0 B5R0.5 B(C(C)C)(O)O AB08847 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 CC(C(=O)N)N AB43014 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(C)C(=N)N AB07702 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 CC(C)C(=S)N AB32169 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 C#CC(=O)N MB03070 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 C(C(=N)N)Cl AB02229 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|0,0,2]=3 13 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 CC(C)C(=N)NN AB56371 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.3 CC(C)C(=O)NN PB30560 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.3 CC(C)C(C#N)O AB07208 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.3 CN(C(=O)N)N=O CB10099 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 COC(=O)C(=N)N AB50977 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.7 CC(C)(C)C(=N)N AB02164 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.7 CC(C)(C)S(=O)N PB24744 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [0,1,0,0,0,0|2,0,1]=4 36 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.11 C1CC1C(=S)N AB50595 [0,0,0,1,0,0|2,1,0]=4 39 B6R0.2 B(CC(C)C)(O)O AB03722 [0,0,0,0,0,1|2,0,1]=4 40 B6R0.2 CC(C)CC(=N)N AB60903 [0,0,0,0,0,1|3,0,0]=4 41 B6R0.2 CC(C)CC(=S)N AB52630 [0,0,0,0,0,1|2,1,0]=4 42 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,0,0,0,0,1|2,0,1]=4 43 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 45 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 B(CCC)(O)O AB08045 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 C#CCC(=O)O AB11673 [1,1,0,0,0,0|0,0,1]=3 48 B5R0.1 C(CCl)C(=N)N AB30465 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.1 C(CO)C(=N)N AB48909 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.1 C=C(CCCl)I MB13669 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(=O)\C=N\O AB00206 [1,1,0,0,0,0|0,0,2]=4 53 B5R0.1 CC(C)N=C=O AB00193 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.3 C(=O)C(C=O)Br PB21703 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.3 C=C(CO)CO PB20901 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.3 CCC(=N)NN AB56212 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|0,0,1]=3 58 B5R0.3 CCC(=O)NN PB26058 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.3 COC(=O)CN AB01112 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.3 C[C@@H](CO)NC AB31545 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.2 CCC(CC(=O)O)N AB01525 [0,1,0,0,0,1|1,0,0]=3 62 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,1,0,0,0,1|1,0,1]=4 63 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,1,0,0,0,1|1,0,1]=4 64 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [0,1,0,0,0,1|2,0,0]=4 65 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,1,0,0,0,1|2,0,0]=4 66 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,1,0,0,0,1|1,0,0]=3 67 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,1,0,0,0,1|1,0,0]=3 68 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.13 CC(C)(CN)C(=O)N PB29404 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.13 CC(C)(CN)C(=O)O AB49662 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,2,0,0,0,0|0,0,0]=2 79 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,2,0,0,0,0|0,1,0]=3 80 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,2,0,0,0,0|0,0,0]=2 81 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,2,0,0,0,0|0,1,0]=3 82 B7R0.14 CC(C)(C(=O)OC)F AB13921 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.14 CC(C)(C)C(=O)C=O AB08363 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.14 CC(C)(C)C(=O)CN AB29945 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.15 CCC(CN)C(=O)O AB62466 [0,2,0,0,0,0|1,0,0]=3 86 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|2,0,0]=4 87 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,0,0]=3 88 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,1,0]=4 89 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|1,0,1]=4 90 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|1,0,1]=4 91 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|1,0,1]=4 92 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|1,0,1]=4 93 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|1,0,1]=4 94 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|1,0,1]=4 96 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|0,0,1]=3 97 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|0,1,1]=4 98 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,1,0,1|2,0,0]=4 99 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,1,0,1|1,0,0]=3 100 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,1,0,1|1,0,0]=3 101 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,1,0,1|1,1,0]=4 102 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,0,1,0,1|1,0,0]=3 103 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,0,1,0,1|2,0,0]=4 104 B7R1.20 C1CC1CC(=O)O PB21648 [0,0,0,1,0,1|1,0,0]=3 105 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|0,0,0]=2 109 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|0,0,0]=2 117 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|0,0,0]=2 122 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.22 C1CC1C(=O)CBr AB45693 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.22 C1CC1C(=O)NN PB14101 [0,1,0,1,0,0|2,0,0]=4 126 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,0,0,0,0,2|0,0,2]=4