0 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [0,0,0,0,0,0|1,1,0]=2 2 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 NCC1=CC(=O)N=CN1 38507 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 NNCC1=CC=NC=C1 78931 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11427 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12191 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13726 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y13727 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 C73755 [0,1,0,0,0,0|2,1,0]=4 20 B11R1.24 CCNCC1=CC(Br)=CN=C1 78915 [0,1,0,0,0,0|2,1,0]=4 21 B11R1.24 FCCOC1=NC=CC(Br)=C1 D96604 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.34 CCCC1=CC(O)=CC(O)=C1 W19028 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 D96393 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.189 N#CC1=CC(CCO)=CN=C1 AC4675 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.189 N#CC1=CC(CCO)=NC=C1 70905 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.189 NCC1=CC=CC(CCO)=C1 O10460 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.192 CCOC1=CC(Cl)=C(N)C=C1 Y14111 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.192 OCCC1=CC(Br)=C(Cl)N=C1 P15946 [0,1,0,0,0,0|2,1,0]=4 30 B11R2.35 ClC1=NC(C2CC2)=CN=C1 AT10664 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.36 ClC1=CN=C2CNCC2=C1 E70352 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.36 ClC1=NC2=C(C=C1)COC2 83487 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.36 OC1=CC2=C(C=C1)NN=N2 A12615 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [0,0,0,1,0,0|1,0,1]=3 37 B11R2.106 ClC1=C2NN=CC2=CN=C1 79009 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.106 ClC1=NC=CC2=C1NCC2 P18820 [0,0,0,1,0,0|1,0,0]=2 39 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [0,0,0,1,0,0|1,1,0]=3 40 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.4 NC1=CC(I)=NC=C1 D96556 [2,0,0,0,0,0|1,1,0]=4 44 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.8 CC1=CC(Br)=CC(CN)=N1 C76956 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.8 COC1=CC(=O)NC(Cl)=C1 AC8282 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.8 NCC1=CC(F)=CC(O)=C1 Y14108 [1,1,0,0,0,0|0,1,0]=3 54 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 D72178 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.30 ClCC1=CC(Cl)=CN=C1Br C71880 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11109 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [1,1,0,0,0,0|1,1,0]=4 65 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 90835 [1,1,0,0,0,0|1,1,0]=4 66 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [1,1,0,0,0,0|1,1,0]=4 70 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [1,1,0,0,0,0|1,1,0]=4 71 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [1,1,0,0,0,0|0,1,0]=3 78 B10R1.176 NCC1=CN=C(Cl)C(Cl)=C1 D79849 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y13918 [0,2,0,0,0,0|0,1,1]=4 84 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y13919 [0,2,0,0,0,0|0,1,1]=4 85 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y13684 [0,2,0,0,0,0|0,0,1]=3 86 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y13685 [0,2,0,0,0,0|0,0,1]=3 87 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y13924 [0,2,0,0,0,0|0,1,1]=4 88 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y13925 [0,2,0,0,0,0|0,1,1]=4 89 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y11001 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12148 [0,2,0,0,0,0|1,1,0]=4 91 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12149 [0,2,0,0,0,0|1,1,0]=4 92 B12R1.354 CC1=CC([C@@H](N)CO)=C(F)C=C1 D96394 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12137 [0,2,0,0,0,0|1,1,0]=4 94 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12138 [0,2,0,0,0,0|1,1,0]=4 95 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12488 [0,2,0,0,0,0|1,1,0]=4 96 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12489 [0,2,0,0,0,0|1,1,0]=4 97 B12R1.354 CC[C@H](N)C1=C(N)C=CC(F)=C1 Y12998 [0,2,0,0,0,0|1,1,0]=4 98 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14074 [0,2,0,0,0,0|1,1,0]=4 99 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14075 [0,2,0,0,0,0|1,1,0]=4 100 B12R1.354 NC1=C([C@@H](N)CO)C=C(F)C=C1 Y14292 [0,2,0,0,0,0|1,1,0]=4 101 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 Y13969 [0,2,0,0,0,0|0,1,0]=3 102 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14076 [0,2,0,0,0,0|1,1,0]=4 103 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14077 [0,2,0,0,0,0|1,1,0]=4 104 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12158 [0,2,0,0,0,0|1,1,0]=4 105 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13827 [0,2,0,0,0,0|1,1,0]=4 106 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y13828 [0,2,0,0,0,0|1,1,0]=4 107 B12R1.354 N[C@@H](CO)C1=C(O)C=CC(F)=C1 Y14300 [0,2,0,0,0,0|1,1,0]=4 108 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y11502 [0,2,0,0,0,0|1,1,0]=4 109 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y11570 [0,2,0,0,0,0|1,1,0]=4 110 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y14617 [0,2,0,0,0,0|1,1,0]=4 111 B12R1.367 O[C@@H](CCl)C1=CC(F)=C(F)C=C1 I11943 [0,2,0,0,0,0|1,1,0]=4 112 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 D96377 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 Y10824 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 Y13892 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.435 N[C@@H](CO)C1=CC=CC(CO)=C1 Y14080 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.435 N[C@@H](CO)C1=CC=CC(CO)=C1 Y14081 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.435 N[C@@H](CO)C1=CC=CC(CO)=C1 Y14302 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [0,2,0,0,0,0|0,1,0]=3 119 B12R1.226 N=C(N)NCC1=CC=CC(I)=C1 A10378 [0,2,0,0,0,0|0,1,1]=4 120 B12R1.279 CCCC1=CC=CC(C(=O)O)=C1 A10610 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,0,1,1,0,0|0,0,2]=4 122 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [1,0,0,1,0,0|0,0,0]=2 123 B12R2.81 CC1=CC=CC(C2CC2)=C1N 60035 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.202 N[C@H]1CC2=CC=CC(F)=C2C1 Y10224 [0,1,0,1,0,0|0,1,0]=3 125 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Y13909 [0,1,0,1,0,0|0,1,0]=3 126 B12R2.1081 ClC1=C2CCCCC2=NC=C1 O11216 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.1081 ClC1=NC=CC2=C1CCCC2 53693 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.1081 FC1=C2CCCCC2=CC=C1 Y14505 [0,1,0,1,0,0|1,1,0]=4 129 B12R2.1081 NC1=C2COCCC2=CC=C1 W16157 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.1081 NC1=NC=CC2=C1NCCC2 C16827 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13240 [0,1,0,1,0,0|1,1,0]=4 132 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y13296 [0,1,0,1,0,0|1,1,0]=4 133 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y10762 [0,1,0,1,0,0|1,1,0]=4 134 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 Y14815 [0,1,0,1,0,0|1,1,0]=4 135 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,1,0,1,0,0|1,0,0]=3 136 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,1,0,1,0,0|1,0,0]=3 137 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11238 [0,1,0,1,0,0|1,1,0]=4 138 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11251 [0,1,0,1,0,0|1,0,0]=3 139 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11266 [0,1,0,1,0,0|1,1,0]=4 140 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,1,0,0|1,1,0]=4 141 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 F53633 [0,1,0,1,0,0|1,1,0]=4 142 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 32920 [0,1,0,1,0,0|1,1,0]=4 143 B12R2.24 BrC1=CN=C2CNCCC2=C1 P11645 [0,1,0,1,0,0|1,1,0]=4 144 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 SC4247 [0,1,0,1,0,0|1,1,0]=4 145 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,1,0,1,0,0|1,0,0]=3 146 B12R2.24 ClC1=NC2=C(C=C1)CCCO2 AT13335 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.24 ClC1=NC2=C(C=C1)COCC2 83359 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.24 ClC1=NC=C2CCCCC2=C1 77586 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.24 ClC1=NC=C2CNCCC2=C1 AC3838 [0,1,0,1,0,0|1,0,0]=3 150 B12R2.24 OC1=NC=C2CNCCC2=C1 66263 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N16517 [0,1,0,1,0,0|0,1,0]=3 152 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 Y14814 [0,1,0,1,0,0|0,1,0]=3 153 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11260 [0,1,0,1,0,0|0,0,0]=2 154 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 Y13416 [0,1,0,1,0,0|0,0,0]=2 155 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 59813 [0,1,0,1,0,0|0,1,0]=3 156 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11267 [0,1,0,1,0,0|0,1,0]=3 157 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11268 [0,1,0,1,0,0|0,1,0]=3 158 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,1,0,0|1,1,0]=4 159 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 Y11203 [0,1,0,1,0,0|1,0,0]=3 160 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,1,0,0|0,1,0]=3 161 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,1,0,0|0,1,0]=3 162 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11241 [0,1,0,1,0,0|0,1,0]=3 163 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N11265 [0,1,0,1,0,0|0,0,0]=2 164 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 Y13417 [0,1,0,1,0,0|0,0,0]=2 165 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14817 [0,1,0,1,0,0|0,1,0]=3 166 B12R2.612 OB1OCC2=C1C=CC(Cl)=C2 W19267 [0,1,0,1,0,0|2,0,0]=4 167 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.1316 NC1=CC(C2CC2)=C(Cl)C=C1 AT14313 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.43 BrCC1=CC(C2CC2)=CC=C1 36647 [0,1,0,1,0,0|1,1,0]=4 170 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 C12642 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.44 O=CC1=CC2=C(C=C1)NCC2 F16225 [0,1,0,1,0,0|1,0,0]=3 172 B12R2.315 C#CC1=C2CCCC2=CC=C1 D72362 [0,1,0,1,0,0|2,0,0]=4 173 B12R2.315 COC1=C2NCCC2=CC=C1 Y14696 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.1 NCC1=CC=C(F)S1 38845 [1,0,0,0,1,0|1,1,0]=4 175 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [1,0,0,0,1,0|2,0,0]=4 176 B8R1.8 NCCC1=CN=CS1 S10751 [1,0,0,0,1,0|2,0,0]=4