0 B7R1.1 CCC1=CSC=N1 7H70-1-2D [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 CCC1=NN=CO1 4H56-1-03D [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 ClCC1=NC=CS1 7H70-5-0G [0,0,0,0,0,0|2,1,0]=3 3 B7R1.1 NCC1=CNC=N1 3H30-1-JQ [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 NCC1=CNN=N1 3H32-1-BR [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 NCC1=NC=CO1 4H30-5-54 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 NCC1=NNC=N1 3H30-1-JP [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 OCC1=NC=CN1 4H01-1-0W [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 CC1=CNN=N1 3H32-1-W2 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 ClC1=CC=CO1 2H10-5-0M [1,0,0,0,0,0|1,0,0]=2 10 B6R1.2 ClC1=NSC=C1 7H70-5-2G [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 FC1=NNC=C1 3H31-3-61 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 IC1=NC=CO1 4H56-H-42 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.1 CC1=CC=C(C=O)N1 4H15-1-7U [0,1,0,0,0,0|1,0,2]=4 14 B8R1.1 CC1=CNC(C=O)=C1 4H15-1-4K [0,1,0,0,0,0|1,0,2]=4 15 B8R1.1 CC1=NC=C(CO)O1 4H01-1-5U [0,1,0,0,0,0|1,0,0]=2 16 B8R1.1 CC1=NNC(CCl)=C1 3H31-5-1Y [0,1,0,0,0,0|3,0,0]=4 17 B8R1.1 CCN1C=C(Cl)C=N1 3H32-5-UH [0,1,0,0,0,0|3,0,0]=4 18 B8R1.1 CCN1C=CC(Br)=N1 3H32-9-8A [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 ClCC1=CC=C(Cl)S1 5H66-5-12 [0,1,0,0,0,0|1,1,0]=3 20 B8R1.1 N#CC1=CC=C(Br)O1 4H37-9-09 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.1 N#CC1=CC=C(O)S1 8H37-1-0A [0,1,0,0,0,0|1,1,1]=4 22 B8R1.1 NCC1=CC(Cl)=CS1 7H66-5-78 [0,1,0,0,0,0|1,1,0]=3 23 B8R1.1 NCC1=CC=C(Br)O1 4H56-9-8P [0,1,0,0,0,0|1,0,0]=2 24 B8R1.1 NCC1=NC=C(Br)S1 7H70-D-0A [0,1,0,0,0,0|2,1,0]=4 25 B8R1.1 O=CC1=CC(I)=CS1 6H15-H-00 [0,1,0,0,0,0|0,1,2]=4 26 B8R1.1 O=CC1=CC(O)=CS1 6H15-1-0J [0,1,0,0,0,0|0,1,2]=4 27 B8R1.1 O=CC1=CC=C(O)S1 6H15-1-0H [0,1,0,0,0,0|0,1,2]=4 28 B8R1.7 CC(C)N1C=CC=N1 3H32-1-CY [0,1,0,0,0,0|3,0,0]=4 29 B8R1.7 CC(N)C1=CC=CO1 4H56-1-1T [0,1,0,0,0,0|1,0,0]=2 30 B8R1.7 CC(N)C1=CN=CO1 4H30-1-39 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.7 CC(N)C1=COC=C1 4H30-1-CY [0,1,0,0,0,0|3,0,0]=4 32 B8R1.7 FC(F)C1=CN=CO1 4H56-3-F8 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.7 FC(F)C1=CN=CS1 7H70-3-27 [0,1,0,0,0,0|2,1,0]=4 34 B8R1.7 FC(F)C1=COC=N1 4H56-3-F7 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.7 FC(F)C1=NC=CS1 7H70-3-19 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.7 NC(=O)C1=CC=NO1 4H48-1-H4 [0,1,0,0,0,0|1,0,2]=4 37 B8R1.8 BrCCN1C=CC=N1 3H32-9-CK [0,1,0,0,0,0|3,0,0]=4 38 B8R1.8 NCCC1=CC=CS1 7H30-5-0B [0,1,0,0,0,0|1,1,0]=3 39 B8R1.8 NCCC1=CN=CN1 3H30-5-1X [0,1,0,0,0,0|3,0,0]=4 40 B8R1.8 NCCC1=NNC=C1 3H30-5-6U [0,1,0,0,0,0|3,0,0]=4 41 B8R1.11 BrCC1=CSC=C1Br 5H66-9-Y1 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.11 CC1=C(C=O)NC=C1 4H15-1-BV [0,1,0,0,0,0|1,0,2]=4 43 B8R1.11 CCN1N=CC=C1Cl 3H32-5-TN [0,1,0,0,0,0|3,0,0]=4 44 B8R1.11 O=CC1=C(Br)C=CS1 6H15-9-X4 [0,1,0,0,0,0|0,1,2]=4 45 B6R0.1 C=CC[C@@H](N)CO 4356-5-R0 [0,0,1,0,0,0|1,0,2]=4 46 B6R0.1 C=CC[C@H](N)CO 4356-5-S0 [0,0,1,0,0,0|1,0,2]=4 47 B6R0.6 C\C=C\C=C\CO 2301-1-X0 [0,0,1,0,0,0|1,0,0]=2 48 B8R1.2 C#CC1=CC=CN=N1 3H32-1-CP [0,0,0,0,0,1|2,0,1]=4 49 B8R1.2 CNC1=CC=NC=N1 3H32-1-LX [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 ClCC1=CC=CN=N1 3H32-5-D3 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.2 FCC1=CC=NC=C1 3H32-3-AM [0,0,0,0,0,1|2,0,0]=3 52 B8R1.2 ICC1=CC=CN=C1 3H32-H-90 [0,0,0,0,0,1|2,0,0]=3 53 B8R1.2 NCC1=CC=CN=N1 3H30-1-U2 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.2 NCC1=CC=NC=N1 3H30-5-45 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.2 NCC1=CC=NN=C1 3H32-5-C3 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.2 NOC1=CC=CC=C1 4647-5-0G [0,0,0,0,0,1|3,0,0]=4 57 B8R1.2 SCC1=CC=CN=C1 7H61-1-08 [0,0,0,0,0,1|1,1,0]=3 58 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [1,0,1,0,0,0|1,0,1]=4 59 B5R0.2 CCO\C=C/Br 2307-9-01 [1,0,1,0,0,0|1,0,1]=4 60 B5R0.3 C=CC(C)ON 4347-5-31 [1,0,1,0,0,0|1,0,1]=4 61 B7R1.2 BrC1=CC=C(I)S1 5H66-S-00 [1,1,0,0,0,0|1,1,0]=4 62 B7R1.2 CC1=CN=C(I)N1 3H32-H-18 [1,1,0,0,0,0|2,0,0]=4 63 B7R1.2 CC1=NSC(I)=C1 7H70-H-01 [1,1,0,0,0,0|2,0,0]=4 64 B7R1.2 NC1=CSC(Cl)=C1 7H66-5-73 [1,1,0,0,0,0|1,1,0]=4 65 B7R1.2 OC1=NSC(Cl)=C1 8H70-5-0C [1,1,0,0,0,0|2,0,0]=4 66 B7R1.4 CC1=C(Br)C=NO1 4H44-9-01 [1,1,0,0,0,0|1,0,0]=3 67 B7R1.4 CC1=C(O)C=CS1 6H61-1-03 [1,1,0,0,0,0|0,1,0]=3 68 B7R1.4 CC1=CSC=C1O 6H01-1-0M [1,1,0,0,0,0|2,0,0]=4 69 B7R1.4 CN1C=CC=C1Cl 3H32-5-UX [1,1,0,0,0,0|2,0,0]=4 70 B9R1.1 CC1=CC=C(CCl)N=C1 3H32-5-CY [0,1,0,0,0,1|2,0,0]=4 71 B9R1.1 CC1=CC=C(CN)N=N1 3H30-5-3Z [0,1,0,0,0,1|2,0,0]=4 72 B9R1.1 CCC1=CC=C(Br)N=C1 3H32-9-5W [0,1,0,0,0,1|2,0,0]=4 73 B9R1.1 CCC1=NNC(=O)C=C1 4H48-1-08A [0,1,0,0,0,1|2,0,0]=4 74 B9R1.1 FC1=CC=C(CBr)N=C1 3H32-B-2G [0,1,0,0,0,1|2,0,0]=4 75 B9R1.1 NC1=NC=C(CO)C=N1 4H58-1-620 [0,1,0,0,0,1|2,0,0]=4 76 B9R1.1 NCC1=CC=C(F)C=N1 3H30-7-71 [0,1,0,0,0,1|2,0,0]=4 77 B9R1.1 NCC1=CC=C(N)C=N1 3H30-1-JC [0,1,0,0,0,1|2,0,0]=4 78 B9R1.1 NCC1=CC=C(N)N=C1 3H30-1-Y2 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.1 NCC1=NC=C(F)C=N1 3H30-3-97 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.1 NCC1=NC=C(F)C=N1 3H30-7-33 [0,1,0,0,0,1|2,0,0]=4 81 B9R1.1 OCC1=CC=C(Cl)N=N1 4H01-5-0V [0,1,0,0,0,1|1,0,0]=3 