0 B11R1.41 COC1=CC=CC=C1CC=O CS-W021065 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.41 COC1=CN=CC=C1CCN CS-0062123 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.41 N#CC1=CC=CC=C1CON CS-0080669 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 N#CCC1=CC=CC=C1CCl CS-0060569 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.41 OCCC1=CC=CC=C1CO CS-0099732 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.4 CC1=CC=CC=C1CC=O CS-0038162 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.4 CC1=CC=CC=C1CON CS-0080700 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.4 CC1=CC=CC=C1NC=O CS-0038689 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.4 CCNC1=CC=CC=C1O CS-0061529 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.4 NCCC1=NC=CC=C1Br CS-0052284 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.4 NNCC1=C(Br)C=CC=C1 CS-0053075 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 NNCC1=C(Cl)C=CC=C1 CS-0053073 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 NNCC1=C(F)C=CC=C1 CS-0053072 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 NNCC1=CC=CC=C1Cl CS-0036680 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 O=CCC1=CC=CC=C1Br CS-0038248 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.4 O=CCC1=CC=CC=C1Cl CS-0038107 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.4 O=CCC1=CC=CC=C1F CS-0038111 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.4 OCCC1=C(Br)C=NC=C1 CS-0112722 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.4 OCCC1=NC=CC=C1F CS-0052281 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 C#CC1=C(OC)C=CC=N1 CS-0059692 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.20 COC1=C(C#N)N=CC=C1 CS-0082321 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.20 COC1=C(CN)C=CN=C1 CS-0053363 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.20 COC1=C(OC)C=NC=C1 CS-0089788 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.20 COC1=CC=CN=C1CN CS-0071730 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.20 COC1=CN=CC=C1C=O CS-W005812 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.20 COC1=NC=CC=C1CCl CS-0036163 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.20 COC1=NC=CC=C1CN CS-0053527 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.20 COC1=NC=CN=C1CN CS-0109807 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.20 COC1=NC=CN=C1CN CS-0111727 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] CS-0048708 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.75 COC1=NC=CC=C1CC(=O)O CS-0106456 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.77 COC1=CC=CC=C1C(N)CO CS-0091305 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.121 O=CC1=CC=CC=C1OCCBr CS-0060469 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.268 CCOC1=C(OC)C=CC(Br)=C1 CS-0061640 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.542 COC1=C(C)C=CC=C1CON CS-0079769 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.542 COC1=C(F)C=CC=C1CON CS-0079767 [0,1,0,0,0,0|1,0,0]=2 36 B12R2.1 BrCC1=NOC2=C1C=CC=C2 CS-0085292 [0,0,0,1,0,0|2,0,1]=4 37 B12R2.1 NCC1COC2=C1C=CN=C2 CS-0094870 [0,0,0,1,0,0|1,0,0]=2 38 B12R2.24 CC1CNC2=CC=CC=C2S1 CS-0094330 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 CC1COC2=C(C=CC=C2)N1 CS-0037800 [0,0,0,1,0,0|2,0,0]=3 40 B12R2.24 CC1CSC2=CC=CC=C2N1 CS-0100717 [0,0,0,1,0,0|2,1,0]=4 41 B12R2.24 NC1CCC2=C(C1)N=CC=C2 CS-0102430 