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|3,0,1]=4 2 B8R1.8 CCCC1=NNC=C1 C16284 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.8 CNCC1=CC=NO1 27030 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CNC=N1 AT15460 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.8 CNCC1=COC=C1 AC5678 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 COCC1=CN=CN1 AC8003 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 COCC1=CNN=C1 P18875 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 ClCCC1=CNN=C1 D95803 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.8 ClCCN1C=CN=C1 70870 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 ClCCN1C=NC=N1 29832 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.8 N#CCN1C=NC=N1 29592 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.8 NCCC1=CC=CN1 31556 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.8 NCCC1=CC=CN1 F10331 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.8 NCCC1=CSC=C1 P10092 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 NCCC1=NC=CN1 F18351 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 NCCC1=NC=CS1 70863 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.8 NCCC1=NN=CS1 38315 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.8 NCCC1=NN=NN1 31735 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.8 NCCC1=NNC=C1 AC1362 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.8 NCCN1C=CC=N1 28356 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.8 NCCN1C=CN=C1 30762 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.8 NCCN1C=CN=N1 W15879 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.8 NCCN1C=CN=N1 W19436 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 NCCN1C=NC=N1 28092 [0,0,0,0,0,0|1,0,1]=2 25 B8R1.8 NCCN1C=NN=C1 AC1420 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.8 NCCN1N=CC=N1 W16247 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.8 OCCC1=CC=CN1 AB10351 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.8 OCCC1=CC=CO1 W10532 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.8 OCCC1=COC=C1 D93026 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 OCCC1=NNC=C1 22974 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.8 OCCN1C=NC=N1 F19895 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.8 OCCN1C=NN=C1 AC6566 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 BrCC1=CON=C1 95088 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 C=CC1=CN=CN1 D82417 [1,0,0,0,0,0|0,0,2]=3 39 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.1 COC1=CNN=C1 79311 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,0,0|1,0,0]=2 54 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,0,0|0,0,2]=3 56 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 NCC1=CNN=N1 20253 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.1 NCC1=CNN=N1 D77245 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 NCC1=NN=CO1 S11004 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 NCC1=NN=NN1 31822 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 NCC1=NNC=N1 AC1019 [1,0,0,0,0,0|1,0,2]=4 69 B7R1.1 NCC1=NNN=N1 S10016 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 NCC1=NOC=N1 72520 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 OCC1=CON=C1 73633 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 OCC1=CSN=C1 83209 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 OCN1C=CN=C1 F11598 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.7 CC1=NC(CCN)=NO1 72552 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.7 CCCC1=NC(I)=CN1 W16409 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,1,0,0,0,0|0,0,2]=3 84 B9R1.7 NC1=NNC(CCO)=C1 F52237 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.11 NNC(=O)C1=CN=CO1 D79940 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.12 CCNCC1=CC=CO1 C77903 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.12 NCCCC1=NC=CN1 F10427 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.12 NCCCN1C=NC=N1 BL003074 [0,1,0,0,0,0|1,0,1]=3 97 B9R1.12 OCCCC1=CNC=N1 12540 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.12 OCCCC1=CSC=C1 32572 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.33 