0 B7R1.2 CC1=NC(=O)NN1 O30153 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1=NC(C)CO1 M15289 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1CC(O)CN1 Q59204 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 CC1CC(O)CN1 Q59205 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.2 CN1C=CC(=O)N1 Q61559 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 CN1CCC(Br)C1 Q53645 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CN1CCC(N)C1 C-2205 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CN1CCC(N)C1 O28463 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CN1CCC(O)C1 C-3294 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.2 N=C1CSC(=O)N1 L20743 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.2 NC1=CC(=O)CC1 O29931 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.2 NC1CCC(F)C1 Q54470 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 NC1CCC(F)C1 Q54471 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 NC1CCC(O)C1 G-5810 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,0,0,0,0,0|2,0,2]=4 55 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,0,0,0,0,0|2,0,2]=4 56 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,0,0,0,0,0|2,0,2]=4 57 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,0,0,0,0,0|2,0,2]=4 60 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,0,0,0|3,0,0]=3 61 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.2 O=C1C=CC(O)C1 O30118 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,0,0,0,0,0|2,0,2]=4 64 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,0,0,0|2,0,1]=3 66 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,0,0,0|2,0,0]=2 67 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,0,0,0|2,0,0]=2 68 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,0,0,0|2,0,0]=2 69 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,0,0,0|3,0,0]=3 72 B7R1.2 OC1CCC(F)C1 Q55723 [0,0,0,0,0,0|2,0,2]=4 73 B7R1.2 OC1CCC(O)C1 L14091 [0,0,0,0,0,0|2,0,2]=4 74 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,0,0,0,0,0|2,0,2]=4 75 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,0,0,0,0,0|2,0,2]=4 76 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,0,0,0,0,0|2,0,2]=4 77 B7R1.2 S=C1CCC(=S)N1 M15166 [0,0,0,0,0,0|2,1,1]=4 78 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 CC1CCCN1 Q61737 [1,0,0,0,0,0|1,0,1]=3 80 B6R1.2 CC1CCNC1 M22664 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 CN1CC=CC1 Q61507 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,0,0,0|1,0,1]=3 83 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 ClC1CCNC1 P42791 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 FC1=CCNC1 Q63558 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 FC1CCNC1 A-349 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 FC1CCNC1 C-2208 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 FC1CCNC1 P51370 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 F[C@@H]1CCNC1 O33274 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 F[C@H]1CCNC1 A-348 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 F[C@H]1CCNC1 L22005 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 IC1=COCC1 Q53484 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 IC1CCCC1 I-9679 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 IC1CCOC1 C-3308 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.2 NC1CC=CC1 F-4367 [1,0,0,0,0,0|2,0,1]=4 99 B6R1.2 NC1CC=CC1 Q57040 [1,0,0,0,0,0|2,0,1]=4 100 B6R1.2 NC1CCOC1 B-1171 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 NC1CCOC1 P39935 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 NN1CCCC1 M23462 [1,0,0,0,0,0|3,0,0]=4 103 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 O=C1CCNC1 S72535 [1,0,0,0,0,0|2,0,0]=3 109 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,0,0,0|2,0,0]=3 110 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,0,0,0|2,0,0]=3 111 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,0,0,0|2,0,0]=3 112 B6R1.2 OC1CCNC1 G-5959 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 OC1CCNC1 I-9548 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 OC1CCOC1 C-3328 [1,0,0,0,0,0|3,0,0]=4 115 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 S=C1NCCO1 O31137 [1,0,0,0,0,0|1,1,0]=3 118 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.1 CCC1CCC(C)N1 Q59319 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.1 CN1CCC(CO)C1 O34373 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 CNC1CCN(C)C1 G-5265 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 CNC1CNC(=O)C1 L19088 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 CN[C@@H]1CCN(C)C1 I-9892 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 CN[C@H]1CCN(C)C1 I-9891 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,0,0,0|1,0,2]=4 135 B8R1.1 COC1CCN(N)C1 O29317 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,1,0,0,0,0|1,0,2]=4 147 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.1 NCC1CCC(F)C1 Q52913 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.1 NCC1COC(=O)N1 L13942 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,0,0,0|1,0,2]=4 160 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,0,0,0|1,0,0]=2 165 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,1,0,0,0,0|1,0,0]=2 177 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,0,0,0|0,0,0]=1 180 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.1 OCC1CCC(F)C1 Q52910 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.18 CN1CC(N)CC1=O I-9643 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.18 CN1CC(O)CC1=O Q59318 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.50 CC1CCN(C)C1=O O30589 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,0,0,0|2,0,0]=3 200 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,0,0,0|1,0,2]=4 201 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,0,0,0|1,0,2]=4 202 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,0,0,0|1,0,0]=2 210 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.51 CC1(C)COC(=S)N1 O31778 [0,1,0,0,0,0|2,1,0]=4 214 B8R1.51 CC1(O)CCC(N)C1 P50831 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.51 CC1(O)CCC(N)C1 Q56519 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.51 C[C@@H]1COS(=O)(=O)O1 O34489 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.51 C[C@H]1COS(=O)(=O)O1 O34412 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.51 NC1CCS(=O)(=O)C1 M15812 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.51 O=C1CCS(=O)(=O)C1 P40591 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.51 O=S1(=O)CCC(O)C1 P41760 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.1 CCC(=O)CC#N