0 B7R1.1 BrCC1=CNC=N1 O32596 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 BrCC1=CNC=N1 O32597 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 BrCC1=COC=C1 O29970 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 BrCC1=CSC=C1 Q68601 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 BrCC1=NC=CS1 O30113 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.1 BrCC1=NC=NO1 L19388 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 C#CC1=CN=CN1 O32116 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 C(=O)C1=CN=CS1 Q52103 [0,0,0,0,0,0|1,1,0]=2 8 B7R1.1 C=CC1=CN=CN1 O30402 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 C=CC1=NNC=C1 L18271 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 COC1=NNC=C1 Q61554 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CSC1=CC=CS1 Q67758 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.1 ClCC1=CC=CS1 G-5616 [0,0,0,0,0,0|1,1,1]=3 13 B7R1.1 ClCC1=CN=CS1 O30160 [0,0,0,0,0,0|2,1,1]=4 14 B7R1.1 ClCC1=CN=CS1 O31671 [0,0,0,0,0,0|2,1,1]=4 15 B7R1.1 ClCC1=NC=CS1 A-634 [0,0,0,0,0,0|2,1,1]=4 16 B7R1.1 ClCN1C=CC=N1 O29520 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.1 N#CC1=CC=CN1 G-6648 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.1 N#CC1=COC=N1 G-6100 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=NC=CN1 C-2923 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 N#CC1=NC=CN1 C-2923-01 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 N#CC1=NNC=C1 O30815 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 N#CC1=NOC=C1 L18133 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 N#CC1=NSC=C1 O29849 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 NCC1=CC=NN1 O30495 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 NCC1=CN=CN1 L14627 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 NCC1=CN=CO1 L14202 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.1 NCC1=CN=CS1 G-7859 [0,0,0,0,0,0|2,1,1]=4 28 B7R1.1 NCC1=CN=CS1 L18064 [0,0,0,0,0,0|2,1,1]=4 29 B7R1.1 NCC1=CN=CS1 O30515 [0,0,0,0,0,0|2,1,1]=4 30 B7R1.1 NCC1=CNC=N1 O30218 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.1 NCC1=COC=C1 O34052 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.1 NCC1=COC=N1 G-6098 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 NCC1=COC=N1 G-6099 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.1 NCC1=CSC=N1 L14160 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 NCC1=NC=CS1 G-7857 [0,0,0,0,0,0|2,1,1]=4 36 B7R1.1 NCC1=NC=CS1 G-7858 [0,0,0,0,0,0|2,1,1]=4 37 B7R1.1 NCC1=NOC=C1 G-6132 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.1 NCC1=NOC=C1 L14199 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 O=CC1=CCCC1 O33977 [0,0,0,0,0,0|1,0,2]=3 40 B7R1.1 O=CC1=CCCO1 O29864 [0,0,0,0,0,0|0,0,2]=2 41 B7R1.1 O=CC1=CN=CO1 I-9061 [0,0,0,0,0,0|1,0,0]=1 42 B7R1.1 O=CC1=CNN=C1 C-2878 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 O=CC1=CNN=C1 G-5044 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.1 O=CC1=COC=N1 K12239 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.1 O=CC1=CSC=N1 Q68013 [0,0,0,0,0,0|2,0,0]=2 46 B7R1.1 O=CC1=NNC=C1 O31194 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.1 OCC1=CN=CN1 O33324 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.1 OCC1=COC=N1 G-6097 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.1 OCC1=CSC=N1 O30740 [0,0,0,0,0,0|2,0,2]=4 50 B7R1.1 OCC1=NC=CN1 Q65640 [0,0,0,0,0,0|2,0,2]=4 51 B7R1.1 OCC1=NC=CS1 A-635 [0,0,0,0,0,0|1,1,2]=4 52 B7R1.1 OCC1=NNC=C1 G-5586 [0,0,0,0,0,0|2,0,2]=4 53 B7R1.1 OCC1=NOC=C1 G-7175 [0,0,0,0,0,0|2,0,2]=4 54 B6R1.2 BrC1=CC=CO1 