0 B8R1.8 BrCCC1=CC=CO1 1031AJ [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CNCC1=CC=NO1 4173AJ [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CNCC1=CNC=N1 0737AD [0,0,0,0,0,0|2,0,2]=4 3 B8R1.8 NCCC1=CON=C1 1755AJ [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 NCCN1C=CN=N1 5980AB [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 OCCC1=NC=CS1 4751AC [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 BrCC1=CC=NO1 0787AC [1,0,0,0,0,0|3,0,0]=4 7 B7R1.1 BrCC1=CN=CS1 Y7777 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.1 BrCC1=CNC=N1 2559AC [1,0,0,0,0,0|1,0,2]=4 9 B7R1.1 BrCC1=COC=C1 Z5546 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 CCC1=CCCC1 4839AL [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 CCC1=CNN=C1 5501AD [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 CCC1=CSC=N1 9240AA [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 CCC1=[C-]CC=C1 3755AB [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 CSC1=CC=CO1 3661AD [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 ClCC1=CN=CO1 8892AA [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 ClCC1=CN=CS1 Z3006 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 ClCC1=CNN=C1 8278AA [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 ClCC1=COC=N1 1964AC [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 ClCC1=NN=CO1 1392AC [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 NCC1=CC=NO1 5355AB [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 NCC1=CNN=C1 3378AA [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 NCC1=CON=C1 3103AA [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 NCC1=CON=C1 8976AA [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 NCC1=NC=CS1 Y9458 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 NNC1=NC=CN1 8326AH [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 NNC1=NN=NN1 2843AE [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 OCC1=CC=NS1 8796AA [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 OCC1=CN=NS1 3511AA [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 OCC1=NNN=C1 2970AC [1,0,0,0,0,0|2,0,1]=4 30 B9R1.7 CC1=CN(CCN)N=C1 7229AC [0,1,0,0,0,0|2,0,1]=4 31 B9R1.7 CC1=CN=C(CCN)S1 3258AF [0,1,0,0,0,0|2,0,1]=4 32 B9R1.7 CC1=NC(CCN)=CN1 4612AB [0,1,0,0,0,0|0,0,2]=3 33 B9R1.7 CC1=NC(CCN)=NN1 6359AB [0,1,0,0,0,0|1,0,2]=4 34 B9R1.7 CC1=NC=C(CCN)N1 3349AC [0,1,0,0,0,0|0,0,0]=1 35 B9R1.7 CC1=NN(CCN)C=C1 6993AE [0,1,0,0,0,0|2,0,1]=4 36 B9R1.7 