P38761 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.1 CCNC(=O)CN P39222 [0,0,1,0,0,0|2,0,0]=3 226 B6R0.1 CCNC(=O)CO O31312 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.1 CCNC(=O)NC M15284 [0,0,1,0,0,0|2,0,0]=3 228 B6R0.1 CCOC(=N)CCl P38507 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.1 CNC(=O)CCCl P38167 [0,0,1,0,0,0|3,0,0]=4 230 B6R0.1 CNC(=O)CCN P37692 [0,0,1,0,0,0|3,0,0]=4 231 B6R0.1 CNCC(=O)NC P37691 [0,0,1,0,0,0|3,0,0]=4 232 B6R0.1 CNCC(=O)NC P38046 [0,0,1,0,0,0|3,0,0]=4 233 B6R0.2 CC(=O)NC(C)C P50955 [0,0,1,0,0,0|1,0,0]=2 234 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,0,1,0,0,0|1,0,2]=4 235 B6R0.2 CC(O)CC(=O)O P38963 [0,0,1,0,0,0|3,0,0]=4 236 B6R0.2 CN(C)CC(N)=O P36935 [0,0,1,0,0,0|3,0,0]=4 237 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,0,1,0,0,0|3,0,0]=4 238 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,0,1,0,0,0|3,0,0]=4 239 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,1,0,0,0|3,0,0]=4 240 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,0,1,0,0,0|3,0,0]=4 241 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,1,0,0,0|3,0,0]=4 242 B6R0.4 C#CCCC(C)O L18987 [0,0,1,0,0,0|1,0,1]=3 243 B6R0.4 CC(Br)CCC#N L20214 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.4 CC(C)CCON L20789 [0,0,1,0,0,0|3,0,0]=4 245 B6R0.4 CCNCC(=O)O P37534 [0,0,1,0,0,0|1,0,0]=2 246 B6R0.4 CCNCC(N)=O P36580 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.4 CNCCC(=O)O P36779 [0,0,1,0,0,0|1,0,0]=2 248 B6R0.4 CNCCC(=O)O P39205 [0,0,1,0,0,0|1,0,0]=2 249 B6R0.4 CNCCC(C)O P38146 [0,0,1,0,0,0|2,0,0]=3 250 B6R0.4 CNCCC(N)=O P37896 [0,0,1,0,0,0|2,0,0]=3 251 B6R0.4 O=C(O)\C=C\CBr P41388 [0,0,1,0,0,0|1,0,2]=4 252 B6R0.4 O=CNCC(=O)O P39379 [0,0,1,0,0,0|2,0,1]=4 253 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [0,0,1,0,0,0|3,0,0]=4 254 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,1,0,0|1,0,0]=2 255 B8R2.7 NC12CCC(C1)C2 P44925 [0,0,0,1,0,0|2,0,1]=4 256 B8R2.18 NC1CC2CC2C1 F-4590 [0,0,0,1,0,0|2,0,1]=4 257 B8R2.18 NC1CC2CC2C1 L22469 [0,0,0,1,0,0|2,0,1]=4 258 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 Q55517 [0,0,0,1,0,0|2,0,1]=4 259 B8R2.18 OC1CC2CC2C1 P44932 [0,0,0,1,0,0|1,0,2]=4 260 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [0,0,0,1,0,0|1,0,2]=4 261 B8R2.34 C1CC2CC1CN2 L21596 [0,0,0,1,0,0|2,0,1]=4 262 B8R2.34 C1CC2CC1CN2 P45371 [0,0,0,1,0,0|2,0,1]=4 263 B8R2.34 C1CC2CCC1N2 C-3483 [0,0,0,1,0,0|2,0,1]=4 264 B8R2.34 C1CC2CCC1N2 G-7486 [0,0,0,1,0,0|2,0,1]=4 265 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,0,0,1,0,0|2,0,1]=4 266 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,0,0,1,0,0|2,0,1]=4 267 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,0,0,1,0,0|2,0,1]=4 268 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,0,0,1,0,0|2,0,1]=4 269 B8R2.38 NC1CCC2CC12 Q56246 [0,0,0,1,0,0|2,0,1]=4 270 B8R2.38 NC1CCC2CC12 Q56247 [0,0,0,1,0,0|2,0,1]=4 271 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,1,0,0|1,0,0]=2 272 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,1,0,0|1,0,0]=2 273 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,1,0,0|2,0,0]=3 274 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,1,0,0|2,0,0]=3 275 B6R1.4 CC1CCC1=O P47956 [0,0,0,0,1,0|0,0,0]=1 276 B6R1.4 CC1CCC1N P44937 [0,0,0,0,1,0|1,0,1]=3 277 B6R1.4 CC1CCC1N P47065 [0,0,0,0,1,0|1,0,1]=3 278 B6R1.4 CC1CCC1O L20058 [0,0,0,0,1,0|0,0,2]=3 279 B6R1.4 CC1CNC1C P45190 [0,0,0,0,1,0|2,0,1]=4 280 B6R1.4 CC1CNC1C P46961 [0,0,0,0,1,0|2,0,1]=4 281 B6R1.4 CC1NCC1F P47439 [0,0,0,0,1,0|2,0,1]=4 282 B6R1.4 CC1NCC1F P47451 [0,0,0,0,1,0|2,0,1]=4 283 B6R1.4 CC1NCC1O P44849 [0,0,0,0,1,0|1,0,2]=4 284 B6R1.4 CC1NCC1O P44851 [0,0,0,0,1,0|1,0,2]=4 285 B6R1.4 CC1OCC1=O L18036 [0,0,0,0,1,0|1,0,0]=2 286 B6R1.4 CC1OCC1Br Q56171 [0,0,0,0,1,0|2,0,1]=4 287 B6R1.4 CC1OCC1I Q56172 [0,0,0,0,1,0|2,0,1]=4 288 B6R1.4 CC1OCC1N Q56170 [0,0,0,0,1,0|2,0,1]=4 289 B6R1.4 CC1OCC1O L18037 [0,0,0,0,1,0|1,0,2]=4 290 B6R1.4 C[C@@H]1NCC1F P50109 [0,0,0,0,1,0|2,0,1]=4 291 B6R1.4 C[C@@H]1NCC1O P47321 [0,0,0,0,1,0|1,0,2]=4 292 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [0,0,0,0,1,0|2,0,1]=4 293 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [0,0,0,0,1,0|2,0,1]=4 294 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,0,0,0,1,0|1,0,2]=4 295 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,0,0,0,1,0|1,0,2]=4 296 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,0,0,0,1,0|1,0,2]=4 297 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,0,0,0,1,0|1,0,2]=4 298 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [0,0,0,0,1,0|2,0,1]=4 299 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [0,0,0,0,1,0|2,0,1]=4 300 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,0,0,0,1,0|1,0,2]=4 301 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,0,0,0,1,0|1,0,2]=4 302 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,0,0,0,1,0|1,0,2]=4 303 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,0,0,1,0|1,0,2]=4 304 B6R1.4 C[C@H]1NCC1F P50084 [0,0,0,0,1,0|2,0,1]=4 305 B6R1.4 C[C@H]1NCC1O P50087 [0,0,0,0,1,0|1,0,2]=4 306 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [0,0,0,0,1,0|2,0,1]=4 307 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,0,0,0,1,0|1,0,2]=4 308 B6R1.4 C[C@H]1NC[C@H]1F P50081 [0,0,0,0,1,0|2,0,1]=4 309 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,0,0,0,1,0|1,0,2]=4 310 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,0,0,0,1,0|1,0,2]=4 311 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,0,0,1,0|1,0,2]=4 312 B6R1.4 NC1CCC1F P47239 [0,0,0,0,1,0|2,0,1]=4 313 B6R1.4 NC1CCC1F Q56123 [0,0,0,0,1,0|2,0,1]=4 314 B6R1.4 NC1CCC1O P45290 [0,0,0,0,1,0|1,0,2]=4 315 B6R1.4 NC1CCC1O P48134 [0,0,0,0,1,0|1,0,2]=4 316 B6R1.4 NN1CCC1=O P48248 [0,0,0,0,1,0|2,0,0]=3 317 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,0,0,0,1,0|1,0,2]=4 318 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,0,0,0,1,0|1,0,2]=4 319 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,0,0,0,1,0|1,0,2]=4 320 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,0,0,0,1,0|1,0,2]=4 321 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,0,0,0,1,0|1,0,2]=4 322 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,0,0,0,1,0|1,0,2]=4 323 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,0,0,0,1,0|1,0,2]=4 324 B6R1.4 N[C@@H]1CNC1=O P44692 [0,0,0,0,1,0|2,0,0]=3 325 B6R1.4 N[C@@H]1CNC1=O P50494 [0,0,0,0,1,0|2,0,0]=3 326 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,0,0,0,1,0|1,0,2]=4 327 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,0,0,0,1,0|1,0,2]=4 328 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,0,0,0,1,0|1,0,2]=4 