0 B5R0.1 CCOC(C)=O 00757 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CCOC(C)=O 30066 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CN(C)CCN 22268 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 O=[Bi]O[N+](=O)[O-] 30563 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C#CC(C)N 18527 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(=O)O[Ag] 27325 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(=O)O[TlH2] 01944 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CC(C)NN 31308 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 CC(C)NO 31263 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CC(O)CO 02837 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(O)CO 30099 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CN(C)C=O 00575 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 CN(C)C=O 30143 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 COC(C)=N 02332 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 COC(Cl)Cl 02299 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](N)CO 03170 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C[C@@H](O)CN 16633 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C[C@H](N)CO 03169 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C[C@H](O)CN 16632 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C[N+](C)=CCl 30327 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 C#CCCC 27222 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 C=CCCBr 24439 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.2 CCCCBr 24440 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CCNCC 14089 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 O=[As]O[As]=O 30201 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.2 O=[Bi]O[Bi]=O 30564 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.2 O=[Bi]O[Bi]=O 30659 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.2 O=[Co]O[Co]=O 30583 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 O=[Co]O[Co]=O 30664 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 O=[Cr]O[Cr]=O 27259 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 O=[Ni]O[Ni]=O 30626 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.2 CC(=O)CC(C)=O 02346 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.2 CC(=O)OC(C)=O 00819 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.2 CC(=O)OC(C)=O 30148 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.2 CC(C)NC(C)C 00951 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(C)NC(C)C 00961 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.2 CC(C)OC(C)C 29985 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.2 CC(N)CC(=O)O 21614 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.2 CC(O)CC(=O)[O-] 22037 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.2 C[C@@H](N)CC(=O)O 16636 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.2 C[C@H](N)CC(=O)O 12762 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.2 C[C@H](N)CC(=O)O 21056 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 C=CC(=O)N(C)C 30343 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CC(C)[C@@H](N)CO 05378 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CC(C)[C@H](N)CO 03236 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.3 CC(C)[C@H](N)CO 21447 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.3 COC(=N)C(C)C 24297 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.4 CC(C)NCCN 22357 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 CCCNC(C)C 22381 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.5 CC(C)(C)CC=O 27622 [0,1,0,0,0,0|1,0,0]=2 50 B3R0.1 CCON 27342 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.1 CNOC 02098 [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 C=[N+](C)C 31541 [2,0,0,0,0,0|1,0,0]=3 53 B3R0.2 CC(=O)O 00594 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.2 CC(=O)O 02028 [2,0,0,0,0,0|1,0,1]=4 55 B3R0.2 CC(=O)O 21997 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.2 CC(=O)O 30173 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.2 CC(=O)[O-] 00266 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 CC(=O)[O-] 01243 [2,0,0,0,0,0|1,0,1]=4 59 B3R0.2 CC(=O)[O-] 01258 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.2 CC(=O)[O-] 26484 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.2 CC(=O)[O-] 26485 [2,0,0,0,0,0|1,0,1]=4 62 B3R0.2 CC(=O)[O-] 29853 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.2 CC(=O)[O-] 29854 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.2 CC(=O)[O-] 30055 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.2 CC(=O)[O-] 30594 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.2 CC(=O)[O-] 30668 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 CC(=O)[O-] 30684 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.2 CC(=O)[O-] 31631 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.2 CC(C)=O 02889 [2,0,0,0,0,0|0,0,1]=3 70 B3R0.2 CC(C)=O 30101 [2,0,0,0,0,0|0,0,1]=3 71 B3R0.2 CC(C)I 00790 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 CC(N)=O 06814 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 CN(C)C 30724 [2,0,0,0,0,0|1,0,1]=4 74 B3R0.2 CS(C)=O 00635 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.2 