0 B8R1.11 CN1C=CC=C1C=O BBL001423 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.11 CN1C=CC=C1CN BBL029743 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.11 CN1N=CC=C1CN BBL104311 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.11 CN1N=CC=C1CO BBL040783 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.11 CN1N=CN=C1NN BBL036769 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 CCC1=NC=CN1 BBL027503 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.1 NCC1=CC=CO1 BBL011620 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 NCC1=CC=NN1 BBL038226 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 O=CC1=CN=CN1 BBL029981 [1,0,0,0,0,0|1,0,0]=2 9 B7R1.1 O=CC1=CNN=C1 BBL038290 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 O=CC1=CSC=C1 BBL012656 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.4 CC1=CC=NN1C BBL029437 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.4 CC1=NC=CN1C BBL011425 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.14 CCN1C=CN=C1C=O BBL030781 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.14 CCN1N=CC=C1C=O BBL038981 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.22 CC1=CC(C=O)=C(C)N1 BBL012646 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.22 CC1=CC(C=O)=C(C)S1 BBL039889 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.22 CC1=NN(C)C(C#N)=C1 BBL039937 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.22 CC1=NN(C)C(C=O)=C1 BBL104313 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.22 CN1C=C(Br)C=C1C#N BBL033031 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.22 CN1C=C(Br)C=C1C=O BBL033385 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.27 CN1N=CC(Br)=C1C=O BBL038343 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.27 CN1N=CC(Cl)=C1C=O BBL038843 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.27 CN1N=CC(Cl)=C1CN BBL038809 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.33 CNCC1=CC=NN1C BBL039123 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.41 CC(=O)C1=CC=NN1C BBL030287 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.41 CC1=NNC=C1C(=O)O BBL011874 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.41 CN1N=CC=C1C(=O)Cl BBL037395 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.41 NC(=O)C1=C(N)SC=C1 BBL013529 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.132 CC1=CC=C(C=O)N1C BBL012642 [0,1,0,0,0,0|0,0,0]=1 30 B9R1.2 CC1=CC=CC(NN)=C1 BBL012136 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.2 O=CC1=NC(Br)=CC=C1 BBL011062 [0,0,0,0,0,1|2,0,0]=3 32 B9R1.15 CC1=C(C#N)N=CC=C1 BBL011525 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.15 CC1=C(CBr)N=CC=C1 BBL038258 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [0,0,0,0,0,1|2,0,0]=3 36 B9R1.15 O=CC1=CC=CN=C1Cl BBL011559 [0,0,0,0,0,1|2,0,0]=3 37 B6R1.2 CC1=NC=CN1 BBL013047 [2,0,0,0,0,0|1,0,1]=4 38 B6R1.2 CN1C=CN=C1 BBL011447 [2,0,0,0,0,0|1,0,0]=3 39 B6R1.2 ClC1=CC=CS1 BBL027523 [2,0,0,0,0,0|2,0,0]=4 40 B6R1.2 NC1=CC=NN1 BBL008564 [2,0,0,0,0,0|2,0,0]=4 41 B6R1.2 NC1=NC=CN1 BBL029017 [2,0,0,0,0,0|2,0,0]=4 42 B6R1.2 O=C1C=CCC1 BBL100014 [2,0,0,0,0,0|1,0,1]=4 43 B6R1.2 O=C1NC=NN1 BBL028622 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 O=C1OC=CO1 BBL027517 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [1,1,0,0,0,0|0,0,0]=2 46 B8R1.1 CN1C=CC(C=O)=N1 BBL104309 [1,1,0,0,0,0|1,0,1]=4 47 B8R1.1 NC1=NC=C(C=O)S1 BBL013302 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [1,1,0,0,0,0|1,0,0]=3 49 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.1 O=CC1=CN=C(Br)S1 BBL030098 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [1,1,0,0,0,0|0,0,0]=2 52 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.7 O=C(O)C1=NN=CN1 BBL033501 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.50 CC1=C(Br)C=NN1C BBL031474 [1,1,0,0,0,0|1,0,1]=4 58 B8R1.50 CN1C(=O)CNC1=S BBL041070 [1,1,0,0,0,0|1,0,1]=4 59 B8R1.50 CN1C=NC(Cl)=C1Cl BBL028128 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.50 CN1C=NC(I)=C1I BBL029822 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BBL000528 