329 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,0,0,0,1,0|1,0,2]=4 330 B6R1.4 N[C@H]1CNC1=O P44185 [0,0,0,0,1,0|2,0,0]=3 331 B6R1.4 N[C@H]1CNC1=O Q52584 [0,0,0,0,1,0|2,0,0]=3 332 B6R1.4 O=C1CCC1Br P49445 [0,0,0,0,1,0|1,0,0]=2 333 B6R1.4 O=C1CCC1O P47312 [0,0,0,0,1,0|1,0,0]=2 334 B6R1.4 O=C1NCC1O P45440 [0,0,0,0,1,0|2,0,0]=3 335 B6R1.4 OC1CCC1F P46352 [0,0,0,0,1,0|1,0,2]=4 336 B6R1.4 OC1CCC1O P50009 [0,0,0,0,1,0|1,0,2]=4 337 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,0,0,0,1,0|1,0,2]=4 338 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,0,0,0,1,0|1,0,2]=4 339 B6R1.5 C=C1CC(N)C1 P48610 [0,0,0,0,1,0|3,0,0]=4 340 B6R1.5 C=C1CC(O)C1 P45320 [0,0,0,0,1,0|3,0,0]=4 341 B6R1.5 CC1CC(=O)C1 L18001 [0,0,0,0,1,0|1,0,0]=2 342 B6R1.5 CC1CC(C)N1 P47027 [0,0,0,0,1,0|2,0,1]=4 343 B6R1.5 CC1CC(C)N1 P48835 [0,0,0,0,1,0|2,0,1]=4 344 B6R1.5 CC1CC(N)C1 P44935 [0,0,0,0,1,0|2,0,1]=4 345 B6R1.5 CC1CC(N)C1 P44936 [0,0,0,0,1,0|2,0,1]=4 346 B6R1.5 CC1CC(O)C1 P44316 [0,0,0,0,1,0|1,0,2]=4 347 B6R1.5 CN1CC(=O)C1 L18430 [0,0,0,0,1,0|2,0,0]=3 348 B6R1.5 CN1CC(=O)C1 P49738 [0,0,0,0,1,0|2,0,0]=3 349 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [0,0,0,0,1,0|2,0,1]=4 350 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [0,0,0,0,1,0|2,0,1]=4 351 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,0,0,0,1,0|2,0,1]=4 352 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,0,0,0,1,0|2,0,1]=4 353 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,0,0,0,1,0|1,0,2]=4 354 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [0,0,0,0,1,0|2,0,1]=4 355 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,0,0,0,1,0|2,0,1]=4 356 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,0,0,0,1,0|2,0,1]=4 357 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,0,0,0,1,0|1,0,2]=4 358 B6R1.5 NC1CC(=O)C1 C-3677 [0,0,0,0,1,0|2,0,0]=3 359 B6R1.5 NC1CC(=O)C1 P44186 [0,0,0,0,1,0|2,0,0]=3 360 B6R1.5 O=C1CC(Br)C1 G-6311 [0,0,0,0,1,0|2,0,0]=3 361 B6R1.5 O=C1CC(F)C1 H-8760 [0,0,0,0,1,0|2,0,0]=3 362 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,0,1,0|2,0,0]=3 363 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,0,0,1|1,0,2]=4 364 B8R1.3 C=C1CCC(N)CC1 L19013 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,0,0,1|1,0,0]=2 366 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,0,0,1|1,0,0]=2 367 B8R1.3 CC1CCC(F)CN1 Q64642 [0,0,0,0,0,1|2,0,1]=4 368 B8R1.3 CC1CCC(O)CN1 Q61256 [0,0,0,0,0,1|1,0,2]=4 369 B8R1.3 CC1CCC(O)CN1 Q61257 [0,0,0,0,0,1|1,0,2]=4 370 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,0,0,1|2,0,0]=3 371 B8R1.3 CC1COC(C)CN1 P42779 [0,0,0,0,0,1|2,0,1]=4 372 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,0,0,1|1,0,0]=2 373 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,0,0,1|1,0,0]=2 374 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,0,0,0,0,1|1,0,2]=4 375 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,0,0,0,0,1|1,0,2]=4 376 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,0,0,0,0,1|1,0,2]=4 377 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,0,0,0,0,1|1,0,2]=4 378 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,0,0,1|2,0,0]=3 379 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,0,0,0,0,1|2,0,1]=4 380 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,0,0,0,0,1|2,0,1]=4 381 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,0,0,1|1,0,0]=2 382 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,0,0,1|1,0,0]=2 383 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,0,0,0,0,1|1,0,2]=4 384 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,0,0,0,0,1|1,0,2]=4 385 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,0,0,0,0,1|2,0,1]=4 386 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,0,0,0,0,1|1,0,2]=4 387 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,0,0,0,0,1|1,0,2]=4 388 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,0,0,1|2,0,0]=3 389 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,0,0,0,0,1|2,0,1]=4 391 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,0,0,0,0,1|2,0,1]=4 393 B8R1.3 NC1CCC(=O)CC1 P36686 [0,0,0,0,0,1|2,0,0]=3 394 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,0,0,1|2,0,0]=3 395 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,0,0,1|2,0,0]=3 398 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,0,0,1|2,0,0]=3 399 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,0,0,1|1,0,1]=3 401 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,0,0,0,0,1|2,0,0]=3 402 B8R1.3 O=C1CCC(F)CC1 L21631 [0,0,0,0,0,1|2,0,0]=3 403 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,0,0,1|2,0,0]=3 404 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,0,0,1|2,0,0]=3 405 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,0,0,1|2,0,0]=3 407 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,0,0,1|1,0,1]=3 408 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,0,0,1|1,0,0]=2 409 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,0,0,1|1,0,0]=2 410 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,0,0,1|2,0,1]=4 411 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,0,0,1|2,0,1]=4 412 B8R1.4 CC1CC(O)CCN1 G-7300 [0,0,0,0,0,1|1,0,2]=4 413 B8R1.4 CC1CC(O)CCN1 L21311 [0,0,0,0,0,1|1,0,2]=4 414 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,0,0,1|1,0,2]=4 415 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,0,0,1|1,0,0]=2 416 B8R1.4 CC1CNCC(F)C1 Q54411 [0,0,0,0,0,1|2,0,1]=4 417 B8R1.4 CN1CCC=C(Br)C1 M23512 [0,0,0,0,0,1|3,0,0]=4 418 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,0,0,1|2,0,0]=3 419 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,0,0,1|1,0,0]=2 420 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,0,0,1|1,0,0]=2 421 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,0,0,0,0,1|2,0,1]=4 422 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,0,0,0,0,1|2,0,1]=4 423 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,0,0,1|2,0,1]=4 424 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,0,0,1|1,0,2]=4 425 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,0,0,1|1,0,2]=4 426 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,0,0,1|2,0,1]=4 427 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,0,0,1|2,0,1]=4 428 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,0,0,1|1,0,2]=4 429 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,0,0,1|1,0,2]=4 430 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,0,0,0,0,1|3,0,0]=4 431 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,0,0,0,0,1|3,0,0]=4 432 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,0,0,0,0,1|3,0,0]=4 433 