0 B7R1.1 BrCC1=CSC=C1 CS-0019157 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 CCC1=NN=CO1 CS-0028803 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 COC1=CSC=C1 CS-W008023 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.1 COC1=NC=CS1 CS-W005816 [0,0,0,0,0,0|3,1,0]=4 4 B7R1.1 ClCC1=CN=CS1 CS-W006753 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.1 ClCC1=NC=CO1 CS-D0011 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.1 N#CC1=CC=CO1 CS-W016667 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.1 N#CC1=CC=CS1 CS-W004699 [0,0,0,0,0,0|1,1,1]=3 8 B7R1.1 N#CC1=CN=CS1 CS-W006024 [0,0,0,0,0,0|2,1,1]=4 9 B7R1.1 N#CC1=CNC=C1 CS-W006281 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 N#CC1=CNC=N1 CS-W005112 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 N#CC1=NC=CO1 CS-0103521 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.1 NCC1=CC=CS1 CS-W007649 [0,0,0,0,0,0|1,1,1]=3 13 B7R1.1 NCC1=CN=CN1 CS-W019760 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 NCC1=CN=CN1 CS-W020523 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.1 NCC1=COC=N1 CS-W022227 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.1 NNC1=NC=CS1 CS-W021702 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.1 O=CC1=CNC=C1 CS-D1061 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.1 O=CC1=CNC=N1 CS-D1058 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 O=CC1=COC=C1 CS-M0782 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.1 O=CC1=CSC=N1 CS-W007683 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.1 O=CC1=NC=CN1 CS-W007321 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,0,0,0,0,0|1,0,2]=3 23 B7R1.1 OCC1=CN=CS1 CS-W013621 [0,0,0,0,0,0|1,1,2]=4 24 B7R1.1 OCC1=COC=C1 CS-W007708 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.1 OCC1=NC=CS1 CS-0028735 [0,0,0,0,0,0|1,1,2]=4 26 B7R1.1 OCC1=NNC=C1 CS-0052530 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 BrC1=CN=CS1 CS-D1067 [1,0,0,0,0,0|2,1,0]=4 28 B6R1.2 CC1=CC=CS1 CS-W011331 [1,0,0,0,0,0|0,1,1]=3 29 B6R1.2 CC1=COC=N1 CS-0028372 [1,0,0,0,0,0|2,0,1]=4 30 B6R1.2 CC1=NN=CO1 CS-W018813 [1,0,0,0,0,0|2,0,1]=4 31 B6R1.2 CN1C=CC=N1 CS-W023191 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 ClC1=NNC=C1 CS-W021893 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 IC1=NNC=C1 CS-D0881 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 NC1=CC=NN1 CS-0032811 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,0,0,0|1,0,1]=3 36 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,0,0,0|0,0,1]=2 37 B6R1.2 O=C1C=CNN1 CS-W004179 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.1 CC1=CC=C(C#N)N1 CS-0102744 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.1 CC1=CC=C(C=O)S1 CS-W018539 [0,1,0,0,0,0|0,1,0]=2 40 B8R1.1 CC1=NC=C(C=O)O1 CS-W021727 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.1 