0 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.7 CC(=O)C1CCCN1 P37169 [0,0,0,0,0,0|0,0,4]=4 4 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,0,0,0,0,0|0,0,4]=4 5 B8R1.7 CC(=O)C1NCCS1 M15825 [0,0,0,0,0,0|1,0,3]=4 6 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,0,0,0,0,0|0,0,4]=4 7 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,0,0,0,0,0|0,0,4]=4 8 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,0,0,0,0,0|0,0,4]=4 9 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.7 CC(C)N1C=CC=N1 Q67289 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.7 CC(N)C1=CC=NN1 O29815 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.7 CC(N)C1=NC=CS1 P51364 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.7 CC(O)C1=CN=CS1 O32402 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.7 CC(O)C1=CSC=C1 O31068 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 C[C@@H](N)C1=NC=CS1 P51442 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 C[C@H](N)C1=NC=CS1 P51443 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.7 N=C(N)C1=NC=CN1 C-2876 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 N=C(N)C1=NC=CN1 G-5793 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.7 N=C(N)C1=NC=CN1 L13001 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.7 N=C(N)C1=NC=CS1 G-6701 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.7 NC(=O)C1=CN=CS1 O30585 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.7 NC(=O)C1=CNC=N1 M15544 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.7 NC(=O)C1=COC=N1 O34456 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.7 NC(=S)C1=CC=NN1 O30278 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.7 NC(=S)C1=CN=CO1 O30338 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.7 NC(=S)C1=CN=CS1 O30283 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.7 NC(=S)C1=CNC=N1 O30571 [0,0,0,0,0,0|2,1,1]=4 31 B8R1.7 NC(=S)C1=COC=N1 O31656 [0,0,0,0,0,0|2,1,1]=4 32 B8R1.7 NC(=S)C1=CSC=N1 O30629 [0,0,0,0,0,0|2,1,1]=4 33 B8R1.7 O=C(Cl)C1=NC=CS1 O31126 [0,0,0,0,0,0|2,0,1]=3 34 B8R1.7 O=C(O)C1=CC=NS1 P51141 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [0,0,0,0,0,0|3,0,1]=4 37 B8R1.7 O=C(O)C1=COC=N1 I-9284 [0,0,0,0,0,0|2,0,1]=3 38 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.7 O=C(O)C1=NN=NN1 F-4828 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.7 O=C(O)C1=NSC=C1 O30998 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,0,0,0,0,0|2,0,2]=4 46 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,0,0,0,0,0|1,0,2]=3 47 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,0,0,0,0,0|1,0,2]=3 48 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,0,0,0,0,0|2,0,1]=3 49 B8R1.7 O=[N+]([O-])C1=CN=CS1 O31946 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 C#CC1=CN=CN1 O32116 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 C(=O)C1=CN=CS1 Q52103 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 C=CC1=CN=CN1 O30402 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.1 C=CC1=NNC=C1 L18271 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.1 COC1=NNC=C1 Q61554 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 CSC1=CC=CS1 Q67758 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.1 ClCC1=CC=CS1 G-5616 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 N#CC1=CC=CN1 G-6648 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 N#CC1=NC=CN1 C-2923 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 N#CC1=NC=CN1 C-2923-01 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 NCC1=CC=NN1 O30495 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 NCC1=CN=CN1 L14627 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 O=CC1=CCCC1 O33977 [1,0,0,0,0,0|1,0,2]=4 63 B7R1.1 O=CC1=CCCO1 O29864 [1,0,0,0,0,0|1,0,2]=4 64 B7R1.1 O=CC1=CN=CO1 I-9061 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 O=CC1=CNN=C1 C-2878 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 O=CC1=CNN=C1 G-5044 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 O=CC1=COC=N1 K12239 [1,0,0,0,0,0|1,0,1]=3 68 B7R1.1 O=CC1=CSC=N1 Q68013 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 O=CC1=NNC=C1 O31194 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 OCC1=CN=CN1 O33324 [1,0,0,0,0,0|1,0,2]=4 71 B7R1.1 OCC1=NC=CN1 Q65640 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.11 CNC(=O)C1=CNN=C1 L21508 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.11 CNC(=O)N1C=CN=C1 F-4391 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.11 COC(=O)C1=CN=CO1 