0 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 COC(=O)C1=NC=CN1 M11275 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.11 COC(=O)C1=NC=CS1 M40994 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 CC(=O)C1=NC=CN1 K67604 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.7 CC(=O)C1=NC=CS1 A22587 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,0,0,0,0,0|1,1,0]=3 12 B8R1.7 CC(C)C1=NC=CN1 P67407 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 CC(C)C1=NNC=C1 P9834 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 CC(C)N1C=CC=N1 P41426 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 CC(C)N1C=CN=N1 P41243 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.7 N=C(N)C1=NC=CS1 T8198 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.7 NC(=O)C1=NC=CS1 T61005 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 O=C(O)C1=NC=CS1 T9224 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.8 BrCCN1N=CC=N1 B37102 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.8 CCNC1=NC=CS1 E41366 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.8 CCOC1=NC=CS1 E41172 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.8 N#CCC1=CC=CS1 T39260 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.8 N#CCC1=NC=CS1 T10963 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.8 NCCC1=CN=CS1 T41396 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.8 NCCC1=NC=CN1 K41400 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.8 NCCC1=NN=CS1 T11221 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.8 NCCC1=NN=CS1 T13923 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.8 NNCC1=CC=CS1 H13973 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.8 OCCC1=CNC=N1 I10449 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.8 OCCN1C=CC=N1 P41188 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.8 OCCN1N=CC=N1 T63142 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.9 COC(OC)C1=NNC=C1 D41434 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [0,1,0,0,0,0|1,1,1]=4 47 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.11 CCOC(=O)C1=NN=CS1 T67360 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.14 COC(=O)C1=NC=C(Br)S1 M17507 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.14 COC(=O)C1=NC=C(N)S1 M14283 [0,1,0,0,0,0|2,0,1]=4 55 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,0,0,1,0,0|2,0,1]=4 56 B10R2.32 O[C@H]1CCN2C=CN=C12 P60959 [0,0,0,1,0,0|2,0,0]=3 57 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,0,0,0,0,1|2,0,0]=3 63 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,0,0,0,0,1|3,0,0]=4 72 B7R1.1 BrCC1=NC=CN1 B40117 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.1 C=CC1=NC=CS1 V41009 [2,0,0,0,0,0|0,0,2]=4 74 B7R1.1 CCC1=NC=CN1 E68629 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.1 CCC1=NN=CO1 E37555 [2,0,0,0,0,0|1,1,0]=4 76 B7R1.1 CNC1=NC=CS1 M67793 [2,0,0,0,0,0|1,0,0]=3 77 B7R1.1 CNC1=NC=NS1 M32356 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.1 COC1=CC=CS1 M41123 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 COC1=NC=CS1 M2608 [2,0,0,0,0,0|1,0,0]=3 80 B7R1.1 CSC1=NC=CO1 M40164 [2,0,0,0,0,0|1,1,0]=4 81 B7R1.1 ClCC1=NC=CO1 C40107 [2,0,0,0,0,0|1,1,0]=4 82 B7R1.1 N#CC1=NC=CS1 C15601 [2,0,0,0,0,0|1,0,1]=4 83 B7R1.1 NCC1=CC=CS1 A12813 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.1 NCC1=NC=CN1 A14237 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 NCC1=NC=CN1 K40331 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 NCC1=NC=CS1 A11223 [2,0,0,0,0,0|1,0,0]=3 87 B7R1.1 NCC1=NC=CS1 T11224 [2,0,0,0,0,0|1,0,0]=3 88 B7R1.1 NCC1=NC=CS1 T24256 [2,0,0,0,0,0|1,0,0]=3 89 B7R1.1 NNC1=NC=CS1 H39914 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.1 O=CC1=NC=CS1 T2877 [2,0,0,0,0,0|1,0,1]=4 91 B7R1.1 OCC1=CC=CS1 T12815 [2,0,0,0,0,0|2,0,0]=4 92 B7R1.1 OCC1=NC=CN1 I38716 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.1 OCC1=NC=CO1 X14019 [2,0,0,0,0,0|1,1,0]=4 94 B7R1.1 OCC1=NC=CS1 H3028 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.19 CC(C)(C)C1=NC=CN1 D1577 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.19 CC(C)(C)C1=NNC=C1 B1379 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.19 CC(C)(C)N1C=CC=N1 B20476 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.19 CC(C)(O)C1=NC=CS1 D5833 [1,1,0,0,0,0|0,0,0]=2 99 B9R1.19 C[Si](C)(C)C1=NC=CS1 T2744 [1,1,0,0,0,0|0,1,0]=3 100 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [1,1,0,0,0,0|1,0,1]=4 102 B9R1.35 CC(C)C1=CN=C(Br)S1 B43292 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.35 CC(C)C1=CN=C(N)S1 P67827 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.35 CC(C)C1=CSC(Br)=N1 B43291 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [1,1,0,0,0,0|0,0,0]=2 106 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [1,1,0,0,0,0|0,0,0]=2 107 B9R1.35 CC(C)C1=NN=C(Br)S1 B64862 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.35 CC(C)C1=NN=C(N)N1 P40374 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.35 CC(C)C1=NN=C(N)O1 A12272 [1,1,0,0,0,0|1,1,0]=4 110 B9R1.35 CC(C)C1=NN=C(N)S1 A41253 [1,1,0,0,0,0|1,0,0]=3 111 B9R1.35 CC(C)C1=NOC(N)=C1 P41431 