0 B10R1.4 CC1=CC=CC=C1CC#N CS-W019570 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.4 CC1=CC=CC=C1CCO CS-W021450 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.4 CC1=CC=CC=C1N=C=S CS-0021826 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.4 CCOC1=CC=CC=C1O CS-0040351 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.4 COCC1=CC=CC=C1O CS-W021443 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.4 N#CCC1=CC=CC=C1Br CS-W019568 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.4 N#CCC1=CC=CC=C1Cl CS-W020135 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.4 O\N=C\C1=CC=CC=C1F CS-W020474 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.8 N#CCC1=CC=CC=N1 CS-W019430 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 C=CC1=CC=CC=C1Br CS-W017069 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.15 C=CC1=CC=CC=C1Cl CS-W016485 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.15 CC1=C(C#N)C=NC=C1 CS-D1518 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.15 CC1=CN=CC=C1C#N CS-0037320 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.15 CCC1=CC=CC=C1Br CS-W016966 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.15 CCC1=CC=CC=C1I CS-0109507 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.15 COC1=C(Br)N=CC=C1 CS-W007501 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 COC1=C(Cl)C=NC=C1 CS-0030492 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 COC1=C(N)C=CC=N1 CS-W008209 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 COC1=CC=CN=C1F CS-0097752 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 N#CC1=CC=CC=C1F CS-W013567 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.15 N#CC1=CC=CC=C1N CS-W013598 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.15 NC1=C(CO)C=NC=C1 CS-0044077 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 NCC1=CC=CC=C1I CS-0096870 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.15 NNC1=CC=CC=C1Br CS-W013082 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 NNC1=CC=CC=C1F CS-W016106 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.15 O=CC1=CC=CC=C1F CS-W008891 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.15 OCC1=CC=CC=C1Cl CS-W016422 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.15 OCC1=CC=CN=C1F CS-D0977 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 CS-W016925 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.13 N#CCC1=C(F)C(Br)=CC=C1 CS-W013171 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.17 OCCCC1=CC=CC=C1Br CS-W021756 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.41 COC1=CC=CC=C1CC#N CS-0065824 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 CS-W018082 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.81 N#CCC1=CC=C(Cl)C=C1F CS-0015955 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl CS-0104661 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.86 CC(=O)CC1=CC=CC=C1Br CS-W007949 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.86 CC1=CC=CC=C1CC(=O)O CS-W018151 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.86 FC(F)OC1=CC=CC=C1I CS-W021254 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.86 NC(=S)NC1=CC=CC=C1Br CS-0093548 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.86 O=C(O)CC1=CC=CC=C1F CS-W020118 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 CS-W021657 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.182 N#CCC1=CC(Cl)=CC=C1Cl CS-0035806 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl CS-B1736 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl CS-W023063 [0,1,0,0,0,0|2,0,0]=3 49 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [0,0,0,1,0,0|1,0,1]=3 50 B11R2.20 C1=CC2=C(C=C1)NCCC2 CS-D1404 [0,0,0,1,0,0|2,0,0]=3 51 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS-D1679 [0,0,0,1,0,0|2,0,0]=3 52 B11R2.20 C1=NC=NC2=C1CNCC2 CS-W022271 [0,0,0,1,0,0|2,0,0]=3 53 B11R2.106 ClC1=CC=CC2=C1C=NN2 CS-M0440 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.106 FC1=CC=CC2=C1C=NN2 CS-D0834 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.106 NC1=C2C=NNC2=CC=C1 CS-0007645 [0,0,0,1,0,0|2,0,1]=4 56 B11R2.106 NC1=C2CCOC2=CC=C1 CS-W018648 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.2 CCC1=NC=CN=C1 CS-W021688 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 COC1=CN=CC=C1 CS-W008119 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 ICC1=CC=CC=C1 CS-W005987 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 NCC1=CC=NC=C1 CS-W007632 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.2 NCC1=NC=CN=C1 CS-0002045 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 NNC1=CC=CC=C1 CS-W014355 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 NOC1=CC=CC=C1 CS-0022011 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 OCC1=CC=NC=C1 CS-W007605 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 OCC1=NC=CC=C1 CS-W020042 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 CC1=C(F)N=CC=C1 CS-W016622 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 CC1=C(N)C=CN=C1 CS-D0975 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.5 CC1=C(N)C=NC=C1 CS-D0914 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.5 CC1=CC=NC=C1Br CS-W019971 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.5 CC1=CC=NC=C1Cl CS-W011140 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 FC1=CC=CC=C1Br CS-B1543 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 IC1=CC=CC=C1I CS-W007538 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 NC1=CC=CN=C1Cl CS-W019980 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 NC1=CC=CN=C1I CS-W019772 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 NC1=CC=CNC1=O CS-W004662 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.5 NC1=CC=CNC1=S CS-B0792 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.1 C=CCC1=CC=C(C)C=C1 CS-0109480 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.1 CC1=CC=C(CC#N)C=C1 CS-W020586 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.1 N#CCC1=CC=C(Cl)C=C1 CS-W018106 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-B1210 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.10 CC1=CC(CC#N)=CC=C1 CS-W005445 [1,1,0,0,0,0|0,0,2]=4 85 