P37236 [1,0,0,0,0,0|1,0,0]=2 55 B6R1.2 BrC1=CC=NN1 G-7014 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 BrC1=CN=CS1 P38940 [1,0,0,0,0,0|2,1,0]=4 57 B6R1.2 BrC1=NC=CN1 P40717 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 BrC1=NSC=C1 O31504 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 CC1=CNC=C1 L13609 [1,0,0,0,0,0|2,0,1]=4 60 B6R1.2 CC1=COC=C1 10706 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 CC1=COC=N1 M15472 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.2 CN1C=CC=N1 G-7493 [1,0,0,0,0,0|2,0,1]=4 63 B6R1.2 ClC1=CC=NN1 I-9279 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 ClC1=CNC=N1 F-4664 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 ClC1=CSC=N1 L13978 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 ClC1=NC=CN1 O34261 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 ClC1=NSC=C1 K10869 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 FC1=CC=NN1 L13110 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 FC1=CN=CN1 L22294 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 IC1=CNC=N1 A-910 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 IC1=NC=CN1 P38939 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 IC1=NC=CO1 G-7159 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 IC1=NC=CS1 A-965 [1,0,0,0,0,0|2,1,0]=4 74 B6R1.2 IC1=NNC=C1 H-8099 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 NC1=CC=NN1 A-809 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 NC1=CN=CS1 O30332 [1,0,0,0,0,0|2,1,0]=4 77 B6R1.2 NC1=CN=CS1 P44438 [1,0,0,0,0,0|2,1,0]=4 78 B6R1.2 NC1=CNC=N1 O32717 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 NC1=NC=CN1 I-9868 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 NC1=NC=CO1 E-3055 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 NC1=NOC=C1 C-3347 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 NN1C=CC=C1 G-5643 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 O=C1C=CSN1 K10928 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 ON1C=CC=N1 Q54490 [1,0,0,0,0,0|2,0,1]=4 85 B6R1.2 S=C1NC=CO1 L19666 [1,0,0,0,0,0|1,1,0]=3 86 B6R1.2 SC1=CSC=C1 O29467 [1,0,0,0,0,0|2,1,0]=4 87 B8R1.1 C(=O)C1=CN(C)N=C1 A-905 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 C(=O)C1=CN=C(C)N1 F-4064 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.1 CC1=CC(C=O)=CS1 L14285 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.1 CC1=CC=C(C#N)S1 Q51922 [0,1,0,0,0,0|1,1,1]=4 91 B8R1.1 CC1=CN=C(C#N)O1 Q69468 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.1 CC1=CN=C(CN)O1 O33597 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [0,1,0,0,0,0|0,1,0]=2 94 B8R1.1 CC1=CSC(CO)=C1 Q68378 [0,1,0,0,0,0|0,1,2]=4 95 B8R1.1 CC1=NC(C=O)=CO1 O30450 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.1 CC1=NC(C=O)=CS1 O30852 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.1 CC1=NC=C(C=O)S1 O31139 [0,1,0,0,0,0|1,1,0]=3 98 B8R1.1 CC1=NOC(CBr)=C1 Q69999 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.1 CN1C=CC(C=O)=N1 O31801 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CN1C=NC(C=O)=C1 G-6087 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 CSC1=CC(Br)=CS1 N26878 [0,1,0,0,0,0|2,1,0]=4 102 B8R1.1 CSC1=CC(C)=CS1 N26956 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.1 CSC1=CC=C(Br)S1 Q67761 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.1 ClCC1=CC(Br)=NO1 O30843 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.1 ClCC1=CC=C(Br)O1 O30299 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.1 N#CC1=CC(Cl)=CS1 O29929 [0,1,0,0,0,0|1,1,1]=4 107 B8R1.1 N#CC1=CC=C(Br)S1 G-5589 [0,1,0,0,0,0|1,1,1]=4 