0 B6R1.2 BrC1=CSN=C1 P51086 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 BrC1=NSC=C1 O31504 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,0,0,0|1,1,1]=3 3 B6R1.2 CC1CCCN1 Q61737 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 CC1CCNC1 M22664 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CN1CC=CC1 Q61507 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 ClC1=CSC=N1 L13978 [0,0,0,0,0,0|2,0,2]=4 10 B6R1.2 ClC1=NSC=C1 K10869 [0,0,0,0,0,0|2,0,2]=4 11 B6R1.2 ClC1CCNC1 P42791 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 FC1=CCNC1 Q63558 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 FC1CCNC1 A-349 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 FC1CCNC1 C-2208 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 FC1CCNC1 P51370 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 IC1=COCC1 Q53484 [0,0,0,0,0,0|1,1,1]=3 20 B6R1.2 IC1CCCC1 I-9679 [0,0,0,0,0,0|2,0,1]=3 21 B6R1.2 IC1CCOC1 C-3308 [0,0,0,0,0,0|1,1,1]=3 22 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,0,0,0|1,1,1]=3 23 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,0,0,0|1,1,1]=3 24 B6R1.2 NC1=CSN=C1 L22383 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 NC1CCOC1 B-1171 [0,0,0,0,0,0|1,1,1]=3 28 B6R1.2 NC1CCOC1 P39935 [0,0,0,0,0,0|1,1,1]=3 29 B6R1.2 NN1CCCC1 M23462 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,0,0,0|1,1,1]=3 31 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,0,0,0|1,1,1]=3 32 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,0,0,0|1,1,1]=3 33 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,0,0,0|1,1,1]=3 34 B6R1.2 O=C1C=CSN1 K10928 [0,0,0,0,0,0|1,0,2]=3 35 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,0,0,0|1,0,0]=1 36 B6R1.2 O=C1CCNC1 S72535 [0,0,0,0,0,0|1,0,0]=1 37 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,0,0,0|0,1,0]=1 38 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,0,0,0|0,0,0]=0 39 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,0,0,0|1,0,3]=4 40 B6R1.2 OC1CCNC1 G-5959 [0,0,0,0,0,0|1,0,2]=3 41 B6R1.2 OC1CCNC1 I-9548 [0,0,0,0,0,0|1,0,2]=3 42 B6R1.2 OC1CCOC1 C-3328 [0,0,0,0,0,0|0,1,2]=3 43 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,0,0,0|0,1,2]=3 44 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,0,0,0|0,1,2]=3 45 B6R1.2 S=C1NCCO1 O31137 [0,0,0,0,0,0|3,1,0]=4 46 B6R1.2 SC1=CSC=C1 O29467 [0,0,0,0,0,0|0,1,3]=4 47 B5R1.1 C1CSCO1 P51538 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.1 BrCC1=CCCC1 G-5335 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,0,0,0|1,1,1]=4 50 B7R1.1 C#CC1CCNC1 Q55467 [0,1,0,0,0,0|2,0,1]=4 51 B7R1.1 C#CC1CCNC1 Q55468 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 C#CC1CCOC1 G-7177 [0,1,0,0,0,0|1,1,1]=4 53 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,0,0,0|2,0,1]=4 54 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 CNC1CCCC1 P36274 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 CNC1CCNC1 P41664 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,0,0,0|1,1,1]=4 58 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,0,0,0|1,1,1]=4 60 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.1 COC1CCNC1 C-2248 [0,1,0,0,0,0|1,0,2]=4 63 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.1 CSC1CCNC1 L20011 [0,1,0,0,0,0|1,1,1]=4 66 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,0,0,0|1,1,1]=4 67 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,0,0,0|1,1,1]=4 68 B7R1.1 FCC1CCNC1 L20341 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 ICC1CCCC1 P39098 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,0,0,0|1,1,1]=4 75 B7R1.1 N#CC1CCNC1 L13633 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.1 N#CC1CCNC1 M23796 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 N#CC1CCOC1 I-9148 [0,1,0,0,0,0|1,1,1]=4 78 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,1,0,0,0,0|1,1,1]=4 80 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,1,0,0,0,0|1,1,1]=4 82 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 NCC1CCCC1 L14012 [0,1,0,0,0,0|2,0,1]=4 84 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,0,0,0|1,1,1]=4 85 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,0,0,0|1,1,1]=4 86 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,0,0,0|1,1,1]=4 87 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,0,0,0|1,1,1]=4 88 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,0,0,0|2,0,1]=4 89 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,0,0,0|1,1,1]=4 90 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,0,0,0|1,1,1]=4 91 B7R1.1 NNC1CCCC1 O31761 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 NNC1CCNC1 O29712 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.1 O=CC1=CCCC1 O33977 [0,1,0,0,0,0|1,0,1]=3 94 B7R1.1 O=CC1=CCCO1 O29864 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 O=CC1=CSC=N1 Q68013 [0,1,0,0,0,0|1,0,2]=4 96 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,0,0,0|1,0,2]=4 97 B7R1.1 OCC1CCNC1 L13610 [0,1,0,0,0,0|1,0,2]=4 98 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,0,0,0|0,1,2]=4 99 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,0,0,0|1,0,2]=4 100 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,0,0,0|1,0,2]=4 101 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,0,0,0|0,1,2]=4 102 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,0,0,0|0,1,2]=4 105 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,0,0,0|1,0,2]=4 106 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,0,0,0|1,0,2]=4 107 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,0,0,0|2,0,1]=4 108 B7R1.2 CC1CNC(=O)C1 L13710 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.2 CC1CNC(=O)O1 P51279 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.2 CN1CCC(Br)C1 Q53645 [0,1,0,0,0,0|2,0,1]=4 111 B7R1.2 CN1CCC(N)C1 C-2205 [0,1,0,0,0,0|2,0,1]=4 112 B7R1.2 CN1CCC(N)C1 O28463 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.2 CN1CCC(O)C1 C-3294 [0,1,0,0,0,0|1,0,2]=4 114 