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.24 NC1CNC2=CC=CC=C2C1 CS-W021270 [0,0,0,1,0,0|1,0,0]=2 43 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 CS-0053286 [0,0,0,1,0,0|2,0,0]=3 44 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 CS-0053347 [0,0,0,1,0,0|2,0,0]=3 45 B12R2.41 C1=CC2=C(CCNCC2)N=C1 CS-0050471 [0,0,0,1,0,0|2,0,0]=3 46 B12R2.41 C1=CC=C2CCNCCC2=C1 CS-0052183 [0,0,0,1,0,0|1,0,0]=2 47 B12R2.41 C1=CN=C2CCCCNC2=C1 CS-0099941 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.315 C=CC1=C2CCOC2=CC=C1 CS-0033270 [0,0,0,1,0,0|2,0,1]=4 49 B12R2.315 COC1=CN=CC2=C1C=CN2 CS-W010984 [0,0,0,1,0,0|1,0,2]=4 50 B12R2.1081 CC1CCCC2=C1C=CC=N2 CS-0102351 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.1081 CC1CNCC2=C1C=CC=C2 CS-0038270 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.1081 CC1CNCC2=CC=CC=C21 CS-0036832 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.1081 NC1CCCC2=CC=CC=C21 CS-W007739 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.1081 O=C1NCCC2=C1N=CC=C2 CS-W019035 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.1081 OB1OCCC2=CC=CC=C12 CS-0100855 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.2048 COC1=CC=CC=C1[C@H]2CO2 CS-0053452 [0,0,0,1,0,0|1,0,0]=2 57 B12R2.2048 O=CC1=CC=CC=C1C2CC2 CS-0112242 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.8 C#CCC1=CC=CC=C1 CS-0112571 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.8 ClCCC1=NC=CC=C1 CS-0096286 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 NCCC1=NC=NC=C1 CS-0057455 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.8 NNCC1=CC=NC=C1 CS-0051151 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 NNCC1=CN=CC=C1 CS-0051688 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 NNCC1=NC=CC=C1 CS-0052228 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 C=CC1=CC=CC=C1C CS-0110436 [2,0,0,0,0,0|0,0,2]=4 66 B9R1.15 CC1=C(CBr)C=CC=N1 CS-0051711 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 CC1=C(CCl)C=CN=C1 CS-0051169 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CC1=CC=NC=C1CN CS-0053195 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.15 CC1=CN=CC=C1CO CS-0053354 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 CC1=NC=CN=C1CN CS-0089039 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 CCC1=C(Br)C=CN=C1 CS-0050991 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 CCC1=C(Br)C=CN=C1 CS-0050992 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 CCC1=CC=CN=C1C CS-0090913 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.15 CCC1=NC=CC=C1O CS-0036687 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 CNC1=C(N)C=CC=N1 CS-0046883 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 CNC1=CC=CC=C1N CS-W007682 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.15 COC1=C(C)C=NC=C1 CS-0081680 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.15 COC1=C(F)C=CC=N1 CS-W005457 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 COC1=C(N)C=CN=N1 CS-0081659 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 COC1=CC=CC=C1Cl CS-W018270 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.15 COC1=CC=NC=C1I CS-W006465 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 COC1=NC=CC=C1O CS-0096331 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.15 NCC1=C(Cl)C=CN=C1 CS-0047558 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 NCC1=CC=CC=C1O CS-0080161 [2,0,0,0,0,0|0,0,0]=2 85 B9R1.15 