0 B8R1.8 BrCCN1C=CC=C1 11545 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 C=CCN1C=CN=C1 C93464 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 CCCC1=CC=CS1 F17557 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCC1=CSC=C1 T71823 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CCCC1=NC=CN1 AC7723 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCCC1=NC=CS1 D84132 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCCC1=NCCN1 D92082 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.8 CCCC1=NN=NN1 F19894 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 CCCN1C=CC=N1 31937 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.8 CCCN1C=CN=C1 D70905 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=CC=CO1 74988 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CNCC1=CC=CS1 27064 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CNCC1=CC=CS1 76689 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CNCC1=CSC=C1 C73993 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 COCN1C=CN=C1 36028 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 CSCC1=CC=CO1 D90650 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 ClCCN1C=CC=C1 11544 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 ClCCN1C=CC=N1 F11115 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.8 ClCCN1C=CN=C1 D78072 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 N#CCC1=CC=CN1 AC1364 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.8 N#CCC1=CC=CS1 D71260 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.8 N#CCC1=CN=CN1 37557 [0,0,0,0,0,0|0,0,2]=2 22 B8R1.8 N#CCC1=CNC=N1 71077 [0,0,0,0,0,0|0,0,4]=4 23 B8R1.8 N#CCC1=CSC=C1 70757 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.8 N#CCN1C=CN=C1 RB3041 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.8 NCCC1=CC=CO1 51136 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 NCCC1=CC=CS1 28447 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.8 NCCC1=CN=CN1 73730 [0,0,0,0,0,0|0,0,0]=0 28 B8R1.8 NCCC1=CN=CN1 D90807 [0,0,0,0,0,0|0,0,0]=0 29 B8R1.8 NCCC1=CNC=N1 D97233 [0,0,0,0,0,0|0,0,2]=2 30 B8R1.8 NCCC1=CNC=N1 F10913 [0,0,0,0,0,0|0,0,2]=2 31 B8R1.8 NCCC1=CSC=C1 51624 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.8 NCCC1=NN=NN1 30983 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.8 NCCN1C=CC=C1 C74522 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 NCCN1C=CN=C1 AC7946 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.8 NCCN1C=CN=C1 AR1130 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.8 NCCN1C=CN=C1 FD13141 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.8 OCCC1=CC=CS1 P10012 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.8 OCCC1=CN=CN1 25474 [0,0,0,0,0,0|1,0,0]=1 39 B8R1.8 OCCC1=CN=CN1 C73445 [0,0,0,0,0,0|1,0,0]=1 40 B8R1.8 OCCC1=CNN=C1 CL3409 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.8 OCCC1=CSC=C1 62948 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.8 OCCC1=NC=CN1 29051 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.8 OCCC1=NNN=N1 C15103 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.8 OCCN1C=CC=N1 28722 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.8 OCCN1C=CN=C1 74883 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.8 OCC[N+]1=CSC=C1 D93326 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 BrCC1=CSC=C1 54789 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 BrCC1=NC=CN1 O10503 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 CCC1=CC=CO1 S10154 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 CCC1=CC=CS1 D90498 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 CCC1=CCC=C1 F14114 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 CCC1=CN=CN1 32046 [1,0,0,0,0,0|0,0,0]=1 53 B7R1.1 CCC1=CSC=C1 F14946 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 CCC1=NC=CN1 D77759 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 CCC1=NC=CS1 D90524 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 CCC1=NNC=N1 D70507 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.1 CCN1C=CC=N1 28726 