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,1,0,0,0,0|2,0,1]=4 115 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,1,0,0,0,0|1,0,2]=4 117 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,1,0,0,0,0|1,0,2]=4 121 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,0,0,0|1,0,2]=4 125 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,0,0,0|1,0,2]=4 127 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,0,0,0|1,0,2]=4 129 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,0,0,0|1,0,2]=4 130 B7R1.2 N=C1CSC(=O)N1 L20743 [0,1,0,0,0,0|2,0,1]=4 131 B7R1.2 NC1=CC(=O)CC1 O29931 [0,1,0,0,0,0|1,0,1]=3 132 B7R1.2 NC1CCC(F)C1 Q54470 [0,1,0,0,0,0|2,0,1]=4 133 B7R1.2 NC1CCC(F)C1 Q54471 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.2 NC1CCC(O)C1 G-5810 [0,1,0,0,0,0|1,0,2]=4 135 B7R1.2 NC1CNC(=O)C1 G-6478 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 NC1CNC(=O)C1 L13560 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,1,0,0,0,0|2,0,1]=4 139 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,1,0,0,0,0|1,0,2]=4 141 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,1,0,0,0,0|1,0,2]=4 142 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,1,0,0,0,0|1,0,2]=4 143 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,1,0,0,0,0|1,0,2]=4 145 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,1,0,0,0,0|1,0,2]=4 146 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,1,0,0,0,0|2,0,1]=4 150 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,1,0,0,0,0|1,0,2]=4 152 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,1,0,0,0,0|1,0,2]=4 153 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,1,0,0,0,0|1,0,2]=4 154 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,1,0,0,0,0|1,0,2]=4 156 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,1,0,0,0,0|1,0,2]=4 157 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.2 O=C1C=CC(O)C1 O30118 [0,1,0,0,0,0|1,0,1]=3 160 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,1,0,0,0,0|1,0,1]=3 161 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,1,0,0,0,0|1,0,0]=2 163 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,0,0,0|1,0,0]=2 164 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,0,0,0|1,0,0]=2 165 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,0,0,0|1,0,0]=2 166 B7R1.2 O=C1CNC(=O)C1 L18257 [0,1,0,0,0,0|1,0,1]=3 167 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.2 OC1CCC(F)C1 Q55723 [0,1,0,0,0,0|1,0,2]=4 170 B7R1.2 OC1CCC(O)C1 L14091 [0,1,0,0,0,0|1,0,2]=4 171 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,1,0,0,0,0|1,0,2]=4 172 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,1,0,0,0,0|1,0,2]=4 173 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,1,0,0,0,0|1,0,2]=4 174 B7R1.2 S=C1CCC(=S)N1 M15166 [0,1,0,0,0,0|2,1,0]=4 175 B7R1.4 CC1CCNC1=O O30375 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.4 CC1CCNC1C Q61659 [0,1,0,0,0,0|2,0,1]=4 177 B7R1.4 CC1CNCC1C O33388 [0,1,0,0,0,0|2,0,1]=4 178 B7R1.4 CC1CNCC1F Q54416 [0,1,0,0,0,0|2,0,1]=4 179 B7R1.4 CC1CNCC1O Q59312 [0,1,0,0,0,0|1,0,2]=4 180 B7R1.4 CN1CCCC1=N Q59266 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,0,0,0|2,0,1]=4 182 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,0,0,0|2,0,1]=4 183 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,0,0,0|2,0,1]=4 185 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,0,0,0|2,0,1]=4 186 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,0,0,0|2,0,1]=4 187 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,0,0,0|2,0,1]=4 188 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,0,0,0|1,0,2]=4 189 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,0,0,0|1,0,2]=4 190 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,0,0,0|1,0,2]=4 191 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,0,0,0|1,0,2]=4 192 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,0,0,0|1,1,1]=4 193 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,1,0,0,0,0|1,0,2]=4 194 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,1,0,0,0,0|1,0,2]=4 195 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,0,0,0|2,0,1]=4 196 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,0,0,0|2,0,1]=4 197 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,0,0,0|1,1,1]=4 199 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,1,0,0,0,0|1,0,2]=4 200 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,1,0,0,0,0|1,0,2]=4 201 B7R1.4 FC1CNCC1F Q57411 [0,1,0,0,0,0|2,0,1]=4 202 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,1,0,0,0,0|2,0,1]=4 203 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,1,0,0,0,0|2,0,1]=4 204 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,1,0,0,0,0|2,0,1]=4 205 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,1,0,0,0,0|2,0,1]=4 206 B7R1.4 NC1CCCC1Cl Q54474 [0,1,0,0,0,0|2,0,1]=4 207 B7R1.4 NC1CCCC1F Q54472 [0,1,0,0,0,0|2,0,1]=4 208 B7R1.4 NC1CCCC1F Q54473 [0,1,0,0,0,0|2,0,1]=4 209 B7R1.4 NC1CCCC1O F-4442 [0,1,0,0,0,0|1,0,2]=4 210 B7R1.4 NC1CCNC1=O F-4440 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.4 NN1CCCC1=O P51102 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,1,0,0,0,0|2,0,1]=4 213 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,1,0,0,0,0|2,0,1]=4 214 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,1,0,0,0,0|1,0,2]=4 215 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,1,0,0,0,0|1,0,2]=4 216 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,1,0,0,0,0|2,0,1]=4 217 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,1,0,0,0,0|2,0,1]=4 218 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,1,0,0,0,0|2,0,1]=4 219 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,1,0,0,0,0|2,0,1]=4 220 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,1,0,0,0,0|2,0,1]=4 221 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,1,0,0,0,0|1,0,2]=4 222 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,1,0,0,0,0|1,0,2]=4 223 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,1,0,0,0,0|1,1,1]=4 