0 B9R1.33 CC1=C(CCN)SC=C1 7H66-1-94 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.33 CC1=C(CCN)SC=N1 7H30-1-0U [0,0,0,0,0,0|1,0,0]=1 2 B9R1.33 CC1=C(\C=N\O)SC=C1 8H47-1-13 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.33 CC1=CC=NN1CCCl 3H32-5-VP [0,0,0,0,0,0|4,0,0]=4 4 B9R1.33 CC1=NC=CN1CCN 3H30-5-8V [0,0,0,0,0,0|3,0,0]=3 5 B9R1.33 CCOC1=C(C)N=CO1 4H07-1-3B [0,0,0,0,0,0|2,1,0]=3 6 B9R1.33 CN1C=CC=C1CCN 3H30-1-UV [0,0,0,0,0,0|4,0,0]=4 7 B9R1.33 CNCC1=C(C)C=CO1 4H31-1-13 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.33 CNCC1=C(C)C=CS1 7H33-5-05 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.33 CNCC1=C(C)OC=C1 4H31-1-Y0 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.33 NC1=CC=NN1CCO 4H56-1-361 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.33 OCCN1N=NN=C1S 8H61-1-13 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CCCC1=CC=CO1 2H10-1-14 [1,0,0,0,0,0|2,1,0]=4 13 B8R1.8 CCCC1=NC=CS1 7H70-1-27 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 CCCN1C=CN=C1 3H32-1-GL [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 CCNC1=NN=CS1 7H31-1-07 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 CNCC1=CC=CS1 7H31-1-0F [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 CNCC1=CN=CO1 4H31-1-62 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.8 ClCCC1=CN=CN1 3H31-5-05 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.8 N#CCC1=CN=CO1 4H37-1-0M [1,0,0,0,0,0|1,1,1]=4 20 B8R1.8 NCCC1=CC=CO1 4H30-1-9R [1,0,0,0,0,0|2,1,0]=4 21 B8R1.8 NCCC1=CSC=C1 7H66-1-68 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 NCCN1C=CN=C1 3H30-5-V4 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 NCCN1C=NC=N1 3H30-1-Q1 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 OCCC1=NC=CN1 4H56-1-0AU [1,0,0,0,0,0|3,0,0]=4 25 B8R1.11 C=CC1=C(C)N=CS1 7H70-1-6C [1,0,0,0,0,0|0,0,2]=3 26 B8R1.11 CC1=C(C#N)OC=N1 4H37-1-4P [1,0,0,0,0,0|1,1,1]=4 27 B8R1.11 CC1=C(C#N)SC=C1 7H37-1-N7 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.11 CC1=C(C=O)SC=N1 8H15-1-11 [1,0,0,0,0,0|0,0,2]=3 29 B8R1.11 CC1=C(C=O)SN=N1 8H15-1-32 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.11 CC1=C(CCl)SN=N1 7H70-5-1N [1,0,0,0,0,0|2,0,0]=3 31 B8R1.11 CC1=C(CN)OC=C1 4H30-1-X2 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.11 CC1=C(CN)SC=C1 7H30-1-X2 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.11 CC1=C(CN)SC=N1 7H70-1-3B [1,0,0,0,0,0|1,0,0]=2 34 B8R1.11 CC1=C(CO)N=CN1 4H01-1-5D [1,0,0,0,0,0|1,0,1]=3 35 B8R1.11 CC1=C(CO)OC=C1 2H01-1-12 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.11 CC1=C(CO)OC=N1 4H56-1-0DS [1,0,0,0,0,0|0,1,0]=2 37 B8R1.11 CC1=C(CO)SC=N1 8H01-1-0R [1,0,0,0,0,0|0,0,0]=1 38 B8R1.11 CC1=C(CO)SN=N1 8H70-1-09 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.11 CC1=NON=C1CN 4H30-1-CW [1,0,0,0,0,0|3,0,0]=4 40 B8R1.11 CCC1=CNN=C1N 3H30-1-9U [1,0,0,0,0,0|3,0,0]=4 41 B8R1.11 CCC1=NNC=C1C 3H33-5-0V [1,0,0,0,0,0|3,0,0]=4 42 B8R1.11 CCN1C=CN=C1C 3H32-1-PS [1,0,0,0,0,0|2,0,0]=3 43 B8R1.11 CCN1C=CN=C1Cl 3H32-5-UY [1,0,0,0,0,0|3,0,0]=4 44 B8R1.11 CN1N=CC=C1CN 3H30-1-J5 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.11 COC1=C(N)C=CS1 8H66-1-6Q [1,0,0,0,0,0|3,0,0]=4 46 B8R1.11 CSC1=C(C)OC=C1 6H66-1-0Y [1,0,0,0,0,0|3,0,0]=4 47 B8R1.11 NCC1=C(Cl)C=CS1 7H30-5-06 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.11 NCC1=C(Cl)C=CS1 7H30-5-25 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.11 OCC1=C(Br)C=CS1 6H01-9-02 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.11 OCC1=C(Br)N=CS1 8H70-9-0H [1,0,0,0,0,0|1,0,0]=2 51 B8R1.11 OCC1=C(Br)SC=C1 6H01-9-00 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.11 OCC1=C(Cl)C=CS1 6H66-5-09 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.5 CNCC1=C(OC)C=CS1 8H31-1-01 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.5 COC1=C(\C=N\O)SC=C1 8H47-1-0A [0,1,0,0,0,0|2,0,1]=4 55 B10R1.29 CC1=C(CCCN)SC=N1 7H70-1-2G [0,1,0,0,0,0|1,0,0]=2 56 B10R1.29 CC1=NC=CN1CCC#N 3H37-1-M4 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.29 CN1C=CN=C1SCCO 8H66-1-78 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.64 CC1=NC=CN1CC(=O)O 4H21-5-64 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.64 CC1=NON=C1CC(=O)O 4H21-1-MZ [0,1,0,0,0,0|2,0,1]=4 60 B10R1.130 CC1=CC(C)=NN1CCO 4H01-1-8E [0,1,0,0,0,0|3,0,0]=4 61 B10R1.130 O\N=C\C1=C(Cl)N=C(Cl)S1 8H47-5-02 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.149 COC(=O)C1=C(C)N=CS1 8H23-1-0P [0,1,0,0,0,0|2,0,1]=4 63 B10R1.187 CC1=C(CCO)C(=O)NN1 4H39-1-04 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.187 CC1=NNC(C)=C1CCCl 3H32-5-T8 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.187 CC1=NNC(C)=C1CCI 3H32-H-34 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.187 CN1N=CC(Br)=C1CCN 3H30-9-W1 [0,1,0,0,0,0|3,0,0]=4 67 B10R2.7 C1=CC2=C(CCCC2)N1 3H31-1-4W [0,0,0,1,0,0|2,0,1]=4 68 B10R2.7 C1=CC2=C(CCCC2)S1 5H66-1-05 [0,0,0,1,0,0|2,0,0]=3 69 B10R2.7 C1=CN2CCCCC2=N1 3H32-1-7S [0,0,0,1,0,0|3,0,0]=4 70 B10R2.7 C1=CN2CCNCC2=N1 3H32-1-Q3 [0,0,0,1,0,0|3,0,0]=4 71 B10R2.7 C1=CN2CCNCC2=N1 3H32-5-1M [0,0,0,1,0,0|3,0,0]=4 72 B10R2.7 C1=NC2=C(CCCC2)N1 3H32-1-28 [0,0,0,1,0,0|2,0,0]=3 73 B10R2.7 C1=NC2=C(CCNC2)N1 3H31-5-5L [0,0,0,1,0,0|2,0,0]=3 74 B10R2.7 C1=NN2CCNCC2=N1 3H31-1-BE [0,0,0,1,0,0|3,0,0]=4 75 B10R2.7 C1CCC2=C(C1)N=NS2 7H70-1-07 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.4 CC1=CC=CC=C1CCBr 1700-9-0H [0,0,0,0,0,1|3,0,0]=4 77 B10R1.4 CC1=CC=CN=C1CCN 3H30-1-5R [0,0,0,0,0,1|3,0,0]=4 78 B10R1.4 CC1=NC=CN=C1CCO 4H56-1-991 [0,0,0,0,0,1|1,0,0]=2 79 B10R1.4 CCCC1=CN=CN=C1Cl 3H32-5-NY [0,0,0,0,0,1|3,0,0]=4 80 B10R1.4 