O30359 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.11 COC(=O)C1=CN=CS1 P48087 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.11 COC(=O)C1=CNN=C1 G-7338 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.11 COC(=O)C1=NC=CN1 G-6057 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.11 COC(=O)C1=NC=CS1 P37422 [0,1,0,0,0,0|1,0,1]=3 80 B9R1.11 COC(=O)C1=NNC=C1 P40994 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.11 NC(CO)C1=CC=CO1 P39130 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.11 NCC(O)C1=CC=CO1 P39131 [0,1,0,0,0,0|1,0,2]=4 83 B9R1.11 NNC(=O)C1=CN=CO1 P43186 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 NNC(=O)C1=CN=CS1 O30333 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.11 NNC(=O)C1=COC=N1 O30605 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.11 NNC(=O)C1=CSC=N1 O31923 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.11 NNC(=O)C1=NC=CS1 O31112 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.11 O=C(CBr)C1=CC=CS1 P43533 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.11 O=C(CBr)C1=CSC=C1 O31908 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.11 O=C(CBr)C1=CSC=N1 O31047 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.11 O=C(CBr)C1=NC=CS1 O31894 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.11 O=CC(=O)C1=CC=CS1 P41441 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.11 OC[C@@H](O)C1=CC=CO1 P51763 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.19 CC(C)(C)C1=NC=CN1 C-2891 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.19 CS(=O)(=O)C1=NNC=C1 Q64204 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.35 CC(=O)C1=NC(Br)=CS1 Q68164 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.35 CC(=O)C1=NC=C(Br)S1 I-9633 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,1,0,0,0,0|1,0,1]=3 105 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,1,0,0,0,0|1,0,1]=3 106 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.35 CC1=CNC(C(C)C)=N1 P51555 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.35 CN(C)C1=CC(N)=NN1 I-9543 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 I-9085 [0,1,0,0,0,0|1,0,2]=4 121 B9R1.35 NC(=O)C1=CC=C(Br)N1 G-6434 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.35 NC(=O)C1=CN=C(Br)S1 P35827 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 NC1=CN=C(C(=O)O)S1 G-5065 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.35 NC1=NC(C(=O)O)=CO1 G-7158 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.35 NC1=NC(C(=O)O)=CS1 O30841 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.35 NC1=NNC([N+](=O)[O-])=C1 Q52573 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 NC1=NNC([N+](=O)[O-])=C1 Q52574 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.35 O=C(O)C1=CC(Br)=NN1 H-8098 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.35 O=C(O)C1=CN=C(Cl)S1 O31901 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 O=C(O)C1=COC(Cl)=N1 O30387 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.35 O=C(O)C1=NC(Br)=CS1 G-6045 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.35 O=C(O)C1=NC=C(Br)S1 I-9912 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.35 O=C(O)C1=NC=C(Cl)S1 I-9904 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.35 O=C(O)C1=NNC(Br)=C1 H-8089 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.35 O=C(O)C1=NNC(Cl)=C1 O34355 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.35 O=C(O)C1=NNC(F)=C1 Q52440 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.35 O=C1C=C(C(=O)O)CC1 O30224 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.35 O=C1NC=C(C(=O)O)N1 O34427 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.35 O=[N+]([O-])C1=CC(F)=NN1 Q61549 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.41 CC(=O)C1=C(Br)C=CS1 Q65588 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.41 CC(=O)C1=CC=NN1C N24556 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.41 CC(=O)C1=NC=CN1C C-2913 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.41 CC1=C(C(=O)Cl)SC=N1 F-4290 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.41 CC1=C(C(=O)O)NC=N1 L20560 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.41 CC1=CSC=C1C(=O)O L22411 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.41 CN1C=CN=C1C(=N)N C-2875 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.41 CN1C=CN=C1[N+](=O)[O-] Q69384 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.41 CN1C=NC=C1C(=O)O G-7569 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.41 