108 B8R1.1 N#CC1=CC=C(Cl)S1 G-5618 [0,1,0,0,0,0|1,1,1]=4 109 B8R1.1 N#CC1=CC=C(F)S1 G-5622 [0,1,0,0,0,0|1,1,1]=4 110 B8R1.1 NC1=NC=C(C=O)S1 P43544 [0,1,0,0,0,0|1,1,0]=3 111 B8R1.1 NC1=NN=C(C=O)S1 Q70092 [0,1,0,0,0,0|2,1,0]=4 112 B8R1.1 NCC1=CC(Br)=CS1 O33586 [0,1,0,0,0,0|1,1,1]=4 113 B8R1.1 NCC1=CC(Cl)=CS1 L13105 [0,1,0,0,0,0|1,1,1]=4 114 B8R1.1 NCC1=CC(Cl)=CS1 O31449 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.1 NCC1=CC=C(Br)S1 L14034 [0,1,0,0,0,0|1,1,1]=4 116 B8R1.1 NCC1=CC=C(Cl)S1 I-9793 [0,1,0,0,0,0|1,1,1]=4 117 B8R1.1 NCC1=CC=C(Cl)S1 P39739 [0,1,0,0,0,0|1,1,1]=4 118 B8R1.1 NCC1=CC=C(F)S1 G-6513 [0,1,0,0,0,0|1,1,1]=4 119 B8R1.1 O=CC1=CC(Br)=NN1 Q52203 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 O=CC1=CC(Cl)=CS1 O30331 [0,1,0,0,0,0|0,1,0]=2 121 B8R1.1 O=CC1=CC(I)=CN1 O30775 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.1 O=CC1=CC=C(Cl)S1 G-5619 [0,1,0,0,0,0|0,1,0]=2 123 B8R1.1 O=CC1=CN=C(Br)S1 Q67553 [0,1,0,0,0,0|1,1,0]=3 124 B8R1.1 O=CC1=CN=C(Cl)S1 S70888 [0,1,0,0,0,0|1,1,0]=3 125 B8R1.1 O=CC1=CSC(Br)=C1 L22211 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.1 O=CC1=CSC(Cl)=C1 G-5623 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.1 O=CC1=CSC(Cl)=N1 O31704 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.1 O=CC1=NC(Br)=CS1 Q68032 [0,1,0,0,0,0|1,1,0]=3 129 B8R1.1 O=CC1=NC=C(Br)S1 G-5715 [0,1,0,0,0,0|1,1,0]=3 130 B8R1.1 O=CC1=NC=C(Cl)S1 G-5979 [0,1,0,0,0,0|1,1,0]=3 131 B8R1.1 OCC1=CC(Br)=NO1 O30797 [0,1,0,0,0,0|1,0,2]=4 132 B8R1.1 OCC1=CC(Cl)=CS1 G-5627 [0,1,0,0,0,0|0,1,2]=4 133 B8R1.1 OCC1=CC=C(Br)S1 Q68061 [0,1,0,0,0,0|0,1,2]=4 134 B8R1.1 OCC1=CC=C(Cl)S1 P36343 [0,1,0,0,0,0|0,1,2]=4 135 B8R1.1 OCC1=CC=C(F)S1 G-6512 [0,1,0,0,0,0|0,1,2]=4 136 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.7 N=C(N)C1=NC=CN1 C-2876 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.7 N=C(N)C1=NC=CN1 G-5793 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.7 N=C(N)C1=NC=CN1 L13001 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.7 N=C(N)C1=NC=CS1 G-6701 [0,1,0,0,0,0|2,1,0]=4 145 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.7 NC(=O)C1=CN=CS1 O30585 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.7 NC(=O)C1=CNC=N1 M15544 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.7 NC(=O)C1=COC=N1 O34456 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.7 NC(=S)C1=CC=NN1 O30278 [0,1,0,0,0,0|2,1,0]=4 151 B8R1.7 NC(=S)C1=CN=CO1 O30338 [0,1,0,0,0,0|1,1,0]=3 152 B8R1.7 NC(=S)C1=CN=CS1 O30283 [0,1,0,0,0,0|1,2,0]=4 153 B8R1.7 NC(=S)C1=CNC=N1 O30571 [0,1,0,0,0,0|2,1,0]=4 154 B8R1.7 NC(=S)C1=COC=N1 O31656 [0,1,0,0,0,0|2,1,0]=4 155 B8R1.7 NC(=S)C1=CSC=N1 O30629 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.7 O=C(Cl)C1=NC=CS1 O31126 [0,1,0,0,0,0|1,1,0]=3 157 B8R1.7 O=C(O)C1=CC=NS1 P51141 [0,1,0,0,0,0|1,1,0]=3 158 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.7 O=C(O)C1=COC=N1 I-9284 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.7 O=C(O)C1=NSC=C1 O30998 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,1,0,0,0,0|1,0,2]=4 169 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.7 O=[N+]([O-])C1=CN=CS1 O31946 [0,1,0,0,0,0|2,1,0]=4 172 B8R1.8 CNCC1=CC=CO1 K10906 [0,1,0,0,0,0|1,0,1]=3 173 B8R1.8 COCC1=CC=CS1 N26844 [0,1,0,0,0,0|0,1,2]=4 174 B8R1.8 N#CCC1=CC=CO1 H-8398 [0,1,0,0,0,0|1,0,1]=3 175 B8R1.8 NCCC1=CC=CO1 O34064 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.8 O=CCN1C=CC=N1 S72479 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.8 OCCC1=CC=CS1 I-9194 [0,1,0,0,0,0|0,1,2]=4 178 B8R1.11 C(=O)C1=CN=CN1C F-4022 