0 B8R1.3 CC1CCC(F)CN1 Q64642 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1CCC(O)CN1 Q61256 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 CC1CCC(O)CN1 Q61257 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 CC1COC(C)CN1 P42779 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.3 C[C@H]1CN[C@@H](C)CN1 G-7097 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,0,0,0,0,0|3,1,0]=4 17 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,0,0,0,0,0|3,1,0]=4 19 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,0,0,0,0,0|3,1,0]=4 20 B8R1.3 NC1CCC(F)CC1 P48099 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.3 NC1CCC(F)CC1 Q57430 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.3 NC1CCC(O)CC1 P44662 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 NC1CCC(O)CC1 P44669 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 NN1CCC(O)CC1 P51626 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.3 OC1CCC(Br)CC1 P44927 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.3 OC1CCC(F)CC1 P43964 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.3 OC1COC(O)CO1 G-7937 [0,0,0,0,0,0|0,2,0]=2 36 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,0,0,0,0,0|2,1,0]=3 40 B7R1.3 BrC1CCCNC1 H-8368 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 BrC1CCCOC1 O33555 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.3 CC1CNCCO1 B-1061 [1,0,0,0,0,0|2,1,0]=4 43 B7R1.3 CC1CNCCO1 B-1061-1 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.3 CC1COCCN1 B-1060 [1,0,0,0,0,0|2,1,0]=4 45 B7R1.3 CC1COCCN1 O28936 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.3 C[C@@H]1CCCCN1 P40572 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 C[C@@H]1CCCNC1 Q55825 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 C[C@@H]1CNCCO1 B-1063 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.3 C[C@@H]1COCCN1 B-1058 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.3 C[C@@H]1COCCN1 P34848 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.3 C[C@H]1CCCCN1 P38855 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 C[C@H]1CCCCN1 Q54716 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.3 C[C@H]1CCCNC1 Q55824 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 C[C@H]1CNCCO1 B-1062 [1,0,0,0,0,0|2,1,0]=4 56 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [1,0,0,0,0,0|2,1,0]=4 57 B7R1.3 C[C@H]1COCCN1 B-1059 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.3 C[C@H]1COCCN1 P42980 [1,0,0,0,0,0|2,1,0]=4 59 B7R1.3 ClC1CCCOC1 Q57646 [1,0,0,0,0,0|2,1,0]=4 60 B7R1.3 FC1CCCNC1 C-2254 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.3 F[C@@H]1CCCNC1 G-5231 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.3 F[C@H]1CCCNC1 C-2765 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 NC1CCCOC1 I-9177 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.3 NC1CCCOC1 Q56350 [1,0,0,0,0,0|2,1,0]=4 65 B7R1.3 N[C@@H]1CCCNC1 I-9160 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 N[C@@H]1CCCOC1 I-9746 [1,0,0,0,0,0|2,1,0]=4 67 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.3 OC1C=CCOC1 Q63933 [1,0,0,0,0,0|1,1,1]=4 69 B7R1.3 OC1CCCOC1 G-6220 [1,0,0,0,0,0|1,1,0]=3 70 B7R1.3 OC1CCNCC1 Q52555 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.3 OC1CCOCC1 B-1769 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.3 OC1CCSCC1 Q69934 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [1,0,0,0,0,0|1,1,1]=4 74 B7R1.3 O[C@@H]1CCCNC1 K12060 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 O[C@@H]1CCCOC1 P44487 [1,0,0,0,0,0|1,1,0]=3 76 B7R1.3 O[C@H]1C=CCOC1 Q63934 [1,0,0,0,0,0|1,1,1]=4 77 B7R1.3 O[C@H]1CCCNC1 K12075 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 O[C@H]1CCCNC1 L13549 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 O[C@H]1CCCOC1 P51230 [1,0,0,0,0,0|1,1,0]=3 80 B7R1.3 SC1CCCNC1 L21541 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.3 SC1CCCOC1 Q57701 [1,0,0,0,0,0|1,2,0]=4 82 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P48697 