0 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 BB_SC-10380 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC1=CC(C(=O)O)=NO1 BB_SC-09038 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 BB_SC-04008 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC1=NC([N+](=O)[O-])=CN1 BB_SC-09353 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC1=NN=C(C(=O)O)N1 BB_SC-06064 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.35 CC1=NNC(C(=O)O)=C1 BB_SC-01241 [0,0,0,0,0,0|0,0,2]=2 8 B9R1.35 CC1=NOC(C(=O)O)=C1 BB_SC-09172 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.35 CN1C=C(C(=O)O)C=N1 BB_SC-06364 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 CN1C=CC(C(=O)O)=N1 BB_SC-06189 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 NC1=NNC(C(=O)O)=N1 BB_SC-11999 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 O=C(O)C1=CC(Cl)=NO1 BB_SC-10605 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 O=C(O)C1=CN=C(Br)S1 BB_SC-05194 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB_SC-05193 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 O=C(O)C1=NC(Br)=NN1 BB_SC-10987 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 O=C(O)C1=NC(O)=NN1 BB_SC-10126 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C(O)C1=NNC(Cl)=N1 BB_SC-09708 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 O=C1C=C(C(=O)O)NN1 BB_SC-04251 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.35 O=C1NN=C(C(=O)[O-])N1 BB_SC-11428 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.35 O=[N+]([O-])C1=NNC(Br)=N1 BB_SC-08395 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 NC1=NC(CO)=NN1 BB_SC-09323 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 CS(=O)C1=NNC=N1 BB_SC-09591 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 O=C(Cl)C1=CSN=N1 BB_SC-04191 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 O=C(O)C1=CSN=N1 BB_SC-04188 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.7 O=C(O)C1=NC=NN1 BB_SC-10825 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [1,0,0,0,0,0|0,0,0]=1 37 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB_SC-03912 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 O=[N+]([O-])C1=NNC=N1 BB_SC-03899 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.14 CC1=NNC(C(=O)NN)=C1 BB_SC-01244 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.14 COC(=O)C1=CC(C)=NN1 BB_SC-10065 [0,1,0,0,0,0|0,0,2]=3 41 B10R1.14 COC(=O)C1=NC(C)=NN1 BB_SC-11845 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.14 COC(=O)C1=NNC(N)=N1 BB_SC-01265 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.14 COC(=O)C1=NNC(N)=N1 BB_SC-12596 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.14 O=C(NO)C1=NNC(Cl)=N1 BB_SC-09880 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB_SC-03794 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.31 CCN1C=C(C(=O)O)C=N1 BB_SC-03983 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.31 O=C(O)C1=CN(CO)N=C1 BB_SC-03778 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB_SC-03840 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.58 CN1N=C(C(=O)O)N=C1Br BB_SC-12099 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.58 CN1N=C(C(=O)O)N=C1Cl BB_SC-12082 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.58 CN1N=C(C(=O)O)N=C1O BB_SC-12083 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.58 CN1N=C(C(N)=O)N=C1Cl BB_SC-12585 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 BB_SC-02829 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BB_SC-02529 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BB_SC-11243 