225 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,1,0,0,0,0|1,1,1]=4 226 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,1,0,0,0,0|1,1,1]=4 227 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,1,0,0,0,0|0,1,2]=4 228 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,1,0,0,0,0|2,0,1]=4 229 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,1,0,0,0,0|1,0,2]=4 230 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,1,0,0,0,0|1,0,2]=4 231 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,1,0,0,0,0|1,0,2]=4 232 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,1,0,0,0,0|2,0,1]=4 233 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,1,0,0,0,0|2,0,1]=4 234 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,1,0,0,0,0|2,0,1]=4 235 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,1,0,0,0,0|2,0,1]=4 236 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,1,0,0,0,0|1,0,2]=4 237 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,1,0,0,0,0|1,0,2]=4 238 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,1,0,0,0,0|1,0,2]=4 239 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,1,0,0,0,0|2,0,0]=3 240 B7R1.4 N[C@H]1CCNC1=O L14236 [0,1,0,0,0,0|2,0,0]=3 241 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,1,0,0,0,0|1,1,1]=4 242 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,1,0,0,0,0|1,1,1]=4 243 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,1,0,0,0,0|0,1,2]=4 244 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,1,0,0,0,0|0,1,2]=4 245 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,1,0,0,0,0|0,1,2]=4 246 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,1,0,0,0,0|0,1,2]=4 247 B7R1.4 O=C1CCC=C1O A-670 [0,1,0,0,0,0|1,0,1]=3 248 B7R1.4 O=C1CCCC1=O L19145 [0,1,0,0,0,0|1,0,1]=3 249 B7R1.4 O=C1CCCC1O Q61720 [0,1,0,0,0,0|1,0,0]=2 250 B7R1.4 O=C1CCNC1=O Q62042 [0,1,0,0,0,0|1,0,1]=3 251 B7R1.4 O=C1NCCC1Br O31241 [0,1,0,0,0,0|2,0,0]=3 252 B7R1.4 O=C1NCCC1F Q62170 [0,1,0,0,0,0|2,0,0]=3 253 B7R1.4 O=C1NCCC1O D-2532 [0,1,0,0,0,0|2,0,0]=3 254 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,1,0,0,0,0|2,0,0]=3 255 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,1,0,0,0,0|2,0,0]=3 256 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,1,0,0,0,0|2,0,0]=3 257 B7R1.4 O=C1NCC[C@H]1O O30124 [0,1,0,0,0,0|2,0,0]=3 258 B7R1.4 OC1CCC=C1Br O29401 [0,1,0,0,0,0|2,0,1]=4 259 B7R1.4 OC1CCCC1F L19027 [0,1,0,0,0,0|1,0,2]=4 260 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,1,0,0,0,0|1,0,2]=4 261 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,1,0,0,0,0|1,0,2]=4 262 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,1,0,0,0,0|1,0,2]=4 263 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,1,0,0,0,0|1,0,2]=4 264 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,1,0,0,0,0|1,0,2]=4 265 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,1,0,0,0,0|1,0,2]=4 266 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,1,0,0,0,0|1,0,2]=4 267 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,1,0,0,0,0|1,0,2]=4 268 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,1,0,0,0,0|1,0,2]=4 269 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,1,0,0,0,0|1,0,2]=4 270 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,1,0,0,0,0|1,0,2]=4 271 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,1,0,0,0,0|1,0,2]=4 272 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,1,0,0,0,0|1,0,2]=4 273 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,1,0,0,0,0|1,0,2]=4 274 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,1,0,0,0,0|0,1,2]=4 275 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,0,0,0|2,0,1]=4 276 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,0,0,0|2,0,1]=4 277 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,0,0,0|2,0,1]=4 278 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,0,0,0|2,0,1]=4 279 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,0,0,0|2,0,1]=4 280 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,0,0,0|2,0,1]=4 281 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,0,0,0|2,0,1]=4 282 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,0,0,0|1,1,1]=4 283 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,0,0,0|1,0,2]=4 284 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,0,0,0|1,0,2]=4 285 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,0,0,0|2,0,1]=4 286 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,0,0,0|2,0,1]=4 287 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,0,0,0|1,0,2]=4 288 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,0,0,0|1,0,2]=4 289 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,0,0,0|2,0,1]=4 290 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,0,0,0|2,0,1]=4 291 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,0,0,0|1,0,2]=4 292 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,0,0,0|1,0,2]=4 293 B7R1.14 FC1(F)CCNC1 C-2209 [0,1,0,0,0,0|2,0,1]=4 294 B7R1.14 O=P1(Cl)CC=CC1 L21005 [0,1,0,0,0,0|2,0,1]=4 295 B7R1.14 O=S1(=O)CCC=N1 G-7785 [0,1,0,0,0,0|3,0,0]=4 296 B5R0.1 C=C(C)CON P51484 [0,0,1,0,0,0|2,1,0]=4 297 B5R0.1 CC(N)CCO P39048 [0,0,1,0,0,0|1,1,1]=4 298 B5R0.1 CC(O)CCN M22972 [0,0,1,0,0,0|1,0,2]=4 299 B5R0.1 CCC[C@H](C)N I-9318 [0,0,1,0,0,0|2,0,1]=4 300 B5R0.1 CNCC(C)O P40721 [0,0,1,0,0,0|1,0,2]=4 301 B5R0.1 CNC[C@@H](C)O P41738 [0,0,1,0,0,0|1,0,2]=4 302 B5R0.1 CNC[C@H](C)O P36531 [0,0,1,0,0,0|1,0,2]=4 303 B5R0.1 COCC(=N)N O34478 [0,0,1,0,0,0|2,1,0]=4 304 B5R0.1 COCC(C)Br O32164 [0,0,1,0,0,0|1,1,1]=4 305 B5R0.1 C[C@@H](N)CCO F-4752 [0,0,1,0,0,0|1,1,1]=4 306 B5R0.1 C[C@H](N)CCO F-4570 [0,0,1,0,0,0|1,1,1]=4 307 B5R0.1 O=C(O)CCF A-698 [0,0,1,0,0,0|2,0,0]=3 308 B5R0.2 C#CCCNC L20446 [0,0,1,0,0,0|2,0,1]=4 309 B5R0.2 C#CCNCC P37598 [0,0,1,0,0,0|2,0,1]=4 310 B5R0.2 C#CCOCC O29883 [0,0,1,0,0,0|1,1,1]=4 311 B5R0.2 CCNCCCl L21040 [0,0,1,0,0,0|2,0,1]=4 312 B5R0.2 CNCCSC M23087 [0,0,1,0,0,0|2,0,0]=3 313 B5R0.2 CSCCCN P39434 [0,0,1,0,0,0|1,0,1]=3 