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.2 O=CC1=CC=CC(Cl)=C1F BBL036949 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 BBL104269 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 BBL013072 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 BBL029881 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [0,1,0,0,0,1|1,0,0]=3 68 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 BBL012227 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.172 C#CC1=CC(C=O)=CC=C1 BBL104265 [0,1,0,0,0,1|1,0,1]=4 76 B10R1.176 COC1=NN(C)C(=O)C=C1 BBL033022 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BBL036948 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.176 O=CC1=CC=C(O)C(O)=C1 BBL010377 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.20 O=CC1=CC=CC=C1C=O BBL027435 [0,1,0,0,0,1|1,0,1]=4 80 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 BBL028278 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.25 O=CC1=CC=C(Br)C=C1F BBL011909 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.25 O=CC1=CC=C(O)C=C1O BBL012171 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl BBL023680 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.5 C=CCN1C=CC=C1C=O BBL031938 [0,2,0,0,0,0|0,0,0]=2 96 B10R1.5 CCCN1N=CC=C1C=O BBL040031 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.39 CC(C)N1N=CC=C1C=O BBL029888 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.39 CCN1N=CC=C1C(=O)O BBL001449 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.39 NCC1=CC=CN1C(C)C BBL033137 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.39 O=CC1=CC=NN1C(F)F BBL041018 [0,2,0,0,0,0|1,0,0]=3 101 B10R1.257 CCN1N=CC(Br)=C1C=O BBL038729 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.257 CCN1N=CC(Cl)=C1C=O BBL038569 [0,2,0,0,0,0|1,0,0]=3 103 B10R1.59 CC(=O)C1=CC(C)=NN1C BBL038942 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 BBL014856 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BBL012869 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BBL014473 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.59 CN1C=C(Br)C=C1C(=O)O BBL030879 [0,2,0,0,0,0|0,0,0]=2 108 B10R1.59 CN1C=C(Cl)C=C1C(=O)O BBL025924 [0,2,0,0,0,0|0,0,0]=2 109 B10R1.59 CN1N=C(Cl)N=C1C(=O)O BBL036761 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.59 CN1N=C(N)C=C1C(=O)O BBL040299 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.256 CC1=C(Br)C(C=O)=C(C)N1 BBL033354 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.256 CC1=C(I)C(C=O)=C(C)N1 BBL033358 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.192 CC(=O)C1=C(Br)C=NN1C BBL038451 [0,2,0,0,0,0|1,0,0]=3 114 B10R1.192 CC(=O)C1=C(Cl)C=NN1C BBL039872 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl BBL041085 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.192 CN1N=CC(Cl)=C1C(=O)Cl BBL014500 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.192 CN1N=CC(N)=C1C(=O)O BBL039188 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.192 CN1N=CC(N)=C1C(N)=O BBL039385 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.149 CC1=C(C(=O)NN)C=CO1 BBL008410 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.149 CC1=C(C(=O)NN)SC=C1 BBL016100 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.149 CN1N=CC=C1C(=O)NN BBL014362 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.149 COC(=O)C1=C(C)OC=C1 BBL011396 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.149 COC(=O)C1=CC=NN1C BBL038725 [0,2,0,0,0,0|1,0,0]=3 124 B10R1.194 CC1=C(C)C(C(=O)Cl)=CS1 BBL014947 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 BBL016567 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.194 CC1=CC=C(C(N)=S)N1C BBL040709 [0,2,0,0,0,0|0,1,0]=3 127 B10R1.194 CC1=NC=C([N+](=O)[O-])N1C BBL028012 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.2 COC1=NC=CC=C1 BBL011495 [0,0,1,1,0,0|2,0,0]=4 129 B8R1.2 NNC1=CC=CC=C1 BBL011601 [0,0,1,1,0,0|2,0,0]=4 130 B8R1.2 NNC1=NC=CC=C1 BBL027570 [0,0,1,1,0,0|2,0,0]=4 131 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [0,0,1,1,0,0|2,0,0]=4 132 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [0,0,1,1,0,0|1,0,1]=4