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.11 CC1=C(C#N)OC=N1 O30071 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.11 CC1=C(C=O)C=CS1 O30366 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.11 CC1=CNN=C1C=O Q60308 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.11 CC1=CSC=C1C=O L14435 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.11 CN1C=CN=C1C=O Q67822 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.11 CSC1=C(Br)C=CS1 N26856 [0,1,0,0,0,0|2,1,0]=4 185 B8R1.11 N#CC1=C(Br)C=CS1 Q67411 [0,1,0,0,0,0|1,1,1]=4 186 B8R1.11 N#CC1=CC=CN1N G-5646 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.11 N#CC1=CC=CN1N Q54648 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.11 NCC1=C(Cl)C=CS1 G-6088 [0,1,0,0,0,0|1,1,1]=4 189 B8R1.11 O=CC1=C(Br)C=CS1 Q66577 [0,1,0,0,0,0|0,1,0]=2 190 B8R1.11 O=CC1=C(Br)N=CS1 N26350 [0,1,0,0,0,0|1,1,0]=3 191 B8R1.11 O=CC1=CSC=C1Br Q67166 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.11 OCC1=C(Br)C=CS1 L13988 [0,1,0,0,0,0|0,1,2]=4 193 B8R1.11 OCC1=C(Cl)C=CS1 G-7167 [0,1,0,0,0,0|0,1,2]=4 194 B8R1.2 BrCC1=CC=CN=C1 P36550 [0,0,0,0,0,1|2,0,1]=4 195 B8R1.2 BrCC1=NC=NC=C1 P51553 [0,0,0,0,0,1|2,0,1]=4 196 B8R1.2 C#CC1=CC=NC=C1 G-7546 [0,0,0,0,0,1|2,0,1]=4 197 B8R1.2 C#CC1=CC=NC=C1 L13525 [0,0,0,0,0,1|2,0,1]=4 198 B8R1.2 C#CC1=NC=CN=C1 O31505 [0,0,0,0,0,1|2,0,1]=4 199 B8R1.2 C#CC1=NN=CC=C1 G-5224 [0,0,0,0,0,1|2,0,1]=4 200 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [0,0,0,0,0,1|1,0,0]=2 202 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [0,0,0,0,0,1|2,0,0]=3 203 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [0,0,0,0,0,1|1,0,0]=2 204 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [0,0,0,0,0,1|1,0,0]=2 205 B8R1.2 C=CC1=CC=CN=C1 O30687 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.2 CNC1=CC=NC=N1 Q58573 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.2 CNC1=NN=CC=C1 O29994 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.2 ClCC1=CC=CN=N1 C-2225 [0,0,0,0,0,1|2,0,1]=4 209 B8R1.2 ClCC1=CN=CC=N1 C-2219 [0,0,0,0,0,1|2,0,1]=4 210 B8R1.2 ClCC1=NC=CC=N1 C-2222 [0,0,0,0,0,1|2,0,1]=4 211 B8R1.2 ClCC1=NC=CN=C1 L14125 [0,0,0,0,0,1|2,0,1]=4 212 B8R1.2 ICC1=CC=CC=C1 P37031 [0,0,0,0,0,1|2,0,1]=4 213 B8R1.2 N#CC1=CC=NC=C1 Q58209 [0,0,0,0,0,1|2,0,1]=4 214 B8R1.2 N#CC1=NN=CC=C1 F-4404 [0,0,0,0,0,1|2,0,1]=4 215 B8R1.2 NCC1=CC=CN=N1 L21914 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.2 NCC1=CC=NC=C1 O30621 [0,0,0,0,0,1|2,0,1]=4 217 B8R1.2 NCC1=CC=NC=N1 C-2474 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.2 NCC1=CC=NC=N1 L13752 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.2 NCC1=NC=CC=N1 C-3224 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.2 NCC1=NC=CN=C1 C-3223 [0,0,0,0,0,1|2,0,1]=4 222 B8R1.2 NCC1=NN=CC=C1 C-2473 [0,0,0,0,0,1|2,0,1]=4 223 B8R1.2 NNC1=CC=CN=C1 C-3227 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.2 NNC1=CC=NC=C1 C-3226 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.2 NNC1=CC=NC=C1 L19135 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.2 NNC1=CC=NC=C1 O31964 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.2 NNC1=NC=CN=C1 C-2269 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.2 NNC1=NC=NC=C1 O34192 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.2 NNC1=NN=CC=C1 O30576 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.2 OCC1=CC=CN=N1 C-2224 [0,0,0,0,0,1|1,0,2]=4 231 B8R1.2 OCC1=CC=NC=N1 C-2228 [0,0,0,0,0,1|1,0,2]=4 232 B8R1.2 OCC1=CN=CC=N1 C-2217 [0,0,0,0,0,1|1,0,2]=4 233 B8R1.2 OCC1=NC=CC=N1 C-2220 [0,0,0,0,0,1|1,0,2]=4 234 B5R1.1 C1=COC=N1 G-5929 [2,0,0,0,0,0|1,0,0]=3 235 B7R0.4 