314 B5R0.3 C#CC(=O)NC L19171 [0,0,1,0,0,0|2,0,1]=4 315 B5R0.3 CNC(=O)CBr P38653 [0,0,1,0,0,0|2,0,0]=3 316 B5R0.3 CNC(=O)CN P37877 [0,0,1,0,0,0|2,0,0]=3 317 B5R0.3 CNC(=O)CO P37539 [0,0,1,0,0,0|1,1,0]=3 318 B5R0.3 COC(=N)CCl P36514 [0,0,1,0,0,0|3,0,0]=4 319 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,1,0,0|2,0,1]=4 320 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,1,0,0|2,0,1]=4 321 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,1,0,0|2,0,1]=4 322 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,1,0,0|2,0,1]=4 323 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,1,0,0|2,0,1]=4 324 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,1,0,0|2,0,1]=4 325 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,1,0,0|2,0,1]=4 326 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,1,0,0|2,0,1]=4 327 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,1,0,0|2,0,1]=4 328 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,1,0,0|0,1,2]=4 329 B5R1.2 BrC1CNC1 D-2507 [0,0,0,0,1,0|2,0,1]=4 330 B5R1.2 BrC1CNC1 P39525 [0,0,0,0,1,0|2,0,1]=4 331 B5R1.2 BrC1COC1 C-2448 [0,0,0,0,1,0|1,1,1]=4 332 B5R1.2 C=C1CCC1 P49771 [0,0,0,0,1,0|1,0,0]=2 333 B5R1.2 C=C1COC1 Q53034 [0,0,0,0,1,0|1,1,0]=3 334 B5R1.2 CC1CCN1 M22690 [0,0,0,0,1,0|2,0,1]=4 335 B5R1.2 CC1CCN1 P44577 [0,0,0,0,1,0|2,0,1]=4 336 B5R1.2 CC1CCO1 Q53239 [0,0,0,0,1,0|1,1,1]=4 337 B5R1.2 CC1CNC1 C-2879 [0,0,0,0,1,0|2,0,1]=4 338 B5R1.2 C[C@@H]1CCN1 P45172 [0,0,0,0,1,0|2,0,1]=4 339 B5R1.2 C[C@@H]1CCO1 Q53238 [0,0,0,0,1,0|1,1,1]=4 340 B5R1.2 C[C@H]1CCN1 P44797 [0,0,0,0,1,0|2,0,1]=4 341 B5R1.2 C[C@H]1CCO1 Q53237 [0,0,0,0,1,0|1,1,1]=4 342 B5R1.2 ClC1CNC1 G-7722 [0,0,0,0,1,0|2,0,1]=4 343 B5R1.2 ClC1COC1 L21610 [0,0,0,0,1,0|1,1,1]=4 344 B5R1.2 FC1CNC1 A-433 [0,0,0,0,1,0|2,0,1]=4 345 B5R1.2 FC1CNC1 P45315 [0,0,0,0,1,0|2,0,1]=4 346 B5R1.2 IC1CCC1 L21363 [0,0,0,0,1,0|1,0,1]=3 347 B5R1.2 IC1CNC1 F-4497 [0,0,0,0,1,0|2,0,1]=4 348 B5R1.2 IC1COC1 C-2449 [0,0,0,0,1,0|1,1,1]=4 349 B5R1.2 NC1CCC1 P45382 [0,0,0,0,1,0|1,0,1]=3 350 B5R1.2 NC1CNC1 L13523 [0,0,0,0,1,0|2,0,1]=4 351 B5R1.2 NC1COC1 C-2472 [0,0,0,0,1,0|1,1,1]=4 352 B5R1.2 NC1COC1 O31926 [0,0,0,0,1,0|1,1,1]=4 353 B5R1.2 NC1CSC1 G-6637 [0,0,0,0,1,0|1,0,1]=3 354 B5R1.2 NC1CSC1 Q58806 [0,0,0,0,1,0|1,0,1]=3 355 B5R1.2 NC1CSC1 S72763 [0,0,0,0,1,0|1,0,1]=3 356 B5R1.2 O=C1CCN1 P35040 [0,0,0,0,1,0|1,0,0]=2 357 B5R1.2 O=C1CNC1 C-2452 [0,0,0,0,1,0|1,0,0]=2 358 B5R1.2 O=C1COC1 A-880 [0,0,0,0,1,0|0,1,0]=2 359 B5R1.2 O=C1CSC1 A-895 [0,0,0,0,1,0|0,0,0]=1 360 B5R1.2 OC1CNC1 A-407 [0,0,0,0,1,0|1,0,2]=4 361 B5R1.2 OC1CNC1 O28030 [0,0,0,0,1,0|1,0,2]=4 362 B5R1.2 OC1COC1 B-1102 [0,0,0,0,1,0|0,1,2]=4 363 B5R1.2 OC1CSC1 L21497 [0,0,0,0,1,0|0,0,2]=3 364 B5R1.2 SC1CNC1 G-7240 [0,0,0,0,1,0|1,1,1]=4 365 B5R1.2 SC1COC1 G-6845 [0,0,0,0,1,0|0,2,1]=4 366 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,0,0,1|2,0,0]=3 367 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,0,0,1|2,0,0]=3 368 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,0,0,1|2,0,1]=4 369 B7R1.3 BrC1CCCOC1 O33555 [0,0,0,0,0,1|1,1,1]=4 370 B7R1.3 BrC1CCOCC1 C-3420 [0,0,0,0,0,1|1,1,1]=4 371 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,0,0,1|2,0,0]=3 372 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,0,0,1|1,1,0]=3 373 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,0,0,1|2,0,0]=3 374 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,0,0,1|2,0,0]=3 375 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,0,0,1|1,1,0]=3 376 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,0,0,1|2,0,0]=3 377 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,0,0,1|2,0,0]=3 378 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,0,0,1|2,0,1]=4 379 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,0,0,1|2,0,1]=4 380 B7R1.3 CC1COCCN1 B-1060 [0,0,0,0,0,1|1,1,1]=4 381 B7R1.3 CC1COCCN1 O28936 [0,0,0,0,0,1|1,1,1]=4 382 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,0,0,1|2,0,1]=4 383 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,0,0,1|2,0,1]=4 384 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,0,0,1|2,0,1]=4 385 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,0,0,1|2,0,1]=4 386 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,0,0,0,0,1|1,1,1]=4 387 B7R1.3 C[C@@H]1COCCN1 P34848 [0,0,0,0,0,1|1,1,1]=4 388 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,0,0,1|2,0,1]=4 389 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,0,0,1|2,0,1]=4 390 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,0,0,1|2,0,1]=4 391 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,0,0,1|2,0,1]=4 392 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,0,0,1|2,0,1]=4 393 B7R1.3 C[C@H]1COCCN1 B-1059 [0,0,0,0,0,1|1,1,1]=4 394 B7R1.3 C[C@H]1COCCN1 P42980 [0,0,0,0,0,1|1,1,1]=4 395 B7R1.3 ClC1CCCOC1 Q57646 [0,0,0,0,0,1|1,1,1]=4 396 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,0,0,1|2,0,1]=4 397 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,0,0,1|2,0,1]=4 398 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,0,0,1|2,0,1]=4 399 B7R1.3 IC1CCOCC1 C-3266 [0,0,0,0,0,1|1,1,1]=4 400 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,0,0,1|3,0,0]=4 401 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,0,0,1|3,0,0]=4 402 B7R1.3 NC1CCCOC1 I-9177 [0,0,0,0,0,1|1,1,1]=4 403 B7R1.3 NC1CCCOC1 Q56350 [0,0,0,0,0,1|1,1,1]=4 404 B7R1.3 NC1CCOCC1 B-1768 [0,0,0,0,0,1|1,1,1]=4 405 B7R1.3 NC1CCOCC1 G-5110 [0,0,0,0,0,1|1,1,1]=4 406 B7R1.3 NC1CCSCC1 O33298 [0,0,0,0,0,1|1,0,1]=3 407 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,0,0,1|2,0,1]=4 408 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,0,0,0,0,1|1,1,1]=4 409 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,0,0,1|1,0,1]=3 410 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,0,0,1|0,1,1]=3 411 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,0,0,1|0,1,1]=3 412 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,0,0,1|1,0,0]=2 413 