0 B8R1.7 CC(C)C1=NNC=C1 B037623 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 CC(C)N1C=CC=N1 B036490 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,0,0,0,0,0|1,1,1]=3 3 B8R1.7 CC(N)C1=CSC=N1 B059754 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,0,0,0,0,0|2,1,1]=4 5 B8R1.7 NC(=O)C1=CNN=C1 B037919 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 NC(=O)C1=NNC=C1 B039302 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 O=C(Cl)C1=CNN=C1 B047520 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.7 O=C(O)C1=CNN=C1 B015883 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 O=C(O)C1=NNC=N1 B048959 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 O=C(O)C1=NON=C1 B050168 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 O=C(O)C1=NSN=C1 B049226 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 O=[N+]([O-])C1=NNC=C1 B006760 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 C(=O)C1=CC=NN1 B039168 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 CCC1=CC=NO1 B063494 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 CCC1=NNC=C1 B063501 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 ClCC1=CC=NO1 B049837 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.1 O=CC1=CNN=C1 B015969 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 O=CC1=CNN=C1 B039241 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 O=CC1=NC=CS1 B046187 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [0,1,0,0,0,0|1,1,0]=3 24 B9R1.11 CNC(=O)C1=CNN=C1 B046789 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.11 CNC(=O)C1=NNC=C1 B047463 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.11 COC(=O)C1=CNN=C1 B030267 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.11 C\C(=N/O)C1=CC=CO1 B006531 [0,1,0,0,0,0|0,0,1]=2 31 B9R1.11 NNC(=O)C1=NNC=C1 B015431 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,1,0,0,0,0|0,1,0]=2 33 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,1,0,0,0,0|0,1,0]=2 34 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [0,1,0,0,0,0|0,1,2]=4 38 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,1,0,0,0,0|1,1,0]=3 47 B9R1.35 NC(=O)C1=NNC(N)=C1 B046261 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,1,0,0,0,0|1,1,0]=3 50 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,1,0,0,0,0|1,1,0]=3 51 B9R1.35 O=C(O)C1=CC(I)=NN1 B062956 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,1,0,0,0,0|1,1,0]=3 53 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [0,1,0,0,0,0|2,1,0]=4 55 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.41 CC(=O)C1=NON=C1C B048952 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.41 CN1N=CC=C1C(N)=O B020779 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.41 NC(=O)C1=NNC=C1I B047693 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.41 NC(=O)C1=NNC=C1N B047294 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.41 NC(=O)C1=NSC=C1N B050218 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.41 O=C(Cl)C1=NNC=C1Br B011870 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.41 O=C(Cl)C1=NNC=C1Cl B011488 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,0,1|2,1,0]=4 73 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.13 CC(=O)CN1C=CN=C1 B039452 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,0,0,0,0,1|1,0,1]=3 76 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,0,0,0,0,1|3,0,0]=4 77 B6R1.2 CC1=NNC=C1 B022230 [2,0,0,0,0,0|2,0,0]=4 78 B6R1.2 CN1C=CC=N1 B006761 [2,0,0,0,0,0|2,0,0]=4 79 B6R1.2 FC1=CC=CS1 B039753 [2,0,0,0,0,0|1,1,0]=4 80 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,1,0,0,0,0|0,1,0]=3 81 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,1,0,0,0,0|0,1,0]=3 82 B8R1.1 CC1=NNC(C=O)=C1 B014001 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.1 CN1C=CC(C=O)=N1 B007390 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.1 N#CC1=CC=C(Br)O1 B048731 [1,1,0,0,0,0|1,0,1]=4 85 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,1,0,0,0,0|0,1,0]=3 86 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [1,1,0,0,0,0|1,1,0]=4 87 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,1,0,0,0,0|2,0,0]=4 88 B8R1.8 CCCC1=CC=CS1 B046363 [1,1,0,0,0,0|0,1,1]=4 89 B8R1.8 NCCC1=CC=CO1 B029933 [1,1,0,0,0,0|0,0,1]=3 90 B8R1.8 NCCC1=CC=CO1 B049455 [1,1,0,0,0,0|0,0,1]=3 91 B8R1.11 C(=O)C1=C(C)C=NN1 B039268 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.11 CCC1=C(Br)C=NO1 B063493 [1,1,0,0,0,0|1,0,1]=4 93 B8R1.11 CCC1=C(I)C=NO1 B063495 [1,1,0,0,0,0|1,0,1]=4 94 B8R1.11 CN1C=CN=C1C=O B038490 [1,1,0,0,0,0|2,0,0]=4 95 B8R1.11 CN1N=CC=C1C=O B007393 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.11 O=CC1=C(Cl)C=NN1 B039275 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,1,0,0,0,1|1,0,1]=4 99 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [0,1,0,0,0,1|1,0,1]=4 100 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,1,0,0,0,1|0,0,0]=2 102 B10R1.27 COC(=O)CN1C=CC=N1 B030300 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.27 NNC(=O)CC1=CC=CS1 B015007 [0,1,0,0,0,1|1,1,0]=4 104 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B021112 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B034873 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.54 CC(=O)CN1C=C(C)C=N1 B037599 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.54 CC(=O)CN1C=CC(C)=N1 B020842 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,1,0,0,0,1|1,1,0]=4 109 B10R1.64 CC(=O)CN1N=CC=C1C B021106 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.11 CCNC(=O)C1=NNC=C1 B063799 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.11 CCOC(=O)C1=CC=NN1 B016205 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.14 CNC(=O)C1=NN(C)C=C1 B047117 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.14 COC(=O)C1=CC(C)=NN1 B024667 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.14 COC(=O)C1=CC(C)=NO1 B038460 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,2,0,0,0,0|0,1,0]=3 116 B10R1.14 COC(=O)C1=NN(C)C=C1 B016223 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.14 COC(=O)C1=NNC(I)=C1 B062943 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.14 COC(=O)C1=NNC(N)=C1 B022624 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.14 COC(=O)C1=NNC(N)=C1 B051754 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.14 COC(=O)C1=NOC(C)=C1 B007472 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 B046287 [0,2,0,0,0,0|0,1,1]=4 122 B10R1.14 NNC(=O)C1=CC(Br)=CS1 B015343 [0,2,0,0,0,0|1,1,0]=4 123 B10R1.14 NNC(=O)C1=CC=C(F)S1 B052501 [0,2,0,0,0,0|1,1,0]=4 124 B10R1.149 COC(=O)C1=C(N)C=CS1 B020093 [0,2,0,0,0,0|0,1,0]=3 125 B10R1.149 COC(=O)C1=C(O)C=CS1 B029631 [0,2,0,0,0,0|0,1,0]=3 126 B10R1.149 COC(=O)C1=CC=NN1C B016222 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.149 COC(=O)C1=NNC=C1Br B020665 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.149 COC(=O)C1=NNC=C1Cl B018604 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.149 COC(=O)C1=NNC=C1I B036016 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.149 COC(=O)C1=NNC=C1N B050914 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,2,0,0,0,0|0,1,0]=3 132 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,2,0,0,0,0|1,1,0]=4 133 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,2,0,0,0,0|0,1,0]=3 134 B10R1.31 CCC1=NOC(C(=O)O)=C1 B036531 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.58 CC(=O)C1=NN(C)C(C)=C1 B059391 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,2,0,0,0,0|1,1,0]=4 138 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,2,0,0,0,0|1,1,0]=4 139 B10R1.59 CC(=O)C1=CC(C)=NN1C B018730 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.59 CC(=O)C1=NN(C)C=C1Cl B017914 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.59 CC(=O)C1=NN(C)C=C1I B047752 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.194 CC1=NOC(C(=O)O)=C1C B036561 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.39 CCN1N=CC=C1C(C)=O B016266 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.192 CC(=O)C1=C(Br)C=NN1C B017918 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.192 CC(=O)C1=C(Cl)C=NN1C B017917 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.192 CC(=O)C1=C(I)C=NN1C B047751 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,0,0,0,0,2|1,0,1]=4 148 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [0,0,0,0,0,2|2,0,0]=4