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 CCN1C=CN=C1 D70860 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 CCN1C=CN=N1 D80212 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 COC1=CC=CS1 F14921 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 COC1=CSC=C1 63554 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 CSC1=CSC=C1 D97361 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 CSC1=NN=NN1 F17102 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 ClCC1=CN=CN1 70852 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.1 ClCC1=CN=CS1 27423 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 ClCC1=CSC=N1 CL2524 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 ClCC1=NN=NN1 23544 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 N#CC1=CC=CN1 57004 [1,0,0,0,0,0|1,0,2]=4 69 B7R1.1 N#CC1=CN=CN1 59451 [1,0,0,0,0,0|0,0,2]=3 70 B7R1.1 N#CC1=CN=CS1 27369 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.1 NCC1=CC=CN1 24683 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.1 NCC1=CC=CS1 77953 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 NCC1=CC=NN1 79202 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CN=CO1 34684 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.1 NCC1=CN=CO1 38284 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.1 NCC1=CN=CS1 20220 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.1 NCC1=CN=CS1 P15769 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.1 NCC1=CNC=N1 71831 [1,0,0,0,0,0|0,0,2]=3 79 B7R1.1 NCC1=COC=C1 F14683 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 NCC1=COC=N1 AC7758 [1,0,0,0,0,0|1,0,1]=3 81 B7R1.1 NCC1=CSC=C1 23759 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1=CSC=C1 84938 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 NCC1=NC=CN1 71597 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 NCC1=NC=CN1 C90135 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 NCC1=NC=CO1 64820 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 NCC1=NC=CS1 20218 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 NCC1=NC=CS1 38316 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.1 NCC1=NC=CS1 38317 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 NCC1=NN=NN1 S10255 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 O=CC1=CC=CN1 61406 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.1 O=CC1=CN=CN1 30100 [1,0,0,0,0,0|1,0,1]=3 92 B7R1.1 O=CC1=CN=CS1 66596 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.1 OCC1=CC=CS1 P10010 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.1 OCC1=CCC=C1 F14117 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 OCC1=CN=CN1 71235 [1,0,0,0,0,0|1,0,0]=2 96 B7R1.1 OCC1=CN=CO1 25731 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.1 OCC1=CN=CS1 28400 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 OCC1=CNC=N1 62333 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.1 OCC1=CNN=C1 27794 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 OCC1=COC=C1 35423 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 OCC1=COC=N1 38413 [1,0,0,0,0,0|2,0,1]=4 102 B7R1.1 OCC1=CSC=C1 33113 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 OCC1=CSC=N1 24603 [1,0,0,0,0,0|2,0,1]=4 104 B7R1.1 OCC1=NC=CN1 28922 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 OCN1C=NC=N1 I10144 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.7 CC1=NC(CCN)=CN1 F15605 [0,1,0,0,0,0|0,0,2]=3 107 B9R1.7 CCCC1=CC(N)=NN1 29762 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.7 CCCC1=CC=C(Br)S1 F17551 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.7 CCCC1=CSC(N)=N1 O11283 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.7 CN1C=C(CNN)C=N1 72910 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.7 CN1C=NC(CCN)=C1 W10018 [0,1,0,0,0,0|0,0,2]=3 112 B9R1.7 CNCC1=CN=C(Cl)S1 36645 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.7 NC1=NC=C(CCO)S1 32031 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.7 NCCC1=CC=C(Br)S1 AC1431 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.11 CCC(=O)C1=CC=CN1 