0 B8R1.8 BrCCC1=CSC=C1 F20032 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 BrCCN1C=CC=N1 71462 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 BrCCN1N=CC=N1 C72075 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CCCC1=NNC=C1 C16284 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CCOC1=NNC=C1 AT14799 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CNCC1=CC=NO1 27030 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.8 CNCC1=CNC=N1 AT15460 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CNCC1=COC=C1 AC5678 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 CNCC1=NNC=C1 33350 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 COCC1=CN=CN1 AC8003 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 ClCCC1=CNN=C1 D95803 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 ClCCN1C=CN=C1 70870 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 ClCCN1C=NC=N1 29832 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 N#CCC1=NC=CS1 38066 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.8 N#CCC1=NNC=C1 29852 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.8 NCCC1=CC=CN1 31556 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.8 NCCC1=CC=CN1 F10331 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.8 NCCC1=CSC=C1 P10092 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.8 NCCC1=NC=CN1 F18351 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.8 NCCC1=NC=CS1 70863 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.8 NCCC1=NN=CS1 38315 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 NCCC1=NN=NN1 31735 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 NCCC1=NNC=C1 AC1362 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.8 NCCN1C=CC=N1 28356 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.8 NCCN1C=CN=C1 30762 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.8 NCCN1C=CN=N1 W15879 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.8 NCCN1C=CN=N1 W19436 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.8 NCCN1C=NC=N1 28092 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 NCCN1C=NN=C1 AC1420 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.8 NCCN1N=CC=N1 W16247 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 OCCC1=CC=CN1 AB10351 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.8 OCCC1=CC=CO1 W10532 [0,0,0,0,0,0|1,1,0]=2 32 B8R1.8 OCCC1=COC=C1 D93026 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 OCCC1=NNC=C1 22974 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 OCCN1C=NC=N1 F19895 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,0,0|2,1,0]=4 37 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 BrCC1=NOC=C1 71749 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,0,0|0,0,2]=3 43 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,0,0|2,1,0]=4 45 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,0,0|2,1,0]=4 47 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,0,0|2,1,0]=4 57 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 ClCC1=NOC=C1 F13567 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,0,0|1,1,0]=3 64 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 NCC1=CNN=N1 20253 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 NCC1=CNN=N1 D77245 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 NCC1=NN=CO1 S11004 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 NCC1=NNC=N1 AC1019 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 NCC1=NOC=N1 72520 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 NNC1=NC=CS1 C74550 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,0,0|1,1,1]=4 83 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,0,0|1,1,0]=3 88 B9R1.7 CC1=NC(CCN)=NO1 72552 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.7 CCCC1=NC(I)=CN1 W16409 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.7 CCCN1C=C(N)C=N1 D82823 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.7 CN1C=CC(CNN)=N1 P18046 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.7 N#CCC1=CC=C(Br)S1 C10185 [0,1,0,0,0,0|0,0,2]=3 95 B9R1.7 NC1=CN(CCO)N=C1 50515 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.7 NC1=NNC(CCO)=C1 F52237 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.7 OCCN1C=C(Br)C=N1 24184 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.7 OCCN1C=C(I)C=N1 53615 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,1,0,0,0,0|1,1,0]=3 102 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.11 NNC(=O)C1=NC=CS1 78397 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,0,0,0|1,1,1]=4 108 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,0,0,0|1,1,1]=4 109 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,1,0,0,0,0|1,1,0]=3 110 B9R1.12 CCNCC1=CC=CO1 C77903 [0,1,0,0,0,0|1,1,0]=3 111 B9R1.12 COCCN1C=CC=C1 W16108 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.12 ClCCCN1C=CC=N1 72556 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.12 NCCCC1=NC=CN1 F10427 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.12 NCCCN1C=NC=N1 BL003074 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.12 OCCCC1=CNC=N1 12540 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.12 