0 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [1,0,0,0,0,0|1,0,1]=3 1 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,1,0,0,0,0|3,0,0]=4 3 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,1,0,0,0,0|3,0,0]=4 4 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,0,0,0,1,0|3,0,0]=4 5 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,0,0,0,1,0|2,0,0]=3 6 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [0,0,0,0,1,0|2,0,0]=3 7 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,0,0,0,1,0|1,0,0]=2 8 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,0,0,0,1,0|1,0,0]=2 9 B9R1.35 CC(N)C1=NN(C)C=C1 B019558 [0,0,0,0,1,0|2,0,1]=4 10 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.35 CC1=CSC(C(C)N)=N1 B059735 [0,0,0,0,1,0|2,0,1]=4 12 B9R1.35 CC1=NN(C(C)C)C=C1 B035923 [0,0,0,0,1,0|2,0,1]=4 13 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.35 CN1C=C(C(=O)Cl)C=N1 B011574 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.35 CN1C=CC([N+](=O)[O-])=N1 B006765 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.41 CC(=O)C1=NON=C1C B048952 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.41 CC(N)C1=CC=NN1C B019556 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.41 CC(N)C1=CC=NN1C B028720 [0,0,0,0,1,0|2,0,1]=4 27 B9R1.41 CC1=C(C(=O)Cl)SN=N1 B037485 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 CC1=C(C(=O)O)SN=N1 B049290 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.41 CC1=NNC=C1[N+](=O)[O-] B001470 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 CC1=NNN=C1C(=O)O B017733 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 CC1=NON=C1C(=O)O B036267 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.41 CC1=NON=C1C(N)=O B049486 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.41 CN1N=CC=C1C(N)=O B020779 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.41 CN1N=CC=C1[N+](=O)[O-] B035712 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.41 NC(=O)C1=CNN=C1N B050829 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.41 NC1=NNC=C1C(=O)O B007340 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.14 CCC(=O)C1=CN(C)N=C1 B036111 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.14 CN1C=CC(C(=O)NN)=N1 B001439 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.14 CNC(=O)C1=NN(C)C=C1 B047117 [0,1,0,0,1,0|1,0,0]=3 46 B10R1.14 COC(=O)C1=CC(C)=NN1 B024667 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.14 COC(=O)C1=CC(C)=NO1 B038460 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.14 COC(=O)C1=CN(C)N=C1 B051307 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.14 COC(=O)C1=NC(N)=NN1 B024924 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.14 COC(=O)C1=NN(C)C=C1 B016223 [0,1,0,0,1,0|1,0,0]=3 52 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,1,0,0,1,0|1,0,0]=3 55 B10R1.31 CCN1C=C(C(C)=O)C=N1 B007419 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.31 CCN1C=CC(C(=O)Cl)=N1 B011494 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.31 CCN1C=CC(C(=O)O)=N1 B000137 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.31 CCN1C=CC(C(N)=O)=N1 B020712 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.31 COC1=NC=C(C(=O)[O-])S1 B061073 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.31 NC(=O)C1=NN(CO)C=C1 B062428 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.31 O=C(O)C1=NN(CO)C=C1 B020581 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.58 CC(=O)C1=NN(C)C(C)=C1 B059391 [0,1,0,0,1,0|1,0,0]=3 65 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.58 CC1=CC(C(N)=O)=NN1C B046398 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.58 CN1N=C(C(N)=O)C=C1N B051239 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.59 CC(=O)C1=CC(C)=NN1C B018730 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.59 CC(=O)C1=CN(C)N=C1C B007420 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.59 CC(=O)C1=NN(C)C=C1Cl B017914 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.59 CC(=O)C1=NN(C)C=C1I B047752 [0,1,0,0,1,0|1,0,0]=3 74 B10R1.59 CC(=O)N1N=C(N)N=C1N B049962 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.59 CC1=NC(C(N)=O)=C(N)N1 B049430 [0,1,0,0,1,0|1,0,1]=4 76 B10R1.59 CN1C=C(Br)C(C(=O)Cl)=N1 