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,0,0,1|1,0,0]=2 434 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,0,0,0,0,1|2,0,1]=4 435 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,0,0,0,0,1|2,0,1]=4 436 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,0,0,0,0,1|2,0,1]=4 437 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,0,0,0,0,1|2,0,1]=4 438 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,0,0,0,0,1|2,0,1]=4 439 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,0,0,0,0,1|2,0,1]=4 440 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,0,0,0,0,1|2,0,1]=4 441 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,0,0,1|2,0,1]=4 442 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,0,0,0,0,1|1,0,2]=4 443 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,0,0,0,0,1|1,0,2]=4 444 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,0,0,1|1,0,0]=2 445 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,0,0,1|1,0,0]=2 446 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,0,0,1|1,0,0]=2 447 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,0,0,1|1,0,0]=2 448 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,0,0,1|2,0,1]=4 449 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,0,0,1|1,0,2]=4 450 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,0,0,0,0,1|2,0,1]=4 451 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,0,0,0,0,1|2,0,1]=4 452 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,0,0,1|2,0,1]=4 453 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,0,0,1|1,0,2]=4 454 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,0,0,0,0,1|3,0,0]=4 455 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,0,0,1|1,0,0]=2 456 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,0,0,1|1,0,0]=2 457 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,0,0,0,0,1|2,0,1]=4 458 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,0,0,0,0,1|2,0,1]=4 459 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,0,0,0,0,1|2,0,1]=4 460 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,0,0,0,0,1|1,0,1]=3 461 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,0,0,0,0,1|1,0,1]=3 462 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,0,0,0,0,1|2,0,1]=4 463 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,0,0,0,0,1|2,0,1]=4 464 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,0,0,0,0,1|1,0,2]=4 465 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,0,0,0,0,1|1,0,2]=4 466 B8R1.4 NC1=CC(=O)COC1 O33523 [0,0,0,0,0,1|2,0,1]=4 467 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,0,0,1|2,0,0]=3 468 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,0,0,1|2,0,0]=3 469 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,0,0,1|2,0,0]=3 470 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,0,0,1|2,0,0]=3 471 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,0,0,1|2,0,0]=3 472 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,0,0,0,0,1|2,0,1]=4 473 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,0,0,1|2,0,0]=3 474 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,0,0,1|2,0,0]=3 475 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,0,0,1|2,0,0]=3 476 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,0,0,1|2,0,0]=3 477 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,0,0,0,0,1|2,0,1]=4 478 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,0,0,1|2,0,1]=4 479 B8R1.4 O=C1CNCC(=O)N1 L14058 [0,0,0,0,0,1|2,0,1]=4 480 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,0,0,0,0,1|2,0,1]=4 481 B8R1.4 O=C1COCC(=O)N1 P38066 [0,0,0,0,0,1|2,0,1]=4 482 B8R1.4 O=C1COCC(F)C1 Q54617 [0,0,0,0,0,1|2,0,0]=3 483 B8R1.4 O=C1COCC(O)C1 Q54616 [0,0,0,0,0,1|2,0,0]=3 484 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,0,0,0,0,1|2,0,1]=4 485 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,0,0,0,0,1|3,0,0]=4 486 B8R1.4 OC1C=C(Br)COC1 Q54599 [0,0,0,0,0,1|3,0,0]=4 487 B5R0.1 CC(N)CCO P39048 [1,0,1,0,0,0|1,0,1]=4 488 B5R0.1 CC(O)CCN M22972 [1,0,1,0,0,0|1,0,0]=3 489 B5R0.1 CC(O)CON M15150 [1,0,1,0,0,0|2,0,0]=4 490 B5R0.1 CCC[C@H](C)N I-9318 [1,0,1,0,0,0|1,0,1]=4 491 B5R0.1 CNCC(C)O P40721 [1,0,1,0,0,0|1,0,1]=4 492 B5R0.1 CNC[C@@H](C)O P41738 [1,0,1,0,0,0|1,0,1]=4 493 B5R0.1 CNC[C@H](C)O P36531 [1,0,1,0,0,0|1,0,1]=4 494 B5R0.1 C[C@@H](N)CCO F-4752 [1,0,1,0,0,0|1,0,1]=4 495 B5R0.1 C[C@H](N)CCO F-4570 [1,0,1,0,0,0|1,0,1]=4 496 B5R0.1 O=C(O)CCF A-698 [1,0,1,0,0,0|1,0,0]=3 497 B5R0.2 C#CCCCO P37563 [1,0,1,0,0,0|1,0,1]=4 498 B5R0.3 CCC(C)NN O30637 [1,0,1,0,0,0|2,0,0]=4 499 B5R0.3 CNC(=O)CBr P38653 [1,0,1,0,0,0|2,0,0]=4 500 B5R0.3 CNC(=O)CN P37877 [1,0,1,0,0,0|2,0,0]=4 501 B5R0.3 CNC(=O)CO P37539 [1,0,1,0,0,0|2,0,0]=4 502 B5R0.3 COC(=N)CCl P36514 [1,0,1,0,0,0|2,0,0]=4 503 B5R0.3 COC(C)CN P36510 [1,0,1,0,0,0|1,0,1]=4 504 B5R1.1 C1CSCO1 P51538 [2,0,0,0,0,0|1,0,1]=4 505 B7R0.2 C#CC(=O)OC(C)C S86242 [0,1,1,0,0,0|0,0,2]=4 506 B7R0.2 CC(C)NC(=O)CBr P36229 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.2 CC(C)NC(=O)CN P36647 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.2 CC(C)NC(=O)CN P37073 [0,1,1,0,0,0|2,0,0]=4 509 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,1,0,0,0|1,0,1]=4 510 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,1,0,0,0|2,0,0]=4 511 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,1,0,0,0|2,0,0]=4 512 B7R0.2 COC(=O)CC(C)N P41489 [0,1,1,0,0,0|2,0,0]=4 513 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,1,1,0,0,0|2,0,0]=4 514 B7R0.3 CCCNC(=O)CN P36648 [0,1,1,0,0,0|2,0,0]=4 515 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,1,1,0,0,0|2,0,0]=4 516 B7R0.3 CNC(=O)CCCN P40550 [0,1,1,0,0,0|2,0,0]=4 517 B7R0.3 CNCCC(=O)NC P37767 [0,1,1,0,0,0|2,0,0]=4 518 B7R0.3 CNCCC(=O)OC P36826 [0,1,1,0,0,0|2,0,0]=4 519 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,1,0,0,0|1,0,1]=4 520 B7R0.7 CCNC(=O)CC#N P41076 [0,1,1,0,0,0|1,0,1]=4 521 B7R0.7 CCNC(=O)CCN P36830 [0,1,1,0,0,0|1,0,0]=3 522 B7R0.7 CCNC(=O)CNC P35209 [0,1,1,0,0,0|1,0,0]=3 523 B7R0.7 CCNC(=O)CNC P39556 [0,1,1,0,0,0|1,0,0]=3 524 B7R0.7 CCOC(=O)CCI P36879 [0,1,1,0,0,0|0,0,0]=2 525 B7R0.7 CCOC(=O)NCO Q69358 [0,1,1,0,0,0|1,0,0]=3 526 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,1,1,0,0,0|0,0,2]=4 527 B7R0.7 COCC(C)N=C=O L20863 [0,1,1,0,0,0|1,0,1]=4 528 B7R0.10 CCC(=O)N(C)OC P42839 [0,1,1,0,0,0|2,0,0]=4 529 B7R0.10 CCN(C)C(=O)CN P36486 [0,1,1,0,0,0|2,0,0]=4 530 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,1,0,0,0|2,0,0]=4 531 B7R0.4 C#CCNCC(=O)O L20673 [0,1,1,0,0,0|0,0,2]=4 532 B7R0.4 C#CCOCC(=O)O O29707 [0,1,1,0,0,0|0,0,2]=4 533 B7R0.4 C=CCOCC(=O)O P39548 [0,1,1,0,0,0|0,0,2]=4 534 B7R0.4 CC(=O)NCCCN P38199 [0,1,1,0,0,0|2,0,0]=4 