NCC1=CC=CC=C1O CS-D1655 [2,0,0,0,0,0|0,0,0]=2 86 B9R1.15 NCC1=CC=CN=C1F CS-0112238 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 NCC1=CC=CNC1=O CS-0109597 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.15 NCC1=NC=CC=C1F CS-0053866 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.17 OCCCC1=C(O)C=CN=C1 CS-0081574 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.81 CC1=CC(Br)=CC=C1CC#N CS-0103703 [1,1,0,0,0,0|0,0,2]=4 91 B11R1.81 FC1=CC(Br)=CC=C1CCBr CS-0105325 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.81 NCCC1=CC=C(Cl)C=C1Cl CS-0100895 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 CS-0038821 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.81 NNCC1=CC=C(F)C=C1Cl CS-0053074 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.86 N=C(N)CC1=CC=CC=C1Cl CS-0038731 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.182 C=CCC1=C(O)C=CC(Cl)=C1 CS-0074767 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.182 CC1=CC(CCO)=C(C)C=C1 CS-0061224 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.182 NCCC1=CC(Cl)=CC=C1Br CS-0100749 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.182 NCCC1=CC(Cl)=CC=C1Br CS-0100750 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.182 OCCC1=CC(F)=CC=C1F CS-0037438 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.222 CC1=CC=CC=C1C(=O)NN CS-0096270 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 CS-0104715 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.222 N[C@H](CO)C1=CC=CC=C1Cl CS-0035934 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.605 OCCC1=C(Cl)C=CC=C1F CS-0060364 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 CS-0061908 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.37 COC1=C(OC)N=CC(O)=C1 CS-0091271 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.37 COC1=CC(C)=CC=C1C#N CS-0100569 [1,1,0,0,0,0|0,0,2]=4 108 B11R1.37 COC1=CC(I)=CN=C1OC CS-0088441 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.37 COC1=CC(N)=CC=C1CO CS-0112710 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.37 COC1=CC=C(C)N=C1OC CS-0090997 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.37 COC1=CC=C(I)C=C1C=O CS-0110027 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.37 COC1=CC=C(N)N=C1OC CS-0036553 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.37 COC1=NC=C(Br)C=C1CO CS-0053164 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS-0052874 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.53 COC1=CC=CC=C1C(=N)N CS-0062382 [1,1,0,0,0,0|0,0,1]=3 116 B11R1.53 COC1=CC=CC=C1C(C)N CS-0089766 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.53 COC1=CN=CC=C1C(C)=O CS-0082296 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.53 NCC1=CC=CC=C1[N+](=O)[O-] CS-0100001 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.53 NCC1=CC=CC=C1[N+](=O)[O-] CS-0108771 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.265 COC1=C(C#N)C=CC=C1O CS-0061934 [1,1,0,0,0,0|0,0,2]=4 121 B11R1.265 COC1=C(OC)C(Cl)=CC=C1 CS-0099872 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.265 COC1=CC=CC(N)=C1OC CS-W016280 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.265 COC1=CN=CC(N)=C1OC CS-0089787 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.265 COC1=NC=CC(I)=C1OC CS-0081663 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.622 COC1=CC=CC=C1OC(F)(F)F CS-0087899 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.2209 