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS-W018107 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.10 NCCC1=CC(Cl)=CC=C1 CS-W005099 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.10 OCCC1=CC(Br)=CC=C1 CS-W007864 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.17 OCC#CC1=CC=CC=C1 CS-W007420 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.18 CC(C)NC1=CC=CC=C1 CS-W019925 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.2 CC1=C(C#N)C=CC=C1Br CS-W004918 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.2 COC1=C(Cl)C(N)=CC=C1 CS-B0018 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.2 COC1=C(F)C(Cl)=CC=C1 CS-W021315 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.2 COC1=C(F)C(F)=CC=C1 CS-W002796 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.2 COC1=CC=CC(C)=C1C CS-M2533 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.2 COC1=CC=CC(Cl)=C1N CS-W019133 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.2 NCC1=C(F)C(Br)=CC=C1 CS-W006679 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.2 OCC1=C(F)C(F)=CC=C1 CS-W016400 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.2 OCC1=CC=CC(Br)=C1Cl CS-0097352 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.2 OCC1=CC=CC(Br)=C1F CS-W021084 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.20 CNC1=NC=CC=C1CO CS-W023173 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.20 COC1=CC=CC=C1C#N CS-W007580 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.20 COC1=CC=CC=C1C=O CS-W018515 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.20 COC1=CC=CC=C1OC CS-B1822 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.20 ClCC1=C(CCl)N=CC=C1 CS-0060363 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.25 CC1=C(C#N)C=CC(N)=C1 CS-W018776 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.25 CC1=CC(Br)=CC=C1CN CS-0030807 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.25 CC1=CC(C)=C(CCl)N=C1 CS-W005011 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 CS-W014730 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.25 COC1=CC=C(Br)C=C1F CS-D0985 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 COC1=CC=C(Br)N=C1C CS-0063878 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 COC1=CC=C(N)C=C1F CS-W008832 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 COC1=CC=C(O)C=C1C CS-0059284 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 CS-W016175 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.25 NCC1=C(F)C=C(F)C=C1 CS-W018261 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.25 NNC1=C(F)C=C(F)C=C1 CS-W016004 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 OCC1=CC=C(Br)C=C1F CS-0040412 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.30 CC1=CC(NN)=C(C)C=C1 CS-W008218 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.30 CC1=CC=C(Br)C=C1C#N CS-W007610 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.30 CC1=CC=C(I)C=C1C#N CS-0098107 [1,1,0,0,0,0|0,0,2]=4 126 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS-W007360 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS-W008098 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.30 COC1=CC(Cl)=CC=C1Br CS-W019965 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=CC(F)=CC=C1N CS-B0927 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=CC(O)=CC=C1F CS-W022178 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 CS-W022346 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.30 OCC1=CC(Br)=CC=C1F CS-0043011 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 CC(=O)C1=CC=CC=C1C CS-W013374 [1,1,0,0,0,0|0,0,1]=3 134 B10R1.61 CC(=O)C1=CC=CC=C1Cl CS-W010929 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.61 CC(=O)C1=CC=CC=C1I CS-W007878 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS-M1701 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.61 CN(C)C1=CC=CC=C1Br CS-0015849 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 C[C@H](N)C1=CC=CC=C1Br CS-0000338 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.61 NC(=O)C1=CC=CC=C1Br CS-0038446 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.245 COC1=C(Cl)C=CC=C1F CS-W013269 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.245 NC1=CC=CC(Cl)=C1CO CS-0031475 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.245 NCC1=C(F)C=CC=C1Cl CS-B0077 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.371 CC1=C(NC(=S)NN)C=CC=C1 CS-W017148 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.75 COC1=CC=CC=C1CC(=O)O CS-D0984 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.283 NCCC1=CC=CC=C1[N+](=O)[O-] CS-0111709 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.270 COC1=CC=C(Br)C(CCO)=C1 CS-0099777 [0,2,0,0,0,0|2,0,0]=4 153 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [1,0,0,1,0,0|1,0,1]=4 154 B10R2.7 C1=CC2=C(C=C1)SCS2 CS-0040606 [1,0,0,1,0,0|2,0,0]=4 155 B10R2.7 C1=CC=C2NN=NC2=C1 CS-D1407 [1,0,0,1,0,0|2,0,0]=4 156 B10R2.7 C1=CC=C2OCCC2=C1 CS-M0160 [1,0,0,1,0,0|1,0,0]=3 157 B12R2.82 CC1=C(N)C=CC2=C1C=NN2 CS-W022209 [0,1,0,1,0,0|1,0,1]=4 158 B12R2.202 CC1=C2N=C(N)SC2=CC=C1 CS-W014311 [0,1,0,1,0,0|1,0,1]=4 159 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 CS-W022163 [0,1,0,1,0,0|1,0,1]=4 160 B12R2.1081 BrC1=C2OCCOC2=CC=C1 CS-0114016 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.1081 NC1CCOC2=C1C=CC=C2 CS-W019884 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS-D0598 [0,1,0,1,0,0|1,0,1]=4 163 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 CS-0040536 [0,1,0,1,0,0|2,0,0]=4 164 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 CS-0096854 [0,1,0,1,0,0|0,0,0]=2 165 B12R2.24 ClC1=CC=C2CNCCC2=C1 CS-W005061 [0,1,0,1,0,0|0,0,0]=2 166 B12R2.24 FC1=CC=C2CNCCC2=C1 CS-0028393 [0,1,0,1,0,0|0,0,0]=2 167 B12R2.24 FC1=CC=C2NCCCC2=C1 CS-W007199 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.24 O=C1C=CC2=C(CCCC2)N1 CS-0080927 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.32 OCC1CC2=CC=CC=C2O1 CS-0031351 [0,1,0,1,0,0|1,0,0]=3 170 B12R2.196 O=C1CCC2=C(F)C=CC=C12 CS-0001929 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.315 NCC1=CC=CC2=C1C=CN2 CS-0039164 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.11 CN1C=CN=C1CN CS-0030791 [1,0,0,0,1,0|2,0,0]=4