0 B9R1.23 CC1=C(C)SC(C#N)=N1 C7813 [0,0,0,0,0,0|1,1,1]=3 1 B9R1.23 CC1=C(C)SC(C=O)=N1 D25172 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.23 CC1=CC(CCl)=NN1C C11366 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.23 CC1=CC(CN)=NN1C A11367 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.23 CC1=CC(CO)=NN1C H11365 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.23 CCC1=NC(C)=C(Br)S1 B43293 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.23 CCN1C=C(N)C(C)=N1 A15545 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.23 CCN1C=C(N)C(C)=N1 E61343 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 C#CC1=NC(C)=CS1 E42681 [1,0,0,0,0,0|0,1,2]=4 9 B8R1.1 CC1=CC(CN)=NO1 M15781 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 CC1=CC=C(CN)O1 M37131 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.1 CC1=CC=C(CO)O1 M43304 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,0,0,0,0,0|1,1,1]=4 13 B8R1.1 CC1=CN=C(CO)S1 M41173 [1,0,0,0,0,0|1,1,0]=3 14 B8R1.1 CC1=CNC(C#N)=N1 M40951 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.1 CC1=CSC(C#N)=N1 M8139 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,0,0,0,0,0|1,1,1]=4 19 B8R1.1 CC1=CSC(CN)=N1 M64512 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.1 CC1=NC(CCl)=NO1 C40128 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.1 CC1=NC(CN)=CO1 M41196 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=NC(CN)=CO1 M41310 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=NC=C(CN)O1 M41197 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=NC=C(CO)O1 M37561 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=NN=C(C=O)O1 M36607 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 CC1=NN=C(CCl)S1 M66901 [1,0,0,0,0,0|2,1,0]=4 27 B8R1.1 CC1=NOC(C=O)=N1 M36862 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=NOC(CN)=C1 M41364 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 CCC1=CC(N)=NO1 E41190 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 CCC1=CC=C(C)S1 E43745 [1,0,0,0,0,0|1,1,0]=3 31 B8R1.1 CCC1=CN=C(C)N1 E41428 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 CCC1=NC(C)=CS1 E43395 [1,0,0,0,0,0|0,1,0]=2 33 B8R1.1 CCC1=NN=C(N)O1 A12274 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.1 CCC1=NNC(N)=C1 A9777 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 CCC1=NOC(N)=C1 E41189 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 CCN1C=C(Br)C=N1 B9823 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 CCN1C=C(N)C=N1 A12746 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.1 CN1C=CC(CCl)=N1 C25609 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 CN1C=CC(CN)=N1 M9952 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 CN1C=CC(CO)=N1 M9953 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 CN1C=NC(CCl)=C1 C21803 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.1 CN1C=NC(CCl)=N1 C40197 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 CN1C=NC(CN)=C1 A11226 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.1 CN1C=NC(CN)=C1 A11227 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.1 CN1C=NC(CN)=C1 A29740 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.1 CN1C=NC(CN)=N1 A14790 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.1 CN1C=NC(CN)=N1 M29766 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 CN1C=NC(CO)=C1 M12982 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.1 CN1C=NC(CO)=N1 M14789 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 COC1=NC(Br)=CS1 B2259 [1,0,0,0,0,0|2,1,0]=4 51 B8R1.1 COC1=NC=C(Br)S1 B2563 [1,0,0,0,0,0|2,1,0]=4 52 B8R1.1 CSC1=NC(Br)=CS1 T2262 [1,0,0,0,0,0|2,1,0]=4 53 B8R1.1 NCC1=NC=C(Br)S1 B10574 [1,0,0,0,0,0|2,1,0]=4 54 B8R1.1 NCC1=NC=C(Br)S1 B13057 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.1 OCC1=NC(Br)=CN1 B32450 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.1 OCC1=NC(Br)=CS1 B10817 [1,0,0,0,0,0|2,1,0]=4 58 B8R1.1 