CCOC1=CC=CN=C1C 4H56-1-601 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.4 CCOC1=NC=CN=C1C 4H56-1-0JD [0,0,0,0,0,1|3,0,0]=4 82 B10R1.4 NC1=CC=CC=C1CCO 4730-1-05 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.4 OCCC1=C(F)C=CC=C1 2701-3-X3 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.4 OCCC1=CC=CC=C1Cl 2601-5-0F [0,0,0,0,0,1|3,0,0]=4 85 B10R1.4 OCCC1=CC=CC=C1O 2604-1-0G [0,0,0,0,0,1|3,0,0]=4 86 B10R1.10 CC1=CC(CCBr)=CC=C1 1700-9-0J [0,0,0,0,0,1|3,0,0]=4 87 B10R1.10 CC1=CC=CC(CCO)=C1 2701-1-0T [0,0,0,0,0,1|2,0,0]=3 88 B10R1.10 CCCC1=CC=NC(Cl)=N1 3H32-5-4W [0,0,0,0,0,1|3,0,0]=4 89 B10R1.10 CCOC1=CC=NC(C)=C1 4H07-1-3Q [0,0,0,0,0,1|3,0,0]=4 90 B10R1.10 NC1=CC(CCO)=CC=C1 4630-1-0L [0,0,0,0,0,1|3,0,0]=4 91 B10R1.10 OCCC1=CC=CC(Br)=N1 4H56-9-8T [0,0,0,0,0,1|3,0,0]=4 92 B10R1.10 OCCC1=CC=CC(Cl)=C1 2601-5-0E [0,0,0,0,0,1|3,0,0]=4 93 B7R1.1 BrCC1=CC=CS1 5H66-9-22 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 BrCC1=CN=CO1 4H56-9-N5 [2,0,0,0,0,0|1,1,0]=4 95 B7R1.1 CCC1=CC=CS1 5H66-1-00 [2,0,0,0,0,0|1,0,0]=3 96 B7R1.1 CCC1=NC=CS1 8H70-1-8U [2,0,0,0,0,0|2,0,0]=4 97 B7R1.1 COC1=CC=CS1 6H07-1-06 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.1 ClCC1=CC=CS1 5H66-5-11 [2,0,0,0,0,0|2,0,0]=4 99 B7R1.1 ClCC1=CC=CS1 5H66-5-11ST [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 N#CC1=CN=CS1 7H37-1-0G [2,0,0,0,0,0|1,0,1]=4 101 B7R1.1 NCC1=CN=CS1 7H30-1-04 [2,0,0,0,0,0|1,0,0]=3 102 B7R1.1 NCC1=CN=CS1 7H30-5-30 [2,0,0,0,0,0|1,0,0]=3 103 B7R1.1 OCC1=CC=NS1 8H01-1-01 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.1 OCC1=CN=CO1 4H01-1-03 [2,0,0,0,0,0|0,1,0]=3 105 B7R1.1 OCC1=CNC=N1 4H56-1-3Q [2,0,0,0,0,0|1,0,1]=4 106 B7R1.1 OCC1=CNN=C1 4H01-1-6J [2,0,0,0,0,0|2,0,0]=4 107 B7R1.1 OCC1=COC=C1 2H01-1-17 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.1 OCC1=CSC=N1 8H01-1-04 [2,0,0,0,0,0|2,0,0]=4 109 B7R1.1 SCC1=CC=CS1 5H66-1-32 [2,0,0,0,0,0|1,1,0]=4 110 B7R1.4 CC1=C(C)NC=N1 3H32-1-24 [2,0,0,0,0,0|1,0,0]=3 111 B7R1.4 CC1=C(C)NC=N1 3H32-5-28 [2,0,0,0,0,0|1,0,0]=3 112 B7R1.4 CC1=C(C)SC=C1 5H66-1-X6 [2,0,0,0,0,0|1,0,0]=3 113 B7R1.4 CC1=C(C)SC=N1 7H70-1-2F [2,0,0,0,0,0|0,0,0]=2 114 B7R1.4 CC1=C(Cl)SN=N1 8H70-5-0Q [2,0,0,0,0,0|2,0,0]=4 115 B7R1.4 CC1=NON=C1O 4H01-1-2P [2,0,0,0,0,0|2,0,0]=4 116 B9R1.7 CC1=CC=C(CCN)S1 7H66-1-93 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.7 CNCC1=CN=C(Cl)S1 7H31-5-04 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.7 N#CCC1=CN=C(Cl)S1 7H70-5-71 [1,1,0,0,0,0|1,0,1]=4 119 B9R1.7 NCCC1=CC(Br)=CS1 7H30-D-03 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.7 OCCC1=CC(Br)=NO1 4H01-1-3B [1,1,0,0,0,0|2,0,0]=4 121 B9R1.11 CCC(N)C1=CC=CS1 7H33-5-08 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.11 OC[C@@H](O)C1=CC=CO1 2H04-1-03 [1,1,0,0,0,0|1,1,0]=4 123 B9R1.12 BrCCCC1=CC=CS1 