 W9793 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.2 COC1=NC=CC(C)=N1 Y3214 [0,0,0,0,0,1|2,0,0]=3 230 B9R1.2 COC1=NC=CC(N)=N1 W5463 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.2 CSC1=CC=CC(Br)=N1 Y9968 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.2 CSC1=NC(Cl)=NC=C1 Y5452 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.2 CSC1=NC=CC(I)=N1 Y7068 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.2 CSC1=NC=CC(O)=N1 Z4020 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.2 CSC1=NC=NC(N)=N1 8937AD [0,0,0,0,0,1|3,0,0]=4 236 B9R1.2 ClCC1=CC=CC(Br)=N1 5484AJ [0,0,0,0,0,1|3,0,0]=4 237 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.2 NC1=CC=CC(CO)=N1 2443AC [0,0,0,0,0,1|3,0,0]=4 239 B9R1.2 NCC1=NC(Cl)=CC=C1 9828AA [0,0,0,0,0,1|3,0,0]=4 240 B9R1.2 OCC1=CC=CC(F)=N1 V5103 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.2 OCC1=NC(Cl)=CN=C1 Z4013 [0,0,0,0,0,1|3,0,0]=4 242 B6R0.1 C=COC(=O)CC 7389AF [1,0,1,0,0,0|1,1,0]=4 243 B6R0.1 C\C=C\C(=O)CC 2730AL [1,0,1,0,0,0|1,0,0]=3 244 B6R0.4 CCCSC(C)=O R568 [1,0,1,0,0,0|1,0,1]=4 245 B6R0.6 C\C=C\C=C\CO X5865 [1,0,1,0,0,0|2,0,0]=4 246 B6R0.9 CC=C(CC)CC 6043AL [1,0,1,0,0,0|1,0,1]=4 247 B6R1.2 CC1=CN=CS1 W5735 [2,0,0,0,0,0|2,0,0]=4 248 B6R1.2 CC1=COC=N1 Z5040 [2,0,0,0,0,0|0,1,0]=3 249 B6R1.2 CC1=NCCS1 5709AL [2,0,0,0,0,0|0,0,2]=4 250 B6R1.2 CC1=NN=CO1 Z4625 [2,0,0,0,0,0|1,1,0]=4 251 B6R1.2 ClC1=CNC=N1 W3465 [2,0,0,0,0,0|2,0,0]=4 252 B6R1.2 ClC1=NC=NS1 W5914 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 ClC1=NN=CS1 7474AB [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 NC1=CSC=C1 2074AB [2,0,0,0,0,0|2,0,0]=4 255 B6R1.2 NC1=CSC=C1 W8854 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 NC1=NC=CN1 V6725 [2,0,0,0,0,0|2,0,0]=4 257 B6R1.2 NC1=NC=CN1 Z4665 [2,0,0,0,0,0|2,0,0]=4 258 B6R1.2 NC1=NC=NS1 V2374 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 S=C1SC=CS1 Z2256 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.7 CC(=O)C1=NC=CN1 5223AE [1,1,0,0,0,0|1,0,1]=4 261 B8R1.7 CC(C)C1=CC=CO1 U090 [1,1,0,0,0,0|1,1,0]=4 262 B8R1.7 CC(N)C1=NC=CS1 V9472 [1,1,0,0,0,0|0,0,0]=2 263 B8R1.7 CC(N)C1=NC=CS1 W6267 [1,1,0,0,0,0|0,0,0]=2 264 B8R1.8 CCCC1=NC=CS1 9241AA [1,1,0,0,0,0|0,0,0]=2 265 B8R1.8 CCCN1C=CC=N1 Z0507 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.8 CNCC1=CC=CS1 V7562 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.8 CNCC1=CC=CS1 W7142 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.8 CSCC1=CC=CO1 9711AJ [1,1,0,0,0,0|1,1,0]=4 269 B8R1.8 ClCCN1C=CC=N1 X5413 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.8 NCCC1=NC=CS1 Y1661 [1,1,0,0,0,0|0,0,0]=2 271 B8R1.8 NCCC1=NC=CS1 Y8064 [1,1,0,0,0,0|0,0,0]=2 272 B8R1.8 OCCC1=CNC=N1 W8955 