OCC1=NC=C(Br)S1 B10575 [1,0,0,0,0,0|2,1,0]=4 59 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [1,0,0,0,0,0|2,1,0]=4 60 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [1,0,0,0,0,0|2,1,0]=4 61 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [1,0,0,0,0,0|2,1,0]=4 62 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [1,0,0,0,0,0|2,1,0]=4 64 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [1,0,0,0,0,0|2,1,0]=4 65 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [1,0,0,0,0,0|2,1,0]=4 66 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [1,0,0,0,0,0|1,1,0]=3 69 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [1,0,0,0,0,0|1,1,0]=3 70 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [1,0,0,0,0,0|1,1,0]=3 71 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [1,0,0,0,0,0|2,1,0]=4 72 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.18 CC1=CC(Br)=NN1C B41126 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.18 CC1=CC(C)=NN1C T41425 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.18 CC1=CC(Cl)=NN1C C41128 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.18 CC1=CC(N)=NN1C D41245 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.18 CC1=CN(C)N=C1I K41134 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [1,0,0,0,0,0|1,1,0]=3 80 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [1,0,0,0,0,0|0,0,0]=1 81 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.18 CC1=NN(C)C=C1Br B12747 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.18 CC1=NN(C)C=C1I K41135 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.18 CC1=NN(C)C=C1N A10473 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.18 CC1=NN(C)C=C1N D41244 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.18 CC1=NN(C)N=C1Br B39014 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.8 CC1=CC(Br)=CC(CN)=N1 B38998 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.8 CC1=CC(Br)=CC(CO)=N1 B46176 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.8 CC1=CC(C)=CC(CBr)=C1 B49967 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.8 CC1=CC(C)=NC(CCl)=N1 C25169 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.8 CC1=CC(C)=NC(CO)=N1 D24164 [0,0,0,0,0,1|2,0,0]=3 96 B10R1.8 CC1=CC(C)=NC(NN)=N1 H62403 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C37487 [0,0,0,0,0,1|3,0,0]=4 98 B10R1.8 CC1=CC(CO)=CC(C)=N1 D3612 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.8 CCC1=CC(C)=CC(O)=C1 E50268 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 C43270 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.8 CCC1=CC(O)=NC(C)=N1 E43643 [0,0,0,0,0,1|2,0,0]=3 102 B10R1.8 CCC1=CC(O)=NC(N)=N1 A43350 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.8 CCC1=NC(Cl)=CC(Cl)=N1 D37576 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.8 CCC1=NC(N)=NC(N)=C1 E41444 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.8 CCC1=NC(O)=CC(O)=N1 E43217 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.8 CNC1=CC(C)=NC(Cl)=N1 C43276 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C43280 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.8 COC1=CC(C)=CC(C)=C1 M50277 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.8 COC1=CC(C)=CC(Cl)=N1 C38224 [0,0,0,0,0,1|3,0,0]=4 110 B10R1.8 COC1=CC(C)=NC(Br)=N1 B43058 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.8 COC1=CC(C)=NC(Cl)=N1 C43073 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.8 COC1=CC(Cl)=NC(C)=N1 C32260 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.8 COC1=NC(=O)C=C(C)N1 M43223 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.8 COC1=NC(C)=CC(Br)=C1 B46171 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.8 COC1=NC(C)=CC(C)=N1 M43634 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.8 COC1=NC(C)=CC(Cl)=C1 C37303 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.8 COC1=NC(C)=CC(N)=C1 M43639 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.8 