0 B8R1.8 CCCC1=NC=CN1 AC-8724 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCN1C=NC=N1 AC-14376 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.8 CCNC1=CC=CS1 AC-2681 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 CCSC1=NN=NN1 AC-8306 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CC=CS1 AC-2658 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 ClCCC1=NN=NN1 AC-8307 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 ClCCN1C=NC=N1 AC-5235 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.8 N#CCC1=CC=CN1 AC-29867 [0,0,0,0,0,0|1,0,2]=3 8 B8R1.8 N#CCC1=CC=CS1 AC-2494 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.8 N#CCC1=CNC=N1 AC-17802 [0,0,0,0,0,0|0,0,4]=4 10 B8R1.8 N#CCC1=CSC=C1 AC-18966 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 NCCC1=CC=CS1 AC-6275 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCC1=CNC=N1 AC-13185 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.8 NCCC1=CNC=N1 AC-24100 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.8 NCCC1=CNC=N1 AC-7507 [0,0,0,0,0,0|0,0,2]=2 15 B8R1.8 NCCN1C=CN=C1 AC-20616 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 OCCC1=CC=CS1 AC-6274 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 OCCC1=CNN=C1 AC-23295 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 OCCN1C=CN=C1 AC-7528 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 OCCN1C=NC=N1 AC-11838 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.8 OCCN1C=NN=C1 AC-11837 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 BrCC1=CSC=C1 AC-28055 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 BrCC1=NC=CN1 AC-25722 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 CCC1=CC=CS1 AC-16553 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 CCC1=CNC=C1 AC-13937 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.1 CCC1=CSC=C1 AC-4944 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 CCC1=NC=CN1 AC-8726 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 CCN1C=CN=C1 AC-7525 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 CCN1C=NC=N1 AC-14375 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.1 COC1=CC=CS1 AC-4909 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 COC1=CSC=C1 AC-4908 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 CSC1=NN=NN1 AC-8305 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 ClCC1=CNC=N1 AC-27295 [1,0,0,0,0,0|1,0,2]=4 33 B7R1.1 ClCC1=CSC=N1 AC-37186 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 ClCC1=NN=NN1 AC-250 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 NCC1=CC=CS1 AC-15711 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 NCC1=CC=NO1 AC-25324 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 NCC1=NC=CS1 AC-7310 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 NCC1=NC=NN1 AC-13685 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.1 NCC1=NNC=C1 AC-6390 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 NCC1=NNN=N1 AC-29602 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 O=CC1=CC=CN1 AC-4316 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.1 O=CC1=CN=CS1 AC-7648 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 OCC1=CN=CS1 AC-7854 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 OCC1=CNC=N1 AC-23132 [1,0,0,0,0,0|1,0,2]=4 45 B7R1.1 OCC1=CNC=N1 AC-2889 [1,0,0,0,0,0|1,0,2]=4 46 B7R1.1 OCC1=CNN=C1 AC-31827 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 OCC1=CSC=C1 AC-4927 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 OCC1=CSC=N1 AC-7853 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 OCC1=NC=CN1 AC-17832 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 [Na]SC1=CN=NN1 AC-1898 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.7 NCCC1=CC(Br)=CS1 AC-29907 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.7 NCCC1=CC=C(Br)S1 AC-29942 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.11 NNC(=O)C1=CC=CN1 AC-23238 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.12 C=NCCC1=CC=CS1 AC-8967 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.12 CCCCC1=CSC=C1 AC-4930 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.12 CCCCC1=NC=CN1 AC-8720 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.12 NCCCN1C=CN=C1 AC-16731 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.12 OCCCC1=CNC=N1 AC-25678 [0,1,0,0,0,0|1,0,2]=4 59 B9R1.33 C(=O)CC1=C(C)N=CS1 AC-13448 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.33 CC1=C(CCCl)SC=N1 AC-33175 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.33 CC1=C(CCO)SC=N1 AC-7852 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.33 CC1=NC=CN1CCO AC-11865 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.33 OCCN1NNN=C1S AC-8308 [0,1,0,0,0,0|3,0,0]=4 64 B9R2.2 C1=CN(C2CC2)C=N1 AC-31150 [0,0,0,1,0,0|3,0,0]=4 65 B9R2.2 C1=NC(C2CC2)=CS1 AC-30445 [0,0,0,1,0,0|2,0,1]=4 66 B9R2.3 C1CN2N=NN=C2N1 AC-20969 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.8 BrCCC1=NC=CC=C1 AC-20552 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.8 