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,0,0,1|1,0,0]=2 414 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,0,0,1|0,1,0]=2 415 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,0,0,1|0,0,0]=1 416 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,0,0,1|0,1,0]=2 417 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,0,0,1|0,0,0]=1 418 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,0,0,1|1,0,0]=2 419 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,0,0,1|0,1,0]=2 420 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,0,0,1|2,0,0]=3 421 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,0,0,1|0,1,2]=4 422 B7R1.3 OC1CCNCC1 Q52555 [0,0,0,0,0,1|1,0,2]=4 423 B7R1.3 OC1CCOCC1 B-1769 [0,0,0,0,0,1|0,1,2]=4 424 B7R1.3 OC1CCSCC1 Q69934 [0,0,0,0,0,1|0,0,2]=3 425 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,0,0,1|1,0,2]=4 426 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,0,0,1|0,1,2]=4 427 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,0,0,1|1,0,2]=4 428 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,0,0,1|1,0,2]=4 429 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,0,0,1|0,1,2]=4 430 B7R1.3 SC1CCCNC1 L21541 [0,0,0,0,0,1|1,1,1]=4 431 B7R1.3 SC1CCCOC1 Q57701 [0,0,0,0,0,1|0,2,1]=4 432 B7R1.3 SC1CCNCC1 I-9049 [0,0,0,0,0,1|1,1,1]=4 433 B4R0.1 C#CC(C)=O P41295 [1,0,1,0,0,0|0,0,2]=4 434 B4R0.1 C=C(C)CN P39039 [1,0,1,0,0,0|2,0,0]=4 435 B4R0.1 CC(=O)CN P45193 [1,0,1,0,0,0|1,0,0]=3 436 B4R0.1 CC(N)CS L19436 [1,0,1,0,0,0|1,0,1]=4 437 B4R0.2 C=CCCN L22153 [1,0,1,0,0,0|1,0,1]=4 438 B4R0.2 CCCNN O30752 [1,0,1,0,0,0|2,0,0]=4 439 B4R0.2 CNCCBr O34465 [1,0,1,0,0,0|2,0,0]=4 440 B4R0.2 COCC=O F-4461 [1,0,1,0,0,0|0,1,0]=3 441 B4R0.2 COCCI O28025 [1,0,1,0,0,0|1,1,0]=4 442 B4R0.2 CSCCBr O31085 [1,0,1,0,0,0|1,0,0]=3 443 B4R0.2 CSCCN P36563 [1,0,1,0,0,0|1,0,0]=3 444 B4R0.2 NCCCS A-986 [1,0,1,0,0,0|1,0,1]=4 445 B4R0.2 NCCCS M15465 [1,0,1,0,0,0|1,0,1]=4 446 B6R0.1 CCC(=O)CC#N P38761 [0,1,1,0,0,0|1,0,1]=4 447 B6R0.1 CCNC(=O)CN P39222 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.1 CCNC(=O)CO O31312 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.1 CCNC(=O)NC M15284 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.1 CNC(=O)CCCl P38167 [0,1,1,0,0,0|1,0,0]=3 451 B6R0.1 CNC(=O)CCN P37692 [0,1,1,0,0,0|1,0,0]=3 452 B6R0.1 CNCC(=O)NC P37691 [0,1,1,0,0,0|1,0,0]=3 453 B6R0.1 CNCC(=O)NC P38046 [0,1,1,0,0,0|1,0,0]=3 454 B6R0.2 CC(=O)NC(C)C P50955 [0,1,1,0,0,0|2,0,0]=4 455 B6R0.2 CC(O)CC(=O)O P38963 [0,1,1,0,0,0|1,1,0]=4 456 B6R0.2 CN(C)CC(N)=O P36935 [0,1,1,0,0,0|2,0,0]=4 457 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,1,1,0,0,0|2,0,0]=4 458 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,1,1,0,0,0|1,1,0]=4 460 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,1,1,0,0,0|2,0,0]=4 461 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,1,1,0,0,0|1,1,0]=4 462 B6R0.3 CCC(N)C(N)=O P35312 [0,1,1,0,0,0|2,0,0]=4 463 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,1,1,0,0,0|2,0,0]=4 464 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,1,1,0,0,0|2,0,0]=4 466 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,1,1,0,0,0|2,0,0]=4 467 B6R0.3 CNC(C)C(N)=O P41317 [0,1,1,0,0,0|2,0,0]=4 468 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,1,1,0,0,0|1,1,0]=4 469 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [0,1,1,0,0,0|2,0,0]=4 470 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [0,1,1,0,0,0|2,0,0]=4 471 B6R0.3 C[C@H](CN)C(=O)O Q69061 [0,1,1,0,0,0|2,0,0]=4 472 B6R0.3 C[C@H](CN)C(=O)O Q69064 [0,1,1,0,0,0|2,0,0]=4 473 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,1,1,0,0,0|1,1,0]=4 474 B6R0.3 NCC(N)C(=O)O P37494 [0,1,1,0,0,0|2,0,0]=4 475 B6R0.3 NCC(O)C(=O)O O28965 [0,1,1,0,0,0|2,0,0]=4 476 B6R0.3 NC[C@@H](O)C(=O)O 10685 [0,1,1,0,0,0|2,0,0]=4 477 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,1,1,0,0,0|2,0,0]=4 478 B6R0.4 C#CCNC(C)=O P36776 [0,1,1,0,0,0|1,0,1]=4 479 B6R0.4 CCNCC(=O)O P37534 [0,1,1,0,0,0|2,0,0]=4 480 B6R0.4 CCNCC(N)=O P36580 [0,1,1,0,0,0|2,0,0]=4 481 B6R0.4 CNCCC(=O)O P36779 [0,1,1,0,0,0|2,0,0]=4 482 B6R0.4 CNCCC(=O)O P39205 [0,1,1,0,0,0|2,0,0]=4 483 B6R0.4 CNCCC(N)=O P37896 [0,1,1,0,0,0|2,0,0]=4 484 B6R0.5 CS(=O)(=O)CCBr H-8028 [0,1,1,0,0,0|2,0,0]=4 485 B6R0.5 CS(=O)(=O)CCCl O31078 [0,1,1,0,0,0|2,0,0]=4 486 B6R0.5 CS(=O)(=O)CCN P43261 [0,1,1,0,0,0|2,0,0]=4 487 B6R1.4 CC1CCC1=O P47956 [0,1,0,0,1,0|0,0,0]=2 488 B6R1.4 CC1CCC1N P44937 [0,1,0,0,1,0|1,0,1]=4 489 B6R1.4 CC1CCC1N P47065 [0,1,0,0,1,0|1,0,1]=4 490 B6R1.4 CC1CCC1O L20058 [0,1,0,0,1,0|0,0,2]=4 491 B6R1.4 CC1OCC1=O L18036 [0,1,0,0,1,0|0,1,0]=3 492 B6R1.4 NC1CCC1F P47239 [0,1,0,0,1,0|1,0,1]=4 493 B6R1.4 NC1CCC1F Q56123 [0,1,0,0,1,0|1,0,1]=4 494 B6R1.4 NC1CCC1O P45290 [0,1,0,0,1,0|0,0,2]=4 495 B6R1.4 NC1CCC1O P48134 [0,1,0,0,1,0|0,0,2]=4 496 B6R1.4 NN1CCC1=O P48248 [0,1,0,0,1,0|1,0,0]=3 497 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,1,0,0,1,0|0,0,2]=4 498 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,1,0,0,1,0|0,0,2]=4 499 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,1,0,0,1,0|0,0,2]=4 500 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,1,0,0,1,0|0,0,2]=4 501 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,1,0,0,1,0|0,0,2]=4 502 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,1,0,0,1,0|0,0,2]=4 503 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,1,0,0,1,0|0,0,2]=4 504 B6R1.4 N[C@@H]1CNC1=O P44692 [0,1,0,0,1,0|1,0,0]=3 505 B6R1.4 N[C@@H]1CNC1=O P50494 [0,1,0,0,1,0|1,0,0]=3 506 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,1,0,0,1,0|0,0,2]=4 507 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,1,0,0,1,0|0,0,2]=4 508 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,1,0,0,1,0|0,0,2]=4 509 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,1,0,0,1,0|0,0,2]=4 510 B6R1.4 N[C@H]1CNC1=O P44185 [0,1,0,0,1,0|1,0,0]=3 511 B6R1.4 N[C@H]1CNC1=O Q52584 [0,1,0,0,1,0|1,0,0]=3 512 B6R1.4 O=C1CCC1Br P49445 [0,1,0,0,1,0|0,0,0]=2 513 B6R1.4 O=C1CCC1O P47312 [0,1,0,0,1,0|0,0,0]=2 514 B6R1.4 O=C1NCC1O P45440 [0,1,0,0,1,0|1,0,0]=3 515 B6R1.4 OC1CCC1F P46352 [0,1,0,0,1,0|0,0,2]=4 516 B6R1.4 OC1CCC1O P50009 [0,1,0,0,1,0|0,0,2]=4 517 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,1,0,0,1,0|0,0,2]=4 518 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,1,0,0,1,0|0,0,2]=4 519 B6R1.5 C=C1CC(N)C1 P48610 [0,1,0,0,1,0|1,0,0]=3 520 B6R1.5 C=C1CC(O)C1 P45320 [0,1,0,0,1,0|1,0,0]=3 521 B6R1.5 CC1CC(=O)C1 L18001 [0,1,0,0,1,0|0,0,0]=2 522 B6R1.5 CC1CC(N)C1 P44935 [0,1,0,0,1,0|1,0,1]=4 523 B6R1.5 CC1CC(N)C1 P44936 [0,1,0,0,1,0|1,0,1]=4 524 B6R1.5 CC1CC(O)C1 P44316 [0,1,0,0,1,0|0,0,2]=4 525 B6R1.5 CN1CC(=O)C1 L18430 [0,1,0,0,1,0|1,0,0]=3 526 B6R1.5 CN1CC(=O)C1 P49738 [0,1,0,0,1,0|1,0,0]=3 527 B6R1.5 CN1CC(Cl)C1 P45381 [0,1,0,0,1,0|2,0,0]=4 528 B6R1.5 CN1CC(Cl)C1 Q56193 [0,1,0,0,1,0|2,0,0]=4 529 B6R1.5 CN1CC(N)C1 C-2453 [0,1,0,0,1,0|2,0,0]=4 530 B6R1.5 CN1CC(N)C1 O28765 [0,1,0,0,1,0|2,0,0]=4 531 B6R1.5 CN1CC(O)C1 C-2454 [0,1,0,0,1,0|2,0,0]=4 532 B6R1.5 CN1CC(O)C1 C-2454-1 [0,1,0,0,1,0|2,0,0]=4 533 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,1,0,0,1,0|1,0,1]=4 534 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,1,0,0,1,0|1,0,1]=4 535 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,1,0,0,1,0|0,0,2]=4 536 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,1,0,0,1,0|1,0,1]=4 537 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,1,0,0,1,0|1,0,1]=4 538 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,1,0,0,1,0|0,0,2]=4 539 B6R1.5 NC1CC(=O)C1 C-3677 [0,1,0,0,1,0|0,0,0]=2 540 B6R1.5 NC1CC(=O)C1 P44186 [0,1,0,0,1,0|0,0,0]=2 541 B6R1.5 NC1CC(F)C1 C-3436 [0,1,0,0,1,0|1,0,1]=4 542 B6R1.5 NC1CC(F)C1 C-3436-1 [0,1,0,0,1,0|1,0,1]=4 543 B6R1.5 NC1CC(N)C1 G-7909 [0,1,0,0,1,0|1,0,1]=4 544 B6R1.5 NC1CC(N)C1 P48839 [0,1,0,0,1,0|1,0,1]=4 545 B6R1.5 NC1CC(O)C1 C-3623 [0,1,0,0,1,0|0,0,2]=4 546 B6R1.5 NC1CC(O)C1 L13650 [0,1,0,0,1,0|0,0,2]=4 547 B6R1.5 NN1CC(O)C1 L18024 [0,1,0,0,1,0|2,0,0]=4 548 B6R1.5 NN1CC(O)C1 P44948 [0,1,0,0,1,0|2,0,0]=4 549 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [0,1,0,0,1,0|1,0,1]=4 550 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [0,1,0,0,1,0|1,0,1]=4 551 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [0,1,0,0,1,0|1,0,1]=4 552 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [0,1,0,0,1,0|1,0,1]=4 553 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [0,1,0,0,1,0|1,0,1]=4 554 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [0,1,0,0,1,0|0,0,2]=4 555 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [0,1,0,0,1,0|0,0,2]=4 556 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [0,1,0,0,1,0|1,0,1]=4 557 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [0,1,0,0,1,0|1,0,1]=4 558 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [0,1,0,0,1,0|1,0,1]=4 559 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [0,1,0,0,1,0|1,0,1]=4 560 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [0,1,0,0,1,0|0,0,2]=4 561 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [0,1,0,0,1,0|0,0,2]=4 562 B6R1.5 O=C1CC(Br)C1 G-6311 [0,1,0,0,1,0|0,0,0]=2 563 B6R1.5 O=C1CC(F)C1 H-8760 [0,1,0,0,1,0|0,0,0]=2 564 B6R1.5 O=C1CC(O)C1 F-4733 [0,1,0,0,1,0|0,0,0]=2 565 B6R1.5 OC1CC(F)C1 I-9823 [0,1,0,0,1,0|0,0,2]=4 566 B6R1.5 OC1CC(O)C1 P45378 [0,1,0,0,1,0|0,0,2]=4 567 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [0,1,0,0,1,0|0,0,2]=4 568 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [0,1,0,0,1,0|0,0,2]=4 569 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [0,1,0,0,1,0|0,0,2]=4 570 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [0,1,0,0,1,0|0,0,2]=4 571 B6R1.6 C#CC1CCC1 P45543 [0,1,0,0,1,0|1,0,1]=4 572 B6R1.6 CNC1CCC1 O34360 [0,1,0,0,1,0|1,0,1]=4 573 B6R1.6 CNC1CCC1 P45733 [0,1,0,0,1,0|1,0,1]=4 574 B6R1.6 ClCC1CCC1 M23070 [0,1,0,0,1,0|1,0,1]=4 575 B6R1.6 ICC1CCC1 H-8778 [0,1,0,0,1,0|1,0,1]=4 576 B6R1.6 N#CC1CCC1 G-7033 [0,1,0,0,1,0|1,0,1]=4 577 B6R1.6 N#CC1CSC1 Q64307 [0,1,0,0,1,0|1,0,1]=4 578 B6R1.6 NCC1CCC1 C-2308 [0,1,0,0,1,0|1,0,1]=4 579 B6R1.6 NCC1CCC1 L13986 [0,1,0,0,1,0|1,0,1]=4 580 B6R1.6 NCC1CCS1 Q58811 [0,1,0,0,1,0|1,0,1]=4 581 B6R1.6 NCC1CSC1 G-7410 [0,1,0,0,1,0|1,0,1]=4 582 B6R1.6 NCC1CSC1 H-8020 [0,1,0,0,1,0|1,0,1]=4 583 B6R1.6 NNC1CCC1 O30528 [0,1,0,0,1,0|1,0,1]=4 584 B6R1.6 NNC1CCC1 O31125 [0,1,0,0,1,0|1,0,1]=4 585 B6R1.6 NNC1CCC1 P44553 [0,1,0,0,1,0|1,0,1]=4 586 B6R1.6 NNC1CSC1 O30925 [0,1,0,0,1,0|1,0,1]=4 587 B6R1.6 NNC1CSC1 Q59094 [0,1,0,0,1,0|1,0,1]=4 588 B6R1.6 O=CC1COC1 L21547 [0,1,0,0,1,0|0,1,1]=4 589 B6R1.6 OCC1CSC1 H-8021 [0,1,0,0,1,0|0,0,2]=4 590 B6R1.6 ON=C1CCC1 P45801 [0,1,0,0,1,0|0,0,1]=3 591 B6R1.10 CC1(Br)CCC1 P45156 [0,1,0,0,1,0|1,0,1]=4 592 B6R1.10 CC1(I)CCC1 P44701 [0,1,0,0,1,0|1,0,1]=4 593 B6R1.10 CC1(N)CCC1 L13595 [0,1,0,0,1,0|1,0,1]=4 594 B6R1.10 CC1(N)CCC1 P45646 [0,1,0,0,1,0|1,0,1]=4 595 B6R1.10 CC1(N)CSC1 L14368 [0,1,0,0,1,0|1,0,1]=4 596 B6R1.10 CC1(N)CSC1 Q55807 [0,1,0,0,1,0|1,0,1]=4 597 B6R1.10 CC1(O)CCC1 P39996 [0,1,0,0,1,0|0,0,2]=4 598 B6R1.10 CC1(O)CSC1 L14102 [0,1,0,0,1,0|0,0,2]=4 599 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.2 BrCC1=CCOCC1 Q54593 [0,1,0,0,0,1|1,1,0]=4 601 B8R1.2 BrCC1CCSCC1 O29933 [0,1,0,0,0,1|1,0,1]=4 602 B8R1.2 C#CC1CCSCC1 O32975 [0,1,0,0,0,1|1,0,1]=4 603 B8R1.2 CNC1CCCSC1 Q57932 [0,1,0,0,0,1|1,0,1]=4 604 B8R1.2 CNC1CCCSC1 Q57933 [0,1,0,0,0,1|1,0,1]=4 605 B8R1.2 COC1=CCOCC1 G-7495 [0,1,0,0,0,1|0,1,1]=4 606 B8R1.2 N#CC1=CCOCC1 O33550 [0,1,0,0,0,1|1,1,0]=4 607 B8R1.2 N#CC1CCSCC1 L14051 [0,1,0,0,0,1|1,0,1]=4 608 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.2 NCC1=CCOCC1 Q54594 [0,1,0,0,0,1|1,1,0]=4 610 B8R1.2 NCC1CCCSC1 Q57994 [0,1,0,0,0,1|1,0,1]=4 611 B8R1.2 NCC1CCSCC1 I-9299 [0,1,0,0,0,1|1,0,1]=4 612 B8R1.2 NCC1CCSCC1 O30354 [0,1,0,0,0,1|1,0,1]=4 613 B8R1.2 NNC1CCSCC1 O31250 [0,1,0,0,0,1|1,0,1]=4 614 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,0,0,1|1,0,1]=4 615 B8R1.2 O=CC1CCNCC1 O30562 [0,1,0,0,0,1|1,0,1]=4 616 B8R1.2 O=CC1CCOCC1 C-3265 [0,1,0,0,0,1|0,1,1]=4 