COC1=NC(C)=NC(C)=C1 M43636 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.8 COC1=NC(C)=NC(N)=C1 M61760 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.8 COC1=NC(N)=CC(C)=N1 M43355 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 C43007 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 C8046 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.8 CSC1=NC(=O)C=C(C)N1 M43259 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 C6191 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.8 CSC1=NC(N)=CC(C)=N1 M43373 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.8 CSC1=NC(O)=NC(C)=C1 M43255 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.176 CC1=C(Br)C=NC(CO)=C1 B46178 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.176 CC1=C(F)C=C(CO)C=N1 F46223 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.176 CC1=C(F)C=CC(CCl)=N1 C19366 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.176 CC1=CC(C#N)=CN=C1C D48779 [0,0,0,0,0,1|2,0,1]=4 133 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.176 CCC1=CC(C)=C(I)C=C1 E49973 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.176 CCC1=NC(C)=C(C)N=C1 E46963 [0,0,0,0,0,1|1,0,0]=2 136 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 B45765 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.176 COC1=CC(Br)=C(C)C=N1 B37321 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.176 COC1=CC(Br)=C(C)N=C1 B13456 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.176 COC1=CC(C)=C(Br)C=N1 B46173 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.176 COC1=CN=C(Br)C(C)=N1 B43057 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C46201 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.176 COC1=NC(C)=C(Br)C=C1 B46158 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.176 COC1=NC(C)=C(Br)C=N1 B43061 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.176 COC1=NC(C)=C(F)C=C1 F46212 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.176 COC1=NC(C)=C(N)C=C1 M46590 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.176 COC1=NC(C)=C(N)C=C1 M69566 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.176 COC1=NC(C)=C(N)C=N1 M39115 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.176 COC1=NC(C)=C(N)N=C1 M43352 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.176 COC1=NC=C(C)C(N)=C1 M43637 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.176 COC1=NC=C(N)C(C)=C1 M43641 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.176 CSC1=NC(C)=C(Br)C=N1 B42984 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.176 CSC1=NC=C(C)C(=O)N1 M43258 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 C43008 [0,0,0,0,0,1|3,0,0]=4 154 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|1,0,0]=3 155 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,1,0,0,0|2,0,0]=4 156 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|1,0,0]=3 157 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,1,0,0,0|2,0,0]=4 158 B7R1.1 BrCC1=NC=CN1 B40117 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.1 CCC1=NC=CN1 E68629 [2,0,0,0,0,0|1,0,0]=3 160 B7R1.1 CCC1=NN=CO1 E37555 [2,0,0,0,0,0|1,0,0]=3 161 B7R1.1 CNC1=NC=CS1 M67793 [2,0,0,0,0,0|1,1,0]=4 162 B7R1.1 COC1=NC=CS1 M2608 [2,0,0,0,0,0|1,1,0]=4 163 B7R1.1 CSC1=NC=CO1 M40164 [2,0,0,0,0,0|1,0,0]=3 164 B7R1.1 ClCC1=NC=CO1 C40107 [2,0,0,0,0,0|1,0,0]=3 165 B7R1.1 NCC1=NC=CN1 A14237 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.1 NCC1=NC=CN1 K40331 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.1 NCC1=NC=CS1 A11223 [2,0,0,0,0,0|1,1,0]=4 168 B7R1.1 NCC1=NC=CS1 T11224 [2,0,0,0,0,0|1,1,0]=4 169 B7R1.1 NCC1=NC=CS1 T24256 [2,0,0,0,0,0|1,1,0]=4 170 B7R1.1 OCC1=NC=CN1 I38716 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.1 OCC1=NC=CO1 X14019 [2,0,0,0,0,0|1,0,0]=3 172 B7R1.1 OCC1=NC=CS1 H3028 [2,0,0,0,0,0|1,1,0]=4 173 B7R1.2 CC1=CC(C)=NO1 D39182 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.2 