CC1=C(CCCl)SC=N1 30040 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.33 CC1=C(CCO)N=CS1 C74944 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.33 CC1=C(CCO)SC=N1 D77790 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.33 CN1C=CC=C1CCN 70855 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.33 CN1C=CC=C1CCO F13299 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.33 CN1C=CN=C1CCCl D79294 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.33 CN1C=CN=C1CNN 72909 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.33 CN1C=NC=C1CCN 70377 [0,1,0,0,0,0|0,0,0]=1 112 B9R1.33 CN1C=NC=C1CCO AT15579 [0,1,0,0,0,0|1,0,0]=2 113 B9R2.2 C1=CN(C2CC2)C=N1 CS2526 [0,0,0,1,0,0|3,0,0]=4 114 B9R2.2 C1=CNC(C2CC2)=N1 31955 [0,0,0,1,0,0|3,0,0]=4 115 B9R2.2 C1=NC=C(C2CC2)N1 51747 [0,0,0,1,0,0|1,0,0]=2 116 B9R2.3 C1=NC2=C(CNC2)S1 50602 [0,0,0,1,0,0|3,0,0]=4 117 B9R2.3 C1=NN2CCCC2=C1 O11325 [0,0,0,1,0,0|3,0,0]=4 118 B9R2.3 C1=NN2CCCC2=N1 F30286 [0,0,0,1,0,0|2,0,1]=4 119 B9R2.3 C1=NN2CCNC2=C1 W18662 [0,0,0,1,0,0|2,0,1]=4 120 B9R2.3 C1CN2CCNC2=N1 AC1486 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,0,0,0,0,1|3,0,0]=4 123 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.8 CNCC1=CN=NC=C1 P16258 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,0,0,0,0,1|2,0,0]=3 126 B9R1.8 N#CCC1=CN=NC=C1 37056 [0,0,0,0,0,1|1,0,2]=4 127 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,0,0,0,0,1|0,0,3]=4 128 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,0,0,0,0,1|1,0,1]=3 129 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,0,0,0,0,1|0,0,1]=2 130 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,0,0,0,0,1|0,0,1]=2 131 B9R1.8 NNCC1=CC=CN=C1 78930 [0,0,0,0,0,1|2,0,0]=3 132 B9R1.8 NNCC1=CC=NC=C1 37009 [0,0,0,0,0,1|2,0,0]=3 133 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,0,0,0,0,1|2,0,0]=3 134 B9R1.8 NNCC1=CN=CN=C1 37093 [0,0,0,0,0,1|1,0,1]=3 135 B9R1.8 NNCC1=NC=CC=C1 78929 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.8 NNCC1=NC=CN=C1 37235 [0,0,0,0,0,1|1,0,1]=3 137 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.8 OCCC1=CN=CN=C1 27368 [0,0,0,0,0,1|1,0,1]=3 139 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,0,0,0,0,1|2,0,1]=4 140 B6R0.1 CNC(=O)CCN C75423 [1,0,1,0,0,0|1,0,1]=4 141 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,0]=3 142 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|1,0,1]=4 143 B6R1.2 CC1=CNN=C1 AT22811 [2,0,0,0,0,0|2,0,0]=4 144 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|2,0,0]=4 145 B6R1.2 CC1=NNN=C1 D94600 [2,0,0,0,0,0|1,0,1]=4 146 B6R1.2 FC1=CN=CN1 71921 [2,0,0,0,0,0|1,0,0]=3 147 B6R1.2 NC1=CC=NO1 AB9529 [2,0,0,0,0,0|2,0,0]=4 148 B6R1.2 NC1=CC=NS1 S11666 [2,0,0,0,0,0|2,0,0]=4 149 B6R1.2 NC1=CN=CS1 52083 [2,0,0,0,0,0|1,0,0]=3 150 B6R1.2 NC1=CNC=C1 D82737 [2,0,0,0,0,0|1,0,1]=4 151 B6R1.2 NC1=CNC=N1 21115 [2,0,0,0,0,0|0,0,2]=4 152 B6R1.2 NC1=CNC=N1 52247 [2,0,0,0,0,0|0,0,2]=4 153 B6R1.2 NC1=CON=C1 F14139 [2,0,0,0,0,0|2,0,0]=4 154 B6R1.2 NC1=CSC=C1 D77326 [2,0,0,0,0,0|2,0,0]=4 155 B6R1.2 NC1=CSN=C1 83206 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 NC1=CSN=C1 85313 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 NN1C=CN=C1 C76661 [2,0,0,0,0,0|2,0,0]=4 158 B6R1.2 NN1C=CN=C1 Y10352 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.1 BrCC1=CN=C(Br)S1 24688 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.1 CC1=CC=C(CN)S1 71266 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.1 CC1=NC=C(CBr)S1 F16665 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.1 CC1=NC=C(CN)S1 72160 [1,1,0,0,0,0|1,0,0]=3 163 B8R1.1 CC1=NC=C(CN)S1 F14010 [1,1,0,0,0,0|1,0,0]=3 164 B8R1.1 CC1=NN=C(CN)N1 AT12331 [1,1,0,0,0,0|1,0,0]=3 165 B8R1.1 CC1=NN=C(CN)S1 F30252 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 CC1=NOC(CN)=C1 20228 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.1 CC1=NOC(CN)=N1 S10792 [1,1,0,0,0,0|1,0,1]=4 168 B8R1.1 CCC1=CC(N)=NO1 71263 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.1 CCC1=CC(O)=NO1 AC2644 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.1 CCC1=CN=C(N)S1 84403 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.1 CN1C=NC(CN)=C1 38318 [1,1,0,0,0,0|0,0,2]=4 173 B8R1.1 