OCCCC1=CSC=C1 32572 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,1,0,0,0,0|1,1,1]=4 122 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.33 CC1=C(CCCl)SC=N1 30040 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.33 CC1=C(CCO)N=CS1 C74944 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.33 CC1=C(CCO)SC=N1 D77790 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.33 CN1C=CC=C1CCN 70855 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.33 CN1C=CN=C1CCCl D79294 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.33 CN1C=CN=C1CNN 72909 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.33 CN1C=NC=C1CCN 70377 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.33 CN1C=NC=C1CCO AT15579 [0,1,0,0,0,0|3,0,0]=4 134 B9R2.2 C1=CN(C2CC2)N=C1 25668 [0,0,0,1,0,0|3,0,0]=4 135 B9R2.2 C1=CNC(C2CC2)=N1 31955 [0,0,0,1,0,0|3,0,0]=4 136 B9R2.2 C1=NC=C(C2CC2)N1 51747 [0,0,0,1,0,0|3,0,0]=4 137 B9R2.3 C1=NC2=C(CNC2)S1 50602 [0,0,0,1,0,0|3,0,0]=4 138 B9R2.3 C1=NN2CCCC2=C1 O11325 [0,0,0,1,0,0|3,0,0]=4 139 B9R2.3 C1=NN2CCNC2=C1 W18662 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,0,0,0,0,1|2,0,0]=3 141 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,0,0,0,0,1|2,0,0]=3 145 B9R1.8 N#CCC1=NC=CC=N1 37061 [0,0,0,0,0,1|1,0,2]=4 146 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,0,0,0,0,1|1,0,2]=4 147 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,0,0,0,0,1|1,0,0]=2 148 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,0,0,0,0,1|1,0,0]=2 149 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,0,0,0,0,1|1,0,0]=2 150 B9R1.8 NNCC1=CC=CN=C1 78930 [0,0,0,0,0,1|2,0,0]=3 151 B9R1.8 NNCC1=CC=NC=C1 37009 [0,0,0,0,0,1|2,0,0]=3 152 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,0,0,0,0,1|2,0,0]=3 153 B9R1.8 NNCC1=CN=CN=C1 37093 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.8 NNCC1=NC=CC=C1 78929 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.8 NNCC1=NC=CN=C1 37235 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,0,0,0,0,1|2,0,0]=3 157 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [0,0,0,0,0,1|2,0,1]=4 158 B9R1.8 OCCC1=CN=CN=C1 27368 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,0,0,0,0,1|2,0,0]=3 160 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,0,0,0,0,1|3,0,0]=4 161 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,0]=3 162 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|2,0,0]=4 164 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|2,0,0]=4 165 B6R1.2 NC1=CC=NO1 AB9529 [2,0,0,0,0,0|1,1,0]=4 166 B6R1.2 NC1=CC=NS1 S11666 [2,0,0,0,0,0|1,0,0]=3 167 B6R1.2 NC1=CN=CS1 52083 [2,0,0,0,0,0|1,0,0]=3 168 B6R1.2 NC1=CNC=C1 D82737 [2,0,0,0,0,0|2,0,0]=4 169 B6R1.2 NC1=CNC=N1 21115 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 NC1=CNC=N1 52247 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 NC1=CSC=C1 D77326 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 OC1=NC=CS1 25638 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 SC1=CC=CS1 23061 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.1 BrCC1=CN=C(Br)S1 24688 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.1 CC1=CC=C(CN)S1 71266 [1,1,0,0,0,0|0,0,0]=2 176 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.1 CC1=CSC(CCl)=N1 W16105 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.1 CC1=CSC(CO)=N1 78422 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.1 CC1=NC=C(CBr)S1 F16665 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.1 CC1=NC=C(CN)S1 72160 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.1 CC1=NC=C(CN)S1 F14010 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.1 CC1=NN=C(CN)S1 F30252 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.1 CC1=NOC(CN)=C1 20228 [1,1,0,0,0,0|1,1,0]=4 185 B8R1.1 CCC1=CC(N)=NO1 71263 [1,1,0,0,0,0|1,1,0]=4 186 B8R1.1 CCC1=CC(O)=NO1 AC2644 [1,1,0,0,0,0|1,1,0]=4 187 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,1,0,0,0,0|0,1,0]=3 188 B8R1.1 CCC1=CN=C(N)S1 84403 [1,1,0,0,0,0|1,0,0]=3 189 B8R1.1 CCN1C=C(O)C=N1 AT11883 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.1 CN1C=NC(CN)=C1 38318 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 CN1C=NC(CN)=C1 82874 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.1 CNC1=NC(Br)=CS1 A11743 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.1 COC1=NC=C(Br)S1 78090 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.1 CSC1=CN=C(N)S1 C77378 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.1 N#CC1=CC(Cl)=CS1 P12196 [1,1,0,0,0,0|0,0,2]=4 196 B8R1.1 N#CC1=CC(N)=CS1 C76356 [1,1,0,0,0,0|0,0,2]=4 197 B8R1.1 N#CC1=CC=C(F)S1 37626 [1,1,0,0,0,0|0,0,2]=4 198 B8R1.1 N#CC1=CC=C(I)S1 C73627 [1,1,0,0,0,0|0,0,2]=4 199 B8R1.1 N#CC1=CC=C(N)S1 53143 [1,1,0,0,0,0|0,0,2]=4 200 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [1,1,0,0,0,0|0,0,0]=2 201 B8R1.1 NCC1=CC=C(Br)S1 P15264 [1,1,0,0,0,0|0,0,0]=2 202 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [1,1,0,0,0,0|0,0,0]=2 203 B8R1.1 NCC1=CN=C(Br)S1 C13963 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.1 NCC1=CN=C(Br)S1 S11077 [1,1,0,0,0,0|1,0,0]=3 205 B8R1.1 NCC1=CSC(Br)=C1 P11133 