CN1N=CC=C1C(=O)Cl O30448 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.41 CN1N=CC=C1C(=O)O G-5544 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.41 NC(=O)C1=CC=CN1N L13700 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.41 NC(=O)C1=CN=CN1N P48834 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.41 O=C(O)C1=C(Br)N=CN1 H-8119 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.41 O=C(O)C1=C(Br)N=CS1 Q68781 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.41 O=C(O)C1=C(Br)SC=N1 O34437 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.41 O=C(O)C1=NNC=C1F Q64164 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.41 O=[N+]([O-])C1=C(Br)C=NN1 L13528 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,0,1,0,0,0|1,0,2]=4 169 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,0,1,0,0,0|1,0,2]=4 170 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,0,1,0,0,0|1,0,2]=4 171 B9R2.2 C1=CNC(C2CC2)=N1 C-2889 [0,0,0,1,0,0|2,0,1]=4 172 B9R2.7 O=C1CC2CC=CC12 Q56018 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,0,0,0,1,0|1,0,2]=4 174 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,0,1|0,0,1]=2 175 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,0,0,0,0,1|1,0,1]=3 176 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [0,0,0,0,0,1|1,0,1]=3 177 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,0,0,0,0,1|0,0,1]=2 178 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,0,0,0,0,1|0,0,1]=2 179 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,0,0,0,0,1|0,0,1]=2 180 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [0,0,0,0,0,1|1,0,2]=4 181 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,0,0,0,0,1|2,0,1]=4 182 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [0,0,0,0,0,1|1,0,2]=4 183 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,0,0,0,0,1|1,0,2]=4 184 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [0,0,0,0,0,1|1,0,2]=4 185 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,0,0,0,0,1|1,0,1]=3 186 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,0,0,0,0,1|2,0,1]=4 187 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,0,0,0,0,1|1,0,2]=4 188 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [0,0,0,0,0,1|1,0,2]=4 189 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [0,0,0,0,0,1|1,0,2]=4 190 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [0,0,0,0,0,1|1,0,2]=4 191 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,0,0,0,0,1|2,0,1]=4 192 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [0,0,0,0,0,1|1,0,1]=3 193 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,0,0,0,0,1|1,0,1]=3 194 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,0,0,0,0,1|1,0,1]=3 195 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,0,0,0,0,1|2,0,1]=4 196 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,0,0,0,0,1|1,0,1]=3 197 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,0,0,0,0,1|2,0,1]=4 198 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,0,0,0,0,1|1,0,1]=3 199 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [0,0,0,0,0,1|2,0,1]=4 200 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [0,0,0,0,0,1|2,0,1]=4 202 B9R1.13 CC(C)SC1=CN=CN1 O32082 [0,0,0,0,0,1|2,0,1]=4 203 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [0,0,0,0,0,1|2,0,0]=3 205 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [0,0,0,0,0,1|2,0,1]=4 206 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [0,0,0,0,0,1|2,0,1]=4 207 B9R1.13 O=C(O)CC1=NC=NN1 Q56325 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [0,0,0,0,0,1|2,0,1]=4 209 B6R1.2 BrC1=CC=CO1 P37236 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 BrC1=CC=NN1 G-7014 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 BrC1=NC=CN1 P40717 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 CC1=CNC=C1 L13609 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 CC1=COC=C1 10706 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 CC1=COC=N1 M15472 [2,0,0,0,0,0|1,0,1]=4 215 B6R1.2 CN1C=CC=N1 G-7493 [2,0,0,0,0,0|1,0,1]=4 216 B6R1.2 ClC1=CC=NN1 I-9279 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.2 ClC1=NC=CN1 O34261 [2,0,0,0,0,0|2,0,0]=4 218 B6R1.2 FC1=CC=NN1 L13110 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 FC1=CN=CN1 L22294 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 IC1=NC=CN1 P38939 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 NC1=CC=NN1 A-809 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 NC1=NC=CN1 I-9868 