535 B7R0.4 CNCCNC(C)=O P41559 [0,1,1,0,0,0|2,0,0]=4 536 B7R0.4 COCCCC(=O)O P39031 [0,1,1,0,0,0|0,0,0]=2 537 B7R0.4 NCCNCC(=O)O O28634 [0,1,1,0,0,0|1,0,0]=3 538 B7R0.4 NCCOCC(=O)O P35961 [0,1,1,0,0,0|1,0,0]=3 539 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [0,1,1,0,0,0|2,0,0]=4 540 B7R0.6 CC(=O)OCC(C)O P36972 [0,1,1,0,0,0|1,0,0]=3 541 B7R0.6 CC(C)=CCC(=O)O P43260 [0,1,1,0,0,0|0,0,2]=4 542 B7R0.6 CC(C)OCC(=O)O P38749 [0,1,1,0,0,0|1,0,0]=3 543 B7R0.6 O=C(O)CCC(F)F S72753 [0,1,1,0,0,0|1,0,0]=3 544 B7R0.8 CCCCS(=O)(=O)O O30093 [0,1,1,0,0,0|1,0,0]=3 545 B7R0.8 CNCCC(C)(C)O M22918 [0,1,1,0,0,0|2,0,0]=4 546 B7R1.1 BrCC1=CCCC1 G-5335 [1,1,0,0,0,0|2,0,0]=4 547 B7R1.1 BrCC1CCOC1 C-3388 [1,1,0,0,0,0|2,0,0]=4 548 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,1,0,0,0,0|2,0,0]=4 549 B7R1.1 CC[C@H]1CCNC1 L14527 [1,1,0,0,0,0|2,0,0]=4 550 B7R1.1 CNC1CCCC1 P36274 [1,1,0,0,0,0|1,0,1]=4 551 B7R1.1 CNC1CCNC1 P41664 [1,1,0,0,0,0|2,0,0]=4 552 B7R1.1 CNC1CCOC1 I-9659 [1,1,0,0,0,0|2,0,0]=4 553 B7R1.1 CN[C@@H]1CCNC1 P41422 [1,1,0,0,0,0|2,0,0]=4 554 B7R1.1 CN[C@@H]1CCOC1 L13930 [1,1,0,0,0,0|2,0,0]=4 555 B7R1.1 CN[C@H]1CCNC1 P41423 [1,1,0,0,0,0|2,0,0]=4 556 B7R1.1 CN[C@H]1CCOC1 L13929 [1,1,0,0,0,0|2,0,0]=4 557 B7R1.1 COC1CCNC1 C-2248 [1,1,0,0,0,0|2,0,0]=4 558 B7R1.1 CO[C@@H]1CCNC1 C-2249 [1,1,0,0,0,0|2,0,0]=4 559 B7R1.1 CO[C@H]1CCNC1 C-2250 [1,1,0,0,0,0|2,0,0]=4 560 B7R1.1 CSC1CCNC1 L20011 [1,1,0,0,0,0|2,0,0]=4 561 B7R1.1 CS[C@@H]1CCNC1 Q52106 [1,1,0,0,0,0|2,0,0]=4 562 B7R1.1 CS[C@H]1CCNC1 Q52105 [1,1,0,0,0,0|2,0,0]=4 563 B7R1.1 FCC1CCCN1 Q52409 [1,1,0,0,0,0|1,0,1]=4 564 B7R1.1 FCC1CCNC1 L20341 [1,1,0,0,0,0|2,0,0]=4 565 B7R1.1 FC[C@@H]1CCCN1 G-5688 [1,1,0,0,0,0|1,0,1]=4 566 B7R1.1 FC[C@@H]1CCCN1 Q61799 [1,1,0,0,0,0|1,0,1]=4 567 B7R1.1 FC[C@@H]1CCNC1 P48130 [1,1,0,0,0,0|2,0,0]=4 568 B7R1.1 FC[C@@H]1CCNC1 Q61807 [1,1,0,0,0,0|2,0,0]=4 569 B7R1.1 FC[C@H]1CCCN1 I-9901 [1,1,0,0,0,0|1,0,1]=4 570 B7R1.1 FC[C@H]1CCCN1 Q51944 [1,1,0,0,0,0|1,0,1]=4 571 B7R1.1 FC[C@H]1CCNC1 P50376 [1,1,0,0,0,0|2,0,0]=4 572 B7R1.1 FC[C@H]1CCNC1 Q61806 [1,1,0,0,0,0|2,0,0]=4 573 B7R1.1 ICC1CCCC1 P39098 [1,1,0,0,0,0|1,0,1]=4 574 B7R1.1 ICC1CCOC1 I-9304 [1,1,0,0,0,0|2,0,0]=4 575 B7R1.1 NCC1CCCC1 F-4714 [1,1,0,0,0,0|1,0,1]=4 576 B7R1.1 NCC1CCCC1 L14012 [1,1,0,0,0,0|1,0,1]=4 577 B7R1.1 NCC1CCCN1 P37060 [1,1,0,0,0,0|1,0,1]=4 578 B7R1.1 NCC1CCOC1 C-3659 [1,1,0,0,0,0|2,0,0]=4 579 B7R1.1 NCC1CCOC1 G-6767 [1,1,0,0,0,0|2,0,0]=4 580 B7R1.1 NC[C@@H]1CCCN1 G-5891 [1,1,0,0,0,0|1,0,1]=4 581 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,1,0,0,0,0|2,0,0]=4 582 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,1,0,0,0,0|2,0,0]=4 583 B7R1.1 NC[C@H]1CCCN1 P42386 [1,1,0,0,0,0|1,0,1]=4 584 B7R1.1 NC[C@H]1CCNC1 Q55433 [1,1,0,0,0,0|2,0,0]=4 585 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,1,0,0,0,0|2,0,0]=4 586 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,1,0,0,0,0|2,0,0]=4 587 B7R1.1 O=CC1=CCCC1 O33977 [1,1,0,0,0,0|1,0,0]=3 588 B7R1.1 O=CC1=CCCO1 O29864 [1,1,0,0,0,0|0,0,1]=3 589 B7R1.1 OCC1CC=CC1 G-6600 [1,1,0,0,0,0|1,0,1]=4 590 B7R1.1 OCC1CCNC1 C-2924 [1,1,0,0,0,0|2,0,0]=4 591 B7R1.1 OCC1CCNC1 L13610 [1,1,0,0,0,0|2,0,0]=4 592 B7R1.1 OCC1CCOC1 C-3387 [1,1,0,0,0,0|2,0,0]=4 593 B7R1.1 OCC1OCCO1 O33317 [1,1,0,0,0,0|1,0,1]=4 594 B7R1.1 OC[C@@H]1CCCO1 O32723 [1,1,0,0,0,0|0,0,1]=3 595 B7R1.1 OC[C@@H]1CCNC1 G-6083 [1,1,0,0,0,0|2,0,0]=4 596 B7R1.1 OC[C@@H]1CCNC1 L13662 [1,1,0,0,0,0|2,0,0]=4 597 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,1,0,0,0,0|2,0,0]=4 598 B7R1.1 OC[C@H]1CCNC1 G-6082 [1,1,0,0,0,0|2,0,0]=4 599 B7R1.1 OC[C@H]1CCNC1 L14041 [1,1,0,0,0,0|2,0,0]=4 600 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,1,0,0,0,0|2,0,0]=4 601 B7R1.4 CC1CCNC1=O O30375 [1,1,0,0,0,0|1,0,0]=3 602 B7R1.4 CC1CCNC1C Q61659 [1,1,0,0,0,0|1,0,1]=4 603 B7R1.4 CC1CNCC1C O33388 [1,1,0,0,0,0|2,0,0]=4 604 B7R1.4 CC1CNCC1F Q54416 [1,1,0,0,0,0|2,0,0]=4 605 B7R1.4 CC1CNCC1O Q59312 [1,1,0,0,0,0|2,0,0]=4 606 B7R1.4 CN1CCCC1=N Q59266 [1,1,0,0,0,0|2,0,0]=4 607 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,1,0,0,0,0|1,0,1]=4 608 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,1,0,0,0,0|1,0,1]=4 609 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,1,0,0,0,0|1,0,0]=3 610 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [1,1,0,0,0,0|2,0,0]=4 611 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [1,1,0,0,0,0|2,0,0]=4 612 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [1,1,0,0,0,0|2,0,0]=4 613 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [1,1,0,0,0,0|2,0,0]=4 614 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [1,1,0,0,0,0|2,0,0]=4 615 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [1,1,0,0,0,0|2,0,0]=4 616 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [1,1,0,0,0,0|2,0,0]=4 617 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [1,1,0,0,0,0|2,0,0]=4 618 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [1,1,0,0,0,0|2,0,0]=4 619 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [1,1,0,0,0,0|1,0,1]=4 620 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [1,1,0,0,0,0|1,0,1]=4 621 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,1,0,0,0,0|1,0,1]=4 622 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,1,0,0,0,0|1,0,1]=4 623 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,1,0,0,0,0|1,0,0]=3 624 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [1,1,0,0,0,0|2,0,0]=4 625 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [1,1,0,0,0,0|1,0,1]=4 626 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [1,1,0,0,0,0|1,0,1]=4 627 B7R1.4 NC1CCNC1=O F-4440 [1,1,0,0,0,0|1,0,0]=3 628 B7R1.4 NN1CCCC1=O P51102 [1,1,0,0,0,0|1,0,0]=3 629 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,1,0,0,0,0|1,0,0]=3 630 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,1,0,0,0,0|1,0,0]=3 631 B7R1.4 N[C@H]1CCNC1=O L14236 [1,1,0,0,0,0|1,0,0]=3 632 B7R1.4 O=C1CCC=C1O A-670 [1,1,0,0,0,0|1,0,1]=4 633 B7R1.4 O=C1CCCC1=O L19145 [1,1,0,0,0,0|1,0,0]=3 634 B7R1.4 O=C1CCCC1O Q61720 [1,1,0,0,0,0|1,0,0]=3 635 B7R1.4 O=C1CCNC1=O Q62042 [1,1,0,0,0,0|1,0,1]=4 636 B7R1.4 O=C1NCCC1Br O31241 [1,1,0,0,0,0|1,0,0]=3 637 B7R1.4 O=C1NCCC1F Q62170 [1,1,0,0,0,0|1,0,0]=3 638 B7R1.4 O=C1NCCC1O D-2532 [1,1,0,0,0,0|1,0,0]=3 639 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,1,0,0,0,0|1,0,0]=3 640 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,1,0,0,0,0|1,0,0]=3 641 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,1,0,0,0,0|1,0,0]=3 642 B7R1.4 O=C1NCC[C@H]1O O30124 [1,1,0,0,0,0|1,0,0]=3 643 B7R1.4 OC1CCC=C1Br O29401 [1,1,0,0,0,0|2,0,0]=4 644 B7R1.14 CC1(C)CCCN1 A-592 [1,1,0,0,0,0|1,0,1]=4 645 B7R1.14 CC1(C)CCCN1 