0 B5R0.5 CC(B(O)O)C AK-46096 [0,0,0,0,0,0|3,1,0]=4 1 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,0,0|1,2,1]=4 3 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,0,0|1,2,1]=4 7 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CCB(O)O AK-25979 [1,0,0,0,0,0|2,1,0]=4 14 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|1,1,0]=3 16 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|0,2,0]=3 19 B4R0.1 C[C@H](N)C#C AK167739 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|0,2,0]=3 23 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|2,1,0]=4 25 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CC(C)C(N)CO AK-62680 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 CC(N)C(OC)=O AK-48822 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,1,0,0,0,0|1,1,0]=3 29 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,1,0,0,0,0|1,1,0]=3 31 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.7 CC(N)C(F)(F)F AK-34572 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.7 C[C@@H](N)C(F)(F)F AK-45051 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.7 C[C@H](N)C(F)(F)F AK157726 [0,1,0,0,0,0|3,0,0]=4 37 B6R1.11 CC(N)C1CC1 AK-59911 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.11 C[C@H](N)C1CC1 AK166914 [0,0,0,1,0,0|2,0,0]=3 39 B6R0.2 CC(C)NC(C)C AK101661 [0,0,0,0,0,1|2,0,0]=3 40 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,0,1|1,1,1]=4 41 B6R0.2 NC(C)CC(C)C AK205814 [0,0,0,0,0,1|2,0,0]=3 42 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,0]=3 44 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|2,0,0]=4 45 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 46 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,1,0]=4 48 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 CN(CCBr)C AK-35597 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 C[C@@H](N)CC#N AK203337 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.1 C[C@@H](N)CCC AK608015 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,1,0]=3 55 B5R0.1 C[C@H](N)CC#N AK173140 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 C[C@H](N)CCC AK171191 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.1 NOCC(C)C AK-83418 [1,1,0,0,0,0|1,1,0]=4 59 B5R0.3 C(C(CN)O)N AK-49066 [1,1,0,0,0,0|1,1,0]=4 60 B5R0.3 CC(CCl)CBr AK112650 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|0,1,1]=4 62 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|0,1,1]=4 63 B5R0.3 CCC(N)CO AK-57405 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.3 CC[C@@H](O)CO AK110229 [1,1,0,0,0,0|0,1,0]=3 65 B5R0.3 CC[C@H](N)CO AK-86460 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.3 CC[C@H](O)CO AK110230 [1,1,0,0,0,0|0,1,0]=3 67 B5R0.3 C[C@@H](OC)CN AK153940 [1,1,0,0,0,0|1,1,0]=4 68 B5R0.3 OC(CCl)CN AK123258 [1,1,0,0,0,0|1,1,0]=4 69 B5R0.3 OC[C@@H](O)CN AK-35849 [1,1,0,0,0,0|0,2,0]=4 70 B5R0.3 OC[C@H](O)CN AK-36032 [1,1,0,0,0,0|0,2,0]=4 71 B5R0.3 O[C@H](CCl)CN AK123304 [1,1,0,0,0,0|1,1,0]=4 72 B5R0.4 CC(C)(C)CN AK-64580 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(O)(C)CN AK-37803 [1,1,0,0,0,0|1,1,0]=4 74 B5R0.4 CC(O)(C)CO AK112021 [1,1,0,0,0,0|0,2,0]=4 75 B5R0.4 NCC(F)(F)C AK-35117 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,0,0,0,1|2,0,0]=4 77 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,0,0,0,1|2,0,0]=4 78 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,1,0,0,0,1|2,0,0]=4 79 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,2,0,0,0,0|0,2,0]=4 81 B7R0.14 N[C@@H](C(C)(C)C)CO AK-41272 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.14 N[C@H](C(C)(C)C)CO AK-45084 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.15 CC(C)C(CC)CO AK-40568 [0,2,0,0,0,0|1,1,0]=4 84 B7R0.17 CC(O)(C)C(O)(C)C AK-97263 [0,2,0,0,0,0|0,2,0]=4 85 B5R1.2 FC1CNC1 AK-35869 [1,0,0,1,0,0|2,0,0]=4 86 B5R1.2 IC1COC1 AK115961 [1,0,0,1,0,0|1,1,0]=4 87 B5R1.2 NC1CNC1 AK-32674 [1,0,0,1,0,0|2,0,0]=4 88 B5R1.2 NC1COC1 AK-49035 [1,0,0,1,0,0|1,1,0]=4 89 B5R1.2 NC1COC1 AK122281 [1,0,0,1,0,0|1,1,0]=4 90 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|0,1,1]=4 91 B5R1.2 OC1CNC1 AK-25536 [1,0,0,1,0,0|1,1,0]=4 92 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|0,2,0]=4 93 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.4 N[C@H]1[C@H](F)C1 AK184204 [1,0,0,1,0,0|2,0,0]=4 95 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.5 NC1(C)CC1 AK-51148 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,1,0,1|1,1,0]=4 98 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,0,0,1,0,1|2,0,0]=4 99 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,1,0,1|1,1,0]=4 100 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,1,0,1|1,1,0]=4 101 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,1,0,1|1,1,0]=4 102 B7R1.16 O[C@@]1(C)C[C@@H](N)C1 AK188530 [0,0,0,1,0,1|1,1,0]=4 103 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,1,1]=4 104 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,1,0,0|1,1,0]=4 105 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,1,0,0|1,1,0]=4 106 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,1,0,0|1,1,0]=4 107 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,1,0,0|1,1,0]=4 108 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,1,0,0|1,1,0]=4 111 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,1,0,0|1,1,0]=4 112 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,1,0,1,0,0|0,2,0]=4 113 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,1,0,1,0,0|0,2,0]=4 114 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,1,0,0|1,1,0]=4 115 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,1,0,0|1,1,0]=4 116 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,1,0,1,0,0|1,1,0]=4