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 CC1CCC(CO)CN1 L14235 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 I-9002 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 P44754 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.1 CN[C@H]1CC[C@H](O)CC1 I-9003 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.1 CN[C@H]1CC[C@H](O)CC1 P44840 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 COC1CCC(O)CC1 P40387 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 CO[C@H]1CC[C@H](N)CC1 O33520 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 CO[C@H]1CC[C@H](N)CC1 P37077 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 Q56765 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P45661 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 L18205 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 Q65134 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 Q65135 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 NC1CCC(CO)CC1 P44916 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 NCC1CCC(O)CC1 P34700 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 NCC1CCC(O)CC1 P47419 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 L21269 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P45002 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.1 NC[C@H]1CC[C@H](O)CC1 I-9344 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.1 NC[C@H]1CC[C@H](O)CC1 Q52032 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 G-6713 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 P44180 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.1 N[C@H]1CC[C@H](CO)CC1 G-6714 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.1 N[C@H]1CC[C@H](CO)CC1 P44327 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 P48925 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.1 OCC1CCC(O)CC1 P45738 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.1 OC[C@H]1CC[C@@H](F)CC1 P47182 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P45690 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.1 OC[C@H]1CC[C@H](F)CC1 P47209 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 OC[C@H]1CC[C@H](O)CC1 P45689 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.10 CC1(C)CCC(O)CC1 P44654 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.10 CC1(O)CCC(N)CC1 G-7518 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 L13270 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P43901 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 G-7987 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 P48357 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 G-6710 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 L21398 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 G-6711 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.10 C[C@]1(O)CC[C@H](O)CC1 P49152 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.10 OC1CCC(F)(F)CC1 F-4340 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 C[C@@H]1CC[C@@H](O)CN1C Q56746 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 C[C@H]1CC[C@H](O)CN1C Q56721 [0,1,0,0,0,0|3,0,0]=4 126 B9R2.49 C1CC2CNC1CO2 F-4826 [0,0,0,1,0,0|3,0,0]=4 127 B9R2.49 C1CC2CNC1CO2 G-7378 [0,0,0,1,0,0|3,0,0]=4 128 B9R2.49 C1CC2CNC1CO2 P46194 [0,0,0,1,0,0|3,0,0]=4 129 B9R2.49 C1CC2CNC1CO2 P46621 [0,0,0,1,0,0|3,0,0]=4 130 B9R2.49 C1CC2CNC1CO2 Q56526 [0,0,0,1,0,0|3,0,0]=4 131 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57044 [0,0,0,1,0,0|3,0,0]=4 132 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57045 [0,0,0,1,0,0|3,0,0]=4 133 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 Q57046 [0,0,0,1,0,0|3,0,0]=4 134 B9R2.110 OC12CCC(CC1)C2 P45527 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.2 CC1CC(O)CN1 Q59204 [0,0,0,0,1,0|2,0,0]=3 136 B7R1.2 CC1CC(O)CN1 Q59205 [0,0,0,0,1,0|2,0,0]=3 137 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.2 CN1CCC(O)C1 C-3294 [0,0,0,0,1,0|3,0,0]=4 139 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,0,0,0,1,0|3,0,0]=4 