CC1=NN=C(CCN)O1 1219AJ [0,1,0,0,0,0|2,0,0]=3 37 B9R1.7 CC1=NOC(CCN)=N1 4496AD [0,1,0,0,0,0|1,0,1]=3 38 B9R1.7 CC1=NOC(CCN)=N1 4497AD [0,1,0,0,0,0|1,0,1]=3 39 B9R1.7 CCCC1=CN=C(N)S1 5101AB [0,1,0,0,0,0|2,0,0]=3 40 B9R1.7 CCCC1=NC(N)=NO1 5513AD [0,1,0,0,0,0|2,0,1]=4 41 B9R1.7 CCCN1C=NC(Br)=C1 3912AD [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 COCC1=CN=C(N)S1 Y1638 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 NCCC1=CSC(N)=N1 4600AA [0,1,0,0,0,0|1,0,1]=3 44 B9R1.7 NCCC1=NN=C(N)S1 9144AE [0,1,0,0,0,0|2,0,0]=3 45 B9R1.7 NNCC1=CC=C(Cl)S1 1543AL [0,1,0,0,0,0|3,0,0]=4 46 B9R1.11 CC(CN)N1C=NC=N1 1307AF [0,1,0,0,0,0|1,0,1]=3 47 B9R1.11 CC(CO)N1C=NC=N1 9649AC [0,1,0,0,0,0|2,0,1]=4 48 B9R1.11 O=C(CBr)C1=CN=CS1 1590AJ [0,1,0,0,0,0|2,0,1]=4 49 B9R1.12 BrCCCN1C=CN=C1 4367AD [0,1,0,0,0,0|3,0,0]=4 50 B9R1.12 C#CCCC1=CNC=N1 1295AB [0,1,0,0,0,0|1,0,2]=4 51 B9R1.12 NCCCC1=CN=CN1 Y1963 [0,1,0,0,0,0|0,0,0]=1 52 B9R1.12 NCCCC1=NC=CN1 2918AE [0,1,0,0,0,0|2,0,0]=3 53 B9R1.12 NCCCN1C=NC=N1 Y9857 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.12 OCCCC1=CNC=N1 2192AL [0,1,0,0,0,0|1,0,2]=4 55 B9R1.13 CC(C)CC1=NC=CN1 6734AE [0,1,0,0,0,0|3,0,0]=4 56 B9R1.13 CC(N)CC1=NNC=C1 1362AL [0,1,0,0,0,0|2,0,1]=4 57 B9R1.13 NC(=O)CC1=CSC=N1 4708AE [0,1,0,0,0,0|1,0,2]=4 58 B9R1.13 NC(=S)CN1C=NC=N1 9317AJ [0,1,0,0,0,0|1,0,2]=4 59 B9R1.13 O=C(O)CC1=CN=CS1 7407AB [0,1,0,0,0,0|2,0,1]=4 60 B9R1.33 CN1C=NC=C1CNN 4618AC [0,1,0,0,0,0|1,0,0]=2 61 B9R1.33 CN1C=NC=C1N=C=O X6791 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.33 CNCC1=C(C)N=CS1 3248AF [0,1,0,0,0,0|3,0,0]=4 63 B9R1.33 NCCC1=C(Br)SC=C1 4754AC [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 C=CC\C=C\CCC 4639AL [0,0,1,0,0,0|3,0,0]=4 65 B9R2.2 C1=CN(C2CC2)C=N1 3906AD [0,0,0,1,0,0|3,0,0]=4 66 B9R2.2 C1=NNC(C2CC2)=N1 1040AD [0,0,0,1,0,0|2,0,1]=4 67 B9R2.3 C1=NC2=C(CNC2)S1 6289AJ [0,0,0,1,0,0|3,0,0]=4 68 B9R1.8 CNCC1=CC=NC=N1 4986AA [0,0,0,0,0,1|2,0,1]=4 69 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,0,0,0,0,1|3,0,0]=4 70 B9R1.8 ClCCC1=CC=NC=C1 2738AB [0,0,0,0,0,1|2,0,0]=3 71 B9R1.8 ClCCC1=CN=CC=C1 5261AB [0,0,0,0,0,1|2,0,0]=3 72 B9R1.8 N#CCC1=CN=NC=C1 9481AC [0,0,0,0,0,1|1,0,2]=4 73 B9R1.8 NCCC1=CN=CN=C1 3332AC [0,0,0,0,0,1|0,0,1]=2 74 B9R1.8 NCCC1=NC=CC=N1 4806AC [0,0,0,0,0,1|1,0,1]=3 75 B9R1.8 NCCC1=NC=NC=C1 1885AJ [0,0,0,0,0,1|0,0,1]=2 76 B9R1.8 NCCC1=NC=NC=C1 1886AJ [0,0,0,0,0,1|0,0,1]=2 77 B9R1.8 NNCC1=CC=CC=N1 4874AC [0,0,0,0,0,1|2,0,1]=4 78 B9R1.8 NNCC1=NC=CN=C1 1808AL [0,0,0,0,0,1|1,0,1]=3 