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.1 NCC1=NC(Br)=CS1 22984 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.1 NCC1=NC(Br)=CS1 68978 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.1 NCC1=NC=C(Br)S1 37716 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.1 OCC1=NC=C(Br)S1 37717 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.7 CC(C)C1=CC=CO1 81450 [1,1,0,0,0,0|0,1,0]=3 215 B8R1.7 CC(C)C1=CNC=N1 F30487 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.7 CN(C)C1=NC=CS1 N10099 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,1,0,0,0,0|0,1,0]=3 218 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,1,0,0,0,0|0,1,0]=3 219 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,1,0,0,0,0|0,0,0]=2 220 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,1,0,0,0,0|0,0,0]=2 221 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,1,0,0,0,0|0,0,0]=2 222 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,1,0,0,0,0|0,0,0]=2 223 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,1,0,0,0,0|0,0,0]=2 224 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [1,1,0,0,0,0|1,1,0]=4 230 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.7 N=C(N)C1=CC=CS1 C15965 [1,1,0,0,0,0|0,0,1]=3 240 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.11 CC1=CNN=C1CN P17767 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.11 CC1=CON=C1CN AT25740 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.11 CCC1=C(C)N=CS1 60935 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.11 CCC1=NNC=C1Br 98406 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.11 CN1C=CC=C1CN 88916 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.11 CN1C=CC=C1CO D82110 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.11 CN1C=NC=C1CN Y14872 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.11 CN1N=CC=C1CN AC1023 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.11 N#CC1=C(F)C=CS1 D76349 [1,1,0,0,0,0|0,0,2]=4 251 B8R1.11 N#CC1=C(N)C=CS1 50755 [1,1,0,0,0,0|0,0,2]=4 252 B8R1.11 NC1=C(CO)SC=C1 70866 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.11 NCC1=C(Cl)C=CS1 38405 [1,1,0,0,0,0|0,0,0]=2 254 B8R1.11 OCC1=C(Br)N=CS1 26511 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [0,1,0,0,0,1|1,0,0]=3 257 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,1,0,0,0,1|1,0,0]=3 265 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,1,0,0,0,1|1,0,0]=3 266 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,1,0,0,0,1|1,0,0]=3 269 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,1,0,0,0,1|1,0,0]=3 275 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,1|1,0,0]=3 297 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,1|1,0,0]=3 298 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,1,0,0,0,1|1,0,1]=4 315 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,1,0,0,0,1|1,0,1]=4 316 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,1,0,0,0,1|1,0,0]=3 317 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,1,0,0,0,1|1,0,0]=3 318 B10R1.17 NCCNC1=NC=CC=N1 C72507 [0,1,0,0,0,1|1,0,0]=3 319 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,1,0,0,0,1|1,0,0]=3 320 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,1,0,0,0,1|1,0,0]=3 321 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,1,0,0,0,1|1,0,1]=4 324 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,1,0,0,0,1|1,0,1]=4 326 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,1,0,0,0,1|1,0,1]=4 327 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,1,0,0,0,1|1,0,1]=4 328 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,2,0,0,0,0|1,1,0]=4 329 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,2,0,0,0,0|1,1,0]=4 330 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,2,0,0,0,0|1,1,0]=4 331 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,2,0,0,0,0|1,1,0]=4 332 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,2,0,0,0,0|1,1,0]=4 333 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,2,0,0,0,0|1,1,0]=4 334 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,2,0,0,0,0|0,0,0]=2 335 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.54 CC1=NOC(C[C@H](C)N)=C1 72329 [0,2,0,0,0,0|1,1,0]=4 337 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.94 CC1=C(CCO)SC=[N+]1C C73138 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.66 O=C(O)CCC1=NC=CS1 69864 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,1,1,0,0|1,0,1]=4 344 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [0,0,0,1,0,1|1,0,0]=3 345 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [0,0,0,1,0,1|1,0,0]=3 346 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [0,0,0,1,0,1|1,0,0]=3 347 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,0,0,1,0,1|1,0,0]=3 348 B10R2.2 BrC1=NC2=C(CCC2)S1 52778 [0,1,0,1,0,0|2,0,0]=4 349 B10R2.2 NC1=NC2=C(C=CS2)S1 93682 [0,1,0,1,0,0|1,0,1]=4 350 B10R2.2 NC1=NC2=C(CCC2)S1 54823 [0,1,0,1,0,0|2,0,0]=4 351 B10R2.2 O=C1NC2=C(N1)SC=C2 C76269 [0,1,0,1,0,0|1,0,1]=4 352 B10R2.14 BrC1=CN=C(C2CC2)S1 AT14899 [0,1,0,1,0,0|2,0,0]=4 353 B10R2.14 N=C1NC=C(C2CC2)S1 W18094 [0,1,0,1,0,0|2,0,0]=4 354 B10R2.136 C1=CN(C2CNC2)N=C1 C90685 [0,1,0,1,0,0|2,0,0]=4