CS(C)=O 30145 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 O=CC(O)CO 20937 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.3 O=C[C@H](O)CO 21212 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.4 CC(C)(C)NO 31262 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.4 CC(C)(C)ON 31330 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.4 CC(C)(N)CO 00681 [1,1,0,0,0,0|0,0,2]=4 81 B5R0.4 CC(C)(N)CO 01156 [1,1,0,0,0,0|0,0,2]=4 82 B5R0.5 CC(=O)C(=O)O 01522 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.5 CC(=O)C(=O)[O-] 01189 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.5 CC(=O)C(C)O 02002 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.5 CC(=O)N(C)C 02302 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.5 CC(Br)C(=O)O 24474 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.5 CC(C)B(O)O 28500 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.5 CC(N)C(=O)O 00017 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.5 CC(O)C(=O)O 32027 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.5 CC(O)C(=O)[O-] 01614 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.5 CC(O)C(=O)[O-] 26499 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.5 CN(C)C(=N)N 27353 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.5 CN(C)C(N)=O 21201 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.5 C[C@@H](Cl)C(=O)O 09842 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.5 C[C@@H](N)C(=O)O 00016 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 C[C@@H](N)C(=O)O 00221 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.5 C[C@@H](N)C(N)=O 03011 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.5 C[C@@H](O)C(=O)O 08023 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.5 C[C@H](Cl)C(=O)O 09905 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.5 C[C@H](N)C(=O)O 00019 [1,1,0,0,0,0|1,0,0]=3 101 B5R0.5 C[C@H](N)C(=O)O 26711 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.5 C[C@H](N)C(=O)O 26712 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.5 C[C@H](N)C(N)=O 03010 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.5 C[C@H](N)C(N)=O 05831 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.5 C[C@H](N)C(N)=O 05832 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.5 C[C@H](O)C(=O)O 21919 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.5 C[C@H](O)C(=O)[O-] 00420 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.5 O=C(O)C(Cl)Cl 00504 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.5 O=C(O)C(F)F 24475 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.2 C=CCCCN 20850 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.2 CC(C)OC(=O)CN 12060 [0,2,0,0,0,0|0,0,0]=2 112 B7R0.2 NCC(O)CC(=O)O 12034 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.2 N[C@@H](CO)CC(=O)O 12753 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.2 N[C@H](CO)CC(=O)O 15222 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.5 C[C@H](NC=O)C(=O)O 04404 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.10 O=C[C@H](O)[C@H](O)CO 21235 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.9 CC(=O)OC(C)(C)C 06819 [0,2,0,0,0,0|0,0,0]=2 118 B7R0.9 CC(C)(C)OC(N)=O 31379 [0,2,0,0,0,0|0,0,0]=2 119 B7R0.9 C[N+](C)(C)CC(=O)O 29816 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.9 C[N+](C)(C)CC(=O)[O-] 00661 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.9 C[N+](C)(C)CC(=O)[O-] 30723 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.16 CC(C)C(N)C(=O)O 00627 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.16 CC(C)[C@@H](N)C(=O)O 00316 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.16 CC(C)[C@@H](N)C(N)=O 04459 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.16 CC(C)[C@@H](O)C(=O)O 05646 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.16 CC(C)[C@H](N)C(=O)O 00317 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.16 CC(C)[C@H](N)C(N)=O 03166 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.16 CC(C)[C@H](N)C(N)=O 06265 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.16 CC(C)[C@H](O)C(=O)O 06278 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 05936 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 06032 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 00282 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 03143 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00368 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00724 [0,2,0,0,0,0|2,0,0]=4 136 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 05846 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.4 CN(C)CCCC=O 18994 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.8 CC(C)(C)OCCN 16112 [0,2,0,0,0,0|1,0,1]=4 139 B5R1.3 BrCC1CC1 07249 [1,0,0,1,0,0|1,0,1]=4 140 B5R1.1 C1CCOC1 00761 [1,0,0,1,0,0|1,0,1]=4 141 B5R1.1 C1CCOC1 04835 [1,0,0,1,0,0|1,0,1]=4 142 B5R1.1 C1COCO1 26865 [1,0,0,1,0,0|0,0,2]=4 143 B7R1.2 O=C1CCC(=O)O1 02106 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.6 CCOC1CNC1 20129 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.20 O=C(O)CC1CC1 17070 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.7 ClCCOC1CC1 19529 [0,1,0,1,0,0|1,0,1]=4