140 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,0,0,0,1,0|3,0,0]=4 141 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,0,1,0|3,0,0]=4 142 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,0,0,0,1,0|2,0,0]=3 143 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,0,0,0,1,0|3,0,0]=4 144 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,0,0,0,1,0|2,0,0]=3 145 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,0,0,0,1,0|2,0,0]=3 146 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,0,0,0,1,0|2,0,0]=3 147 B7R1.2 NC1CCC(F)C1 Q54470 [0,0,0,0,1,0|3,0,0]=4 148 B7R1.2 NC1CCC(F)C1 Q54471 [0,0,0,0,1,0|3,0,0]=4 149 B7R1.2 NC1CCC(O)C1 G-5810 [0,0,0,0,1,0|2,0,0]=3 150 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,0,0,0,1,0|3,0,0]=4 151 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,0,0,0,1,0|3,0,0]=4 152 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,0,0,0,1,0|3,0,0]=4 153 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,0,0,0,1,0|2,0,0]=3 154 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,0,0,0,1,0|2,0,0]=3 155 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,0,0,0,1,0|2,0,0]=3 156 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,0,0,0,1,0|2,0,0]=3 158 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,0,0,0,1,0|2,0,0]=3 159 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,0,0,0,1,0|3,0,0]=4 160 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,0,0,0,1,0|3,0,0]=4 161 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,0,0,0,1,0|3,0,0]=4 162 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,0,0,0,1,0|2,0,0]=3 163 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,0,0,0,1,0|2,0,0]=3 164 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,0,0,0,1,0|2,0,0]=3 165 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,0,0,0,1,0|3,0,0]=4 166 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,0,0,0,1,0|2,0,0]=3 167 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,0,0,0,1,0|2,0,0]=3 168 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,0,1,0|1,0,2]=4 169 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,0,1,0|1,0,2]=4 170 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,0,1,0|1,0,2]=4 171 B7R1.2 OC1CCC(F)C1 Q55723 [0,0,0,0,1,0|2,0,0]=3 172 B7R1.2 OC1CCC(O)C1 L14091 [0,0,0,0,1,0|1,0,0]=2 173 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,0,0,0,1,0|2,0,1]=4 174 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,0,0,0,1,0|2,0,1]=4 175 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,0,0,0,1,0|1,0,1]=3 176 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,0,0,0,1,0|1,0,0]=2 177 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,0,0,0,1,0|2,0,1]=4 178 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,0,0,0,1,0|2,0,1]=4 179 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,0,0,0,1,0|1,0,0]=2 180 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,0,0,0,1,0|1,0,0]=2 181 B6R0.1 CCC(S)CCO O29430 [1,0,1,0,0,0|1,1,0]=4 182 B6R0.6 OCCOCCBr P37296 [1,0,1,0,0,0|1,1,0]=4 183 B6R0.6 OCCOCCI P41754 [1,0,1,0,0,0|1,1,0]=4 184 B8R1.2 CNC1CCCSC1 Q57932 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.2 CNC1CCCSC1 Q57933 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.2 COC1CCCNC1 C-3504 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.2 COC1CCCNC1 M22805 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.2 CO[C@@H]1CCCNC1 L13637 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.2 CO[C@H]1CCCNC1 G-5239 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.2 CO[C@H]1CCCNC1 L21633 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.2 N#CC1CCCCS1 Q57985 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.2 NCC1CCCCS1 Q57980 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.2 NCC1CCCSC1 Q57994 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.2 OCC1CCCCS1 Q57888 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.2 OCC1CCCOC1 F-4498 [1,1,0,0,0,0|1,1,0]=4 197 B8R1.2 