Q51927 [1,1,0,0,0,0|1,0,1]=4 646 B7R1.14 CC1(C)CCNC1 I-9310 [1,1,0,0,0,0|2,0,0]=4 647 B7R1.14 CC1(C)CCNC1 Q56449 [1,1,0,0,0,0|2,0,0]=4 648 B7R1.14 CC1(F)CCNC1 L14429 [1,1,0,0,0,0|2,0,0]=4 649 B7R1.14 CC1(F)CCNC1 Q61800 [1,1,0,0,0,0|2,0,0]=4 650 B7R1.14 CC1(N)CCCC1 Q57352 [1,1,0,0,0,0|1,0,1]=4 651 B7R1.14 CC1(N)CCNC1 Q61976 [1,1,0,0,0,0|2,0,0]=4 652 B7R1.14 CC1(N)CCNC1 Q61977 [1,1,0,0,0,0|2,0,0]=4 653 B7R1.14 CC1(N)CCOC1 F-4690 [1,1,0,0,0,0|2,0,0]=4 654 B7R1.14 CC1(O)CCNC1 D-2556 [1,1,0,0,0,0|2,0,0]=4 655 B7R1.14 CC1(O)CCNC1 O28700 [1,1,0,0,0,0|2,0,0]=4 656 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [1,1,0,0,0,0|2,0,0]=4 657 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [1,1,0,0,0,0|2,0,0]=4 658 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [1,1,0,0,0,0|2,0,0]=4 659 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.14 C[C@]1(F)CCNC1 Q61810 [1,1,0,0,0,0|2,0,0]=4 661 B7R1.14 C[C@]1(F)CCNC1 Q61811 [1,1,0,0,0,0|2,0,0]=4 662 B7R1.14 C[C@]1(O)CCNC1 H-8071 [1,1,0,0,0,0|2,0,0]=4 663 B7R1.14 C[C@]1(O)CCNC1 O33042 [1,1,0,0,0,0|2,0,0]=4 664 B7R1.14 O=S1(=O)NCCO1 G-7898 [1,1,0,0,0,0|2,0,0]=4 665 B7R1.8 CC1CCC1CO P48346 [0,1,0,0,1,0|0,0,2]=4 666 B7R1.8 CN1CCC1CN L18103 [0,1,0,0,1,0|2,0,0]=4 667 B7R1.8 CN1CCC1CN P43972 [0,1,0,0,1,0|2,0,0]=4 668 B7R1.8 CN1CCC1CO P47720 [0,1,0,0,1,0|2,0,0]=4 669 B7R1.8 CN1CC[C@@H]1CN L18105 [0,1,0,0,1,0|2,0,0]=4 670 B7R1.8 CN1CC[C@@H]1CN P43970 [0,1,0,0,1,0|2,0,0]=4 671 B7R1.8 CN1CC[C@@H]1CO P46629 [0,1,0,0,1,0|2,0,0]=4 672 B7R1.8 CN1CC[C@H]1CN L18104 [0,1,0,0,1,0|2,0,0]=4 673 B7R1.8 CN1CC[C@H]1CN P43971 [0,1,0,0,1,0|2,0,0]=4 674 B7R1.8 CN1CC[C@H]1CO P44139 [0,1,0,0,1,0|2,0,0]=4 675 B7R1.8 COC1CCC1=O P45632 [0,1,0,0,1,0|0,0,0]=2 676 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,1,0,0,1,0|1,0,1]=4 677 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,1,0,0,1,0|1,0,1]=4 678 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,1,0,0,1,0|1,0,1]=4 679 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,1,0,0,1,0|1,0,1]=4 680 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,1,0,0,1,0|1,0,1]=4 681 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,1,0,0,1,0|1,0,1]=4 682 B7R1.8 NCC1CCC1F P47834 [0,1,0,0,1,0|1,0,1]=4 683 B7R1.8 NCC1CCC1F P50566 [0,1,0,0,1,0|1,0,1]=4 684 B7R1.8 NCC1CNC1=O P46897 [0,1,0,0,1,0|1,0,0]=3 685 B7R1.8 O=C1CCC1CO L18510 [0,1,0,0,1,0|0,0,0]=2 686 B7R1.8 OCC1CCC1F P47249 [0,1,0,0,1,0|1,0,1]=4 687 B7R1.8 OCC1CCC1O P50851 [0,1,0,0,1,0|0,0,2]=4 688 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,1,0,0,1,0|0,0,2]=4 689 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,1,0,0,1,0|0,0,2]=4 690 B7R1.15 CN1CC(N)C1=O P45666 [0,1,0,0,1,0|1,0,0]=3 691 B7R1.15 CN1C[C@@H](N)C1=O P46164 [0,1,0,0,1,0|1,0,0]=3 692 B7R1.15 CN1C[C@H](N)C1=O P45267 [0,1,0,0,1,0|1,0,0]=3 693 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,1,0,0,1,0|2,0,0]=4 694 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,1,0,0,1,0|2,0,0]=4 695 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,0,1,0|0,0,0]=2 696 B7R1.17 CC1(C)CCC1O O32944 [0,1,0,0,1,0|0,0,2]=4 697 B7R1.17 CC1(C)CNC1=O P45241 [0,1,0,0,1,0|1,0,0]=3 698 B7R1.17 CC1(C)OCC1=O L22440 [0,1,0,0,1,0|1,0,0]=3 699 B7R1.10 C=C1CC(CBr)C1 P49895 [0,1,0,0,1,0|2,0,0]=4 700 B7R1.10 C=C1CC(CO)C1 P49896 [0,1,0,0,1,0|2,0,0]=4 701 B7R1.10 C=CC1CC(=O)C1 P45344 [0,1,0,0,1,0|1,0,1]=4 702 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,0,1,0|1,0,0]=3 703 B7R1.10 COC1CC(=O)C1 F-4668 [0,1,0,0,1,0|1,0,0]=3 704 B7R1.10 N#CC1CC(=O)C1 F-4231 [0,1,0,0,1,0|1,0,1]=4 705 B7R1.10 NCC1CC(=O)C1 C-2921 [0,1,0,0,1,0|1,0,0]=3 706 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,1,0,0,1,0|1,0,0]=3 707 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,1,0,0,1,0|0,0,0]=2 708 B7R1.10 O=C1CC(CCl)C1 L13121 [0,1,0,0,1,0|1,0,0]=3 709 B7R1.10 O=C1CC(CF)C1 P44872 [0,1,0,0,1,0|1,0,0]=3 710 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,0,1,0|1,0,0]=3 711 B7R1.10 O=C1CC(CO)N1 P45245 [0,1,0,0,1,0|1,0,0]=3 712 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,1,0,0,1,0|1,0,0]=3 713 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,1,0,0,1,0|1,0,0]=3 714 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,1,0,0,1,0|1,0,0]=3 715 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,1,0,0,1,0|1,0,0]=3 716 B7R1.16 O=C1CC(F)(F)C1 G-6519 [0,1,0,0,1,0|2,0,0]=4 717 B9R1.1 C#CC1CCC(=O)CC1 Q53472 [0,1,0,0,0,1|1,0,1]=4 718 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,0,0,1|1,0,0]=3 719 B9R1.1 CNC1CCS(=O)CC1 Q57925 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.1 CNC1CCS(=O)CC1 Q57926 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,0,0,1|1,0,0]=3 722 B9R1.1 N#CC1CCC(=O)CC1 O33986 [0,1,0,0,0,1|1,0,1]=4 723 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,0,0,1|1,0,0]=3 724 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,0,0,1|1,0,0]=3 725 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,0,0,1|1,0,0]=3 726 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,0,0,1|1,0,0]=3 727 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,0,0,1|1,0,0]=3 728 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,0,0,1|1,0,0]=3 729 B9R1.10 C=C1CCC(C)(O)CC1 P43800 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.10 CC1(C)CC=C(Br)CC1 N24756 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,1,0,0,0,1|1,0,0]=3 732 B9R1.10 CC1(C)CCC(N)=NC1 Q65224 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [0,1,0,0,0,1|1,0,0]=3 735 B9R1.10 CC1(N)CCS(=O)CC1 Q57987 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [0,1,0,0,0,1|1,0,0]=3 737 B9R1.10 O=C1CCC(F)(F)CC1 G-7873 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.10 O=C1CCC(F)(F)CN1 I-9477 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,0,0,1|1,0,0]=3 741 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,0,0,1|0,0,0]=2 742 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.69 CN1CCC(=O)CC1=O H-8214 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,0,0,1|1,0,0]=3 749 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 A-475 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 P43921 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,0,0,1|1,0,0]=3 754 B9R1.69 C[C@H]1CN(C)C(=O)CN1 A-476 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.69 C[C@H]1CN(C)C(=O)CN1 L13867 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,0,0,1|1,0,1]=4 759 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,0,0,1|1,0,1]=4 760 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,0,0,1|1,0,0]=3 761 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,0,0,1|1,0,0]=3 763 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,0,0,1|1,0,1]=4 