CN1C=C(C=O)C=N1 CS-W019871 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.1 ClCC1=CC=C(Cl)S1 CS-W017849 [0,1,0,0,0,0|1,1,1]=4 43 B8R1.1 N#CC1=CC(Br)=CN1 CS-0063849 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 N#CC1=CC(Br)=CS1 CS-0053899 [0,1,0,0,0,0|1,1,1]=4 45 B8R1.1 N#CC1=CC(Cl)=CS1 CS-W006737 [0,1,0,0,0,0|1,1,1]=4 46 B8R1.1 NC1=NC=C(C=O)S1 CS-W019930 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.1 O=CC1=CC(Br)=CS1 CS-W005050 [0,1,0,0,0,0|0,1,0]=2 48 B8R1.1 O=CC1=CC(I)=CS1 CS-0041659 [0,1,0,0,0,0|0,1,0]=2 49 B8R1.1 O=CC1=CSC(Br)=N1 CS-W010715 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.1 OCC1=CC(Br)=NO1 CS-0031362 [0,1,0,0,0,0|1,0,2]=4 51 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.7 N=C(N)N1C=CC=N1 CS-W017748 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.7 NC(=O)C1=NC=CS1 CS-0030426 [0,1,0,0,0,0|1,1,0]=3 55 B8R1.7 NC(=O)C1=NN=CN1 CS-W021700 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,1,0,0,0,0|0,1,0]=2 57 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,1,0,0,0,0|1,0,2]=4 58 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.7 O=C(O)C1=CSN=N1 CS-0038011 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [0,1,0,0,0,0|0,1,0]=2 63 B8R1.7 O=[N+]([O-])C1=NNC=C1 CS-W002457 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.8 CNCC1=CC=CS1 CS-W018825 [0,1,0,0,0,0|1,1,1]=4 65 B8R1.8 NCCC1=CC=CO1 CS-B1143 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.8 OCCC1=CC=CS1 CS-W020421 [0,1,0,0,0,0|0,1,2]=4 67 B8R1.11 CC1=NNC=C1C=O CS-W019932 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 CN1C=CN=C1C=O CS-W009259 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.11 N#CC1=C(Cl)C=CS1 CS-0040857 [0,1,0,0,0,0|1,1,1]=4 70 B8R1.11 N#CC1=CC=CN1N CS-0052647 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.2 C#CC1=CN=CC=N1 CS-0044099 [0,0,0,0,0,1|2,0,1]=4 72 B8R1.2 CNC1=CC=NC=C1 CS-W013674 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.2 COC1=CC=CC=N1 CS-W009307 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.2 COC1=CC=CN=N1 CS-W021957 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.2 COC1=CC=NC=C1 CS-W007634 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.2 ClCC1=CC=CC=N1 CS-W007502 [0,0,0,0,0,1|2,0,1]=4 78 B8R1.2 ClCC1=CC=NC=C1 CS-W016094 [0,0,0,0,0,1|2,0,1]=4 79 B8R1.2 N#CC1=NC=CN=C1 CS-W008971 [0,0,0,0,0,1|2,0,1]=4 80 B8R1.2 NCC1=CC=CC=N1 CS-W007488 [0,0,0,0,0,1|2,0,1]=4 81 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [0,0,0,0,0,1|2,0,1]=4 82 B8R1.2 NCC1=NC=CC=N1 CS-D1165 [0,0,0,0,0,1|2,0,1]=4 83 B8R1.2 NN=C1C=CNC=C1 CS-W004835 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.2 NNC1=NC=CC=N1 CS-W005381 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [0,0,0,0,0,1|1,0,0]=2 86 B8R1.2 O=CC1=CC=NC=C1 CS-D1135 [0,0,0,0,0,1|1,0,0]=2 87 B8R1.2 OCC1=CC=CN=C1 