0 B8R1.8 BrCCN1C=NC=N1 ALBB-018710 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CCCN1C=CN=C1 ALBB-014333 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 CNCC1=CSC=C1 ALBB-015183 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CNCC1=NC=CN1 ALBB-015238 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CNCC1=NC=CS1 ALBB-015075 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 ClCCN1C=CN=C1 ALBB-031897 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [0,0,0,0,0,0|0,1,0]=1 9 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [0,0,0,0,0,0|0,1,0]=1 10 B8R1.8 NCCC1=CNC=N1 ALBB-005968 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCC1=CNC=N1 ALBB-005968 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCC1=CNN=C1 ALBB-011869 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 NCCC1=CNN=C1 ALBB-011869 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 NCCN1C=CC=C1 ALBB-021662 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.8 NCCN1C=CN=C1 ALBB-012920 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 NCCN1C=CN=C1 ALBB-012920 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 OCCC1=CNN=C1 ALBB-003724 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 OCCN1C=CC=N1 ALBB-016308 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 O\N=C\C1=CC=CN1 ALBB-032964 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.8 O\N=C\C1=CC=CS1 ALBB-013614 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.1 CCN1C=CC=N1 ALBB-004429 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 ClCC1=CSC=N1 ALBB-003859 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 ClCC1=CSC=N1 ALBB-003859 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 ClCC1=NNC=C1 ALBB-034100 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,0,0|1,0,0]=2 26 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,0,0|1,0,0]=2 27 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 NCC1=NC=CS1 ALBB-004671 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.1 OCC1=NC=CS1 ALBB-030718 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 OCC1=NNC=C1 ALBB-028472 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.7 CC1=CSC(CCN)=N1 ALBB-031513 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.7 CCCC1=NN=C(Br)S1 ALBB-027347 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.7 CCCC1=NN=C(Cl)S1 ALBB-027344 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.7 CCCC1=NN=C(N)S1 ALBB-009388 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.7 CNCC1=CC=C(C)S1 ALBB-015180 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.11 CCC(=O)C1=CC=CS1 ALBB-002872 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.11 CCC(N)C1=CC=CS1 ALBB-006076 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.11 NNC(=O)C1=CC=CN1 ALBB-032631 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.11 N\C(=N/O)C1=CC=CS1 ALBB-035273 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.12 CCNCC1=CC=CO1 ALBB-004757 [0,1,0,0,0,0|1,1,0]=3 42 B9R1.12 CCNCC1=CC=CO1 ALBB-004757 [0,1,0,0,0,0|1,1,0]=3 43 B9R1.12 ClCCCN1C=CC=N1 ALBB-031901 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.12 N#CCCN1C=CC=N1 ALBB-004615 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.12 OCCCN1C=CC=N1 ALBB-017775 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.13 CC(C)CN1C=CC=N1 ALBB-032864 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,1,0,0,0,0|0,1,0]=2 48 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,1,0,0,0,0|0,1,0]=2 49 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,1,0,0,0,0|0,1,0]=2 50 B9R1.13 NC(=S)CC1=CC=CS1 ALBB-024308 [0,1,0,0,0,0|0,0,1]=2 51 B9R1.33 CCCN1N=CC=C1C ALBB-028889 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.33 CN1C=NN=C1CCN ALBB-003931 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.33 CNCC1=CC=CN1C ALBB-015094 [0,1,0,0,0,0|3,0,0]=4 54 B9R2.3 C1=CN2CCC[N+]2=C1 ALBB-018189 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 N#CCC1=CC=CN=C1 ALBB-009272 [0,0,0,0,0,1|1,0,2]=4 59 B9R1.8 N#CCC1=NC=CC=C1 ALBB-008917 [0,0,0,0,0,1|1,0,2]=4 60 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [0,0,0,0,0,1|1,0,0]=2 61 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [0,0,0,0,0,1|1,0,0]=2 62 B9R1.8 NCCC1=CC=NC=C1 ALBB-000247 [0,0,0,0,0,1|1,0,0]=2 63 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [0,0,0,0,0,1|1,0,0]=2 64 B9R1.8 NNCC1=CC=CC=C1 ALBB-029808 [0,0,0,0,0,1|2,0,0]=3 65 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.8 OCCC1=NC=CN=C1 ALBB-026379 [0,0,0,0,0,1|2,0,0]=3 67 B6R1.2 CC1=CC=NN1 ALBB-006081 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 CN1C=CC=N1 ALBB-004426 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 NC1=NC=CN1 ALBB-027298 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 NC1=NNC=C1 ALBB-004467 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 NC1=NOC=C1 ALBB-019245 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.1 CC1=CC=C(CN)O1 ALBB-005350 [1,1,0,0,0,0|0,1,0]=3 73 B8R1.1 CC1=CSC(CO)=N1 ALBB-012318 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 CC1=CSC(CO)=N1 ALBB-012318 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.1 CCN1C=C(Br)C=N1 ALBB-004431 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.1 CCN1C=C(I)C=N1 ALBB-013411 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.1 COC1=NC(C)=CS1 ALBB-030276 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.7 CC(C)C1=CC=NN1 ALBB-014835 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.7 CC(N)C1=CC=CO1 ALBB-005423 [1,1,0,0,0,0|0,1,0]=3 83 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [1,1,0,0,0,0|0,0,0]=2 84 B8R1.7 CC(N)C1=CC=CS1 ALBB-000031 [1,1,0,0,0,0|0,0,0]=2 85 B8R1.7 CC(N)C1=CSC=C1 ALBB-021779 [1,1,0,0,0,0|2,0,0]=4 86 B8R1.7 CC(N)C1=NC=CS1 ALBB-015076 [1,1,0,0,0,0|1,0,0]=3 87 B8R1.7 N=C(N)C1=CC=CO1 ALBB-008866 [1,1,0,0,0,0|0,1,1]=4 88 B8R1.7 OB(O)C1=CC=CS1 ALBB-006112 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.11 CC1=C(CN)SC=C1 ALBB-016474 [1,1,0,0,0,0|0,0,0]=2 90 B8R1.11 CCN1N=CC=C1N ALBB-028985 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.4 NNCC1=CC=CC=C1Cl ALBB-016407 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.15 CCC(N)C1=CC=CC=C1 ALBB-001474 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.15 OC(CBr)C1=CC=CC=C1 ALBB-030701 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.17 BrCCOC1=CC=CC=C1 ALBB-031662 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.17 CCCNC1=CC=CC=C1 ALBB-023698 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.17 CNCCC1=CC=NC=C1 ALBB-006043 [0,1,0,0,0,1|1,0,0]=3 99 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [0,1,0,0,0,1|1,0,0]=3 100 B10R1.17 NCCOC1=CC=CC=C1 ALBB-027086 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [0,1,0,0,0,1|1,0,0]=3 102 B10R1.17 NCCSC1=CC=CC=C1 ALBB-005184 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.17 NCCSC1=NC=CC=C1 ALBB-011926 [0,1,0,0,0,1|1,0,0]=3 104 B10R1.17 NCCSC1=NC=CC=C1 ALBB-011926 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.17 OCCCC1=CC=NC=C1 ALBB-025787 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.18 CC(N)CC1=NC=CN=C1 ALBB-014356 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.18 CC(O)CC1=NC=CC=C1 ALBB-014213 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.18 CC(O)CC1=NC=CN=C1 ALBB-011865 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.18 NC(=S)CC1=CC=CC=C1 ALBB-024310 [0,1,0,0,0,1|1,0,1]=4 110 B10R1.14 CC1=CC=C(C(=O)NN)S1 ALBB-002749 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.14 CCC(=O)C1=CC=C(C)S1 ALBB-002874 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 ALBB-002875 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.14 CNC(C)C1=CC=C(C)S1 ALBB-015181 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.14 NNC(=O)C1=CC=C(Br)S1 ALBB-002747 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 ALBB-002748 [0,2,0,0,0,0|1,0,1]=4 116 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 ALBB-034446 [0,2,0,0,0,0|1,0,1]=4 117 B10R1.16 CCNCC1=CC=C(C)O1 ALBB-015267 [0,2,0,0,0,0|1,1,0]=4 118 B10R1.54 CC1=CC(CC(C)N)=NN1 ALBB-011883 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.11 CCCC(=O)C1=CC=CS1 ALBB-002873 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.149 CC1=C(C(=O)NN)SC=C1 ALBB-002529 [0,2,0,0,0,0|1,0,1]=4 121 B10R1.21 CNCCCC1=CC=CO1 ALBB-033049 [0,2,0,0,0,0|0,1,0]=3 122 B10R1.21 OCCNCC1=CC=CS1 ALBB-015080 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.21 OCCNCC1=NC=CS1 ALBB-015081 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.27 NNC(=O)CC1=CC=CS1 ALBB-002512 [0,2,0,0,0,0|0,0,1]=3 125 B10R1.27 N\C(CC1=CC=CS1)=N/O ALBB-035287 [0,2,0,0,0,0|0,0,1]=3 126 B10R1.66 NC(=O)CCN1C=CC=N1 ALBB-005286 [0,2,0,0,0,0|2,0,0]=4 127 B10R2.2 NC1=NC2=C(CCC2)S1 ALBB-024938 [0,1,0,1,0,0|2,0,0]=4