764 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,0,0,1|1,0,0]=3 765 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,0,0,1|1,0,0]=3 766 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,0,0,1|1,0,0]=3 767 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,0,0,1|1,0,0]=3 768 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,0,0,1|1,0,0]=3 769 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,0,0,1|1,0,0]=3 770 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,0,0,1|1,0,0]=3 771 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,0,0,1|1,0,0]=3 772 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,0,0,1|1,0,0]=3 773 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,0,0,1|1,0,0]=3 774 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.34 CC1CC(=O)CC(=O)N1 O29819 [0,1,0,0,0,1|1,0,0]=3 776 B9R1.34 CC1CC(=O)CC(=O)O1 H-8797 [0,1,0,0,0,1|0,0,0]=2 777 B9R1.34 CC1CC(=O)CC(C)N1 O29876 [0,1,0,0,0,1|1,0,0]=3 778 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,0,0,1|1,0,0]=3 779 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,1,0,0,0,1|1,0,1]=4 780 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,1,0,0,0,1|1,0,1]=4 781 B9R1.34 CN1CC(=O)OC(=O)C1 Q70106 [0,1,0,0,0,1|1,0,1]=4 782 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,0,0,1|1,0,0]=3 783 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,0,0,1|1,0,0]=3 784 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 L13865 [0,1,0,0,0,1|1,0,0]=3 785 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Q55528 [0,1,0,0,0,1|1,0,0]=3 786 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,0,0,1|1,0,0]=3 787 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,0,0,1|1,0,0]=3 788 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,1,0,0,0,1|1,0,1]=4 789 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,1,0,0,0,1|1,0,1]=4 790 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,1,0,0,0,1|1,0,0]=3 792 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,1,0,0,0,1|1,0,0]=3 793 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,1,0,0,0,1|1,0,0]=3 794 B9R1.66 O=C1CC(F)(F)CCN1 Q63587 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,2,0,0,0,0|0,0,0]=2 796 B9R1.23 CC1C[C@@H](CO)NC1=O Q61857 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.23 CN1CC(CBr)CC1=O L20739 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.23 CN1CC(CN)CC1=O I-9450 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.23 CN1CC(CN)CC1=O L18600 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.23 CN1CC(CO)CC1=O L22372 [0,2,0,0,0,0|2,0,0]=4 801 B9R1.23 CN1C[C@@H](CN)CC1=O Q64125 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.23 CN1C[C@H](CN)CC1=O Q64124 [0,2,0,0,0,0|2,0,0]=4 803 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,2,0,0,0,0|1,0,1]=4 805 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,2,0,0,0,0|1,0,1]=4 806 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,2,0,0,0,0|1,0,1]=4 807 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,2,0,0,0,0|1,0,1]=4 808 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,2,0,0,0,0|1,0,1]=4 809 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,2,0,0,0,0|1,0,1]=4 810 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [0,2,0,0,0,0|0,1,1]=4 811 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,2,0,0,0,0|1,0,1]=4 812 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,2,0,0,0,0|0,0,1]=3 813 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,2,0,0,0,0|1,0,1]=4 814 B9R1.35 O=C1NC(C(F)F)CO1 P47208 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.35 O=C1N[C@H](C(F)F)CO1 P46407 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.125 CC1(CN)CCC(=O)N1 Q65054 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.125 CC1(CO)CCC(=O)N1 Q65055 [0,2,0,0,0,0|1,0,0]=3 818 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,2,0,0,0,0|2,0,0]=4 819 B9R1.125 C[C@@]1(C=O)CCC(=O)N1 Q65047 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.132 CN1C(=O)CCC1CBr L20735 [0,2,0,0,0,0|1,0,0]=3 821 B9R1.132 CN1C(=O)CCC1CO M23749 [0,2,0,0,0,0|1,0,0]=3 822 B9R1.132 CN1C(=O)CC[C@@H]1CN Q64631 [0,2,0,0,0,0|1,0,0]=3 823 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,2,0,0,0,0|1,0,0]=3 824 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.132 COC1=C(Br)C(=O)CC1 Q53459 [0,2,0,0,0,0|1,0,1]=4 826 B9R1.133 CC1(C)OC[C@@H](C=O)O1 P39585 [0,2,0,0,0,0|1,0,1]=4 827 B9R1.133 CC1(C)OC[C@H](C=O)O1 P41029 [0,2,0,0,0,0|1,0,1]=4 828 B9R1.133 CNC1CCS(=O)(=O)C1 P37594 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,2,0,0,0,0|1,0,0]=3 830 B9R1.37 CC1C(=O)CC(=O)N1C O29270 [0,2,0,0,0,0|1,0,1]=4 831 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,2,0,0,0,0|1,0,0]=3 832 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,2,0,0,0,0|2,0,0]=4 833 B7R1.3 BrC1=CCCCC1 N24288 [0,0,1,1,0,0|2,0,0]=4 834 B7R1.3 N=C1NCCCO1 L19177 [0,0,1,1,0,0|2,0,0]=4 835 B7R1.3 O=C1CCCNC1 A-184 [0,0,1,1,0,0|2,0,0]=4 836 B7R1.3 O=C1CCCOC1 G-6070 [0,0,1,1,0,0|2,0,0]=4 837 B7R1.3 O=C1CCCSC1 G-5937 [0,0,1,1,0,0|2,0,0]=4 838 B7R1.3 O=C1CCOCC1 B-1770 [0,0,1,1,0,0|2,0,0]=4 839 B7R1.3 O=C1CCSCC1 C-2949 [0,0,1,1,0,0|2,0,0]=4 840 B7R1.3 O=C1CNCCO1 O28295 [0,0,1,1,0,0|1,0,0]=3 841 B7R1.3 O=C1COCCN1 B-1038 [0,0,1,1,0,0|2,0,0]=4 842 B7R1.3 O=C1OCCCO1 P43743 [0,0,1,1,0,0|1,0,0]=3 843 B7R1.6 ClCOC1CCC1 P49912 [0,0,1,1,0,0|1,0,1]=4 844 B7R1.6 O=C=NC1CCC1 P45443 [0,0,1,1,0,0|1,0,1]=4 845 B7R1.6 O=CCC1CCC1 P45355 [0,0,1,1,0,0|1,0,0]=3 846 B7R1.6 O=CCC1CCO1 Q56186 [0,0,1,1,0,0|2,0,0]=4 847 B7R1.6 O=CCN1CCC1 P47882 [0,0,1,1,0,0|2,0,0]=4 848 B7R1.22 CCC(=O)C1CC1 I-9941 [0,0,1,1,0,0|1,0,0]=3 849 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,1,1,0,0|2,0,0]=4 850 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,1,1,0,0|2,0,0]=4 851 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,1,1,0,0|2,0,0]=4 852 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,1,1,0,0|2,0,0]=4 853 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,0,1,1,0,0|2,0,0]=4 854 B7R1.20 O=C(O)CC1CC1 F-4292 [0,0,1,1,0,0|2,0,0]=4 855 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,1,1,0,0|1,0,0]=3 856 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,1,1,0,0|2,0,0]=4 857 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,1,1,0,0|2,0,0]=4 858 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,1,1,0,0|2,0,0]=4 859 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,1,1,0,0|2,0,0]=4 860 B7R1.18 CC(=O)N1CCC1 P45596 [0,0,1,1,0,0|2,0,0]=4 861 B7R1.18 CC(O)C1CCC1 P45236 [0,0,1,1,0,0|1,0,1]=4 862 B7R1.18 CC(O)C1CNC1 L18023 [0,0,1,1,0,0|2,0,0]=4 863 B7R1.18 CC(O)C1CNC1 P43762 [0,0,1,1,0,0|2,0,0]=4 