CS-4356 [0,0,0,0,0,1|1,0,2]=4 88 B8R1.2 OCC1=NN=CC=C1 CS-W005032 [0,0,0,0,0,1|1,0,2]=4 89 B8R1.2 ONC1=CC=CC=C1 CS-W007515 [0,0,0,0,0,1|2,0,1]=4 90 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,1,0,0,0|1,0,0]=3 91 B7R1.2 BrC1=CSC(Br)=C1 CS-M0432 [1,1,0,0,0,0|1,1,0]=4 92 B7R1.2 CC1=CC=C(Br)S1 CS-W017381 [1,1,0,0,0,0|0,1,1]=4 93 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [1,1,0,0,0,0|1,0,1]=4 94 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [1,1,0,0,0,0|2,0,0]=4 95 B7R1.4 CC1=C(Cl)SC=C1 CS-W013401 [1,1,0,0,0,0|1,1,0]=4 96 B7R1.4 O=C1CCC=C1O CS-W019237 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.1 C=CC1=CC=C(Br)C=C1 CS-W009005 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.1 CC1=CC=C(C=O)C=N1 CS-D0589 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.1 CC1=NC=C(C=O)C=N1 CS-D1652 [0,1,0,0,0,1|2,0,0]=4 101 B9R1.1 O=CC1=CC=C(Br)N=C1 CS-D0958 [0,1,0,0,0,1|1,0,0]=3 102 B9R1.1 O=CC1=CC=C(F)C=C1 CS-W008729 [0,1,0,0,0,1|1,0,0]=3 103 B9R1.1 O=CC1=CN=C(F)C=C1 CS-W004680 [0,1,0,0,0,1|1,0,0]=3 104 B9R1.1 O=CC1=CNC(=O)C=C1 CS-W019709 [0,1,0,0,0,1|1,0,0]=3 105 B9R1.1 O=CC1=CNC(=O)N=C1 CS-0101862 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.1 O=CC1=NC=C(O)C=C1 CS-W005647 [0,1,0,0,0,1|1,0,0]=3 107 B9R1.2 CC1=CC=CC(C=O)=C1 CS-0007820 [0,1,0,0,0,1|1,0,0]=3 108 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [0,1,0,0,0,1|1,0,0]=3 109 B9R1.2 O=CC1=CC(Br)=NC=C1 CS-W007762 [0,1,0,0,0,1|1,0,0]=3 110 B9R1.2 O=CC1=CC(I)=CC=C1 CS-W007699 [0,1,0,0,0,1|1,0,0]=3 111 B9R1.2 O=CC1=CC=CC(Br)=C1 CS-W009197 [0,1,0,0,0,1|1,0,0]=3 112 B9R1.2 O=CC1=CN=CC(F)=C1 CS-W018621 [0,1,0,0,0,1|1,0,0]=3 113 B9R1.2 O=CC1=NC(Br)=CC=C1 CS-D0741 [0,1,0,0,0,1|1,0,0]=3 114 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS-W005244 [0,1,0,0,0,1|1,0,0]=3 115 B9R1.2 O=CC1=NC=CC(Br)=C1 CS-W004857 [0,1,0,0,0,1|1,0,0]=3 116 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,1,0,0,0,1|1,0,0]=3 117 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,1,0,0,0,1|1,0,0]=3 118 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [0,1,0,0,0,1|1,0,0]=3 119 B9R1.6 N=C(N)C1=NC=CC=N1 CS-M1221 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.6 N=C(N)C1=NC=CN=C1 CS-0018934 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,1,0,0,0,1|1,0,0]=3 122 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [0,1,0,0,0,1|1,0,0]=3 123 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,1,0,0,0,1|1,0,0]=3 124 B9R1.15 C=CC1=CC=CC=C1N CS-W006235 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.15 CC1=CC=CC=C1C=O CS-W008902 [0,1,0,0,0,1|1,0,0]=3 126 B9R1.15 N=C1C=CNC=C1C=O CS-W008204 [0,1,0,0,0,1|1,0,0]=3 127 B9R1.15 O=CC1=C(O)C=CN=C1 CS-0047693 [0,1,0,0,0,1|1,0,0]=3 128 B9R1.15 O=CC1=CC=CC=C1Br CS-D1759 [0,1,0,0,0,1|1,0,0]=3 129 B9R1.15 O=CC1=CC=CC=C1I CS-W007846 [0,1,0,0,0,1|1,0,0]=3 130 B9R1.15 