CC1=CC=C(Br)O1 B41015 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.2 CC1=CC=C(C)S1 D43320 [2,0,0,0,0,0|1,1,0]=4 176 B7R1.2 CC1=CN(C)N=C1 D69464 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.2 CC1=CN=C(Br)S1 B40104 [2,0,0,0,0,0|1,1,0]=4 178 B7R1.2 CC1=CN=C(C)S1 D38993 [2,0,0,0,0,0|0,1,0]=3 179 B7R1.2 CC1=CN=C(Cl)S1 C1978 [2,0,0,0,0,0|1,1,0]=4 180 B7R1.2 CC1=CN=C(N)S1 A69715 [2,0,0,0,0,0|1,1,0]=4 181 B7R1.2 CC1=CN=C(N)S1 M69725 [2,0,0,0,0,0|1,1,0]=4 182 B7R1.2 CC1=CNC(Br)=N1 B40115 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.2 CC1=CNC(C)=N1 D41187 [2,0,0,0,0,0|1,0,0]=3 184 B7R1.2 CC1=CNC(I)=N1 K40123 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.2 CC1=COC(N)=N1 A2053 [2,0,0,0,0,0|1,0,0]=3 186 B7R1.2 CC1=CSC(Br)=N1 B2087 [2,0,0,0,0,0|1,1,0]=4 187 B7R1.2 CC1=CSC(C)=N1 D41174 [2,0,0,0,0,0|0,1,0]=3 188 B7R1.2 CC1=NC(Br)=CN1 B2121 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.2 CC1=NC(Br)=CS1 B2069 [2,0,0,0,0,0|1,1,0]=4 190 B7R1.2 CC1=NC(N)=NO1 M39856 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.2 CC1=NC=C(Br)S1 B5222 [2,0,0,0,0,0|1,1,0]=4 192 B7R1.2 CC1=NC=C(I)N1 K40124 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.2 CC1=NC=C(N)S1 M40189 [2,0,0,0,0,0|1,1,0]=4 194 B7R1.2 CC1=NN(C)C=C1 D4115 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.2 CC1=NN=C(Br)O1 B62443 [2,0,0,0,0,0|2,0,0]=4 196 B7R1.2 CC1=NN=C(C)N1 D0366 [2,0,0,0,0,0|2,0,0]=4 197 B7R1.2 CC1=NN=C(C)O1 D13454 [2,0,0,0,0,0|1,0,0]=3 198 B7R1.2 CC1=NN=C(N)O1 M5216 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.2 CC1=NNC(=O)O1 M39837 [2,0,0,0,0,0|2,0,0]=4 200 B7R1.2 CC1=NNC(=S)O1 M62067 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.2 IC1=COC(I)=N1 D6541 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.4 CC1=C(Br)N=CS1 B61015 [2,0,0,0,0,0|1,1,0]=4 203 B7R1.4 CC1=C(Br)NC=N1 B40116 [2,0,0,0,0,0|2,0,0]=4 204 B7R1.4 CC1=C(Br)SC=N1 B5072 [2,0,0,0,0,0|1,1,0]=4 205 B7R1.4 CC1=C(C)NC=N1 D41358 [2,0,0,0,0,0|1,0,0]=3 206 B7R1.4 CC1=C(C)NC=N1 D43581 [2,0,0,0,0,0|1,0,0]=3 207 B7R1.4 CC1=C(C)SC=N1 D41175 [2,0,0,0,0,0|0,1,0]=3 208 B7R1.4 CC1=C(I)NC=N1 K40125 [2,0,0,0,0,0|2,0,0]=4 209 B7R1.4 CC1=CC=NN1C D3267 [2,0,0,0,0,0|2,0,0]=4 210 B7R1.4 CC1=CNN=C1C D22811 [2,0,0,0,0,0|2,0,0]=4 211 B7R1.4 CC1=CNN=C1C D60965 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.7 CC1=CC=C(CCO)O1 M43716 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [1,1,0,0,0,0|1,1,0]=4 214 B9R1.7 CNCC1=CN(C)C=N1 M16460 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.21 CCN1C=C(CN)C=N1 E41492 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.21 OCC1=CC=C(CO)O1 F69147 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [1,1,0,0,0,0|0,0,1]=3 218 B9R1.35 CC(C)C1=NC(Br)=CS1 B2063 [1,1,0,0,0,0|1,1,0]=4 219 B9R1.35 CC(C)C1=NC=C(Br)S1 B64788 [1,1,0,0,0,0|1,1,0]=4 220 B9R1.35 CC(C)C1=NN=C(N)O1 A12272 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.35 CC1=CN=C(C(=O)[O-])O1 S27747 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [1,1,0,0,0,0|0,1,0]=3 223 B9R1.35 C[C@H](O)C1=CN(C)C=N1 M0652 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.37 CC1=NN(C)C(C)=C1Br B39280 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.37 CC1=NN(C)C(C)=C1N A43436 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.37 CC1=NN(C)C(C)=C1N T41491 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.9 CCC1=CC(Br)=CC(CC)=N1 B50226 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.9 CCC1=CC(OC)=CC(=O)O1 E46842 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.9 CNC1=NC(C)=NC(OC)=N1 M68334 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.9 COC1=CC(C)=NC(SC)=N1 M43685 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.9 COC1=CC(OC)=NC(C)=N1 M43651 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.9 COC1=NC(C)=CC(CCl)=C1 C32334 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.14 COC1=NC(C)=C(Br)C(C)=C1 B28642 