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.8 OCCN1C=CC=N1 V7005 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.11 CN1C=CN=C1CCl 9984AA [1,1,0,0,0,0|2,0,0]=4 275 B8R1.11 OCC1=C(Br)C=CS1 1100AL [1,1,0,0,0,0|2,0,0]=4 276 B8R1.18 CC1=C(Br)N=C(Br)S1 Z3973 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.18 CC1=C(Br)NC(Br)=N1 V0763 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.18 CC1=C(C)SC(N)=N1 Y9901 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.18 CC1=C(C)SC(S)=N1 Y9375 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.18 CC1=C(I)NC(I)=N1 V1383 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.18 CC1=CC(C)=C(Br)S1 0587AQ [1,1,0,0,0,0|1,0,0]=3 282 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.18 CC1=NC(Br)=C(C)S1 V8938 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.18 CC1=NC(Br)=CN1C X4637 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.18 CC1=NC(C)=C(Br)S1 Y8561 [1,1,0,0,0,0|0,0,0]=2 286 B8R1.18 CC1=NC(C)=C(C)O1 0593AB [1,1,0,0,0,0|0,1,0]=3 287 B8R1.18 CC1=NN(C)C(Br)=C1 Y9520 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.18 CC1=NN(C)C=C1Br V6734 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.18 CC1=NN(C)C=C1I 7666AE [1,1,0,0,0,0|2,0,0]=4 290 B8R1.18 CC1=NN(C)C=C1N 0168AB [1,1,0,0,0,0|2,0,0]=4 291 B8R1.18 CC1=NN(C)C=C1N 9883AB [1,1,0,0,0,0|2,0,0]=4 292 B8R1.50 CC1=CSC(=S)N1O 6061AL [1,1,0,0,0,0|1,0,1]=4 293 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [0,1,0,0,0,1|2,0,0]=4 295 B10R1.1 CCOC1=CC=C(Cl)N=N1 8931AA [0,1,0,0,0,1|2,0,0]=4 296 B10R1.1 CCOC1=CN=C(Br)C=C1 V5913 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.1 CCOC1=CN=C(Br)C=N1 1348AA [0,1,0,0,0,1|2,0,0]=4 298 B10R1.1 CCOC1=CN=C(N)C=N1 W7623 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.1 CCOC1=NC=C(Br)C=N1 V3848 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.1 CCOC1=NC=C(Cl)N=C1 6462AA [0,1,0,0,0,1|2,0,0]=4 301 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,1,0,0,0,1|2,0,0]=4 302 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [0,1,0,0,0,1|2,0,0]=4 303 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.1 CNCC1=CN=C(C)N=C1 Z4024 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [0,1,0,0,0,1|2,0,0]=4 306 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [0,1,0,0,0,1|2,0,0]=4 307 B10R1.1 OCCC1=NC=C(Br)C=C1 3590AA [0,1,0,0,0,1|2,0,0]=4 308 B10R1.3 CCC1=CC=C(C=O)N=C1 5847AH [0,1,0,0,0,1|1,0,1]=4 309 B10R1.3 COC1=CC=C(CN)C=N1 8647AA [0,1,0,0,0,1|2,0,0]=4 310 B10R1.3 COC1=CN=C(CCl)C=C1 1704AC [0,1,0,0,0,1|2,0,0]=4 311 B10R1.3 COC1=CN=C(CN)C=C1 4773AJ [0,1,0,0,0,1|2,0,0]=4 312 B10R1.3 COC1=CN=C(CO)C=C1 X9716 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.3 COC1=NC=C(CCl)C=C1 0532AA [0,1,0,0,0,1|2,0,0]=4 