0 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.5 CC1=CC=NC=C1C BBL027583 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.5 NC1=CC=CN=C1N BBL011063 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.5 OC1=CC=CN=C1Br BBL013305 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 BrC1=CC=CC=N1 BBL027568 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.3 BrC1=CN=CC=C1 BBL027581 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.3 CC1=CC=NC=C1 BBL011459 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.3 ClC1=NC=CC=C1 BBL027569 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.3 ClC1=NC=CN=C1 BBL011919 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.3 FC1=CC=CC=N1 BBL010032 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 NC1=CC=CC=N1 BBL011573 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.3 OC1=CN=CC=C1 BBL010946 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 OC1=NC=CC=C1 BBL027571 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 SC1=NC=CC=N1 BBL025630 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.3 CC1=C(O)C(=O)C=CO1 BBL011669 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.3 CC1=C(O)OC=CC1=O BBL029401 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.3 CC1=CC=CC(C)=C1O BBL011609 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.3 CC1=CC=CC(N)=C1O BBL000343 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.15 CC1=C(C#N)N=CC=C1 BBL011525 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.15 CC1=C(CBr)N=CC=C1 BBL038258 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.15 COC1=NC=CC=C1N BBL029047 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.15 NC1=CC=CC=C1CO BBL027657 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.15 NNC1=NC=CN=C1Cl BBL005540 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.15 O=CC1=CC=CN=C1Cl BBL011559 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.69 CC1=C(F)C=C(N)C=C1 BBL100253 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=C(N)C=C(N)C=C1 BBL011285 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=CN=C(C)C(Cl)=N1 BBL027561 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.69 CN1N=C(Cl)C=CC1=O BBL029605 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.69 NC1=C(Br)C=C(Br)C=N1 BBL000187 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.69 NC1=CC(Br)=CN=C1N BBL013028 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.69 NC1=NC=C(Br)N=C1Br BBL100345 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.4 CC1=CC=NN1C BBL029437 [0,0,0,0,1,0|1,0,0]=2 42 B7R1.4 CC1=NC=CN1C BBL011425 [0,0,0,0,1,0|1,0,0]=2 43 B7R1.4 CC1=NNC=C1Br BBL013133 [0,0,0,0,1,0|2,0,0]=3 44 B7R1.4 CC1=NNC=C1I BBL031626 [0,0,0,0,1,0|2,0,0]=3 45 B7R1.4 CC1=NNC=C1N BBL030292 [0,0,0,0,1,0|2,0,0]=3 46 B7R1.4 CN1N=NN=C1[S-] BBL011313 [0,0,0,0,1,0|3,0,0]=4 47 B7R1.4 ClC1=NSN=C1Cl BBL027771 [0,0,0,0,1,0|3,0,0]=4 48 B7R1.4 IC1=C(I)NC=N1 BBL029092 [0,0,0,0,1,0|2,0,1]=4 49 B7R1.4 NC1=NNC=C1Br BBL010207 [0,0,0,0,1,0|3,0,0]=4 50 B7R1.4 NC1=NON=C1N BBL008366 [0,0,0,0,1,0|3,0,0]=4 51 B6R1.1 C1=CN=CC=N1 BBL027560 [2,0,0,0,0,0|0,0,0]=2 52 B6R1.1 C1=CN=NC=C1 BBL027585 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [1,1,0,0,0,0|1,0,1]=4 54 B8R1.2 COC1=NC=CC=C1 BBL011495 [1,1,0,0,0,0|1,0,0]=3 55 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [1,1,0,0,0,0|1,0,0]=3 56 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.2 NCC1=CC=CN=C1 BBL036897 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.2 NNC1=NC=CC=C1 BBL027570 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.2 OCC1=CC=CC=C1 BBL011938 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.3 CC1=CC=C(Cl)N=N1 BBL036277 