OCC1CCCSC1 Q57993 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.2 OCC1CNCCO1 B-1078 [1,1,0,0,0,0|1,1,0]=4 199 B8R1.2 OCC1COCCN1 B-1087 [1,1,0,0,0,0|1,1,0]=4 200 B8R1.2 OCC1COCCO1 K16125 [1,1,0,0,0,0|0,2,0]=4 201 B8R1.2 OC[C@@H]1CCCCN1 M23455 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [1,1,0,0,0,0|1,1,0]=4 203 B8R1.2 OC[C@@H]1CCCNC1 P44488 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.2 OC[C@@H]1CCCOC1 P43927 [1,1,0,0,0,0|1,1,0]=4 205 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [1,1,0,0,0,0|1,1,0]=4 207 B8R1.2 OC[C@@H]1COCCN1 B-1089 [1,1,0,0,0,0|1,1,0]=4 208 B8R1.2 OC[C@@H]1COCCO1 O34308 [1,1,0,0,0,0|0,2,0]=4 209 B8R1.2 OC[C@H]1CCCCN1 M23615 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.2 OC[C@H]1CCCCO1 P43928 [1,1,0,0,0,0|1,1,0]=4 211 B8R1.2 OC[C@H]1CCCNC1 O31559 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.2 OC[C@H]1CCCNC1 P41232 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.2 OC[C@H]1CCCOC1 P43926 [1,1,0,0,0,0|1,1,0]=4 214 B8R1.2 OC[C@H]1CNCCO1 B-1079 [1,1,0,0,0,0|1,1,0]=4 215 B8R1.2 OC[C@H]1COCCN1 B-1088 [1,1,0,0,0,0|1,1,0]=4 216 B8R1.2 OC[C@H]1COCCO1 O34310 [1,1,0,0,0,0|0,2,0]=4 217 B8R1.4 CN1CCCC(O)C1 C-3297 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.4 NC1CCCC(O)C1 F-4485 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.4 NC1CCCC(O)C1 P51354 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.4 NC1COCC(O)C1 O33183 [1,1,0,0,0,0|1,1,0]=4 229 B8R1.4 NC1COCC(O)C1 Q61082 [1,1,0,0,0,0|1,1,0]=4 230 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [1,1,0,0,0,0|1,1,0]=4 235 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [1,1,0,0,0,0|1,1,0]=4 236 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [1,1,0,0,0,0|1,1,0]=4 237 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [1,1,0,0,0,0|1,1,0]=4 243 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [1,1,0,0,0,0|1,1,0]=4 244 B8R1.4 O=C1CCCC(O)C1 L18346 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 OC1COCC(F)C1 Q54619 [1,1,0,0,0,0|1,1,0]=4 247 B8R1.4 OC1COCC(O)C1 Q54618 [1,1,0,0,0,0|1,1,0]=4 248 B8R1.4 O[C@@H]1CNC[C@H](O)C1 Q61083 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.4 O[C@H]1CNC[C@H](O)C1 Q61084 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.5 CC1CCNCC1O F-4041 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.5 CC1CCNCC1O G-7991 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.5 CC1NCCCC1O Q61133 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [1,1,0,0,0,0|1,1,0]=4 271 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [1,1,0,0,0,0|1,1,0]=4 272 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [1,1,0,0,0,0|1,1,0]=4 273 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [1,1,0,0,0,0|1,1,0]=4 274 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [1,1,0,0,0,0|1,1,0]=4 275 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [1,1,0,0,0,0|1,1,0]=4 282 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [1,1,0,0,0,0|1,1,0]=4 283 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [1,1,0,0,0,0|1,1,0]=4 284 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [1,1,0,0,0,0|1,1,0]=4 285 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [1,1,0,0,0,0|1,1,0]=4 286 B8R1.5 OC1CCCCC1Br Q59575 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.5 OC1CCOCC1O Q54610 [1,1,0,0,0,0|1,1,0]=4 288 B8R1.5 O[C@@H]1CCOC[C@H]1O Q62887 [1,1,0,0,0,0|1,1,0]=4 289 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [1,1,0,0,0,0|1,1,0]=4 299 B8R1.72 CC1(O)CCCNC1 A-831 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.72 CC1(O)CCCNC1 M22629 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.72 CC1(O)CCCOC1 Q65022 [1,1,0,0,0,0|1,1,0]=4 302 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.72 C[C@]1(O)CCCNC1 P44137 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.1 CC1CC(CO)CN1 Q61629 [0,1,0,0,1,0|2,0,0]=4 305 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,0,1,0|2,0,0]=4 306 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,0,1,0|2,0,0]=4 