314 B10R1.3 COC1=NC=C(CN)C=C1 3334AC [0,1,0,0,0,1|2,0,0]=4 315 B10R1.3 COC1=NC=C(CN)C=N1 6170AC [0,1,0,0,0,1|2,0,0]=4 316 B10R1.3 COC1=NN=C(OC)C=C1 Z0615 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.13 CC(=O)C1=CC=C(C)C=N1 7521AB [0,1,0,0,0,1|1,0,1]=4 318 B10R1.13 CC(C)C1=CC=C(N)C=N1 Z4708 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.13 CC(C)C1=NN=C(Cl)C=C1 Z4894 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.13 CC(O)C1=NC=C(Br)C=C1 8022AA [0,1,0,0,0,1|2,0,0]=4 321 B10R1.13 CC1=CC=C(C(C)N)C=C1 8708AB [0,1,0,0,0,1|2,0,0]=4 322 B10R1.13 CC1=NC=C(C(C)O)C=C1 0117AA [0,1,0,0,0,1|1,0,0]=3 323 B10R1.25 CC1=CC=C(CO)C(C)=N1 6029AE [0,1,0,0,0,1|2,0,0]=4 324 B10R1.25 CC1=CN=C(CCl)C(C)=C1 Z5081 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.25 CC1=CN=C(CO)C(C)=C1 0932AC [0,1,0,0,0,1|2,0,0]=4 326 B10R1.25 CCC1=CN=C(C)C=C1Br 6901AC [0,1,0,0,0,1|1,0,0]=3 327 B10R1.25 CCC1=NC=C(C)N=C1C 6750AA [0,1,0,0,0,1|1,0,0]=3 328 B10R1.25 COC1=CC=C(C)N=C1Br Y8405 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.25 COC1=CC=C(C)N=C1N X3671 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.25 COC1=NC=C(C)C=C1Br W9936 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.176 CCC1=CN=C(C)C(C)=N1 L039 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.176 CSC1=NC=C(C)C(=O)N1 0586AB [0,1,0,0,0,1|2,0,0]=4 333 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 Z4940 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.2 CCC1=CC=CC(C)=C1O 5046AH [0,1,0,0,0,1|2,0,0]=4 335 B10R1.8 CC1=CC(C)=NC(CCl)=N1 Z5092 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 X5150 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.8 CCC1=CC(O)=NC(N)=N1 X5149 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.8 CCC1=NC(C)=NC(O)=C1 W6726 [0,1,0,0,0,1|1,0,0]=3 339 B10R1.8 CCC1=NC(Cl)=NC(Cl)=N1 8362AE [0,1,0,0,0,1|2,0,0]=4 340 B10R1.8 CCC1=NC(O)=CC(O)=N1 Z4666 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.8 CNC1=NC(C)=NC(Cl)=C1 5662AE [0,1,0,0,0,1|2,0,0]=4 342 B10R1.8 COC1=CC(Cl)=NC(C)=N1 Z5294 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.8 COC1=NC(C)=CC(C)=N1 Y4918 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.8 COC1=NC(C)=CC(Cl)=N1 Z2846 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.8 COC1=NC(C)=CC(N)=C1 Z1939 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.8 CSC1=NC(C)=CC(I)=N1 5428AD [0,1,0,0,0,1|2,0,0]=4 347 B10R1.8 CSC1=NC(C)=CC(O)=N1 Z2590 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,1,0,0,0,1|2,0,0]=4 349 B10R1.10 CCOC1=CC=CC(Br)=N1 Y5031 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.10 CCSC1=NC(N)=NC=N1 7730AC [0,1,0,0,0,1|2,0,0]=4 351 B10R1.10 CCSC1=NC=CC(N)=N1 5302AE [0,1,0,0,0,1|2,0,0]=4 352 