COC1=CC=C(Br)C=C1C(=O)CBr CS-0094342 [0,2,0,0,0,0|1,0,1]=4 127 B13R1.2209 COC1=CC=C(Cl)C=C1C(=O)CBr CS-0100837 [0,2,0,0,0,0|1,0,1]=4 128 B13R1.2209 COC1=CC=C(F)C=C1C(=O)CBr CS-0093673 [0,2,0,0,0,0|1,0,1]=4 129 B13R1.1249 COC1=CC=C(CC#N)C(OC)=C1 CS-0103696 [0,2,0,0,0,0|0,0,2]=4 130 B13R1.1249 COC1=CC=C(CON)C(OC)=C1 CS-0093863 [0,2,0,0,0,0|1,0,0]=3 131 B13R1.90 COC1=NC=CC=C1CCC(=O)O CS-0039091 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.3910 CCOC1=CC=CC(F)=C1OCC CS-0061652 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.355 CCOC1=C(OC)C=CC(CO)=C1 CS-0061643 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.381 NCCC1=CC=CC=C1C(F)(F)F CS-0100898 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.267 COC1=C(F)C(CN)=CC=C1 CS-0091517 [0,0,1,1,0,0|1,0,1]=4 136 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 CS-0053490 [1,0,0,1,0,0|2,0,0]=4 137 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 CS-0053438 [1,0,0,1,0,0|2,0,0]=4 138 B11R2.20 C1=CC2=C(CNCC2)N=C1 CS-0050731 [1,0,0,1,0,0|1,0,0]=3 139 B11R2.20 C1=CC=C2CONCC2=C1 CS-0079743 [1,0,0,1,0,0|1,0,0]=3 140 B11R2.106 BrC1=CC=NC2=C1CCN2 CS-0051019 [1,0,0,1,0,0|2,0,0]=4 141 B11R2.106 ClC1=C2CCNC2=CC=N1 CS-0050951 [1,0,0,1,0,0|2,0,0]=4 142 B11R2.106 ClC1=CC=NC2=C1CCN2 CS-0050952 [1,0,0,1,0,0|2,0,0]=4 143 B11R2.106 ClC1=NC=CC2=C1CCN2 CS-D0299 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.106 FC1=C2CCNC2=CC=C1 CS-0060380 [1,0,0,1,0,0|1,0,0]=3 145 B11R2.106 NC1=CC=CC2=C1CCC2 CS-0069588 [1,0,0,1,0,0|2,0,0]=4 146 B11R2.106 NC1=CC=CC2=C1CCN2 CS-0105948 [1,0,0,1,0,0|1,0,0]=3 147 B11R2.106 OC1=CC=CC2=C1C=CN2 CS-D1727 [1,0,0,1,0,0|0,0,2]=4 148 B11R2.1 NC1CCC2=CC=NC=C21 CS-0077310 [1,0,0,1,0,0|2,0,0]=4 149 B11R2.1 NC1CCC2=NC=CC=C21 CS-0084861 [1,0,0,1,0,0|2,0,0]=4 150 B11R2.1 OC1COC2=CC=CN=C21 CS-0112101 [1,0,0,1,0,0|2,0,0]=4 151 B13R2.581 COC1=C2CC(=O)NC2=CC=N1 CS-0058506 [0,1,0,1,0,0|1,0,1]=4 152 B13R2.1613 COC1=C2NCCOC2=CC=C1 CS-0067786 [0,1,0,1,0,0|1,0,0]=3 153 B13R2.1613 NCC1CCCC2=C1N=CC=C2 CS-0102280 [0,1,0,1,0,0|2,0,0]=4 154 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 CS-0054741 [0,1,0,1,0,0|1,0,1]=4 155 B13R2.2931 NCC1OB(O)C2=CC=CC=C21 CS-0093703 [0,1,0,1,0,0|2,0,0]=4 156 B13R2.5252 O=C1CCCOC2=CC=CC=C12 CS-0006412 [0,1,0,1,0,0|1,0,1]=4 157 B13R2.5252 OC1CCCOC2=CC=CC=C21 CS-0060581 [0,1,0,1,0,0|1,0,0]=3 158 B13R2.623 COC1=C2OCOC2=CC(O)=C1 CS-0069216 [0,1,0,1,0,0|2,0,0]=4 159 B13R2.57 BrCC1COC2=CC=CC=C2O1 CS-0063856 [0,1,0,1,0,0|1,0,0]=3 160 B13R2.57 BrC[C@H]1COC2=CC=CC=C2O1 CS-0060603 [0,1,0,1,0,0|1,0,0]=3 161 B13R2.67 C1=CC=C2NCCCCCC2=C1 CS-0107191 [0,1,0,1,0,0|2,0,0]=4 162 B13R2.573 COC1=CC=CC2=C1COC2=O CS-0094318 [0,1,0,1,0,0|1,0,1]=4 163 B13R2.573 N#CC1=C2CC[C@H](N)C2=CC=C1 CS-0099888 [0,1,0,1,0,0|2,0,0]=4 164 B13R2.268 NOCC1=CC=CC=C1C2CC2 CS-0079704 [0,1,0,1,0,0|2,0,0]=4 165 B13R2.292 NCCC1=CC=CC2=C1C=CN2 CS-0096233 [0,1,0,1,0,0|1,0,1]=4 166 B13R2.155 O=C1COC2=CC=C(Br)C=C2C1 CS-0100344 [0,1,0,1,0,0|1,0,1]=4 167 B13R2.155 OC1CNC2=C(C=C(Br)C=C2)C1 CS-0096101 [0,1,0,1,0,0|2,0,0]=4 168 B13R2.611 COC1=C2C=CNC2=C(Br)C=C1 CS-0050074 [0,1,0,1,0,0|0,0,2]=4 169 B13R2.5179 O=C1NCCC2=CC(F)=CC=C12 CS-0036315 [0,1,0,1,0,0|2,0,0]=4 170 B13R3.2262 C1=CC2=C(C=C1)C3(CC3)CN2 CS-0052751 [0,0,0,2,0,0|2,0,0]=4 171 B13R3.2262 C1=CC=C2C(=C1)NCC23CC3 CS-0088470 [0,0,0,2,0,0|2,0,0]=4 172 B9R1.33 CC1=C(CCN)SC=N1 CS-0061205 [1,0,0,0,1,0|2,0,0]=4 173 B9R1.33 NCCC1=C(Br)SC=C1 CS-0106554 [1,0,0,0,1,0|2,0,0]=4