C=CCOCC(=O)O P39548 [0,1,1,0,0,0|0,0,2]=4 236 B7R1.2 BrC1=CC=C(I)S1 N24353 [1,1,0,0,0,0|1,1,0]=4 237 B7R1.2 CC1=CSC(N)=C1 G-5634 [1,1,0,0,0,0|1,1,0]=4 238 B7R1.2 CN1C=CC(=O)N1 Q61559 [1,1,0,0,0,0|2,0,0]=4 239 B7R1.2 NC1=CC(=O)CC1 O29931 [1,1,0,0,0,0|1,0,1]=4 240 B7R1.2 NC1=CSC(Br)=C1 L13953 [1,1,0,0,0,0|1,1,0]=4 241 B7R1.2 NC1=CSC(Br)=C1 O33601 [1,1,0,0,0,0|1,1,0]=4 242 B7R1.2 NC1=CSC(Cl)=C1 G-5064 [1,1,0,0,0,0|1,1,0]=4 243 B7R1.2 O=C1C=C(Br)CN1 H-8451 [1,1,0,0,0,0|1,0,1]=4 244 B7R1.2 O=C1C=CC(O)C1 O30118 [1,1,0,0,0,0|1,0,1]=4 245 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [1,1,0,0,0,0|1,0,1]=4 246 B7R1.4 CC1=C(Br)C=CS1 Q67355 [1,1,0,0,0,0|0,1,1]=4 247 B7R1.4 ClC1=C(I)SC=C1 Q53198 [1,1,0,0,0,0|1,1,0]=4 248 B7R1.4 NC1=C(Br)C=CS1 M15148 [1,1,0,0,0,0|1,1,0]=4 249 B7R1.4 O=C1CCC=C1O A-670 [1,1,0,0,0,0|1,0,1]=4 250 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,1,0,0,1,0|0,0,2]=4 251 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [0,1,0,0,0,1|1,0,0]=3 252 B9R1.1 C(=O)C1=CN=C(Cl)N=C1 C-3437 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.1 C=CC1=CN=C(Br)C=C1 Q62407 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.1 C=CC1=CN=C(C)C=C1 L13585 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.1 C=CC1=CN=C(F)C=C1 L14939 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.1 C=CC1=CN=C(F)C=C1 O29601 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.1 C=CC1=NC=C(Br)C=N1 L14561 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.1 C=CC1=NC=C(Cl)C=C1 O33380 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [0,1,0,0,0,1|1,0,0]=3 260 B9R1.1 CC1=CN=C(C=O)C=N1 O30472 [0,1,0,0,0,1|1,0,0]=3 261 B9R1.1 CC1=CN=C(C=O)N=C1 G-6319 [0,1,0,0,0,1|1,0,0]=3 262 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [0,1,0,0,0,1|1,0,0]=3 263 B9R1.1 CC1=NC=C(C=O)C=N1 A-729 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [0,1,0,0,0,1|1,0,0]=3 265 B9R1.1 NC1=CN=C(C=O)C=N1 P51620 [0,1,0,0,0,1|1,0,0]=3 266 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [0,1,0,0,0,1|1,0,0]=3 267 B9R1.1 O=CC1=CN=C(Br)N=C1 Q53659 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [0,1,0,0,0,1|1,0,0]=3 269 B9R1.1 O=CC1=NC=C(Br)C=N1 G-6054 [0,1,0,0,0,1|1,0,0]=3 270 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [0,1,0,0,0,1|1,0,0]=3 271 B9R1.1 O=CC1=NC=C(Cl)N=C1 I-9606 [0,1,0,0,0,1|1,0,0]=3 272 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [0,1,0,0,0,1|1,0,0]=3 273 B9R1.1 O=CC1=NC=C(F)C=N1 G-7866 [0,1,0,0,0,1|1,0,0]=3 274 B9R1.1 O=CC1=NN=C(Cl)C=C1 G-7962 [0,1,0,0,0,1|1,0,0]=3 275 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [0,1,0,0,0,1|1,0,0]=3 276 B9R1.2 C(=O)C1=CC=CC(Br)=N1 C-3289 [0,1,0,0,0,1|1,0,0]=3 277 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [0,1,0,0,0,1|1,0,0]=3 278 B9R1.2 C(=O)C1=CC=NC(Cl)=N1 Q56440 [0,1,0,0,0,1|1,0,0]=3 279 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.2 C=CC1=CN=CC(F)=C1 L21838 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.2 C=CC1=NC(Br)=CC=C1 L18289 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [0,1,0,0,0,1|1,0,0]=3 283 B9R1.2 CC1=CC(C=O)=NC=N1 Q60298 [0,1,0,0,0,1|1,0,0]=3 284 B9R1.2 CC1=CC=NC(C=O)=N1 P44430 [0,1,0,0,0,1|1,0,0]=3 285 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [0,1,0,0,0,1|1,0,0]=3 286 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [0,1,0,0,0,1|1,0,0]=3 287 B9R1.2 NC1=NC(C=O)=CC=C1 Q53329 [0,1,0,0,0,1|1,0,0]=3 288 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [0,1,0,0,0,1|1,0,0]=3 289 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [0,1,0,0,0,1|1,0,0]=3 290 B9R1.2 O=CC1=CC(Cl)=NC=N1 Q52806 [0,1,0,0,0,1|1,0,0]=3 