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 O=C1C=CSN1 K10928 [2,0,0,0,0,0|1,0,0]=3 224 B6R1.2 S=C1NC=CO1 L19666 [2,0,0,0,0,0|1,1,0]=4 225 B8R1.1 C(=O)C1=CN=C(C)N1 F-4064 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.1 CC1=CC(C=O)=CS1 L14285 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.1 CC1=NC(C=O)=CO1 O30450 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.1 CC1=NC(C=O)=CS1 O30852 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.1 CC1=NC=C(C=O)S1 O31139 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 CCC1=NC(Br)=CN1 K12066 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.1 CN1C=CC(C=O)=N1 O31801 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.1 CN1C=NC(C=O)=C1 G-6087 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.1 COC1=CC(N)=NN1 C-3466 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.1 COC1=CC(N)=NN1 Q52443 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.1 CSC1=CC(Br)=CS1 N26878 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.1 CSC1=CC(C)=CS1 N26956 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 CSC1=CC=C(Br)S1 Q67761 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 NC1=NC=C(C=O)S1 P43544 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.1 O=CC1=CC(Br)=NN1 Q52203 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.1 O=CC1=CC(Cl)=CS1 O30331 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.1 O=CC1=CC(I)=CN1 O30775 [1,1,0,0,0,0|0,0,0]=2 243 B8R1.1 O=CC1=CC=C(Cl)S1 G-5619 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.1 O=CC1=CN=C(Br)S1 Q67553 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.1 O=CC1=CN=C(Cl)S1 S70888 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 O=CC1=CSC(Br)=C1 L22211 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.1 O=CC1=CSC(Cl)=C1 G-5623 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.1 O=CC1=CSC(Cl)=N1 O31704 [1,1,0,0,0,0|1,0,1]=4 249 B8R1.1 O=CC1=NC(Br)=CS1 Q68032 [1,1,0,0,0,0|1,0,1]=4 250 B8R1.1 O=CC1=NC=C(Br)S1 G-5715 [1,1,0,0,0,0|1,0,1]=4 251 B8R1.1 O=CC1=NC=C(Cl)S1 G-5979 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.8 CNCC1=CC=CO1 K10906 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.8 COCC1=CC=CS1 N26844 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.8 ClCCC1=CC=NN1 Q61921 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.8 NCCC1=CC=CO1 O34064 [1,1,0,0,0,0|1,0,1]=4 256 B8R1.8 O=CCN1C=CC=N1 S72479 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.8 OCCC1=CC=CS1 I-9194 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.8 OCCC1=CN=CN1 G-7568 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.11 C(=O)C1=CN=CN1C F-4022 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.11 CC1=C(C=O)C=CS1 O30366 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.11 CC1=CNN=C1C=O Q60308 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.11 CC1=CSC=C1C=O L14435 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.11 CN1C=CN=C1C=O Q67822 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.11 CNC1=NC=CN1C H-8117 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.11 CNC1=NC=CN1C H-8117-01 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.11 COC1=CC=NN1C Q69571 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.11 CSC1=C(Br)C=CS1 N26856 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.11 N#CC1=CC=CN1N G-5646 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.11 N#CC1=CC=CN1N Q54648 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.11 O=CC1=C(Br)C=CS1 Q66577 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.11 O=CC1=C(Br)N=CS1 N26350 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.11 O=CC1=CSC=C1Br Q67166 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,0,1,0|0,0,2]=4 274 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,1,0,0,0,1|0,0,1]=3 275 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,1,0,0,0,1|0,0,1]=3 276 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,1,0,0,0,1|0,0,1]=3 277 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,1,0,0,0,1|1,0,1]=4 278 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 Q54991 [0,1,0,0,0,1|1,0,1]=4 279 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,1,0,0,0,1|0,0,1]=3 280 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,1,0,0,0,1|0,0,1]=3 281 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 G-7164 [0,1,0,0,0,1|0,0,1]=3 282 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,1,0,0,0,1|0,0,1]=3 283 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [0,1,0,0,0,1|0,0,1]=3 