82 B9R1.1 OCC1=NC=C(F)C=N1 4H56-3-7Z [0,1,0,0,0,1|1,0,0]=3 83 B9R1.2 CC1=CN=CC(CN)=C1 3H30-1-9X [0,1,0,0,0,1|2,0,0]=4 84 B9R1.2 CC1=CN=NC(CN)=C1 3H30-5-9A [0,1,0,0,0,1|2,0,0]=4 85 B9R1.2 ClCC1=CC=CC(Cl)=N1 3H32-5-JS [0,1,0,0,0,1|2,0,0]=4 86 B9R1.2 FC1=CN=CC(CBr)=C1 3H32-B-75 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.2 NC1=CC(CO)=NC=N1 4H30-5-59 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.2 NCC1=CC(N)=NC=N1 3H30-5-4D [0,1,0,0,0,1|2,0,0]=4 89 B9R1.2 NCC1=CC=CC(Br)=N1 3H30-D-21 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.2 NCC1=CC=CC(N)=N1 3H30-1-JL [0,1,0,0,0,1|2,0,0]=4 91 B9R1.2 NCC1=CC=NC(N)=C1 3H30-5-6M [0,1,0,0,0,1|2,0,0]=4 92 B9R1.2 NCC1=NC=CC(F)=N1 3H30-3-0J [0,1,0,0,0,1|2,0,0]=4 93 B9R1.2 OCC1=CC(Cl)=NC=N1 4H56-5-0X [0,1,0,0,0,1|1,0,0]=3 94 B9R1.2 OCC1=CC=CC(S)=C1 6661-1-00 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.2 OCC1=CN=CC(O)=C1 4H56-1-0LK [0,1,0,0,0,1|1,0,0]=3 96 B9R1.8 N#CCC1=CC=CN=N1 3H37-1-0D [0,1,0,0,0,1|2,0,0]=4 97 B9R1.8 NNCC1=CN=CC=N1 3H39-1-34 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [0,1,0,0,0,1|1,0,0]=3 99 B9R1.15 CC1=CC=NC=C1CO 4H01-1-AZ [0,1,0,0,0,1|1,0,0]=3 100 B9R1.15 CC1=CC=NN=C1CN 3H30-5-8Z [0,1,0,0,0,1|2,0,0]=4 101 B9R1.15 CC1=NC=CC=C1CCl 3H32-5-E3 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.15 CC1=NC=CC=C1CN 3H30-1-JR [0,1,0,0,0,1|2,0,0]=4 103 B9R1.15 NC1=NC=CN=C1CO 4H56-1-456 [0,1,0,0,0,1|1,0,0]=3 104 B9R1.15 NCC1=CC=NC=C1Br 3H30-9-1R [0,1,0,0,0,1|2,0,0]=4 105 B9R1.15 NCC1=CC=NC=C1Cl 3H30-5-6S [0,1,0,0,0,1|2,0,0]=4 106 B9R1.15 NCC1=NC=CC=C1N 3H30-1-JJ [0,1,0,0,0,1|2,0,0]=4 107 B9R1.7 CCCC1=CC=C(Br)S1 5H66-9-26 [0,2,0,0,0,0|1,1,0]=4 108 B9R1.7 COCC1=CC(N)=NN1 4H56-1-802 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.21 O=CC1=CC=C(CCl)O1 2H15-5-08 [0,2,0,0,0,0|1,0,0]=3 110 B9R1.22 CC1=CC(C)=C(CN)N1 3H30-1-JM [0,2,0,0,0,0|2,0,0]=4 111 B9R1.35 CC(=O)C1=CC=C(Br)O1 2H17-9-30 [0,2,0,0,0,0|0,0,2]=4 112 B9R1.35 CC1=CSC(C(F)F)=C1 5H66-3-06 [0,2,0,0,0,0|1,1,0]=4 113 B9R1.35 FC(F)C1=CC(I)=CN1 3H31-K-06 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.35 FC(F)C1=CC=C(Cl)S1 5H66-7-00 [0,2,0,0,0,0|1,1,0]=4 115 B9R1.35 FC(F)C1=CC=C(I)S1 5H66-K-02 [0,2,0,0,0,0|1,1,0]=4 116 B9R1.35 O=C(O)C1=CC(I)=CN1 4H21-H-0D [0,2,0,0,0,0|1,0,1]=4 117 B9R1.11 NCC(O)C1=CC=CO1 4H30-1-T0 [0,2,0,0,0,0|0,0,0]=2 118 B9R1.41 CC(O)C1=C(Br)C=CO1 2H02-9-00 [0,2,0,0,0,0|0,0,0]=2 119 B9R1.41 CC1=C(C(F)F)SC=C1 5H66-3-05 [0,2,0,0,0,0|1,1,0]=4 120 B9R1.41 O=C(O)C1=C(Br)C=CO1 2H21-9-0K [0,2,0,0,0,0|0,0,1]=3 121 B9R1.12 O=CSCC1=CC=CO1 6H66-1-1D [0,2,0,0,0,0|0,0,1]=3 122 B9R1.27 CN1N=CC(Br)=C1CO 4H01-9-0Y [0,2,0,0,0,0|2,0,0]=4