617 B8R1.2 O=CC1CCSCC1 O32574 [0,1,0,0,0,1|0,0,1]=3 618 B8R1.2 OCC1=CCOCC1 Q54592 [0,1,0,0,0,1|0,1,1]=4 619 B8R1.2 OCC1CCCSC1 Q57993 [0,1,0,0,0,1|0,0,2]=4 620 B8R1.2 OCC1CCSCC1 O31147 [0,1,0,0,0,1|0,0,2]=4 621 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,1,0,0,0,1|1,0,0]=3 622 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,0,0,1|1,0,1]=4 624 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,0,0,1|1,0,0]=3 625 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,0,0,1|1,0,0]=3 626 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,0,0,1|1,0,0]=3 627 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,0,0,1|1,0,0]=3 628 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,0,0,1|1,0,0]=3 629 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,0,0,1|1,0,0]=3 630 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,0,0,1|1,0,0]=3 631 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,0,0,1|1,0,0]=3 632 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,0,0,1|1,0,0]=3 633 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,0,0,1|1,0,0]=3 634 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,0,0,1|1,0,0]=3 637 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,0,0,1|1,0,0]=3 638 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,1,0,0,0,1|1,0,0]=3 639 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,1,0,0,0,1|0,1,0]=3 640 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,0,0,1|1,0,0]=3 641 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,0,0,1|1,0,0]=3 642 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,1,0,0,0,1|1,0,0]=3 643 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,0,0,1|1,0,0]=3 644 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,0,0,1|1,1,0]=4 646 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,0,0,1|1,0,0]=3 647 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,0,0,1|1,0,0]=3 648 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,0,0,1|0,1,0]=3 649 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,0,0,1|1,0,0]=3 650 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,0,0,1|1,0,0]=3 652 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,0,0,1|1,0,0]=3 653 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,0,0,1|0,1,0]=3 654 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,0,0,1|1,0,0]=3 655 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,0,0,1|1,0,0]=3 656 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,0,0,1|1,0,0]=3 657 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,0,0,1|1,0,0]=3 658 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,0,0,1|0,1,0]=3 659 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,0,0,1|1,0,0]=3 660 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,0,0,1|1,0,0]=3 661 B8R1.4 NC1=CC(=O)COC1 O33523 [0,1,0,0,0,1|0,1,1]=4 662 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,0,0,1|1,0,0]=3 663 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,0,0,1|1,0,0]=3 664 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,0,0,1|0,1,0]=3 665 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,0,0,1|0,1,0]=3 666 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,0,0,1|1,0,0]=3 667 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,0,0,1|1,0,0]=3 668 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,0,0,1|1,0,0]=3 669 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,0,0,1|1,0,0]=3 671 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,0,0,1|1,0,0]=3 672 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,0,0,1|1,0,0]=3 673 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,0,0,1|0,1,0]=3 674 B8R1.4 O=C1CNCC(=O)N1 L14058 [0,1,0,0,0,1|1,0,1]=4 675 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,1,0,0,0,1|0,1,0]=3 676 B8R1.4 O=C1COCC(=O)N1 P38066 [0,1,0,0,0,1|0,1,1]=4 677 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,0,0,1|0,1,0]=3 678 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,0,0,1|0,1,0]=3 679 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,1,0,0,0,1|0,0,0]=2 680 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.4 OC1C=C(Br)COC1 Q54599 [0,1,0,0,0,1|1,1,0]=4 682 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,0,0,1|1,0,0]=3 683 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,0,0,1|1,0,0]=3 684 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,0,0,1|0,1,0]=3 686 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,0,0,1|1,0,0]=3 687 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,0,0,1|1,0,0]=3 688 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,0,0,1|1,0,0]=3 689 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,0,0,1|1,0,0]=3 690 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,0,0,1|1,0,0]=3 691 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,0,0,1|1,0,0]=3 693 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,0,0,1|1,0,0]=3 695 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,0,0,1|1,0,0]=3 697 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,0,0,1|1,0,1]=4 698 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,0,0,1|1,0,0]=3 699 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,0,0,1|0,1,0]=3 702 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,0,0,1|0,1,0]=3 703 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,0,0,1|0,1,0]=3 704 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,0,0,1|0,1,0]=3 705 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,0,0,1|1,0,0]=3 706 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,0,0,1|1,0,0]=3 707 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,0,0,1|1,0,0]=3 708 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,0,0,1|1,0,0]=3 709 B8R1.72 CC1(N)CCSCC1 Q61458 [0,1,0,0,0,1|1,0,1]=4 710 B8R1.72 N=S1(=O)CCNCC1 Q69962 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.72 O=S1(=O)CCNCC1 G-5351 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,2,0,0,0,0|1,0,0]=3 713 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,2,0,0,0,0|2,0,0]=4 