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BB_SC-02514 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 BB_SC-05319 [0,1,0,0,0,0|0,0,2]=3 58 B10R1.59 CC1=NN(C)C=C1C(=O)O BB_SC-05011 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.59 CN1C=C(Br)C=C1C(=O)O BB_SC-11393 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.194 CC1=C(C(=O)O)C=NN1C BB_SC-03700 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.194 CC1=C(C(=O)O)NNC1=O BB_SC-05925 [0,1,0,0,0,0|1,0,1]=3 62 B10R1.194 CC1=NNC(C(=O)O)=C1Br BB_SC-08542 [0,1,0,0,0,0|0,0,2]=3 63 B10R1.194 CC1=NNC(C(=O)O)=C1Cl BB_SC-09350 [0,1,0,0,0,0|0,0,2]=3 64 B10R1.194 CC1=NNC(C(=O)O)=C1I BB_SC-09349 [0,1,0,0,0,0|0,0,2]=3 65 B10R1.194 CC1=NNC(C(N)=O)=C1Br BB_SC-11839 [0,1,0,0,0,0|1,0,2]=4 66 B10R1.194 CN1N=CC(C(=O)O)=C1N BB_SC-08755 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.13 NC1=CC=C(C(=O)O)C=N1 BB_SC-05191 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 BB_SC-03259 [0,0,0,0,0,1|2,0,1]=4 73 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BB_NC-01873 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB_SC-03396 [0,0,0,0,0,1|1,0,0]=2 76 B10R1.13 O=C1CCC(C(=O)O)=NN1 BB_SC-03397 [0,0,0,0,0,1|1,0,1]=3 77 B10R1.54 CC1=CN(CC(=O)O)N=C1 BB_SC-03787 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.54 CC1=NC(CC(=O)O)=CS1 BB_SC-04496 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.54 NC(=O)CC1=NNC(N)=N1 BB_SC-09878 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.54 NC1=NN=C(CC(=O)O)N1 BB_SC-01969 [0,0,0,0,0,1|2,0,1]=4 81 B10R1.54 O=C(O)CC1=CC(=O)NN1 BB_SC-11830 [0,0,0,0,0,1|1,0,1]=3 82 B10R1.54 O=C(O)CN1C=C(Br)C=N1 BB_SC-08869 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.54 O=C(O)CN1C=C(I)C=N1 BB_SC-12419 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB_SC-04954 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BB_SC-05192 [0,0,0,0,0,1|2,0,1]=4 87 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB_SC-03258 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB_SC-04632 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BB_NC-01971 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [0,0,0,0,0,1|3,0,0]=4 92 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,0,1,0,0,0|2,0,0]=4 93 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [2,0,0,0,0,0|1,0,1]=4 94 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [2,0,0,0,0,0|2,0,0]=4 95 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [2,0,0,0,0,0|2,0,0]=4 96 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [2,0,0,0,0,0|2,0,0]=4 97 B7R1.2 CC1=CC(C)=NN1 BB_SC-02785 [2,0,0,0,0,0|0,0,1]=3 98 B7R1.2 CC1=CC(N)=NN1 BB_SC-06362 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.2 CC1=CC(N)=NO1 BB_NC-00012 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [2,0,0,0,0,0|1,0,0]=3 101 B7R1.2 CC1=NC(Br)=NN1 BB_SC-10683 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.2 CC1=NC(Cl)=NN1 BB_SC-01455 [2,0,0,0,0,0|2,0,0]=4 103 B7R1.2 CC1=NC(N)=NN1 BB_SC-06184 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.2 NC1=CC(O)=NO1 BB_SC-11092 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.22 CC1=CC(C=O)=C(C)N1 BB_SC-05221 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [1,1,0,0,0,0|0,0,0]=2 107 B9R1.41 CC1=C(C(=O)O)C=NN1 BB_SC-06431 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.41 CC1=NNN=C1C(=O)O BB_SC-03777 [1,1,0,0,0,0|1,0,0]=3 109 B9R1.41 CC1=NON=C1C(=O)O BB_SC-04480 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.41 CN1N=CC=C1C(=O)O BB_SC-06188 [1,1,0,0,0,0|0,0,2]=4 111 B9R1.41 NC1=NON=C1C(=O)O BB_SC-02649 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB_SC-08463 [1,1,0,0,0,0|0,0,2]=4 113 B9R1.41 O=C(O)C1=C(I)C=NN1 BB_SC-10159 [1,1,0,0,0,0|0,0,2]=4 114 B9R1.41 O=C(O)C1=NNC=C1Br BB_SC-03756 [1,1,0,0,0,0|0,0,0]=2 115 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BB_SC-06870 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.3 COC1=CC=C(C(=O)O)C=N1 BB_SC-04906 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 BB_NC-00019 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 BB_SC-05597 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 BB_SC-06208 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] BB_SC-02776 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB_SC-05030 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB_SC-10587 [0,1,0,0,0,1|1,0,0]=3 123 B11R1.166 NC1=NC(=O)NC=C1C(=O)O BB_NC-00362 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 BB_NC-02545 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.39 COC(=O)CC1=NNC(N)=N1 BB_SC-09709 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 BB_SC-09506 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BB_SC-10583 [0,1,0,0,0,1|0,0,1]=3 128 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BB_NC-02208 [0,1,0,0,0,1|1,0,1]=4 129 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 BB_NC-02936 [0,1,0,0,0,1|1,0,1]=4 130 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O BB_SC-04655 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB_SC-04908 [0,1,0,0,0,1|1,0,1]=4 132 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BB_SC-03750 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.15 CCOC(=O)C1=CC(C)=NN1 BB_SC-03685 [0,2,0,0,0,0|0,0,2]=4 134 B11R1.15 CCOC(=O)C1=CC(C)=NO1 BB_SC-09173 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.15 CCOC(=O)C1=NOC(C)=C1 BB_SC-09039 [0,2,0,0,0,0|1,0,0]=3 136 B11R1.44 COC(=O)C1=CC(CCl)=CS1 BB_SC-03951 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 BB_SC-03842 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.225 COC(=O)C1=CC(C)=NN1C BB_SC-11067 [0,2,0,0,0,0|0,0,2]=4 139 B11R1.226 COC(=O)C1=NN(C)C(Br)=N1 BB_SC-11556 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.226 COC(=O)C1=NN(C)C(Cl)=N1 BB_SC-12051 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.865 COC(=O)C1=C(Br)C(C)=NN1 BB_SC-08547 [0,2,0,0,0,0|0,0,2]=4 142 B11R1.865 COC(=O)C1=C(Cl)C(C)=NN1 BB_SC-12120 [0,2,0,0,0,0|0,0,2]=4 143 B11R1.865 COC(=O)C1=C(I)C(C)=NN1 BB_SC-12121 [0,2,0,0,0,0|0,0,2]=4 144 B11R1.48 CC1=CC([N+](=O)[O-])=NN1CCl BB_SC-06194 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.48 CC1=CC([N+](=O)[O-])=NN1CO BB_SC-03925 [0,2,0,0,0,0|1,0,1]=4 146 B11R1.48 CCN1N=C(C(=O)O)C=C1C BB_SC-03762 [0,2,0,0,0,0|0,0,0]=2 147 B11R1.48 COC1=NC(C(=O)O)=NN1C BB_SC-12541 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.124 CCCC1=NNC(C(=O)O)=C1 BB_SC-10406 [0,2,0,0,0,0|0,0,2]=4 149 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 BB_SC-10584 [0,2,0,0,0,0|0,0,2]=4 150 B11R1.473 CCC1=NNC(C(=O)O)=C1Br BB_SC-11926 [0,2,0,0,0,0|0,0,2]=4 151 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB_SC-03763 [0,2,0,0,0,0|0,0,2]=4 152 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br BB_SC-09358 [0,2,0,0,0,0|0,0,2]=4 153 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl BB_SC-10153 [0,2,0,0,0,0|0,0,2]=4 154 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [0,0,1,1,0,0|2,0,0]=4 155 B9R1.13 O=C(O)CC1=CSC=C1 BB_SC-11479 [1,0,0,0,0,1|2,0,0]=4 156 B9R1.13 O=C(O)CN1C=CC=N1 BB_SC-05012 [1,0,0,0,0,1|2,0,0]=4 157 B11R1.75 O=C(O)\C=C/C1=NNC(Br)=N1 BB_SC-10740 [0,0,0,0,0,2|2,0,0]=4 158 B11R1.75 O=C(O)\C=C/C1=NNC(O)=N1 BB_SC-10819 [0,0,0,0,0,2|2,0,0]=4