71325 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.11 COC(=O)C1=CN=CN1 36063 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.11 NC[C@H](O)C1=CC=CO1 71472 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.11 NNC(=O)C1=CC=CN1 CL3108 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.11 O=C(CBr)C1=CC=CN1 D82305 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.12 CCCCC1=CC=CO1 D88935 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.12 CCCCC1=CC=CS1 F15458 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.12 CCCCC1=CSC=C1 F10859 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.12 CCCCC1=NC=CN1 AC7925 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.12 CCNCC1=CC=CS1 29339 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.12 CCOCC1=CC=CO1 O10522 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.12 NCCCC1=CC=CS1 F20202 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.12 NCCCN1C=CN=C1 F13668 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.12 OCCCC1=CC=CS1 30464 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.13 C[C@H](N)CN1C=CN=C1 AR1133 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.13 C[C@H](O)CC1=CC=CO1 31846 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.13 NC(=O)CC1=CC=CS1 D85917 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.13 O=C(O)CC1=CN=CN1 76838 [0,1,0,0,0,0|1,0,1]=3 133 B9R1.33 CCOC1=C(C)N=CO1 C75335 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.33 CN1C=CN=C1CCO AT15711 [0,1,0,0,0,0|3,0,0]=4 135 B9R2.2 C1=NC(C2CC2)=CS1 31626 [0,0,0,1,0,0|2,0,1]=4 136 B9R2.3 C1=CN2CCCC2=N1 Y10189 [0,0,0,1,0,0|3,0,0]=4 137 B9R2.3 C1=NNC2=C1CCC2 70841 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.8 BrCCC1=CC=CC=C1 S12296 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.8 BrCCC1=NC=CC=C1 54525 [0,0,0,0,0,1|2,0,1]=4 140 B9R1.8 CCCC1=CC=CC=C1 F10002 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.8 CCCC1=CC=NC=C1 D86491 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.8 CCCC1=NC=CC=C1 A10924 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.8 CCCC1=NC=CN=C1 D70525 [0,0,0,0,0,1|1,0,1]=3 144 B9R1.8 CCOC1=NC=CN=C1 AC1594 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.8 CNCC1=CC=CN=C1 28981 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.8 CNCC1=CC=CN=C1 AR1268 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.8 CNCC1=CC=NC=C1 30756 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.8 ClCCC1=CC=CC=C1 D70839 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.8 ICCC1=CC=CC=C1 D70924 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.8 N#CCC1=CC=NC=C1 74034 [0,0,0,0,0,1|1,0,2]=4 151 B9R1.8 N#CCC1=CC=NC=C1 81779 [0,0,0,0,0,1|1,0,2]=4 152 B9R1.8 N#CCC1=CN=CC=C1 24086 [0,0,0,0,0,1|1,0,2]=4 153 B9R1.8 N#CCC1=NC=NC=C1 88775 [0,0,0,0,0,1|0,0,3]=4 154 B9R1.8 NCCC1=CC=CC=C1 D78532 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.8 NCCC1=CC=CN=C1 51507 [0,0,0,0,0,1|1,0,0]=2 156 B9R1.8 NCCC1=CC=CN=C1 51508 [0,0,0,0,0,1|1,0,0]=2 157 B9R1.8 NCCC1=CC=NC=C1 51916 [0,0,0,0,0,1|1,0,0]=2 158 B9R1.8 NCCC1=CC=NC=C1 N12034 [0,0,0,0,0,1|1,0,0]=2 159 B9R1.8 NCCC1=CCCCC1 D87820 [0,0,0,0,0,1|2,0,1]=4 160 B9R1.8 NCCC1=NC=CC=C1 AB1583 [0,0,0,0,0,1|1,0,1]=3 161 B9R1.8 NNCC1=CC=CC=C1 53542 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.8 NNCC1=CC=CC=C1 53594 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.8 NNCC1=CC=CC=C1 78678 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.8 NNCC1=CC=CN=C1 37010 [0,0,0,0,0,1|2,0,0]=3 165 B9R1.8 NNCC1=CC=CN=C1 71680 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.8 NNCC1=NC=CC=C1 37011 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.8 NOCC1=CC=CC=C1 54239 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.8 NOCC1=CC=CC=C1 N10409 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.8 OCCC1=CC=CC=C1 D70868 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.8 OCCC1=CC=NC=C1 27360 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.8 OCCC1=CN=CC=C1 29643 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.8 