284 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,1,0,0,0,1|0,0,1]=3 285 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,1,0,0,0,1|0,0,1]=3 286 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,1,0,0,0,1|0,0,1]=3 287 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,1,0,0,0,1|0,0,1]=3 288 B10R1.13 CC(=O)C1=NC=C(F)C=N1 O30210 [0,1,0,0,0,1|0,0,1]=3 289 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 L13130 [0,1,0,0,0,1|0,0,1]=3 290 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [0,1,0,0,0,1|0,0,1]=3 291 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,1,0,0,0,1|1,0,1]=4 292 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [0,1,0,0,0,1|1,0,1]=4 293 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,1,0,0,0,1|1,0,1]=4 294 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,1,0,0,0,1|1,0,1]=4 295 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,1,0,0,0,1|1,0,1]=4 296 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,1,0,0,0,1|1,0,1]=4 297 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,1,0,0,0,1|1,0,1]=4 298 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,1,0,0,0,1|1,0,1]=4 299 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 O31863 [0,1,0,0,0,1|1,0,1]=4 300 B10R1.13 NC(=O)C1=NN=C(N)C=C1 G-7026 [0,1,0,0,0,1|1,0,1]=4 301 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,1,0,0,0,1|1,0,1]=4 302 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,1,0,0,0,1|1,0,1]=4 303 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [0,1,0,0,0,1|1,0,1]=4 304 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,1,0,0,0,1|1,0,1]=4 305 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,1,0,0,0,1|1,0,1]=4 306 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,1,0,0,0,1|1,0,1]=4 307 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,1,0,0,0,1|1,0,1]=4 308 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,1,0,0,0,1|1,0,1]=4 309 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,1,0,0,0,1|1,0,1]=4 310 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,1,0,0,0,1|1,0,1]=4 311 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [0,1,0,0,0,1|1,0,1]=4 312 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,1,0,0,0,1|1,0,1]=4 313 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,1,0,0,0,1|1,0,1]=4 314 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [0,1,0,0,0,1|1,0,1]=4 315 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,1,0,0,0,1|1,0,1]=4 316 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,1,0,0,0,1|1,0,1]=4 317 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,1,0,0,0,1|1,0,1]=4 318 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,1,0,0,0,1|1,0,1]=4 319 B10R1.15 C=CC(=O)C1=CC=CC=N1 Q52779 [0,1,0,0,0,1|0,0,2]=4 320 B10R1.15 C=CC(=O)C1=CC=CN=C1 Q52778 [0,1,0,0,0,1|0,0,2]=4 321 B10R1.15 C=CC(=O)C1=CC=NC=C1 Q52777 [0,1,0,0,0,1|1,0,1]=4 322 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,1,0,0,0,1|0,0,1]=3 323 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,1,0,0,0,1|0,0,1]=3 325 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [0,1,0,0,0,1|0,0,1]=3 326 B10R1.15 COC(=O)C1=CC=NC=N1 C-2227 [0,1,0,0,0,1|0,0,1]=3 327 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [0,1,0,0,0,1|1,0,1]=4 328 B10R1.15 COC(=O)C1=NC=CC=N1 C-3283 [0,1,0,0,0,1|0,0,1]=3 329 B10R1.15 COC(=O)[C@@H]1CC=CCN1 Q56720 [0,1,0,0,0,1|0,0,2]=4 330 B10R1.15 NNC(=O)C1=NC=NC=C1 O30565 [0,1,0,0,0,1|1,0,1]=4 331 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [0,1,0,0,0,1|0,0,1]=3 332 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [0,1,0,0,0,1|0,0,1]=3 333 B10R1.15 O=C(CBr)C1=CN=CN=C1 Q54899 [0,1,0,0,0,1|1,0,1]=4 334 B10R1.15 O=C(CBr)C1=NC=CC=N1 L22105 [0,1,0,0,0,1|0,0,1]=3 335 B10R1.15 O=C(CBr)C1=NC=CC=N1 Q52568 [0,1,0,0,0,1|0,0,1]=3 336 B10R1.15 O=C(CBr)C1=NC=NC=C1 P51516 [0,1,0,0,0,1|0,0,1]=3 337 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [0,1,0,0,0,1|0,0,1]=3 338 B10R1.15 O=C(CCl)C1=NC=CN=C1 L19661 [0,1,0,0,0,1|0,0,1]=3 339 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [0,1,0,0,0,1|1,0,0]=3 340 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [0,1,0,0,0,1|0,0,1]=3 341 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [0,1,0,0,0,1|0,0,1]=3 342 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [0,1,0,0,0,1|0,0,1]=3 343 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [0,1,0,0,0,1|0,0,1]=3 344 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [0,1,0,0,0,1|0,0,1]=3 345 B10R1.61 CC(=O)C1=CN=CN=C1C