291 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [0,1,0,0,0,1|1,0,0]=3 292 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [0,1,0,0,0,1|1,0,0]=3 293 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [0,1,0,0,0,1|1,0,0]=3 294 B9R1.2 O=CC1=NC(Br)=CC=N1 Q56237 [0,1,0,0,0,1|1,0,0]=3 295 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [0,1,0,0,0,1|1,0,0]=3 296 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [0,1,0,0,0,1|1,0,0]=3 297 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [0,1,0,0,0,1|1,0,0]=3 298 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [0,1,0,0,0,1|1,0,0]=3 299 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,1,0,0,0,1|1,0,0]=3 300 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,1,0,0,0,1|2,0,0]=4 301 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,1,0,0,0,1|1,0,0]=3 303 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,1,0,0,0,1|1,0,0]=3 304 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,1,0,0,0,1|1,0,0]=3 305 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,1,0,0,0,1|2,0,0]=4 307 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [0,1,0,0,0,1|1,0,0]=3 308 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,1,0,0,0,1|1,0,0]=3 309 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,1,0,0,0,1|1,0,0]=3 310 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,1,0,0,0,1|1,0,0]=3 312 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,1,0,0,0,1|1,0,0]=3 314 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [0,1,0,0,0,1|2,0,0]=4 315 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,1,0,0,0,1|2,0,0]=4 316 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.8 O=C=NC1=NC=CC=C1 P43266 [0,1,0,0,0,1|1,0,1]=4 319 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [0,1,0,0,0,1|1,0,0]=3 320 B9R1.8 O\N=C\C1=CC=NC=N1 Q58586 [0,1,0,0,0,1|1,0,1]=4 321 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [0,1,0,0,0,1|1,0,0]=3 322 B9R1.15 C(=O)C1=CC=CN=C1C C-2892 [0,1,0,0,0,1|1,0,0]=3 323 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [0,1,0,0,0,1|1,0,0]=3 324 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [0,1,0,0,0,1|1,0,0]=3 325 B9R1.15 C(=O)C1=CN=CN=C1N Q55481 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.15 C(=O)C1=NC=CN=C1Cl L18467 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.15 C(=O)C1=NC=CN=C1N C-3433 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.15 C(=O)C1=NC=NC=C1N Q55482 [0,1,0,0,0,1|1,0,0]=3 329 B9R1.15 C=CC1=C(C)N=CC=C1 L14938 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.15 C=CC1=CC=CC=C1N O30540 [0,1,0,0,0,1|2,0,0]=4 331 B9R1.15 C=CC1=CC=CN=C1Br O29963 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.15 CC1=C(C=O)N=CC=C1 G-5812 [0,1,0,0,0,1|1,0,0]=3 333 B9R1.15 CC1=NC=NC=C1C=O Q60398 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [0,1,0,0,0,1|1,0,0]=3 335 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [0,1,0,0,0,1|1,0,0]=3 336 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [0,1,0,0,0,1|1,0,0]=3 337 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [0,1,0,0,0,1|1,0,0]=3 338 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [0,1,0,0,0,1|1,0,0]=3 339 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [0,1,0,0,0,1|1,0,0]=3 340 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [0,1,0,0,0,1|1,0,0]=3 341 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [0,1,0,0,0,1|1,0,0]=3 342 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [0,1,0,0,0,1|1,0,0]=3 343 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.15 O=CC1=C(Cl)N=CN=C1 Q53710 