864 B7R1.18 CC(O)C1COC1 P47968 [0,0,1,1,0,0|2,0,0]=4 865 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,0,1,1,0,0|2,0,0]=4 866 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,0,1,1,0,0|1,0,1]=4 867 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,0,1,1,0,0|2,0,0]=4 868 B7R1.18 N=C(N)C1CCC1 G-7205 [0,0,1,1,0,0|2,0,0]=4 869 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,1,1,0,0|1,0,0]=3 870 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,1,1,0,0|2,0,0]=4 871 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,1,1,0,0|2,0,0]=4 872 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,1,1,0,0|2,0,0]=4 873 B7R1.18 NC(=O)N1CCC1 P45464 [0,0,1,1,0,0|2,0,0]=4 874 B7R1.18 NC(=S)C1CCC1 P47843 [0,0,1,1,0,0|1,1,0]=4 875 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,1,1,0,0|1,0,0]=3 876 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,1,1,0,0|1,0,0]=3 877 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,1,1,0,0|1,0,0]=3 878 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,1,1,0,0|1,0,0]=3 879 B7R1.18 O=C(O)C1COC1 A-970 [0,0,1,1,0,0|1,0,0]=3 880 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,1,1,0,0|1,0,0]=3 881 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,1,1,0,0|1,0,0]=3 882 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,1,1,0,0|1,0,0]=3 883 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,1,1,0,0|1,0,0]=3 884 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,1,1,0,0|1,0,0]=3 885 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,1,1,0,0|1,0,0]=3 886 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,1,1,0,0|1,0,0]=3 887 B7R1.18 OB(O)C1CCC1 P45097 [0,0,1,1,0,0|1,0,1]=4 888 B7R2.11 C1NC2CC1C2 F-4800 [1,0,0,1,0,0|1,0,1]=4 889 B7R2.11 C1NC2CC1C2 P45727 [1,0,0,1,0,0|1,0,1]=4 890 B7R2.13 C1=CC2OC2C1 Q61735 [1,0,0,1,0,0|2,0,0]=4 891 B7R2.13 C1CC2CC2N1 L14349 [1,0,0,1,0,0|1,0,1]=4 892 B7R2.13 C1CC2CC2N1 Q56284 [1,0,0,1,0,0|1,0,1]=4 893 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [1,0,0,1,0,0|1,0,1]=4 894 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [1,0,0,1,0,0|1,0,1]=4 895 B7R2.13 C1NCC2CC12 C-2898 [1,0,0,1,0,0|2,0,0]=4 896 B7R2.13 C1NCC2CC12 Q52508 [1,0,0,1,0,0|2,0,0]=4 897 B7R2.8 NC1C2CC1C2 P45329 [0,0,0,1,1,0|1,0,1]=4 898 B7R2.8 OC1C2CC1C2 Q61085 [0,0,0,1,1,0|0,0,2]=4 899 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,1,0,1|1,0,0]=3 900 B9R2.19 O=C1NCC2CC1C2 K16109 [0,0,0,1,0,1|1,0,0]=3 901 B9R2.19 O=C1NCC2CC1N2 P44085 [0,0,0,1,0,1|2,0,0]=4 902 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,1,0,1|1,0,0]=3 903 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,1,0,1|1,0,0]=3 904 B9R2.49 C1CC2CNC1CO2 F-4826 [0,0,0,1,0,1|1,0,1]=4 905 B9R2.49 C1CC2CNC1CO2 G-7378 [0,0,0,1,0,1|1,0,1]=4 906 B9R2.49 C1CC2CNC1CO2 P46194 [0,0,0,1,0,1|1,0,1]=4 907 B9R2.49 C1CC2CNC1CO2 P46621 [0,0,0,1,0,1|1,0,1]=4 908 B9R2.49 C1CC2CNC1CO2 Q56526 [0,0,0,1,0,1|1,0,1]=4 909 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57044 [0,0,0,1,0,1|1,0,1]=4 910 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57045 [0,0,0,1,0,1|1,0,1]=4 911 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 Q57046 [0,0,0,1,0,1|1,0,1]=4 912 B9R2.8 O=C1CC2CC(C1)C2 P47305 [0,0,0,1,0,1|1,0,0]=3 913 B9R2.25 O=C1OC(=O)C2CC12 D-2718 [0,0,0,1,0,1|1,0,1]=4 914 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,1,0,1|1,0,0]=3 915 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,1,0,1|1,0,0]=3 916 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,1,0,1|1,0,0]=3 917 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,1,0,1|2,0,0]=4 918 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,1,0,1|1,0,0]=3 919 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,1,0,1|2,0,0]=4 920 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,1,0,1|1,0,0]=3 921 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,1,0,1|1,0,0]=3 922 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,1,0,1|1,0,0]=3 923 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,1,0,1|1,0,0]=3 924 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,1,0,1|0,0,0]=2 925 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,1,0,1|0,0,0]=2 926 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,1,0,1|0,0,0]=2 927 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 L13544 [0,0,0,1,0,1|1,0,1]=4 928 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O 10466 [0,0,0,1,0,1|1,0,1]=4 929 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O G-6931 [0,0,0,1,0,1|1,0,1]=4 930 B9R2.68 C1CC2CNCC1O2 A-860 [0,0,0,1,0,1|1,0,1]=4 931 B9R2.68 C1CC2CNCC1O2 P44476 [0,0,0,1,0,1|1,0,1]=4 932 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 P50041 [0,0,0,1,0,1|1,0,1]=4 933 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,1,0,1|1,0,0]=3 934 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,1,0,1|2,0,0]=4 935 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,1,0,1|1,0,0]=3 936 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,1,0,1|1,0,0]=3 937 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,1,0,1,0,0|1,0,0]=3 938 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,1,0,1,0,0|1,0,0]=3 939 B9R2.47 O=CC1CC2CC2C1 Q57293 [0,1,0,1,0,0|1,0,1]=4 940 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,1,0,1,0,0|2,0,0]=4 941 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,1,0,1,0,0|1,0,0]=3 942 B5R0.5 CC(C)S(N)=O O29745 [0,0,1,0,1,0|2,0,0]=4 943 B5R0.5 CC(N)C(N)=O P37963 [0,0,1,0,1,0|2,0,0]=4 944 B5R0.5 CC(O)C(N)=O P39940 [0,0,1,0,1,0|2,0,0]=4 945 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,0,1,0,1,0|2,0,0]=4 946 B5R1.2 C=C1CCC1 P49771 [1,0,0,0,1,0|1,0,0]=3 947 B5R1.2 C=C1COC1 Q53034 [1,0,0,0,1,0|2,0,0]=4 948 B5R1.2 CC1CCN1 M22690 [1,0,0,0,1,0|1,0,0]=3 949 B5R1.2 CC1CCN1 P44577 [1,0,0,0,1,0|1,0,0]=3 950 B5R1.2 CC1CCO1 Q53239 [1,0,0,0,1,0|0,0,0]=2 951 B5R1.2 CC1CNC1 C-2879 [1,0,0,0,1,0|1,0,1]=4 952 B5R1.2 C[C@@H]1CCN1 P45172 [1,0,0,0,1,0|1,0,0]=3 953 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,0,1,0|0,0,0]=2 954 B5R1.2 C[C@H]1CCN1 P44797 [1,0,0,0,1,0|1,0,0]=3 955 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,0,1,0|0,0,0]=2 956 B5R1.2 IC1CCC1 L21363 [1,0,0,0,1,0|1,0,1]=4 957 B5R1.2 NC1CCC1 P45382 [1,0,0,0,1,0|1,0,1]=4 958 B5R1.2 O=C1CCN1 P35040 [1,0,0,0,1,0|1,0,0]=3 959 B5R1.2 O=C1CNC1 C-2452 [1,0,0,0,1,0|1,0,0]=3 960 B5R1.2 O=C1COC1 A-880 [1,0,0,0,1,0|1,0,0]=3 961 B5R1.2 O=C1CSC1 A-895 [1,0,0,0,1,0|1,0,0]=3 962 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,0,0,0,0,2|2,0,0]=4 963 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,0,0,0,0,2|1,0,0]=3 964 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,0,0,0,0,2|2,0,0]=4