714 B8R1.1 CNC1CNC(=O)C1 L19088 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,2,0,0,0,0|1,0,0]=3 718 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,2,0,0,0,0|1,0,0]=3 719 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,2,0,0,0,0|2,0,0]=4 721 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,2,0,0,0,0|2,0,0]=4 724 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.1 O=C1CC(CO)CN1 M22864 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,2,0,0,0,0|1,0,0]=3 731 B8R1.1 O=C1CCC(CO)N1 M23573 [0,2,0,0,0,0|2,0,0]=4 732 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,2,0,0,0,0|1,0,0]=3 733 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,2,0,0,0,0|2,0,0]=4 734 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,2,0,0,0,0|2,0,0]=4 735 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,2,0,0,0,0|1,0,0]=3 736 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,2,0,0,0,0|2,0,0]=4 737 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,2,0,0,0,0|1,0,0]=3 738 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,2,0,0,0,0|1,0,0]=3 740 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,2,0,0,0,0|1,0,1]=4 741 B8R1.7 CC(=O)C1CCNC1 O31491 [0,2,0,0,0,0|1,0,1]=4 742 B8R1.7 NC(=O)C1CCCC1 P38833 [0,2,0,0,0,0|1,0,1]=4 743 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,2,0,0,0,0|1,0,1]=4 744 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,2,0,0,0,0|0,1,1]=4 745 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,2,0,0,0,0|1,0,1]=4 746 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,2,0,0,0,0|1,0,1]=4 747 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,2,0,0,0,0|1,0,1]=4 748 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,2,0,0,0,0|1,0,1]=4 749 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,2,0,0,0,0|0,1,1]=4 750 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,2,0,0,0,0|1,0,1]=4 751 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,2,0,0,0,0|0,1,1]=4 752 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,2,0,0,0,0|1,0,1]=4 753 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,2,0,0,0,0|1,0,1]=4 754 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,2,0,0,0,0|0,1,1]=4 755 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,2,0,0,0,0|1,0,1]=4 756 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,2,0,0,0,0|1,0,1]=4 757 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,2,0,0,0,0|0,1,1]=4 758 B8R1.7 O=[N+]([O-])C1CCNC1 Q64792 [0,2,0,0,0,0|1,0,1]=4 759 B8R1.8 O=CCC1CCCC1 P37401 [0,2,0,0,0,0|1,0,1]=4 760 B8R1.8 O=CCN1CCCC1 P35023 [0,2,0,0,0,0|2,0,0]=4 761 B8R1.8 [N-]=[N+]=NC1CCSC1 L19847 [0,2,0,0,0,0|1,0,1]=4 762 B8R1.11 CNC1CCNC1=O L20781 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.11 N#CC1COCC1=O L22433 [0,2,0,0,0,0|0,1,0]=3 764 B8R1.11 N#CC1CSCC1=O L13982 [0,2,0,0,0,0|0,0,0]=2 765 B8R1.11 O=C1NCCC1CO L13115 [0,2,0,0,0,0|2,0,0]=4 766 B8R1.52 CC1(C=O)CCCC1 Q57127 [0,2,0,0,0,0|1,0,1]=4 767 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,2,0,0,0,0|1,0,1]=4 768 B8R1.18 CN1CC(N)CC1=O I-9643 [0,2,0,0,0,0|2,0,0]=4 769 B8R1.18 CN1CC(O)CC1=O Q59318 [0,2,0,0,0,0|2,0,0]=4 770 B8R1.50 CC1C(=O)CCN1C Q52697 [0,2,0,0,0,0|1,0,0]=3 771 B8R1.50 CC1CCN(C)C1=O O30589 [0,2,0,0,0,0|2,0,0]=4 772 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,2,0,0,0,0|1,0,1]=4 773 B8R1.50 CN1CCC(O)C1=O Q62094 [0,2,0,0,0,0|2,0,0]=4 774 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,2,0,0,0,0|2,0,0]=4 777 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,2,0,0,0,0|2,0,0]=4 778 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,2,0,0,0,0|2,0,0]=4 780 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,2,0,0,0,0|1,0,1]=4 781 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,2,0,0,0,0|1,0,1]=4 782 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,2,0,0,0,0|1,0,0]=3 783 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,2,0,0,0,0|1,0,0]=3 784 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,2,0,0,0,0|1,1,0]=4 785 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,2,0,0,0,0|1,0,0]=3 786 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,2,0,0,0,0|2,0,0]=4 787 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,2,0,0,0,0|2,0,0]=4 789 B8R1.51 NC1CCS(=O)(=O)C1 M15812 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,2,0,0,0,0|1,0,0]=3 791 B8R1.51 O=C1CCS(=O)(=O)C1 P40591 [0,2,0,0,0,0|0,0,1]=3 792 B8R1.51 O=S1(=O)CCC(O)C1 P41760 [0,2,0,0,0,0|2,0,0]=4 793 B8R1.19 CC1(C)CCCC1=O L21296 [0,2,0,0,0,0|1,0,0]=3 794 B8R1.19 CC1(C)CCNC1=O O30964 [0,2,0,0,0,0|2,0,0]=4 795 B8R1.19 CC1(C)OCCC1=O Q63498 [0,2,0,0,0,0|0,1,0]=3 796 B8R1.19 O=C1NCCC1(F)F L14522 [0,2,0,0,0,0|2,0,0]=4 797 B6R1.1 C1=CCNCC1 C-2421 [0,0,1,1,0,0|2,0,0]=4 798 B6R1.1 C1=CCOCC1 G-7030 [0,0,1,1,0,0|1,1,0]=4 799 B6R2.4 C1CC2OC12 Q57471 [1,0,0,1,0,0|0,1,1]=4 800 B6R2.4 C1NC2CC12 Q58520 [1,0,0,1,0,0|1,0,1]=4 801 B8R2.23 C1SCC2CC1N2 P47949 [0,0,0,1,0,1|1,0,1]=4 802 B8R2.34 C1SC2CNC1C2 L20964 [0,0,0,1,0,1|1,0,1]=4 803 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49104 [0,0,0,1,0,1|1,0,1]=4 804 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49118 [0,0,0,1,0,1|1,0,1]=4 805 B8R2.34 C1S[C@H]2CN[C@@H]1C2 P46737 [0,0,0,1,0,1|1,0,1]=4 806 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,1,0,1|1,0,0]=3 807 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,1,0,1|1,0,0]=3 808 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,1,0,1|1,0,0]=3 809 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,1,0,1|1,0,0]=3 810 B8R2.4 O=C1CC2CC1C2 P45525 [0,1,0,1,0,0|1,0,0]=3 811 B4R1.1 C1CNC1 C-3559 [1,0,0,0,1,0|1,0,0]=3 812 B4R1.2 OC1CC1 L13591 [0,0,0,0,2,0|0,0,2]=4 813 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,0,0,2|1,0,0]=3 814 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,0,0,2|1,0,0]=3 815 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,0,0,2|1,0,0]=3 816 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,0,0,2|1,0,0]=3