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [0,1,0,0,0,1|1,0,0]=3 346 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [0,1,0,0,0,1|1,0,0]=3 347 B9R1.15 O=CC1=NC=CC=C1Br O31907 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.15 O=CC1=NC=CC=C1Cl O31967 [0,1,0,0,0,1|1,0,0]=3 349 B9R1.15 O=CC1=NC=CC=C1F Q66589 [0,1,0,0,0,1|1,0,0]=3 350 B9R1.15 O=CC1=NC=CC=C1O L22205 [0,1,0,0,0,1|1,0,0]=3 351 B9R1.7 CC1=CC=C(CCO)O1 P51657 [0,2,0,0,0,0|0,0,2]=4 352 B9R1.7 CC1=CN(CC=O)N=C1 Q60296 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.7 O\N=C\C1=CC=C(Br)S1 Q67345 [0,2,0,0,0,0|0,1,1]=4 354 B9R1.21 CCC1=CC=C(C=O)S1 Q68134 [0,2,0,0,0,0|0,1,0]=3 355 B9R1.21 CCN1C=CC(C=O)=N1 O30808 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.21 CSC1=CC(C=O)=CS1 N25995 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.21 O=CC1=CC=C(CO)O1 P44673 [0,2,0,0,0,0|0,0,0]=2 358 B9R1.22 CC1=CC(C)=C(C=O)N1 10741 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.22 CC1=CN(C)N=C1C=O Q60397 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.22 CN1C=C(Br)C(C=O)=N1 L21597 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.22 CN1C=C(Br)N=C1C=O O32653 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.22 NC1=NC(Cl)=C(C=O)S1 O30876 [0,2,0,0,0,0|1,1,0]=4 363 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 Q68025 [0,2,0,0,0,0|1,1,0]=4 364 B9R1.23 CC1=C(Br)C=C(C=O)S1 N24807 [0,2,0,0,0,0|0,1,0]=3 365 B9R1.23 CC1=NC(C=O)=CN1C H-8650 [0,2,0,0,0,0|2,0,0]=4 366 B9R1.23 O=CC1=CC(Br)=C(Br)O1 N24849 [0,2,0,0,0,0|0,0,0]=2 367 B9R1.23 O=CC1=NC(Cl)=C(Cl)S1 Q55813 [0,2,0,0,0,0|1,1,0]=4 368 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,2,0,0,0,0|0,1,0]=3 369 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,2,0,0,0,0|1,1,0]=4 370 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.35 CC(=O)C1=NC(Br)=CS1 Q68164 [0,2,0,0,0,0|1,1,0]=4 372 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.35 CC(=O)C1=NC=C(Br)S1 I-9633 [0,2,0,0,0,0|1,1,0]=4 374 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,2,0,0,0,0|1,1,0]=4 375 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,2,0,0,0,0|2,0,0]=4 378 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,2,0,0,0,0|1,0,1]=4 381 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,2,0,0,0,0|0,0,0]=2 383 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,2,0,0,0,0|0,1,0]=3 384 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.35 NC(=O)C1=CC=C(Br)N1 G-6434 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.35 NC(=O)C1=CN=C(Br)S1 P35827 [0,2,0,0,0,0|1,1,0]=4 391 B9R1.35 NC1=CN=C(C(=O)O)S1 G-5065 [0,2,0,0,0,0|1,1,0]=4 392 B9R1.35 NC1=NC(C(=O)O)=CO1 G-7158 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.35 NC1=NC(C(=O)O)=CS1 O30841 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.35 O=C(O)C1=CC(Br)=NN1 H-8098 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,2,0,0,0,0|0,1,0]=3 396 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,2,0,0,0,0|0,1,0]=3 397 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,2,0,0,0,0|0,1,0]=3 398 B9R1.35 O=C(O)C1=CN=C(Cl)S1 O31901 [0,2,0,0,0,0|1,1,0]=4 399 B9R1.35 O=C(O)C1=COC(Cl)=N1 O30387 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.35 O=C(O)C1=NC(Br)=CS1 G-6045 [0,2,0,0,0,0|1,1,0]=4 402 B9R1.35 O=C(O)C1=NC=C(Br)S1 I-9912 [0,2,0,0,0,0|1,1,0]=4 403 B9R1.35 O=C(O)C1=NC=C(Cl)S1 I-9904 [0,2,0,0,0,0|1,1,0]=4 404 B9R1.35 O=C(O)C1=NNC(Br)=C1 H-8089 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.35 O=C(O)C1=NNC(Cl)=C1 O34355 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.35 O=C(O)C1=NNC(F)=C1 Q52440 [0,2,0,0,0,0|2,0,0]=4 407 B9R1.35 