B006620 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 B000146 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.59 CN1C=C(Cl)C(C(=O)Cl)=N1 B011500 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 B000147 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.59 CN1C=C(Cl)C(C(N)=O)=N1 B051294 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 B000136 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.59 CN1C=C(I)C(C(N)=O)=N1 B047763 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 B016041 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.59 CN1C=C(N)C(C(N)=O)=N1 B014413 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 B007422 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.39 CCN1N=CC=C1C(=O)Cl B011495 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.39 CCN1N=CC=C1C(=O)O B000138 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.39 CCN1N=CC=C1C(C)=O B016266 [0,1,0,0,1,0|1,0,0]=3 89 B10R1.39 CCN1N=CC=C1C(N)=O B062240 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.149 CC1=NON=C1C(=O)CBr B050164 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.149 CN1N=CC=C1C(=O)NN B015404 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.149 COC(=O)C1=CC=NN1C B016222 [0,1,0,0,1,0|1,0,0]=3 93 B10R1.149 COC(=O)C1=CNN=C1N B017734 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.149 C\C(=N/O)C1=CC=NN1C B039258 [0,1,0,0,1,0|1,0,1]=4 95 B10R1.192 CC(=O)C1=C(Br)C=NN1C B017918 [0,1,0,0,1,0|1,0,0]=3 96 B10R1.192 CC(=O)C1=C(Cl)C=NN1C B017917 [0,1,0,0,1,0|1,0,0]=3 97 B10R1.192 CC(=O)C1=C(I)C=NN1C B047751 [0,1,0,0,1,0|1,0,0]=3 98 B10R1.192 CC1=C(C(=O)O)N(C)N=C1 B051844 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.192 CC1=NNC(C)=C1C(=O)O B035928 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.192 CC1=NOC(C)=C1C(=O)O B007458 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.192 CC1=NOC(N)=C1C(=O)O B049402 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl B011491 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.192 CN1N=CC(Br)=C1C(=O)O B000134 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.192 CN1N=CC(Cl)=C1C(=O)Cl B011501 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.192 CN1N=CC(Cl)=C1C(=O)O B000148 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.192 CN1N=CC(I)=C1C(=O)O B000969 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.192 CN1N=CC(I)=C1C(N)=O B047762 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.192 CN1N=CC(N)=C1C(=O)O B016027 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.192 CN1N=CC(N)=C1C(=O)O B038616 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.192 CN1N=CC(N)=C1C(N)=O B014411 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 B049563 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 B020237 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.453 CSC1=NC(C(=O)O)=C(Br)C=N1 B050202 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.453 CSC1=NC=C(Cl)C(C(=O)O)=N1 B049339 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 B000300 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,1,0|1,0,0]=3 118 B8R1.1 CC1=NNC(C=O)=C1 B014001 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.1 CCN1C=CC(C)=N1 B006751 [1,0,0,0,1,0|1,0,1]=4 120 B8R1.1 CN1C=C(C=O)C=N1 B000400 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.1 CN1C=CC(C=O)=N1 B007390 [1,0,0,0,1,0|1,0,0]=3 122 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.11 C(=O)C1=NC=NN1C B052001 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.11 CC1=C(C=O)C=NN1 B034879 [1,0,0,0,1,0|1,0,1]=4 126 B8R1.11 CC1=C(C=O)C=NN1 B047429 [1,0,0,0,1,0|1,0,1]=4 127 B8R1.11 CCC1=CC=NN1C B037958 [1,0,0,0,1,0|1,0,1]=4 128 B8R1.11 CN1N=CC=C1C=O B007393 [1,0,0,0,1,0|1,0,0]=3 129 B8R1.7 NC(=O)C1=CNN=C1 B037919 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.7 NC(=O)C1=NNC=C1 B039302 [1,0,0,0,1,0|1,0,1]=4 131 B8R1.7 O=C(Cl)C1=CNN=C1 B047520 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.7 O=C(O)C1=CNN=C1 B015883 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,0,0,0,1,0|1,0,1]=4 135 B8R1.7 O=C(O)C1=NON=C1 B050168 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.7 O=C(O)C1=NSN=C1 B049226 [1,0,0,0,1,0|2,0,0]=4