79 B9R1.8 NNCC1=NC=CN=C1 5211AA [0,0,0,0,0,1|1,0,1]=3 80 B9R1.8 O=CCC1=CC=CN=C1 5877AB [0,0,0,0,0,1|2,0,1]=4 81 B9R1.8 OCCC1=NC=CC=N1 1887AJ [0,0,0,0,0,1|2,0,1]=4 82 B9R1.8 OCCC1=NC=NC=C1 0497AC [0,0,0,0,0,1|1,0,1]=3 83 B6R1.2 CC1=CNC=C1 W7383 [2,0,0,0,0,0|1,0,1]=4 84 B6R1.2 CC1=COC=C1 X5961 [2,0,0,0,0,0|2,0,0]=4 85 B6R1.2 ClC1=CN=CS1 5751AB [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 NC1=CC=CS1 9727AA [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 NC1=CC=CS1 Y9627 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 NC1=CN=NN1 3126AB [2,0,0,0,0,0|1,0,0]=3 89 B6R1.2 NC1=COC=N1 4441AJ [2,0,0,0,0,0|1,0,1]=4 90 B6R1.2 NC1=CSC=N1 Y6641 [2,0,0,0,0,0|1,0,1]=4 91 B6R1.2 NC1=CSN=C1 W7611 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.1 CC1=NC(CN)=CS1 8526AH [1,1,0,0,0,0|1,0,1]=4 93 B8R1.1 CC1=NN=C(CN)O1 8854AH [1,1,0,0,0,0|2,0,0]=4 94 B8R1.1 CC1=NN=C(CN)S1 2280AC [1,1,0,0,0,0|2,0,0]=4 95 B8R1.1 CC1=NOC(CN)=N1 5162AC [1,1,0,0,0,0|1,0,1]=4 96 B8R1.1 CCC1=CSC(Br)=N1 Y4584 [1,1,0,0,0,0|1,0,1]=4 97 B8R1.1 NCC1=CC(Cl)=CS1 0924AB [1,1,0,0,0,0|2,0,0]=4 98 B8R1.1 NCC1=CC=C(Br)O1 4771AJ [1,1,0,0,0,0|2,0,0]=4 99 B8R1.1 NCC1=CSC(Cl)=C1 6085AC [1,1,0,0,0,0|2,0,0]=4 100 B8R1.1 NCC1=CSC(N)=N1 6664AD [1,1,0,0,0,0|1,0,1]=4 101 B8R1.1 NCC1=NN=C(N)S1 6312AE [1,1,0,0,0,0|2,0,0]=4 102 B8R1.1 NCC1=NNC(=O)N1 2837AC [1,1,0,0,0,0|1,0,1]=4 103 B8R1.1 OCC1=CC(Br)=CN1 2105AC [1,1,0,0,0,0|2,0,0]=4 104 B8R1.7 CC(C)C1=CN=CS1 8424AA [1,1,0,0,0,0|1,0,0]=3 105 B8R1.7 CC(N)C1=CC=NO1 Z3517 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.7 CC(N)C1=CN=CO1 3478AB [1,1,0,0,0,0|1,0,0]=3 107 B8R1.7 CC(N)C1=CNC=N1 9364AH [1,1,0,0,0,0|0,0,2]=4 108 B8R1.11 C#CC1=CN=CN1C Y9902 [1,1,0,0,0,0|0,0,2]=4 109 B8R1.11 CC1=C(CCl)SC=N1 7109AC [1,1,0,0,0,0|2,0,0]=4 110 B8R1.11 CC1=C(CN)C=NO1 3895AJ [1,1,0,0,0,0|2,0,0]=4 111 B8R1.11 CC1=C(CN)N=CN1 7784AE [1,1,0,0,0,0|0,0,2]=4 112 B8R1.11 CCC1=C(C)N=CS1 3502AB [1,1,0,0,0,0|1,0,0]=3 113 B8R1.11 CCC1=CC=NN1C 2989AE [1,1,0,0,0,0|2,0,0]=4 114 B8R1.11 CCC1=CNN=C1N Q798 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.11 CN1C=CN=C1CN 7571AB [1,1,0,0,0,0|2,0,0]=4 116 B8R1.11 CN1C=NC=C1CCl 4724AC [1,1,0,0,0,0|1,0,0]=3 117 B8R1.11 CN1N=CC=C1CN 3010AA [1,1,0,0,0,0|2,0,0]=4 118 B8R1.11 NCC1=C(Br)SC=C1 8483AH [1,1,0,0,0,0|2,0,0]=4 119 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [0,1,0,0,0,1|2,0,0]=4 120 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [0,1,0,0,0,1|1,0,0]=3 121 