5H66-9-0K [1,1,0,0,0,0|2,0,0]=4 124 B9R1.12 CCCCC1=CC=CS1 5H66-1-23 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.12 CCNCC1=CC=CS1 7H31-1-0C [1,1,0,0,0,0|2,0,0]=4 126 B9R1.12 OCCCC1=CC=CS1 6H21-1-0E [1,1,0,0,0,0|1,0,0]=3 127 B9R1.12 OCCCC1=CSC=C1 6H01-1-0J [1,1,0,0,0,0|2,0,0]=4 128 B9R1.13 CC(N)CC1=CC=CS1 7H66-1-92 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.13 CC(N)CC1=CC=CS1 7H66-5-92 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.13 CC(O)CC1=CC=CO1 2H02-1-08 [1,1,0,0,0,0|1,1,0]=4 131 B9R1.14 COC1=C(CN)SC=C1 8H56-1-X8 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.14 COC1=C(CO)SC=C1 6H66-1-76 [1,1,0,0,0,0|1,0,0]=3 133 B9R1.22 CC1=NC(C)=C(C=O)S1 8H15-1-23 [1,1,0,0,0,0|0,0,2]=4 134 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 8H01-5-06 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.27 CC1=NOC(C)=C1CO 4H01-1-V3 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.41 CC(=O)C1=C(C)C=CS1 6H17-1-12 [1,1,0,0,0,0|1,0,1]=4 137 B9R1.41 CC1=C(C(=O)O)NC=N1 4H58-1-080 [1,1,0,0,0,0|1,0,1]=4 138 B9R1.41 CC1=C(C(=O)O)OC=N1 4H21-1-9N [1,1,0,0,0,0|0,1,1]=4 139 B9R1.41 CC1=NC=CN1C(C)C 3H32-1-NL [1,1,0,0,0,0|2,0,0]=4 140 B11R1.17 CC1=C(NCCO)C=CC=C1 4756-1-2U [0,1,0,0,0,1|2,0,0]=4 141 B11R1.41 N#CC1=C(CCO)C=CN=C1 4H37-1-0C [0,1,0,0,0,1|1,0,1]=4 142 B11R1.81 OCCC1=CC=C(Cl)N=C1Cl 4H01-5-1E [0,1,0,0,0,1|2,0,0]=4 143 B11R1.86 CC1=NC=CN=C1CC(C)C 3H32-1-JD [0,1,0,0,0,1|2,0,0]=4 144 B11R1.182 CC1=CC=C(C)C(CCO)=C1 2701-1-0Q [0,1,0,0,0,1|2,0,0]=4 145 B11R1.24 CC1=CC=CC(OCCO)=C1 2707-1-1W [0,1,0,0,0,1|2,0,0]=4 146 B11R1.34 CCCC1=NC(C)=NC(Cl)=C1 3H32-5-UA [0,1,0,0,0,1|2,0,0]=4 147 B11R1.189 COC1=CC=CC(CCO)=C1 2707-1-28 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.189 COC1=NC(CCO)=CC=C1 4H07-1-14 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.199 CCOC(=O)C1=C(C)N=CS1 8H23-1-39 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.465 COCCC1=C(C)NN=C1C 4H07-1-49 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.465 COCCC1=C(C)ON=C1C 4H07-1-48 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 8H70-1-2F [0,2,0,0,0,0|0,0,1]=3 153 B11R1.598 CC1=NN(C)C(C)=C1CCO 4H01-1-BF [0,2,0,0,0,0|2,0,0]=4 154 B11R1.225 CCC(=O)C1=C(C)N=C(N)S1 8H70-1-3M [0,2,0,0,0,0|1,0,1]=4 155 B9R1.2 CC1=CC(CO)=CC=N1 4H01-1-X0 [0,0,1,1,0,0|1,0,1]=4 156 B9R2.2 C1=CSC(C2CC2)=C1 5H66-1-0C [1,0,0,1,0,0|2,0,0]=4 157 B9R2.3 C1=NC2=C(CNC2)S1 7H70-5-0F [1,0,0,1,0,0|2,0,0]=4 158 B11R2.20 C1=CN=C2CCCCC2=C1 3H32-1-CR [0,0,0,1,0,1|2,0,0]=4 159 B11R2.20 C1=CN=C2CCCCC2=N1 3H32-1-JK [0,0,0,1,0,1|2,0,0]=4 160 B11R2.20 C1=NC=C2CCCCC2=C1 3H32-1-HT [0,0,0,1,0,1|2,0,0]=4 161 B11R2.20 C1=NC=C2CNCCC2=C1 3H32-5-AA [0,0,0,1,0,1|2,0,0]=4 162 B11R2.20 C1=NC=C2CNCCC2=N1 3H33-5-0E [0,0,0,1,0,1|2,0,0]=4 163 B11R2.20 C1=NC=NC2=C1CCCC2 3H32-1-MM [0,0,0,1,0,1|2,0,0]=4