307 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,0,1,0|1,0,0]=3 308 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 Q63544 [0,1,0,0,1,0|1,0,1]=4 309 B8R1.1 CO[C@@H]1C=C[C@H](O)C1 Q63542 [0,1,0,0,1,0|1,0,1]=4 310 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,0,1,0|1,0,0]=3 313 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,0,1,0|2,0,0]=4 314 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,0,1,0|2,0,0]=4 315 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.1 CO[C@@H]1CN[C@@H](C)C1 Q61885 [0,1,0,0,1,0|2,0,0]=4 317 B8R1.1 CO[C@@H]1CN[C@H](C)C1 Q61884 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.1 CO[C@H]1C=C[C@@H](O)C1 Q63543 [0,1,0,0,1,0|1,0,1]=4 319 B8R1.1 CO[C@H]1C=C[C@H](O)C1 Q63545 [0,1,0,0,1,0|1,0,1]=4 320 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,0,1,0|2,0,0]=4 323 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.1 CO[C@H]1CN[C@@H](C)C1 Q61883 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.1 CO[C@H]1CN[C@H](C)C1 Q61886 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.1 C[C@H]1C[C@@H](CO)CN1 Q61880 [0,1,0,0,1,0|2,0,0]=4 328 B8R1.1 C[C@H]1C[C@H](CO)CN1 Q61879 [0,1,0,0,1,0|2,0,0]=4 329 B8R1.1 N#C[C@H]1C[C@H](O)CN1 Q64935 [0,1,0,0,1,0|2,0,0]=4 330 B8R1.1 NCC1CC(O)CN1 Q59300 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,0,1,0|2,0,0]=4 333 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,0,1,0|2,0,0]=4 334 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,0,1,0|2,0,0]=4 335 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,1,0,0,1,0|1,0,1]=4 336 B8R1.1 OCC1CC(O)CN1 Q59342 [0,1,0,0,1,0|1,0,0]=3 337 B8R1.1 OCC1CCC(F)C1 Q52910 [0,1,0,0,1,0|2,0,0]=4 338 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,1,0,0,1,0|2,0,0]=4 339 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 Q61815 [0,1,0,0,1,0|2,0,0]=4 340 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [0,1,0,0,1,0|1,0,0]=3 341 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [0,1,0,0,1,0|1,0,0]=3 342 B8R1.1 OC[C@@H]1C[C@H](F)CN1 H-8865 [0,1,0,0,1,0|2,0,0]=4 343 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [0,1,0,0,1,0|1,0,0]=3 344 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,1,0,0,1,0|2,0,0]=4 345 B8R1.1 OC[C@H]1C[C@@H](F)CN1 Q61817 [0,1,0,0,1,0|2,0,0]=4 346 B8R1.1 OC[C@H]1C[C@H](F)CN1 Q61816 [0,1,0,0,1,0|2,0,0]=4 347 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [0,1,0,0,1,0|1,0,0]=3 348 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,0,1,0|2,0,0]=4 349 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,0,1,0|2,0,0]=4 350 B8R1.51 CC1(C)CC(O)CN1 L22151 [0,1,0,0,1,0|2,0,0]=4 351 B8R1.51 CC1(O)CCC(N)C1 P50831 [0,1,0,0,1,0|2,0,0]=4 352 B8R1.51 CC1(O)CCC(N)C1 Q56519 [0,1,0,0,1,0|2,0,0]=4 353 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [0,1,0,0,1,0|2,0,0]=4 354 B8R1.51 OC1CCC(F)(F)C1 K12083 [0,1,0,0,1,0|2,0,0]=4 355 B8R1.51 O[C@@H]1CCC(F)(F)C1 Q55062 [0,1,0,0,1,0|2,0,0]=4 356 B8R1.51 O[C@H]1CCC(F)(F)C1 Q55061 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.3 COC1CCC(CO)CC1 P43009 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.3 CO[C@H]1CC[C@@H](CO)CC1 P49379 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.3 OC[C@H]1CC[C@H](CO)CC1 P44658 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.13 O=C(O)C1CCC(O)CC1 P44657 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Q61202 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 Q61203 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H-8229 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 I-9385 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 L13648 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 I-9653 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 Q65016 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 F-4662 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CN1 Q52585 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.10 OCCNC1CSC1 Q58886 [0,0,1,1,0,0|2,0,0]=4 371 B8R2.2 OC12CNCC1C2 Q63904 [1,0,0,1,0,0|2,0,0]=4 372 B8R2.2 OC12CNCC1C2 Q63905 [1,0,0,1,0,0|2,0,0]=4 373 B8R2.18 OC1CC2CC2C1 P44932 [1,0,0,1,0,0|2,0,0]=4 374 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [1,0,0,1,0,0|2,0,0]=4 375 B8R2.23 C1NCC2CC1O2 G-6636 [1,0,0,1,0,0|2,0,0]=4 376 B8R2.23 C1NCC2CC1O2 L13316 [1,0,0,1,0,0|2,0,0]=4 377 B8R2.23 C1SCC2CC1N2 P47949 [1,0,0,1,0,0|2,0,0]=4 378 B8R2.25 C1CC2OC2CO1 L14578 [1,0,0,1,0,0|1,1,0]=4 379 B8R2.34 C1SC2CNC1C2 L20964 [1,0,0,1,0,0|2,0,0]=4 380 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49104 [1,0,0,1,0,0|2,0,0]=4 381 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49118 [1,0,0,1,0,0|2,0,0]=4 382 B8R2.34 C1S[C@H]2CN[C@@H]1C2 P46737 [1,0,0,1,0,0|2,0,0]=4 383 B10R2.571 OC12CCC(O)(CC1)C2 P45400 [0,1,0,1,0,0|2,0,0]=4 384 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,0,1,0,1,0|2,0,0]=4 385 B6R0.2 CC(O)CC(=O)O P38963 [0,0,1,0,1,0|0,1,1]=4 386 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,1,0,1,0|0,1,1]=4 387 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,1,0,1,0|0,1,1]=4 388 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,0,1,0|1,1,0]=4 389 B6R1.2 CC1CCCN1 Q61737 [1,0,0,0,1,0|2,0,0]=4 390 B6R1.2 CC1CCNC1 M22664 [1,0,0,0,1,0|2,0,0]=4 391 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,0,1,0|2,0,0]=4 392 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,0,1,0|2,0,0]=4 393 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,0,1,0|2,0,0]=4 394 B6R1.2 ClC1CCNC1 P42791 [1,0,0,0,1,0|2,0,0]=4 395 B6R1.2 FC1CCNC1 A-349 [1,0,0,0,1,0|2,0,0]=4 396 B6R1.2 FC1CCNC1 C-2208 [1,0,0,0,1,0|2,0,0]=4 397 B6R1.2 FC1CCNC1 P51370 [1,0,0,0,1,0|2,0,0]=4 398 B6R1.2 F[C@@H]1CCNC1 O33274 [1,0,0,0,1,0|2,0,0]=4 399 B6R1.2 F[C@H]1CCNC1 A-348 [1,0,0,0,1,0|2,0,0]=4 400 B6R1.2 F[C@H]1CCNC1 L22005 [1,0,0,0,1,0|2,0,0]=4 401 B6R1.2 IC1CCCC1 I-9679 [1,0,0,0,1,0|2,0,0]=4 402 B6R1.2 IC1CCOC1 C-3308 [1,0,0,0,1,0|1,1,0]=4 403 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,0,1,0|1,1,0]=4 404 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,0,1,0|1,1,0]=4 405 B6R1.2 NC1CCOC1 B-1171 [1,0,0,0,1,0|1,1,0]=4 406 B6R1.2 NC1CCOC1 P39935 [1,0,0,0,1,0|1,1,0]=4 407 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,0,1,0|1,1,0]=4 408 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,0,1,0|1,1,0]=4 409 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,0,1,0|1,1,0]=4 410 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,0,1,0|1,1,0]=4 411 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,0,1,0|0,0,2]=4 412 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,0,1,0|1,0,1]=4 413 B6R1.2 OC1CCNC1 G-5959 [1,0,0,0,1,0|1,0,0]=3 414 B6R1.2 OC1CCNC1 I-9548 [1,0,0,0,1,0|1,0,0]=3 415 B6R1.2 OC1CCOC1 C-3328 [1,0,0,0,1,0|0,1,0]=3 416 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,0,1,0|0,1,0]=3 417 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,0,1,0|0,1,0]=3 418 B6R1.4 CC1CCC1O L20058 [0,0,0,0,2,0|2,0,0]=4 419 B6R1.4 CC1NCC1O P44849 [0,0,0,0,2,0|2,0,0]=4 420 B6R1.4 CC1NCC1O P44851 [0,0,0,0,2,0|2,0,0]=4 421 B6R1.4 CC1OCC1O L18037 [0,0,0,0,2,0|1,1,0]=4 422 B6R1.4 C[C@@H]1NCC1O P47321 [0,0,0,0,2,0|2,0,0]=4 423 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,0,0,0,2,0|2,0,0]=4 424 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,0,0,0,2,0|2,0,0]=4 425 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,0,0,0,2,0|2,0,0]=4 426 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,0,0,0,2,0|2,0,0]=4 427 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,0,0,0,2,0|2,0,0]=4 428 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,0,0,0,2,0|2,0,0]=4 429 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,0,0,0,2,0|2,0,0]=4 430 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,0,0,2,0|1,1,0]=4 431 B6R1.4 C[C@H]1NCC1O P50087 [0,0,0,0,2,0|2,0,0]=4 432 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,0,0,0,2,0|2,0,0]=4 433 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,0,0,0,2,0|2,0,0]=4 434 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,0,0,0,2,0|2,0,0]=4 