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.3 CC1=CN=C(S)N=C1 BBL038257 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.3 ClC1=CC=C(Br)C=N1 BBL012798 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.3 FC1=CN=C(Cl)C=C1 BBL029883 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.3 NC1=CN=C(Cl)C=C1 BBL011061 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.4 NC1=CC=CC(N)=N1 BBL011548 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.4 NC1=CC=NC(Cl)=C1 BBL009974 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.4 NC1=NC(Cl)=CN=C1 BBL028064 [1,1,0,0,0,0|1,0,0]=3 73 B8R1.4 NC1=NC=CC(Cl)=C1 BBL011142 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.11 CC1=C(CN)C=NN1 BBL008531 [0,1,0,0,1,0|1,0,1]=4 75 B8R1.11 CC1=C(CO)N=CN1 BBL013124 [0,1,0,0,1,0|0,0,1]=3 76 B8R1.11 CC1=NON=C1CCl BBL040908 [0,1,0,0,1,0|1,0,0]=3 77 B8R1.11 CC1=NON=C1CI BBL036814 [0,1,0,0,1,0|1,0,0]=3 78 B8R1.11 CCN1N=CC=C1C BBL039617 [0,1,0,0,1,0|1,0,0]=3 79 B8R1.11 CCN1N=CC=C1N BBL040281 [0,1,0,0,1,0|2,0,0]=4 80 B8R1.11 CN1C=CC=C1CN BBL029743 [0,1,0,0,1,0|2,0,0]=4 81 B8R1.11 CN1N=CC=C1CN BBL104311 [0,1,0,0,1,0|1,0,0]=3 82 B8R1.11 CN1N=CC=C1CO BBL040783 [0,1,0,0,1,0|1,0,0]=3 83 B8R1.11 CN1N=CN=C1NN BBL036769 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.18 CC1=C(C)SC(Br)=N1 BBL031925 [0,1,0,0,1,0|1,0,0]=3 85 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,1,0,0,1,0|2,0,0]=4 86 B8R1.18 CC1=NC(Br)=NN1C BBL033203 [0,1,0,0,1,0|1,0,0]=3 87 B8R1.18 CC1=NC(Cl)=NN1C BBL033284 [0,1,0,0,1,0|1,0,0]=3 88 B8R1.18 CC1=NN(C)C=C1Br BBL016252 [0,1,0,0,1,0|2,0,0]=4 89 B8R1.18 CC1=NN(C)C=C1N BBL013092 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.18 CN1N=C(Br)N=C1N BBL036752 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.18 CN1N=C(Br)N=C1O BBL036497 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.50 CC1=C(Br)C=NN1C BBL031474 [0,1,0,0,1,0|1,0,0]=3 93 B8R1.50 CC1=NNC(C)=C1N BBL005485 [0,1,0,0,1,0|2,0,0]=4 94 B8R1.50 CC1=NOC(C)=C1N BBL038495 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.22 CC1=CC(N)=CC(N)=C1C BBL002799 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.22 CC1=NC(S)=NC(O)=C1C BBL025695 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.119 CC1=C(C)C(O)=CC=C1O BBL027769 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.119 CC1=CC=C(N)C(O)=C1C BBL002402 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.245 COC1=C(C)NC=CC1=O BBL029879 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.20 COC1=C(C#N)C=CC=N1 BBL012509 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.20 COC1=CC=CC=C1CN BBL027680 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.25 CC1=NC(Cl)=CC=C1C#N BBL035701 [0,2,0,0,0,0|1,0,1]=4 104 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.118 CC1=CC(N)=C(O)C=C1C BBL009518 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.118 CC1=NC(C)=C(C)N=C1C BBL012277 [0,2,0,0,0,0|0,0,0]=2 107 B10R1.118 CC1=NC(N)=C(Br)C=C1Br BBL000363 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.176 CC1=C(C)C=C(CN)C=C1 BBL037742 [0,2,0,0,0,0|2,0,0]=4 109 B6R1.2 BrC1=CNC=N1 BBL011159 [1,0,0,0,1,0|1,0,1]=4 110 B6R1.2 BrC1=NC=CS1 BBL027513 [1,0,0,0,1,0|2,0,0]=4 111 B6R1.2 CC1=NC=CN1 BBL013047 [1,0,0,0,1,0|0,0,1]=3 112 B6R1.2 CN1C=CN=C1 BBL011447 [1,0,0,0,1,0|1,0,0]=3 113 B6R1.2 ClC1=CC=CS1 BBL027523 [1,0,0,0,1,0|2,0,0]=4 114 B6R1.2 ClC1=NSN=C1 BBL033325 [1,0,0,0,1,0|2,0,0]=4 115 B6R1.2 IC1=NNC=N1 BBL012756 [1,0,0,0,1,0|2,0,0]=4 116 B6R1.2 NC1=CC=NN1 BBL008564 [1,0,0,0,1,0|2,0,0]=4 117 B6R1.2 NC1=CNN=C1 BBL012618 [1,0,0,0,1,0|2,0,0]=4 118 B6R1.2 NC1=NC=CN1 BBL029017 [1,0,0,0,1,0|1,0,1]=4 119 B6R1.2 NC1=NNC=N1 BBL012592 [1,0,0,0,1,0|2,0,0]=4 120 B6R1.2 OC1=NC=NN1 BBL033023 [1,0,0,0,1,0|2,0,0]=4