OCCC1=NC=CC=C1 D70485 [0,0,0,0,0,1|2,0,1]=4 173 B9R1.8 OCCC1=NC=CN=C1 26585 [0,0,0,0,0,1|1,0,1]=3 174 B9R1.8 SCCC1=CC=CC=C1 AC9387 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.8 SCCC1=CC=NC=C1 H11399 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.8 SCCC1=NC=CN=C1 T72349 [0,0,0,0,0,1|1,0,1]=3 177 B6R0.6 C=COCCCN 75654 [1,0,1,0,0,0|1,0,1]=4 178 B6R0.6 CCCC=CC=O D78252 [1,0,1,0,0,0|2,0,0]=4 179 B6R1.2 BrC1=CN=CS1 CL2517 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 BrC1=NN=CN1 O10963 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 CC1=CC=CS1 F10310 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 CC1=CC=NN1 FD18008 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 CC1=CC=NO1 F14932 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 CC1=CCC=C1 F13190 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 CC1=CN=CS1 35579 [2,0,0,0,0,0|1,0,0]=3 186 B6R1.2 CC1=CNC=N1 73319 [2,0,0,0,0,0|0,0,2]=4 187 B6R1.2 CC1=CNN=C1 CL3422 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 CC1=COC=N1 P11074 [2,0,0,0,0,0|1,0,1]=4 189 B6R1.2 CC1=CSC=C1 28845 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 CC1=CSC=N1 P16589 [2,0,0,0,0,0|1,0,1]=4 191 B6R1.2 CC1=NC=CN1 D77862 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 CC1=NN=CN1 FD9029 [2,0,0,0,0,0|1,0,0]=3 193 B6R1.2 CC1=NN=CO1 F13450 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 CC1=NN=NN1 23089 [2,0,0,0,0,0|2,0,0]=4 195 B6R1.2 CC1=NON=C1 C15436 [2,0,0,0,0,0|1,0,1]=4 196 B6R1.2 CN1C=CN=C1 D70869 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 CN1C=CN=C1 D92902 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 CN1C=NC=N1 35171 [2,0,0,0,0,0|1,0,1]=4 199 B6R1.2 ClC1=CN=CN1 35570 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 NC1=CC=NN1 78618 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 NC1=CN=CS1 52084 [2,0,0,0,0,0|1,0,0]=3 202 B6R1.2 NC1=CN=NS1 FD13116 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 NC1=CNN=C1 24919 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 NC1=CNN=C1 29760 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 NC1=CON=C1 26651 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 NC1=CSC=C1 37334 [2,0,0,0,0,0|2,0,0]=4 207 B6R1.2 NC1=CSC=C1 CX1088 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 NC1=CSC=C1 D78123 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 NC1=NC=CN1 36556 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 NC1=NC=CN1 P10144 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 NC1=NC=NS1 36264 [2,0,0,0,0,0|1,0,1]=4 212 B6R1.2 NC1=NC=NS1 77838 [2,0,0,0,0,0|1,0,1]=4 213 B6R1.2 NC1=NC=NS1 O10337 [2,0,0,0,0,0|1,0,1]=4 214 B6R1.2 NC1=NN=CN1 D70019 [2,0,0,0,0,0|1,0,0]=3 215 B6R1.2 NC1=NN=CO1 72550 [2,0,0,0,0,0|2,0,0]=4 216 B6R1.2 NC1=NN=CS1 D77857 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.1 CC1=CC=C(CN)O1 AT17190 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 CC1=CC=C(CN)S1 71910 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 CC1=CSC(CN)=C1 71583 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 CC1=NC=C(CCl)S1 W10368 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.1 CC1=NC=C(CO)S1 W10514 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 CC1=NN=C(CN)O1 25478 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 CC1=NNC(CN)=C1 AC1082 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 CCC1=CC=C(Br)S1 AT16365 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.1 CCC1=CC=C(C)S1 D82487 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 CCC1=NC(C)=CN1 AC1597 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 CCC1=NN=C(N)S1 AT18875 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.1 CCN1C=NC(Br)=C1 CS2253 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.1 CN1C=C(CN)C=N1 26445 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 CN1C=C(CN)C=N1 BL009313 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 CN1C=C(CN)C=N1 P10826 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 CN1C=NC(CN)=C1 P15771 [1,1,0,0,0,0|0,0,2]=4 233 B8R1.1 NC1=NC=C(CO)S1 