CN1C=NC(CN)=C1 82874 [1,1,0,0,0,0|0,0,2]=4 174 B8R1.1 CSC1=CN=C(N)S1 C77378 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.1 NCC1=CC=C(Br)S1 P15264 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.1 NCC1=CN=C(Br)S1 C13963 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.1 NCC1=CN=C(Br)S1 S11077 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.1 NCC1=CSC(Br)=C1 P11133 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,1,0,0,0,0|1,0,1]=4 182 B8R1.7 CC(C)C1=CC=CO1 81450 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.7 CC(C)C1=CNC=N1 F30487 [1,1,0,0,0,0|0,0,2]=4 184 B8R1.7 CC(C)C1=CNN=C1 D78878 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [1,1,0,0,0,0|0,0,2]=4 194 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.7 C[C@H](N)C1=NN=CO1 D79352 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [1,1,0,0,0,0|0,0,2]=4 201 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,1,0,0,0,0|1,0,1]=4 204 B8R1.11 CC1=NOC=C1CN 72854 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.11 CC1=NOC=C1CN N10525 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.11 CC1=NON=C1CN 70844 [1,1,0,0,0,0|1,0,1]=4 207 B8R1.11 CCC1=C(C)N=CS1 60935 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.11 CCC1=CNN=C1C AC8755 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.11 CCN1C=CN=C1Br AT15593 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.11 CN1C=CC=C1CN 88916 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.11 CN1C=CC=C1CO D82110 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.11 CN1C=NC=C1CN Y14872 [1,1,0,0,0,0|0,0,0]=2 213 B8R1.11 CN1N=CC=C1CN AC1023 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.11 NCC1=C(Cl)C=CS1 38405 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.11 OCC1=C(Br)N=CS1 26511 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [0,1,0,0,0,1|1,0,1]=4 217 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [0,1,0,0,0,1|1,0,0]=3 219 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [0,1,0,0,0,1|2,0,0]=4 221 B10R1.4 CC1=CC=CN=C1CCN C80033 [0,1,0,0,0,1|1,0,1]=4 222 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [0,1,0,0,0,1|2,0,0]=4 223 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [0,1,0,0,0,1|1,0,1]=4 224 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [0,1,0,0,0,1|2,0,0]=4 225 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,1|1,0,1]=4 235 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,1,0,0,0,1|1,0,0]=3 243 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,1,0,0,0,1|1,0,1]=4 245 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,1,0,0,0,1|1,0,0]=3 246 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,1,0,0,0,1|1,0,0]=3 247 B10R1.17 NCCNC1=NC=CC=N1 C72507 [0,1,0,0,0,1|1,0,1]=4 248 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,1,0,0,0,1|1,0,0]=3 249 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,1,0,0,0,1|1,0,0]=3 250 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,1,0,0,0,1|1,0,1]=4 253 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.54 CC1=NOC(C[C@H](C)N)=C1 72329 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.21 CCNCCN1C=CN=C1 31914 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.27 COC(=O)CC1=CN=CN1 F53522 [0,2,0,0,0,0|1,0,1]=4 257 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.66 O=C(O)CCC1=CN=CN1 28308 [0,2,0,0,0,0|1,0,0]=3 259 B10R1.66 O=C(O)CCC1=CN=CS1 97779 [0,2,0,0,0,0|2,0,0]=4 260 B8R1.2 NCC1=CC=NC=C1 35876 [0,0,1,1,0,0|1,0,1]=4 261 B8R1.2 NCC1=CN=CN=C1 26963 [0,0,1,1,0,0|0,0,2]=4 262 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16351 [0,0,1,1,0,0|1,0,1]=4 263 B8R1.4 NC1=CN=CC(N)=C1 26714 [0,0,1,1,0,0|0,0,2]=4 264 B8R1.4 NC1=CN=CC(N)=N1 30602 [0,0,1,1,0,0|1,0,1]=4 265 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [0,0,0,1,0,1|1,0,0]=3 266 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [0,0,0,1,0,1|1,0,0]=3 267 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [0,0,0,1,0,1|1,0,0]=3 268 B10R2.7 C1=CN=C2CCNC2=C1 70854 [0,0,0,1,0,1|1,0,1]=4 269 B10R2.2 BrC1=NC2=C(CCC2)S1 52778 [0,1,0,1,0,0|2,0,0]=4 270 B10R2.2 NC1=NC2=C(CCC2)S1 54823 [0,1,0,1,0,0|2,0,0]=4 271 B10R2.136 C1=CN(C2CNC2)C=N1 F50488 [0,1,0,1,0,0|2,0,0]=4