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [0,1,0,0,0,1|2,0,0]=4 353 B10R1.10 OCCC1=NC(Br)=CC=C1 X5060 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.30 CC1=CC=C(O)C(CO)=N1 5804AB [0,1,0,0,0,1|2,0,0]=4 355 B10R1.30 CCC1=C(O)C=CC(C)=N1 R736 [0,1,0,0,0,1|1,0,0]=3 356 B10R1.30 COC1=NC(C)=CC=C1Br V7464 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.30 COC1=NC(C)=CN=C1N 4807AC [0,1,0,0,0,1|2,0,0]=4 358 B10R1.113 CC(C)C1=CC=CC(Br)=N1 Z6690 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.113 CC(O)C1=NC(Br)=CC=C1 Z4144 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.113 CC1=CC(C(C)N)=CC=C1 8402AE [0,1,0,0,0,1|2,0,0]=4 361 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 W3022 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,1,0,0,0,1|2,0,0]=4 363 B10R1.113 CC1=NC(C(F)F)=CC=C1 7707AC [0,1,0,0,0,1|2,0,0]=4 364 B10R1.172 BrCC1=CC=CC(CBr)=N1 2013AC [0,1,0,0,0,1|2,0,0]=4 365 B10R1.172 CCC1=CC=CC(CC)=N1 Y4757 [0,1,0,0,0,1|1,0,0]=3 366 B10R1.172 CCC1=NC(C=O)=CC=C1 7707AA [0,1,0,0,0,1|1,0,1]=4 367 B10R1.172 COC1=CC=CC(CCl)=N1 Z5212 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.172 COC1=CC=CC(CN)=N1 Y8127 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.172 COC1=CC=CC(CO)=N1 Z4969 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.172 COC1=NC=NC(OC)=N1 5308AL [0,1,0,0,0,1|2,0,0]=4 371 B10R1.14 CCC(=O)C1=CC=C(C)O1 Z5437 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.14 COC(=O)C1=CC(C)=CS1 9170AD [0,2,0,0,0,0|1,0,1]=4 373 B10R1.14 COC(=O)C1=NC(Br)=CS1 7654AC [0,2,0,0,0,0|1,0,1]=4 374 B10R1.14 COC(=O)C1=NC(C)=CS1 W3177 [0,2,0,0,0,0|0,0,1]=3 375 B10R1.16 CC1=CC=C(CCC=O)O1 4225AB [0,2,0,0,0,0|2,0,0]=4 376 B10R1.54 CC(=O)NC1=NC(C)=CS1 W8155 [0,2,0,0,0,0|0,0,1]=3 377 B10R1.54 CC1=CSC(NC(=N)N)=N1 7207AC [0,2,0,0,0,0|1,0,1]=4 378 B10R1.130 CC1=CC(C)=NN1CCO 6741AD [0,2,0,0,0,0|2,0,0]=4 379 B10R1.31 CC(C)C1=NC(C=O)=CO1 5073AH [0,2,0,0,0,0|0,1,1]=4 380 B10R1.31 CC(C)C1=NC(C=O)=CS1 Y5266 [0,2,0,0,0,0|0,0,1]=3 381 B10R1.31 CC(C)C1=NC(CCl)=CS1 V5796 [0,2,0,0,0,0|0,0,0]=2 382 B10R1.31 CC(C)C1=NC(CO)=CS1 Y5265 [0,2,0,0,0,0|0,0,0]=2 383 B10R1.31 CC(C)C1=NC=C(CN)S1 Z2044 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.31 CSC1=NC(C(=O)O)=CS1 2804AF [0,2,0,0,0,0|1,0,1]=4 385 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 9829AE [0,2,0,0,0,0|1,0,1]=4 386 B10R1.55 CC1=NC(C(C)(C)C)=CS1 4925AD [0,2,0,0,0,0|2,0,0]=4 387 B10R1.55 C[Si](C)(C)C1=NC(Br)=CS1 8475AC [0,2,0,0,0,0|1,1,0]=4 388 B8R1.4 CC1=NC(S)=NC=C1 Y3212 [0,0,1,1,0,0|1,0,1]=4 389 B8R1.4 CC1=NC(S)=NC=C1 Y3213 [0,0,1,1,0,0|1,0,1]=4 390 B8R1.4 CC1=NC(S)=NC=C1 Z2576 [0,0,1,1,0,0|1,0,1]=4 391 B6R0.3 C=C(C)C(=O)NC 3763AL [0,0,1,0,1,0|1,1,0]=4 392 B6R0.3 CCC(=O)C(C)=O 7386AF [0,0,1,0,1,0|1,1,0]=4