O=CC1=CC=NC=C1Br CS-W007984 [0,1,0,0,0,1|1,0,0]=3 131 B9R1.22 CC1=CC(C)=C(C=O)N1 CS-W007816 [0,2,0,0,0,0|1,0,0]=3 132 B9R1.22 NC1=NC(Cl)=C(C=O)S1 CS-W021559 [0,2,0,0,0,0|1,1,0]=4 133 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [0,2,0,0,0,0|0,1,0]=3 134 B9R1.35 CC(=O)C1=CSC(N)=N1 CS-0031411 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [0,2,0,0,0,0|0,1,0]=3 138 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [0,2,0,0,0,0|1,1,0]=4 139 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [0,2,0,0,0,0|0,1,0]=3 141 B9R1.35 NC(=O)C1=CSC(Br)=N1 CS-0054970 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [0,2,0,0,0,0|0,1,0]=3 143 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [0,2,0,0,0,0|0,0,0]=2 144 B9R1.35 O=C(O)C1=CN=C(Br)S1 CS-D0331 [0,2,0,0,0,0|1,1,0]=4 145 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CS-B1388 [0,2,0,0,0,0|1,1,0]=4 146 B9R1.35 O=C(O)C1=COC(Cl)=N1 CS-W021675 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.35 O=C(O)C1=CSC(Br)=C1 CS-D0428 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.35 O=C(O)C1=NC(Br)=CS1 CS-W006047 [0,2,0,0,0,0|1,1,0]=4 149 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [0,2,0,0,0,0|1,0,0]=3 150 B9R1.11 COC(=O)C1=CN=CS1 CS-M1604 [0,2,0,0,0,0|1,1,0]=4 151 B9R1.11 COC(=O)C1=CNC=C1 CS-W008624 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.11 COC(=O)C1=NC=CN1 CS-W005714 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.11 O=C(CBr)C1=NC=CS1 CS-D0891 [0,2,0,0,0,0|1,1,0]=4 154 B9R1.19 CS(=O)(=O)C1=CC=CS1 CS-0053912 [0,2,0,0,0,0|1,1,0]=4 155 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 CS-W017078 [0,2,0,0,0,0|1,1,0]=4 156 B9R1.41 CC1=C(C(=O)O)C=CO1 CS-0095991 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.41 CC1=C(C(=O)O)NC=C1 CS-0036145 [0,2,0,0,0,0|1,0,0]=3 159 B9R1.41 CC1=C(C(=O)O)OC=C1 CS-0059276 [0,2,0,0,0,0|0,0,0]=2 160 B9R1.41 CC1=C(C(=O)O)OC=N1 CS-W008834 [0,2,0,0,0,0|1,0,0]=3 161 B9R1.41 CN1C=CN=C1C(=O)O CS-W004706 [0,2,0,0,0,0|2,0,0]=4 162 B9R1.41 NC(=O)C1=C(N)NC=N1 CS-M3470 [0,2,0,0,0,0|2,0,0]=4 163 B9R1.41 NC(=O)C1=CSC=C1Br CS-0086828 [0,2,0,0,0,0|2,0,0]=4 164 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS-W005652 [0,2,0,0,0,0|2,0,0]=4 165 B9R1.13 CC(=O)NC1=NC=CS1 CS-0095600 [0,2,0,0,0,0|1,1,0]=4 166 B9R1.14 CCN1C=CN=C1C=O CS-W005603 [0,2,0,0,0,0|2,0,0]=4 167 B7R1.3 BrC1=CC=CN=C1 CS-0008362 [0,0,1,1,0,0|2,0,0]=4 168 B7R1.3 ClC1=CN=CC=C1 CS-W011253 [0,0,1,1,0,0|2,0,0]=4 169 B7R1.3 FC1=CN=CC=C1 CS-W011338 [0,0,1,1,0,0|2,0,0]=4 170 B7R1.3 IC1=CC=CC=C1 CS-W008603 [0,0,1,1,0,0|2,0,0]=4 171 B7R1.3 NC1=CC=CC=C1 CS-W018553 [0,0,1,1,0,0|2,0,0]=4 172 B7R1.3 OC1=CC=CC=N1 CS-0032800 [0,0,1,1,0,0|2,0,0]=4 173 B7R1.3 OC1=CC=NC=C1 CS-W007690 [0,0,1,1,0,0|2,0,0]=4 174 B7R1.3 OC1=CC=NN=C1 CS-W008723 [0,0,1,1,0,0|2,0,0]=4 175 B7R1.3 [O-]C1=CC=CC=C1 CS-0048749 [0,0,1,1,0,0|1,0,1]=4