BrCCC1=NC=CC=C1 AC-34188 [0,0,0,0,0,1|2,0,1]=4 69 B9R1.8 CCCC1=CC=NC=C1 AC-18478 [0,0,0,0,0,1|2,0,0]=3 70 B9R1.8 CCOC1=NC=CN=C1 AC-16589 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.8 CNCC1=CC=CN=C1 AC-2640 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.8 ClCCC1=NC=CC=C1 AC-20553 [0,0,0,0,0,1|2,0,1]=4 73 B9R1.8 N#CCC1=CC=CN=C1 AC-24997 [0,0,0,0,0,1|1,0,2]=4 74 B9R1.8 NCCC1=CC=CC=N1 AC-15573 [0,0,0,0,0,1|1,0,1]=3 75 B9R1.8 NCCC1=CC=CN=C1 AC-6717 [0,0,0,0,0,1|1,0,0]=2 76 B9R1.8 NNCC1=CC=CC=C1 AC-1819 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.8 OCCC1=CC=CC=C1 AC-18484 [0,0,0,0,0,1|3,0,0]=4 78 B9R1.8 OCCC1=CN=CN=C1 AC-27275 [0,0,0,0,0,1|1,0,1]=3 79 B9R1.8 OCCC1=NC=CC=C1 AC-4672 [0,0,0,0,0,1|2,0,1]=4 80 B6R1.2 BrC1=CN=CS1 AC-23144 [2,0,0,0,0,0|2,0,0]=4 81 B6R1.2 CC1=CC=CS1 AC-16543 [2,0,0,0,0,0|2,0,0]=4 82 B6R1.2 CC1=CNC=N1 AC-4534 [2,0,0,0,0,0|0,0,2]=4 83 B6R1.2 CC1=CNN=C1 AC-4833 [2,0,0,0,0,0|2,0,0]=4 84 B6R1.2 CN1C=NC=N1 AC-628 [2,0,0,0,0,0|1,0,1]=4 85 B6R1.2 NC1=CN=CS1 AC-7671 [2,0,0,0,0,0|1,0,0]=3 86 B6R1.2 NC1=CN=NS1 AC-1848 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 NC1=CSC=C1 AC-1686 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 NC1=CSC=N1 AC-28824 [2,0,0,0,0,0|1,0,1]=4 89 B6R1.2 NC1=NC=CN1 AC-051 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 NC1=NC=CN1 AC-864 [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 NC1=NC=NS1 AC-25690 [2,0,0,0,0,0|1,0,1]=4 92 B6R1.2 NC1=NN=CS1 AC-25689 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.1 CCC1=CN=C(N)S1 AC-33835 [1,1,0,0,0,0|1,0,0]=3 94 B8R1.1 CCC1=CNC(C)=N1 AC-6186 [1,1,0,0,0,0|0,0,2]=4 95 B8R1.1 CCC1=NC(C)=CN1 AC-11832 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.1 CN1C=C(CN)C=N1 AC-6394 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.1 ClCC1=CN=C(Cl)S1 AC-1163 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.1 NC1=NC=C(CO)S1 AC-8535 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.1 NCC1=CC(O)=NO1 AC-35275 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.7 CC(C)C1=NC=CN1 AC-8721 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.7 CC(C)N1C=CN=C1 AC-4502 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.11 CC1=C(C=O)NC=N1 AC-33913 [1,1,0,0,0,0|1,0,1]=4 103 B8R1.11 CC1=C(CO)NC=N1 AC-7530 [1,1,0,0,0,0|1,0,0]=3 104 B8R1.11 CCC1=CNN=C1N AC-045 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.11 CN1C=NC=C1C=O AC-24712 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.11 CN1C=NC=C1CN AC-7137 [1,1,0,0,0,0|0,0,0]=2 107 B8R1.11 CN1N=CN=C1CN AC-13686 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.11 N#CC1=C(N)N=CN1 AC-28874 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.1 NCCC1=CC=C(Br)C=C1 AC-185 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.1 NCCC1=CC=C(Cl)C=C1 AC-13735 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.1 NCCC1=CC=C(Cl)C=C1 AC-27039 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.1 NCCC1=CC=C(N)C=C1 AC-6719 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.1 NCCC1=CC=C(O)C=C1 AC-16250 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.4 NC1=NC=CC=C1CCO AC-28212 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.4 NCCC1=CC=CC=C1Cl AC-6667 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.4 NCCC1=CC=CC=C1N AC-6721 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.10 CC1=CC=CC(CCN)=N1 AC-14298 [0,1,0,0,0,1|1,0,1]=4 118 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC-6666 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.10 NCCC1=CC=CC(Br)=C1 AC-6691 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.10 NCCC1=CC=CC(N)=C1 AC-6720 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.15 NC[C@H](O)C1=CC=CC=C1 AC-9145 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 AC-25516 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.17 CCCCC1=CC=CN=C1 AC-7560 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.17 CCNCC1=CC=CN=C1 AC-7360 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.17 CCNCC1=CC=NC=C1 AC-23897 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.17 CNCCC1=CC=CC=C1 AC-2677 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.17 CNCCC1=CC=CC=N1 AC-23916 [0,1,0,0,0,1|1,0,1]=4 128 B10R1.17 NCCNC1=CC=CC=C1 AC-25457 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.17 NCCOC1=CC=CC=C1 AC-15743 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.17 NCCOC1=NC=CC=C1 AC-29360 [0,1,0,0,0,1|1,0,1]=4 131 B10R1.18 CC(C)CC1=NC=CN=C1 AC-16632 [0,1,0,0,0,1|1,0,1]=4 132 B10R1.27 N[C@H](CO)CC1=CNC=N1 AC-16617 [0,2,0,0,0,0|0,0,2]=4 133 B8R1.2 NCC1=CC=CN=C1 AC-3071 [0,0,1,1,0,0|1,0,1]=4 134 B8R1.2 NCC1=CC=NC=C1 AC-27372 [0,0,1,1,0,0|1,0,1]=4 135 B8R1.5 NC1=CC=CN=C1N AC-3570 [0,0,1,1,0,0|0,0,2]=4 136 B10R2.7 C1=CC=C2NCCC2=C1 AC-531 [0,0,0,1,0,1|2,0,0]=4 137 B10R2.7 C1=CN=C2CCCC2=C1 AC-2007 [0,0,0,1,0,1|2,0,0]=4 138 B10R2.7 C1=CN=C2NCCC2=C1 AC-7240 [0,0,0,1,0,1|1,0,0]=3 139 B10R2.2 NC1=NC2=C(CCC2)S1 AC-20465 [0,1,0,1,0,0|2,0,0]=4 140 B10R2.2 SC1CN2C=NC=[N+]2C1 AC-2026 [0,1,0,1,0,0|2,0,0]=4