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.35 CC(C)N1C=C(Br)C=N1 B43323 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.35 CC(C)N1C=C(N)C=N1 P41490 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [1,1,0,0,0,0|0,0,0]=2 115 B9R1.35 FC(F)C1=NC=C(Br)S1 B13058 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [1,1,0,0,0,0|1,0,0]=3 117 B9R1.7 CCCC1=NOC(N)=C1 P41430 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.7 CCCN1C=C(Br)C=N1 B9822 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [1,1,0,0,0,0|1,0,0]=3 120 B9R1.7 COCC1=NN=C(N)S1 M40224 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.7 N#CCC1=NC=C(Br)S1 B13060 [1,1,0,0,0,0|1,0,1]=4 122 B9R1.7 N#CCC1=NC=C(Cl)S1 C13061 [1,1,0,0,0,0|1,0,1]=4 123 B9R1.12 CCCCC1=NC=CN1 B43788 [1,1,0,0,0,0|1,0,0]=3 124 B9R1.12 CCOCC1=CC=CO1 E38338 [1,1,0,0,0,0|1,1,0]=4 125 B9R1.12 ICCCC1=CC=CS1 K46278 [1,1,0,0,0,0|1,0,0]=3 126 B9R1.12 OCCCC1=CC=CS1 T36724 [1,1,0,0,0,0|1,0,0]=3 127 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.12 CCB(CC)C1=CC=CN=C1 D50430 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.12 COC(OC)C1=NC=NC=C1 D14447 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.30 CCOC(=O)CC1=NC=CS1 E46416 [0,1,0,0,0,1|1,0,1]=4 134 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 E7894 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.15 CCO[C@@H](C)N1C=C(I)C=N1 E43750 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.29 CNCC[C@@H](O)C1=CC=CS1 M47068 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.29 CNCC[C@H](O)C1=CC=CS1 M47069 [0,2,0,0,0,0|2,0,0]=4 138 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [1,0,0,1,0,0|2,0,0]=4 139 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [1,0,0,1,0,0|2,0,0]=4 140 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [1,0,0,1,0,0|1,0,0]=3 141 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [1,0,0,1,0,0|2,0,0]=4 142 B9R2.3 C1=CN2CCCC2=N1 D63557 [1,0,0,1,0,0|1,0,0]=3 143 B9R2.3 C1=NN2CCCC2=C1 D16430 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,0,0,1,0,1|1,0,0]=3 145 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,0,1|2,0,0]=4 146 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,0,1|2,0,0]=4 147 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [0,0,0,1,0,1|2,0,0]=4 148 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [0,0,0,1,0,1|2,0,0]=4 149 B11R2.40 NC1(C2=NC=CC=N2)CC1 P14441 [0,0,0,1,0,1|2,0,0]=4 150 B11R2.40 NC1(C2=NC=CC=N2)CC1 P31233 [0,0,0,1,0,1|2,0,0]=4 151 B11R2.40 NC1(C2=NC=CN=C2)CC1 P14585 [0,0,0,1,0,1|2,0,0]=4 152 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,0,1,0,1|2,0,0]=4 154 B11R2.57 OC1(C2=NC=CS2)COC1 T5878 [0,1,0,1,0,0|1,0,0]=3 155 B11R2.2 C1=CSC(C2OCCO2)=N1 D13513 [0,1,0,1,0,0|1,0,0]=3 156 B11R2.106 C[C@@H]1NCCN2C=CC=C12 T46975 [0,1,0,1,0,0|1,0,1]=4 157 B11R2.106 C[C@H]1CCNC2=CC=NN21 M63835 [0,1,0,1,0,0|2,0,0]=4 158 B11R2.106 C[C@H]1CNCC2=CC=NN21 M20706 [0,1,0,1,0,0|2,0,0]=4 159 B11R2.353 CC1(N2C=C(Br)C=N2)CC1 B60195 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,0,0,0,0,1|1,0,0]=3 161 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,0,0,0,0,1|2,0,0]=4 163 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,0,0,0,0,1|2,0,0]=4 164 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,0,0,0,0,1|2,0,0]=4 165 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,0,0,0,0,1|2,0,0]=4 166 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,0,0,0,0,1|2,0,0]=4 167 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,0,0,0,0,1|2,0,0]=4 168 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,0,0,0,0,1|2,0,0]=4 169 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,0,0,0,0,1|2,0,0]=4 170 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,0,0,0,0,1|2,0,0]=4 171 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,0,0,0,0,1|2,0,0]=4 172 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,0,0,0,0,1|2,0,0]=4 173 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,0,0,0,0,1|2,0,0]=4 174 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,0,0,0,0,1|2,0,0]=4 175 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,0,0,0,0,1|2,0,0]=4 176 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,1|1,0,0]=3 177 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,1|1,0,0]=3 178 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,0,0,0,1|2,0,0]=4 179 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,1|2,0,0]=4 180 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,0,0,0,0,1|2,0,0]=4 181 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,0,0,0,0,1|2,0,0]=4 182 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,0,0,0,1|2,0,0]=4 183 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,1|2,0,0]=4 184 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,1|2,0,0]=4 185 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,1|2,0,0]=4 186 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,1|2,0,0]=4 187 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,1|2,0,0]=4 188 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,1|2,0,0]=4 189 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,1|2,0,0]=4