F11503 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.1 NCC1=CC(Br)=CS1 P10529 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.1 NCC1=CC(Br)=CS1 SC1761 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.1 NCC1=CC=C(Br)S1 73366 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.1 NCC1=CN=C(Cl)S1 23933 [1,1,0,0,0,0|1,0,0]=3 238 B8R1.1 NCC1=CN=C(Cl)S1 57398 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.1 NCC1=CSC(Br)=N1 D83439 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.1 NCC1=CSC(Cl)=C1 37529 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 OCC1=CN=C(Br)S1 24925 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.1 OCC1=CN=C(Cl)S1 S12230 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.7 CC(=O)C1=CC=CN1 F14878 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.7 CC(C)C1=NC=CN1 AC7942 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.7 CC(C)N1C=CN=C1 28353 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.7 C[C@H](N)C1=CC=CS1 F50504 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.7 C[C@H](N)C1=COC=C1 N12469 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.7 C[C@H](N)C1=CSC=N1 N12430 [1,1,0,0,0,0|1,0,1]=4 249 B8R1.7 C[C@H](O)C1=CC=CO1 C74444 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.7 C[C@H](O)C1=CCC=C1 F13266 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.7 NC(=O)C1=CC=CN1 D83540 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.7 NC(=O)C1=CN=CN1 29927 [1,1,0,0,0,0|0,0,1]=3 253 B8R1.11 CC1=C(C=O)NC=N1 79118 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.11 CC1=C(CN)SC=N1 W10148 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.11 CC1=NON=C1CN 20188 [1,1,0,0,0,0|1,0,1]=4 256 B8R1.11 CCC1=CNN=C1N 82129 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.11 CCN1C=CN=C1Cl 24215 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.11 CN1C=CC=C1CN 71394 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.11 CN1C=CN=C1CN 29381 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.11 CN1C=NC=C1C#N 38401 [1,1,0,0,0,0|0,0,2]=4 261 B8R1.11 CN1C=NC=C1C=O 59378 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.11 CN1C=NC=C1CN 28542 [1,1,0,0,0,0|0,0,0]=2 263 B8R1.11 CN1C=NC=C1CO 59376 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.11 CN1C=NN=C1CO 25600 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.11 CN1N=CC=C1CN 30307 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.11 CN1N=CC=C1CN 72161 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.11 N#CC1=C(N)N=CN1 35453 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.1 CC1=CC=C(CCN)C=C1 66611 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.1 CC1=CC=C(CCN)C=C1 66612 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.1 CCCC1=CN=C(Cl)N=C1 11626 [0,1,0,0,0,1|1,0,1]=4 271 B10R1.1 NCCC1=CC=C(Br)C=C1 56022 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.1 NCCC1=CC=C(Br)C=C1 56042 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.1 NCCC1=CC=C(Cl)C=C1 57784 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.1 NCCC1=CC=C(Cl)C=C1 57785 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.1 NCCC1=CC=C(F)C=C1 61110 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.1 NCCC1=CC=C(F)C=C1 D97693 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.1 NCCC1=CC=C(N)C=C1 51454 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.1 NCCC1=CC=C(N)C=C1 51455 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.1 NCCC1=CC=C(O)C=C1 AC1814 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.1 NCCC1=CC=C(O)C=C1 S12325 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.1 NCCC1=NC=C(Br)C=C1 AT24808 [0,1,0,0,0,1|1,0,1]=4 282 B10R1.1 OCCC1=CN=C(Cl)C=C1 11172 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.4 NCCC1=C(Br)C=CC=C1 36255 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.4 NCCC1=C(Cl)C=CC=C1 57778 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.4 NCCC1=C(Cl)C=CC=C1 57779 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.4 NCCC1=C(F)C=CC=C1 28446 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.4 