435 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,0,0,2,0|1,1,0]=4 436 B6R1.4 NC1CCC1O P45290 [0,0,0,0,2,0|2,0,0]=4 437 B6R1.4 NC1CCC1O P48134 [0,0,0,0,2,0|2,0,0]=4 438 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,0,0,0,2,0|2,0,0]=4 439 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,0,0,0,2,0|2,0,0]=4 440 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,0,0,0,2,0|2,0,0]=4 441 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,0,0,0,2,0|2,0,0]=4 442 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,0,0,0,2,0|2,0,0]=4 443 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,0,0,0,2,0|2,0,0]=4 444 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,0,0,0,2,0|2,0,0]=4 445 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,0,0,0,2,0|2,0,0]=4 446 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,0,0,0,2,0|2,0,0]=4 447 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,0,0,0,2,0|2,0,0]=4 448 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,0,0,0,2,0|2,0,0]=4 449 B6R1.4 OC1CCC1F P46352 [0,0,0,0,2,0|2,0,0]=4 450 B6R1.4 OC1CCC1O P50009 [0,0,0,0,2,0|1,0,0]=3 451 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,0,0,0,2,0|1,0,0]=3 452 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,0,0,0,2,0|1,0,0]=3 453 B6R1.5 C=C1CC(O)C1 P45320 [0,0,0,0,2,0|1,0,1]=4 454 B6R1.5 CC1CC(N)C1 P44935 [0,0,0,0,2,0|2,0,0]=4 455 B6R1.5 CC1CC(N)C1 P44936 [0,0,0,0,2,0|2,0,0]=4 456 B6R1.5 CC1CC(O)C1 P44316 [0,0,0,0,2,0|1,0,0]=3 457 B6R1.5 CN1CC(O)C1 C-2454 [0,0,0,0,2,0|2,0,0]=4 458 B6R1.5 CN1CC(O)C1 C-2454-1 [0,0,0,0,2,0|2,0,0]=4 459 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,0,0,0,2,0|2,0,0]=4 460 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,0,0,0,2,0|2,0,0]=4 461 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,0,0,0,2,0|1,0,0]=3 462 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,0,0,0,2,0|2,0,0]=4 463 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,0,0,0,2,0|2,0,0]=4 464 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,0,0,0,2,0|1,0,0]=3 465 B6R1.5 NC1CC(F)C1 C-3436 [0,0,0,0,2,0|2,0,0]=4 466 B6R1.5 NC1CC(F)C1 C-3436-1 [0,0,0,0,2,0|2,0,0]=4 467 B6R1.5 NC1CC(N)C1 G-7909 [0,0,0,0,2,0|2,0,0]=4 468 B6R1.5 NC1CC(N)C1 P48839 [0,0,0,0,2,0|2,0,0]=4 469 B6R1.5 NC1CC(O)C1 C-3623 [0,0,0,0,2,0|1,0,0]=3 470 B6R1.5 NC1CC(O)C1 L13650 [0,0,0,0,2,0|1,0,0]=3 471 B6R1.5 NN1CC(O)C1 L18024 [0,0,0,0,2,0|2,0,0]=4 472 B6R1.5 NN1CC(O)C1 P44948 [0,0,0,0,2,0|2,0,0]=4 473 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [0,0,0,0,2,0|2,0,0]=4 474 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [0,0,0,0,2,0|2,0,0]=4 475 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [0,0,0,0,2,0|2,0,0]=4 476 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [0,0,0,0,2,0|2,0,0]=4 477 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [0,0,0,0,2,0|2,0,0]=4 478 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [0,0,0,0,2,0|1,0,0]=3 479 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [0,0,0,0,2,0|1,0,0]=3 480 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [0,0,0,0,2,0|2,0,0]=4 481 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [0,0,0,0,2,0|2,0,0]=4 482 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [0,0,0,0,2,0|2,0,0]=4 483 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [0,0,0,0,2,0|2,0,0]=4 484 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [0,0,0,0,2,0|1,0,0]=3 485 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [0,0,0,0,2,0|1,0,0]=3 486 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,0,2,0|0,0,2]=4 487 B6R1.5 OC1CC(F)C1 I-9823 [0,0,0,0,2,0|1,0,0]=3 488 B6R1.5 OC1CC(O)C1 P45378 [0,0,0,0,2,0|0,0,0]=2 489 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [0,0,0,0,2,0|1,0,0]=3 490 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [0,0,0,0,2,0|0,0,0]=2 491 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [0,0,0,0,2,0|1,0,0]=3 492 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [0,0,0,0,2,0|0,0,0]=2