Q58769 [0,1,0,0,0,1|1,0,1]=4 346 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [0,1,0,0,0,1|0,0,1]=3 347 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [0,1,0,0,0,1|0,0,1]=3 348 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,1,0,0,0,1|0,0,1]=3 349 B10R1.61 CC(=O)C1=NC=CN=C1Cl G-7946 [0,1,0,0,0,1|0,0,1]=3 350 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.61 CC1=C(C(=O)O)N=NC=C1 L13035 [0,1,0,0,0,1|1,0,1]=4 352 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [0,1,0,0,0,1|1,0,1]=4 353 B10R1.61 CC1=CN=CN=C1C(=O)O O33331 [0,1,0,0,0,1|1,0,1]=4 354 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [0,1,0,0,0,1|1,0,1]=4 355 B10R1.61 CC1=NC=CN=C1C(=O)O G-5660 [0,1,0,0,0,1|1,0,1]=4 356 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 N25046 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [0,1,0,0,0,1|1,0,1]=4 358 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [0,1,0,0,0,1|1,0,1]=4 359 B10R1.61 NC(=O)C1=CC=NC=C1N O34515 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.61 NC(=O)C1=NC=CC=C1N C-3697 [0,1,0,0,0,1|1,0,1]=4 361 B10R1.61 NC1=C(C(=O)O)C=CN=C1 G-6779 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [0,1,0,0,0,1|1,0,1]=4 363 B10R1.61 NC1=C(C(=O)O)N=CN=C1 Q57220 [0,1,0,0,0,1|1,0,1]=4 364 B10R1.61 NC1=CC=CN=C1C(=O)O C-3331 [0,1,0,0,0,1|1,0,1]=4 365 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [0,1,0,0,0,1|1,0,1]=4 366 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [0,1,0,0,0,1|1,0,1]=4 367 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [0,1,0,0,0,1|1,0,1]=4 368 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 G-5495 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 H-8359 [0,1,0,0,0,1|1,0,1]=4 370 B10R1.61 O=C(O)C1=C(F)C=NC=C1 G-7559 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.61 O=C(O)C1=C(I)C=NC=C1 O31943 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [0,1,0,0,0,1|1,0,1]=4 373 B10R1.61 O=C(O)C1=CN=CNC1=O H-8379 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.61 O=C(O)C1=NC=CC=C1F H-8045 [0,1,0,0,0,1|1,0,1]=4 375 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [0,1,0,0,0,1|1,0,1]=4 376 B10R1.61 O=C(O)C1=NC=CN=C1Br S70901 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.61 O=C(O)C1=NC=CN=C1Cl G-5403 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.61 O=C(O)C1=NC=CN=C1I O29988 [0,1,0,0,0,1|1,0,1]=4 379 B10R1.61 O=C(O)C1=NC=CN=C1O C-3727 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.61 O=C(O)C1=NC=NC=C1Cl P51523 [0,1,0,0,0,1|1,0,1]=4 381 B10R1.61 O=C(O)C1=NC=NC=C1F O33158 [0,1,0,0,0,1|1,0,1]=4 382 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.113 CC(=O)C1=CC(C)=NC=N1 M15580 [0,1,0,0,0,1|0,0,1]=3 385 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,1,0,0,0,1|0,0,1]=3 386 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,1,0,0,0,1|0,0,1]=3 388 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,1,0,0,0,1|0,0,1]=3 389 B10R1.113 CC(=O)C1=NC=CC(C)=N1 Q65344 [0,1,0,0,0,1|0,0,1]=3 390 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,1,0,0,0,1|0,0,1]=3 391 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [0,1,0,0,0,1|1,0,1]=4 392 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [0,1,0,0,0,1|1,0,1]=4 393 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [0,1,0,0,0,1|1,0,1]=4 394 B10R1.113 CC1=NC(C(=O)O)=NC=C1 L14301 [0,1,0,0,0,1|1,0,1]=4 395 B10R1.113 CC1=NC=NC(C(=O)O)=C1 I-9646 [0,1,0,0,0,1|1,0,1]=4 396 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [0,1,0,0,0,1|1,0,1]=4 397 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [0,1,0,0,0,1|1,0,1]=4 398 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [0,1,0,0,0,1|1,0,1]=4 399 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 O30750 [0,1,0,0,0,1|1,0,1]=4 401 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 G-6824 [0,1,0,0,0,1|1,0,1]=4 402 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [0,1,0,0,0,1|1,0,1]=4 403 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.113 NC1=NC=CC(C(=O)O)=N1 O31660 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [0,1,0,0,0,1|1,0,1]=4 406 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 O30825 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 G-6966 [0,1,0,0,0,1|1,0,1]=4 409 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [0,1,0,0,0,1|1,0,1]=4 410 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [0,1,0,0,0,1|1,0,1]=4 411 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C-2323 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 O30875 [0,1,0,0,0,1|1,0,1]=4 416 B10R1.113 O=C(O)C1=NC(O)=NC=C1 O30222 [0,1,0,0,0,1|1,0,1]=4 417 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [0,1,0,0,0,1|1,0,1]=4 419 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.113 O=C1C=C(C(=O)O)NC=N1 Q57219 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.23 NC(C(=O)O)C1=CC=CS1 O28791 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 G-7084 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 P36827 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.27 COC(=O)CC1=CNC=N1 K13414 [0,1,0,0,0,1|1,0,1]=4 426 B10R1.54 CC(=O)NC1=NC=C(Br)S1 O30838 [0,1,0,0,0,1|1,0,1]=4 427 B10R1.54 CC(=O)OC1=CC(=O)CC1 H-8116 [0,1,0,0,0,1|1,0,1]=4 428 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 L13760 [0,1,0,0,0,1|1,0,1]=4 429 B10R1.54 CC1=NNC(\N=C(/C)Cl)=C1 L13769 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.54 O=C(O)CC1=CC(=O)NN1 F-4542 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.54 O=C(O)CC1=CC=C(Br)S1 O31012 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.54 O=C(O)CC1=NC=C(O)N1 F-4532 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.64 CN1N=CC=C1CC(=O)O O32188 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.11 CCOC(=O)C1=CC=NN1 C-3655 [0,2,0,0,0,0|1,0,0]=3 435 B10R1.11 CCOC(=O)C1=CN=CO1 G-7649 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.11 CCOC(=O)C1=CN=CS1 A-893 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.11 CCOC(=O)C1=CNC=N1 P39470 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.11 CCOC(=O)C1=COC=N1 G-6096 [0,2,0,0,0,0|1,0,1]=4 439 B10R1.11 CCOC(=O)C1=NC=CS1 O31759 [0,2,0,0,0,0|1,0,1]=4 440 B10R1.11 CCOC(=O)C1=NOC=C1 G-5148 [0,2,0,0,0,0|1,0,1]=4 441 B10R1.11 N#CCC(=O)C1=CC=CO1 P38856 [0,2,0,0,0,0|1,0,0]=3 442 B10R1.11 N#CCC(=O)C1=CC=CS1 P38721 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.11 N#CCC(=O)C1=CSC=C1 P36553 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.14 CC1=CC=C(C(=O)NN)O1 O31675 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.14 CNC(=O)C1=COC(N)=N1 L18604 [0,2,0,0,0,0|1,0,1]=4 446 B10R1.14 CNC(=O)C1=CSC(Br)=N1 P42699 [0,2,0,0,0,0|1,0,1]=4 447 B10R1.14 COC(=O)C1=CC(=O)CC1 O31344 [0,2,0,0,0,0|1,0,1]=4 448 B10R1.14 COC(=O)C1=CC(Br)=CS1 G-5587 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.14 COC(=O)C1=CC(Br)=NO1 M15728 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.14 COC(=O)C1=CC(Cl)=CN1 Q53057 [0,2,0,0,0,0|0,0,0]=2 451 B10R1.14 COC(=O)C1=CC(Cl)=CS1 L22458 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.14 COC(=O)C1=CC(N)=NN1 A-899 [0,2,0,0,0,0|1,0,0]=3 453 B10R1.14 COC(=O)C1=CC=C(Br)N1 O30342 [0,2,0,0,0,0|0,0,0]=2 454 B10R1.14 COC(=O)C1=CC=C(Br)S1 G-5588 [0,2,0,0,0,0|1,0,0]=3 455 B10R1.14 COC(=O)C1=CC=C(N)O1 G-7080 [0,2,0,0,0,0|1,0,0]=3 456 B10R1.14 COC(=O)C1=CN(C)C=N1 O30861 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.14 COC(=O)C1=CN=C(Cl)O1 O30866 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.14 COC(=O)C1=CN=C(N)O1 O30786 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.14 COC(=O)C1=CNC(Br)=C1 A-983 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.14 COC(=O)C1=COC(Br)=N1 O31619 [0,2,0,0,0,0|1,0,1]=4 461 B10R1.14 COC(=O)C1=COC(N)=N1 Q54663 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.14 COC(=O)C1=CSC(C)=N1 O34523 [0,2,0,0,0,0|1,0,1]=4 463 B10R1.14 COC(=O)C1=CSC(Cl)=C1 G-6180 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.14 COC(=O)C1=NC(Br)=CS1 G-7043 [0,2,0,0,0,0|1,0,1]=4 465 B10R1.14 COC(=O)C1=NC=C(Br)S1 I-9906 [0,2,0,0,0,0|1,0,1]=4 466 B10R1.14 COC(=O)C1=NC=C(C)O1 L13687 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.14 COC(=O)C1=NN(C)C=C1 K12251 [0,2,0,0,0,0|1,0,1]=4 468 B10R1.14 COC(=O)C1=NNC(Cl)=C1 L21402 [0,2,0,0,0,0|1,0,1]=4 469 B10R1.14 COC(=O)C1=NNC(I)=C1 I-9421 [0,2,0,0,0,0|1,0,1]=4 470 B10R1.149 CCC(=O)C1=C(C)SC=C1 O29626 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.149 COC(=O)C1=C(Br)C=CN1 G-6702 [0,2,0,0,0,0|0,0,0]=2 472 B10R1.149 COC(=O)C1=C(Br)N=CN1 H-8118 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.149 COC(=O)C1=C(Br)N=CS1 Q68782 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.149 COC(=O)C1=C(C)C=CN1 G-7400 [0,2,0,0,0,0|0,0,0]=2 475 B10R1.149 COC(=O)C1=C(C)OC=N1 O30830 [0,2,0,0,0,0|1,0,1]=4 476 B10R1.149 COC(=O)C1=C(Cl)C=CN1 G-6436 [0,2,0,0,0,0|0,0,0]=2 477 B10R1.149 COC(=O)C1=C(N)C=CO1 I-9332 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.149 COC(=O)C1=C(N)C=CO1 L14050 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.149 COC(=O)C1=C(N)N=CS1 O30619 