NCCC1=C(N)C=CC=C1 51437 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.10 CC1=CC=CC(CCN)=C1 66804 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.10 CC1=CC=CC(CCN)=C1 79173 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.10 NCCC1=CC=CC(Br)=C1 11061 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.10 NCCC1=CC=CC(Br)=C1 56020 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.10 NCCC1=CC=CC(Cl)=C1 57780 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.10 NCCC1=CC=CC(F)=C1 61108 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.10 NCCC1=CC=CC(N)=C1 51930 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.10 NCCC1=CC=CC(O)=C1 51439 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.10 NCCC1=CC=CC(O)=C1 51440 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.15 CC[C@H](N)C1=CC=CN=C1 30679 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 23817 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 28511 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 65652 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AC1145 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 F13480 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.15 NC[C@H](O)C1=CC=CC=C1 52103 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.15 NC[C@H](O)C1=CC=CC=C1 66448 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1187 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1190 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.15 NC[C@H](O)C1=CN=CC=C1 26739 [0,1,0,0,0,1|1,0,0]=3 308 B10R1.15 NC[C@H](O)C1=CN=CC=C1 AR2873 [0,1,0,0,0,1|1,0,0]=3 309 B10R1.15 NC[C@H](O)C1=NC=CC=C1 AR2870 [0,1,0,0,0,1|1,0,1]=4 310 B10R1.17 CCCCC1=CC=CN=C1 F20500 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.17 CCNCC1=CC=CN=C1 30943 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.17 CCNCC1=CC=NC=C1 12139 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.17 CNCCC1=CC=NC=C1 64165 [0,1,0,0,0,1|1,0,0]=3 315 B10R1.17 CNCCC1=CC=NC=C1 AR3935 [0,1,0,0,0,1|1,0,0]=3 316 B10R1.17 CNCCC1=NC=CC=C1 23018 [0,1,0,0,0,1|1,0,1]=4 317 B10R1.17 CNCCC1=NC=CC=C1 AR1013 [0,1,0,0,0,1|1,0,1]=4 318 B10R1.17 CNCCC1=NC=CC=C1 D87714 [0,1,0,0,0,1|1,0,1]=4 319 B10R1.17 NCCCC1=CC=CC=C1 S10208 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.17 NCCCC1=NC=CC=C1 70884 [0,1,0,0,0,1|1,0,1]=4 321 B10R1.17 NCCNC1=CC=CC=C1 AC8789 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.17 NCCOC1=CC=CC=C1 33388 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.17 NCCOC1=CN=CC=C1 25606 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.17 NCCOC1=CN=CC=C1 Y10394 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.17 NCCOC1=NC=CC=C1 20311 [0,1,0,0,0,1|1,0,1]=4 326 B10R1.17 OCCCC1=CC=NC=C1 65430 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.17 OCCCC1=CN=CC=C1 D84150 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [0,1,0,0,0,1|1,0,1]=4 329 B10R1.16 CCNCC1=CN=C(Cl)S1 F30505 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.130 CC1=NN(CCN)C(C)=N1 W15878 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.27 N[C@H](CO)CC1=CN=CN1 FD21694 [0,2,0,0,0,0|0,0,0]=2 332 B10R1.29 CC1=NC=CN1CCCN D84147 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.2 NCC1=CC=CN=C1 D70555 [0,0,1,1,0,0|1,0,1]=4 334 B8R1.2 NCC1=CC=NC=C1 F11237 [0,0,1,1,0,0|1,0,1]=4 335 B8R1.2 NCC1=CN=CN=C1 P19941 [0,0,1,1,0,0|0,0,2]=4 336 B8R1.2 NCC1=NC=NC=C1 26567 [0,0,1,1,0,0|0,0,2]=4 337 B8R1.2 NCC1=NC=NC=C1 36977 [0,0,1,1,0,0|0,0,2]=4 338 B8R1.2 NCC1=NC=NC=C1 P10494 [0,0,1,1,0,0|0,0,2]=4 339 B8R1.5 NC1=CC=CN=C1N 65488 [0,0,1,1,0,0|0,0,2]=4 340 B8R1.5 NC1=NC=CN=C1N 26762 [0,0,1,1,0,0|1,0,1]=4 341 B8R1.4 NC1=CN=CC(N)=N1 23407 [0,0,1,1,0,0|1,0,1]=4 342 B8R1.4 O=C1CCNC(=O)N1 F11823 [0,0,1,1,0,0|2,0,0]=4 343 B10R2.7 C1=CC2=C(C=C1)NCC2 P19974 [0,0,0,1,0,1|2,0,0]=4 344 B10R2.7 C1=CN=C2CCCC2=C1 85228 [0,0,0,1,0,1|2,0,0]=4 345 B10R2.7 C1=CN=C2CCNC2=C1 AC8217 [0,0,0,1,0,1|1,0,1]=4 346 B10R2.7 C1=CN=C2NCCC2=C1 67567 [0,0,0,1,0,1|1,0,0]=3 347 B10R2.2 S[C@H]1CN2C=NC=[N+]2C1 24668 [0,1,0,1,0,0|2,0,0]=4