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [0,1,0,0,0,1|1,0,0]=3 122 B10R1.4 NC1=NC=CC=C1CCO 6447AC [0,1,0,0,0,1|2,0,0]=4 123 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [0,1,0,0,0,1|1,0,1]=4 124 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.10 CC1=NC=CC(CNN)=C1 2499AD [0,1,0,0,0,1|2,0,0]=4 126 B10R1.10 CCCC1=CC(N)=NC=C1 2921AJ [0,1,0,0,0,1|2,0,0]=4 127 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [0,1,0,0,0,1|1,0,0]=3 128 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [0,1,0,0,0,1|1,0,1]=4 129 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [0,1,0,0,0,1|2,0,0]=4 130 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [0,1,0,0,0,1|1,0,1]=4 131 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,1,0,0,0,1|2,0,0]=4 132 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [0,1,0,0,0,1|1,0,0]=3 133 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,1,0,0,0,1|2,0,0]=4 134 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [0,1,0,0,0,1|2,0,0]=4 135 B10R1.17 NCCNC1=CN=CC=N1 6077AB [0,1,0,0,0,1|0,0,1]=3 136 B10R1.17 OCCCC1=NC=CN=C1 2035AJ [0,1,0,0,0,1|1,0,1]=4 137 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [0,1,0,0,0,1|1,0,1]=4 138 B10R1.16 CC1=NN=C(NCCN)S1 3567AF [0,2,0,0,0,0|2,0,0]=4 139 B10R1.16 CNCCC1=CN(C)N=C1 8615AC [0,2,0,0,0,0|2,0,0]=4 140 B10R1.16 NCCCC1=CSC(N)=N1 3997AD [0,2,0,0,0,0|1,0,1]=4 141 B10R1.11 CC(CCN)N1C=CN=C1 3663AF [0,2,0,0,0,0|2,0,0]=4 142 B10R1.21 CCNCCN1C=CN=C1 7263AJ [0,2,0,0,0,0|2,0,0]=4 143 B10R1.27 N[C@@H](CO)CC1=CNC=N1 K295 [0,2,0,0,0,0|0,0,2]=4 144 B10R1.29 CNCCN1C=CN=C1C 1680AF [0,2,0,0,0,0|2,0,0]=4 145 B10R1.29 NCCOC1=NON=C1N 0365AD [0,2,0,0,0,0|1,0,1]=4 146 B10R1.5 CCC1=NC=CN1CCN 9089AC [0,2,0,0,0,0|2,0,0]=4 147 B10R1.5 CCN1N=CC=C1CCN 3371AD [0,2,0,0,0,0|2,0,0]=4 148 B8R1.2 NCC1=CN=CN=C1 W4845 [0,0,1,1,0,0|0,0,2]=4 149 B8R1.5 N[C@@H]1CC=CC[C@H]1N 0209AQ [0,0,1,1,0,0|1,0,1]=4 150 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [0,0,0,1,0,1|2,0,0]=4 151 B10R2.7 C1=CC2=C(C=N1)CCC2 7574AB [0,0,0,1,0,1|2,0,0]=4 152 B10R2.7 C1=CC2=C(C=N1)CCN2 1362AJ [0,0,0,1,0,1|1,0,0]=3 153 B10R2.2 CC1=NC2=C(CNC2)N1 1776AJ [0,1,0,1,0,0|2,0,0]=4 154 B10R2.14 BrC1=NC=C(C2CC2)S1 1613AJ [0,1,0,1,0,0|2,0,0]=4 155 B10R2.14 NC1=NC=C(C2CC2)S1 3203AJ [0,1,0,1,0,0|2,0,0]=4 156 B10R2.32 NC1CCC2=C1C=CS2 3029AJ [0,1,0,1,0,0|2,0,0]=4 157 B10R2.32 NC1CCC2=C1C=CS2 3030AJ [0,1,0,1,0,0|2,0,0]=4 158 B10R2.32 O=C1CCN2C=NC=C12 5885AB [0,1,0,1,0,0|1,0,1]=4 159 B10R2.21 CN1C=NN=C1C2CC2 1343AD [0,1,0,1,0,0|2,0,0]=4