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.149 COC(=O)C1=CC=NN1C I-9204 [0,2,0,0,0,0|1,0,0]=3 481 B10R1.149 COC(=O)C1=CN=CN1C G-6275 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.149 COC(=O)C1=CNC=C1C L22330 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.149 COC(=O)C1=CSC=C1Br O34448 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.149 COC(=O)C1=CSC=C1C N26170 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.149 COC(=O)C1=CSC=C1N Q52828 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.149 COC(=O)C1=NNC=C1Br O30681 [0,2,0,0,0,0|1,0,1]=4 487 B10R1.149 COC(=O)C1=NNC=C1F F-4791 [0,2,0,0,0,0|1,0,1]=4 488 B10R1.149 COC(=O)C1=NNC=C1N G-5583 [0,2,0,0,0,0|1,0,1]=4 489 B10R1.31 CCC1=CC=C(C(=O)O)S1 Q68130 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.31 N#CC1=CC=C(C(=O)O)O1 Q69824 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.31 N#CC1=CC=C([N+](=O)[O-])N1 O31658 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.31 O=CC1=CC=C(C(=O)O)S1 O31938 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 L19302 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 O30383 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.59 CC(=O)C1=NN(C)C=C1Cl K12253 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 F-4528 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.59 CN1N=C(Br)C=C1C(=O)O H-8430 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.59 CN1N=C(Cl)C=C1C(=O)O G-6869 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.59 NC(=O)C1=C(N)C=C(Br)S1 Q63313 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 Q67324 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.194 CC(=O)C1=CSC(Cl)=C1Cl L19589 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.194 CC1=C(C(=O)O)SC=C1Br Q65603 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.194 CC1=CNC(C(=O)O)=C1C C-3353 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.194 CC1=NC=C(C(=O)O)N1C A-863 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.194 CN1C(Br)=CC=C1C(=O)O O30276 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 Q70074 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.39 CCC1=C(C(=O)O)NC=N1 L20516 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.39 CCN1C=NC=C1C(=O)O H-8144 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.192 CN1N=CC(I)=C1C(=O)O O30724 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.4 CC1=CN=CC(N)=C1 S70885 [0,0,1,1,0,0|2,0,0]=4 512 B8R1.4 CC1=CN=CC(N)=N1 O31827 [0,0,1,1,0,0|2,0,0]=4 513 B8R1.4 CC1=NC=CC(N)=N1 O30572 [0,0,1,1,0,0|2,0,0]=4 514 B8R1.4 CC1=NC=CC(N)=N1 O30672 [0,0,1,1,0,0|2,0,0]=4 515 B8R1.4 NC1=CC(=O)NC=C1 C-3231 [0,0,1,1,0,0|1,0,1]=4 516 B8R1.4 NC1=NC(Cl)=CC=C1 G-5936 [0,0,1,1,0,0|2,0,0]=4 517 B8R1.4 NC1=NC(O)=CC=C1 Q68106 [0,0,1,1,0,0|1,0,1]=4 518 B8R1.4 O=C1C=CC=C(F)N1 F-4400 [0,0,1,1,0,0|2,0,0]=4 519 B8R1.4 O=C1C=CC=C(I)N1 Q69521 [0,0,1,1,0,0|2,0,0]=4 520 B8R1.5 CC1=C(N)C=NC=N1 L13550 [0,0,1,1,0,0|2,0,0]=4 521 B8R1.5 CC1=C(N)N=CC=N1 Q56445 [0,0,1,1,0,0|2,0,0]=4 522 B8R1.5 CC1=CC=CN=C1C Q57216 [0,0,1,1,0,0|2,0,0]=4 523 B8R1.5 CC1=NC=CC=C1Br G-6792 [0,0,1,1,0,0|2,0,0]=4 524 B8R1.5 CC1=NC=CC=C1O G-6807 [0,0,1,1,0,0|2,0,0]=4 525 B8R1.5 NC1=CC=CN=C1F P40871 [0,0,1,1,0,0|2,0,0]=4 526 B8R1.5 NC1=CC=CN=C1O C-3656 [0,0,1,1,0,0|1,0,1]=4 527 B8R1.5 NC1=CC=CNC1=S M15558 [0,0,1,1,0,0|1,1,0]=4 528 B8R1.5 O=C1OC=CC=C1O M15566 [0,0,1,1,0,0|2,0,0]=4 529 B10R2.2 CC1=NN2C=CNC2=C1 L19977 [0,0,0,1,0,1|2,0,0]=4 530 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [1,0,0,0,0,1|1,0,1]=4 531 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [1,0,0,0,0,1|0,0,1]=3 532 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [1,0,0,0,0,1|1,0,1]=4 533 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [1,0,0,0,0,1|0,0,1]=3 534 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [1,0,0,0,0,1|0,0,1]=3 535 B8R1.2 C=CC1=CC=CN=C1 O30687 [1,0,0,0,0,1|0,0,2]=4 536 B8R1.2 CNC1=CC=NC=N1 Q58573 [1,0,0,0,0,1|1,0,1]=4 537 B8R1.2 CNC1=NN=CC=C1 O29994 [1,0,0,0,0,1|1,0,1]=4 538 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,0,2|0,0,1]=3 539 B10R1.18 CC(=O)NC1=NC=NC=C1 O29559 [0,0,0,0,0,2|0,0,1]=3 540 B10R1.18 O=C(O)CC1=CC=NC=N1 Q51816 [0,0,0,0,0,2|1,0,1]=4 541 B10R1.18 O=C(O)CC1=NC=CC=N1 G-5171 [0,0,0,0,0,2|1,0,1]=4 542 B10R1.18 O=C([O-])CC1=NC=CC=N1 Q51814 [0,0,0,0,0,2|1,0,1]=4 543 B10R1.18 O=C([O-])CC1=NN=CC=C1 L13418 [0,0,0,0,0,2|1,0,1]=4 544 B10R1.66 CC(=O)CCC1=NC=CS1 L20139 [0,0,0,0,0,2|1,0,1]=4 545 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [0,0,0,0,0,2|2,0,0]=4