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.34 CCNC1=NC(C)=CC(Cl)=N1 C43692 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.34 CCOC1=NC(C)=CC(N)=C1 E46977 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.192 CNCC1=CC(C)=C(C)C=C1 D53119 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.277 CC1=NC(C)=C(C)N=C1CO T28640 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.277 CCC1=NC(C)=C(C)N=C1C E50397 [0,1,0,0,0,1|1,0,0]=3 239 B11R1.279 CCC1=NC(N)=C(CO)C=N1 A43752 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.279 CSC1=NC(C)=C(CO)C=N1 M43686 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.50 CNC1=NC(C)=C(C(C)=O)S1 M43687 [0,2,0,0,0,0|1,1,0]=4 242 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [0,0,1,1,0,0|1,0,1]=4 243 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [1,0,0,0,0,1|2,0,0]=4 244 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [1,0,0,0,0,1|2,0,0]=4 245 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [1,0,0,0,0,1|2,0,0]=4 246 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [1,0,0,0,0,1|2,0,0]=4 247 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [1,0,0,0,0,1|2,0,0]=4 248 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [1,0,0,0,0,1|2,0,0]=4 249 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [1,0,0,0,0,1|2,0,0]=4 250 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [1,0,0,0,0,1|2,0,0]=4 251 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [1,0,0,0,0,1|2,0,0]=4 252 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [1,0,0,0,0,1|2,0,0]=4 253 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [1,0,0,0,0,1|2,0,0]=4 254 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [1,0,0,0,0,1|2,0,0]=4 255 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [1,0,0,0,0,1|2,0,0]=4 256 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [1,0,0,0,0,1|2,0,0]=4 257 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [1,0,0,0,0,1|2,0,0]=4 258 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [1,0,0,0,0,1|2,0,0]=4 259 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [1,0,0,0,0,1|2,0,0]=4 260 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [1,0,0,0,0,1|2,0,0]=4 261 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [1,0,0,0,0,1|2,0,0]=4 262 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [1,0,0,0,0,1|2,0,0]=4 263 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [1,0,0,0,0,1|2,0,0]=4 264 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [1,0,0,0,0,1|2,0,0]=4 265 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [1,0,0,0,0,1|2,0,0]=4 266 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [1,0,0,0,0,1|2,0,0]=4 267 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [1,0,0,0,0,1|2,0,0]=4 268 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [1,0,0,0,0,1|2,0,0]=4 269 B9R1.1 COC1=NC=C(C)C=C1 M67554 [1,0,0,0,0,1|2,0,0]=4 270 B9R1.1 COC1=NN=C(C)C=C1 M43203 [1,0,0,0,0,1|2,0,0]=4 271 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [1,0,0,0,0,1|2,0,0]=4 272 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [1,0,0,0,0,1|2,0,0]=4 273 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [1,0,0,0,0,1|2,0,0]=4 274 B9R1.34 CC1=CC(C)=NC(Br)=N1 B38172 [1,0,0,0,0,1|2,0,0]=4 275 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [1,0,0,0,0,1|1,0,0]=3 276 B9R1.34 CC1=CC(C)=NC(Cl)=N1 C42991 [1,0,0,0,0,1|2,0,0]=4 277 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [1,0,0,0,0,1|2,0,0]=4 278 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [1,0,0,0,0,1|2,0,0]=4 279 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [1,0,0,0,0,1|2,0,0]=4 280 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [1,0,0,0,0,1|2,0,0]=4 281 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [1,0,0,0,0,1|2,0,0]=4 282 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [1,0,0,0,0,1|2,0,0]=4 283 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [1,0,0,0,0,1|2,0,0]=4