O=C1C=C(C(=O)O)CC1 O30224 [0,2,0,0,0,0|1,0,1]=4 408 B9R1.35 O=C1NC=C(C(=O)O)N1 O34427 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.132 C(=O)C1=C(C)C(C)=CN1 C-3630 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.132 CN1C(Br)=CN=C1C=O L22416 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.132 O=CC1=C(Br)C(Br)=CS1 Q68398 [0,2,0,0,0,0|0,1,0]=3 412 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.11 COC(=O)C1=CN=CO1 O30359 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.11 COC(=O)C1=CN=CS1 P48087 [0,2,0,0,0,0|1,1,0]=4 415 B9R1.11 COC(=O)C1=NC=CN1 G-6057 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.11 COC(=O)C1=NC=CS1 P37422 [0,2,0,0,0,0|1,1,0]=4 417 B9R1.11 COC(=O)C1=NNC=C1 P40994 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.11 NC(CO)C1=CC=CO1 P39130 [0,2,0,0,0,0|0,0,2]=4 419 B9R1.11 NCC(O)C1=CC=CO1 P39131 [0,2,0,0,0,0|0,0,2]=4 420 B9R1.11 NNC(=O)C1=CN=CO1 P43186 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.11 NNC(=O)C1=CN=CS1 O30333 [0,2,0,0,0,0|1,1,0]=4 422 B9R1.11 NNC(=O)C1=COC=N1 O30605 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.11 NNC(=O)C1=CSC=N1 O31923 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.11 NNC(=O)C1=NC=CS1 O31112 [0,2,0,0,0,0|1,1,0]=4 425 B9R1.11 O=C(CBr)C1=CC=CS1 P43533 [0,2,0,0,0,0|0,1,0]=3 426 B9R1.11 O=C(CBr)C1=CSC=C1 O31908 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.11 O=C(CBr)C1=CSC=N1 O31047 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.11 O=C(CBr)C1=NC=CS1 O31894 [0,2,0,0,0,0|1,1,0]=4 429 B9R1.11 O=CC(=O)C1=CC=CS1 P41441 [0,2,0,0,0,0|0,1,0]=3 430 B9R1.11 OC[C@@H](O)C1=CC=CO1 P51763 [0,2,0,0,0,0|0,0,2]=4 431 B9R1.41 CC(=O)C1=C(Br)C=CS1 Q65588 [0,2,0,0,0,0|0,1,0]=3 432 B9R1.41 CC(=O)C1=CC=NN1C N24556 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.41 CC(=O)C1=NC=CN1C C-2913 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.41 CC1=C(C(=O)Cl)SC=N1 F-4290 [0,2,0,0,0,0|1,1,0]=4 435 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.41 CC1=C(C(=O)O)NC=N1 L20560 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.41 CC1=CSC=C1C(=O)O L22411 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.41 CN1C=NC=C1C(=O)O G-7569 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.41 CN1N=CC=C1C(=O)Cl O30448 [0,2,0,0,0,0|2,0,0]=4 441 B9R1.41 CN1N=CC=C1C(=O)O G-5544 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.41 NC(=O)C1=CC=CN1N L13700 [0,2,0,0,0,0|1,0,0]=3 443 B9R1.41 NC(=O)C1=CN=CN1N P48834 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [0,2,0,0,0,0|0,1,0]=3 446 B9R1.41 O=C(O)C1=C(Br)N=CN1 H-8119 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.41 O=C(O)C1=C(Br)N=CS1 Q68781 [0,2,0,0,0,0|1,1,0]=4 448 B9R1.41 O=C(O)C1=C(Br)SC=N1 O34437 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.41 O=C(O)C1=NNC=C1F Q64164 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.12 CCNCC1=CC=CO1 P41212 [0,2,0,0,0,0|1,0,1]=4 453 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,2,0,0,0,0|0,1,0]=3 454 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.14 COC1=C(C=O)C=CS1 L14528 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.14 CSC1=C(C=O)C=CS1 N25993 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.14 O=CC1=C(C=O)SC=C1 F-4002 [0,2,0,0,0,0|0,1,0]=3 461 B9R1.27 CN1N=CC(Br)=C1C=O O31195 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.27 CN1N=CC(I)=C1C=O S72546 [0,2,0,0,0,0|2,0,0]=4 463 B7R1.3 OC1=CC=NN=C1 H-8637 [0,0,1,1,0,0|2,0,0]=4 464 B7R1.3 OC1=CN=CN=C1 I-9410 [0,0,1,1,0,0|2,0,0]=4 465 B7R1.3 OC1=CN=CN=C1 N25469 [0,0,1,1,0,0|2,0,0]=4 466 B7R1.3 SC1=CC=CN=C1 Q62383 [0,0,1,1,0,0|1,1,0]=4