0 B5R0.4 C=C[B-](F)(F)F AK-61560 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.4 CC(C)(C)CN AK-64580 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.4 CC(C)(C)ON AK110566 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.4 CC(C)(N)C#N AK-76956 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.4 CC(O)(C)CN AK-37803 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.4 CC(O)(C)CO AK112021 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.4 NCC(F)(F)C AK-35117 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.4 NNC(C)(C)C AK113700 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.4 ONC(C)(C)C AK-47440 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.4 ONC(C)(C)C AK118975 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 C[C@H](N)C#C AK167739 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.3 C[N+](C)(C)C AK117183 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.3 C[N+](C)(C)C AK173315 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.3 O=[S+](C)(C)C AK128826 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.3 O=[S+](C)(C)C AK163211 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.5 CC(C)(N)CCO AK146046 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.7 CC(C(O)=O)(C)N AK-47379 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.7 CC(C)(C)C(N)=N AK113616 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.7 CC(C)(O)C(N)=O AK-57348 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.7 CC(F)(F)C(O)=O AK109307 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.8 BrCC(Br)(Br)C=O AK111112 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.8 C#CC(N)(C)CC AK-78920 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.8 CC(NC)(C)CO AK-82110 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.8 CCC(C)(N)C#N AK119556 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.8 COC(C)(C)CN AK-50222 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.8 N#CC(C)(C)CO AK109218 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.8 OCC(C)(C)CO AK109182 [0,1,0,0,0,0|1,0,1]=3 47 B6R1.7 NC1(CC1)C#N AK-24893 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.7 NCC1(C)CC1 AK159118 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.7 OC1(CN)CC1 AK-77569 [0,0,0,1,0,0|1,0,1]=3 50 B6R1.7 OCC1(N)CC1 AK-32789 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.10 CC1(C)CNC1 AK139188 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.10 NC1(C)CCC1 AK117597 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.10 NC1(C)COC1 AK-57022 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.10 OC1(C)CNC1 AK142848 [0,0,0,1,0,0|1,0,1]=3 55 B6R1.10 OC1(C)COC1 AK112914 [0,0,0,1,0,0|1,0,1]=3 56 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.2 CB(O)O AK-47269 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.1 NOCC(C)C AK-83418 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.1 O=CCN(C)C AK136086 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.1 O=CCN(C)C AK172998 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.3 C(C(CN)O)N AK-49066 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.3 C=CC(NC)=O AK115593 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.3 C=C[C@H](N)CO AK-78923 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.3 CC(CCl)CBr AK112650 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.3 CC[C@@H](O)CO AK110229 [1,1,0,0,0,0|0,0,2]=4 71 B5R0.3 CC[C@H](O)CO AK110230 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.3 C[C@@H](OC)CN AK153940 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.3 NOC(C=C)C AK550274 [1,1,0,0,0,0|0,0,0]=2 74 B5R0.3 O=C[C@H](O)CO AK122382 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.3 OC(CCl)CN AK123258 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.3 OC[C@@H](O)CN AK-35849 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.3 OC[C@H](O)CN AK-36032 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.3 O[C@H](CCl)CN AK123304 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.5 CC(B(O)O)C AK-46096 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.8 OC\C=C\[Si](C)(C)C AK307454 [0,2,0,0,0,0|1,1,0]=4 91 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.14 CC(C)(O)C(NN)=O AK-98279 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.13 BrC[C@](C(=O)O)(C)O AK-34422 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.13 C#CC(C)(C)C(O)=O AK114304 [0,2,0,0,0,0|0,0,2]=4 98 B7R0.13 CC(C(C)(C)C#N)=O AK-77638 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.13 CC(C)(C=C)C(O)=O AK-80488 [0,2,0,0,0,0|0,0,0]=2 100 B7R0.13 CC(C)(CF)C(O)=O AK-77531 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.13 CCC(C)(C)C(O)=O AK-54450 [0,2,0,0,0,0|0,0,2]=4 102 B7R0.13 NCC(C(=O)N)(C)C AK-34692 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.13 N[C@](CO)(C)C(O)=O AK-33622 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.13 O=C(O)C(C)(C)CO AK113909 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.17 CC(O)(C)C(O)(C)C AK-97263 [0,2,0,0,0,0|0,0,2]=4 108 B7R0.18 CC(OC)(OC)CN AK545033 [0,2,0,0,0,0|1,0,1]=4 109 B5R1.2 OC1CNC1 AK-25536 [1,0,0,1,0,0|1,0,1]=4 110 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|1,0,1]=4 111 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|1,0,1]=4 112 B5R1.3 NNC1CC1 AK-77851 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,1,0,0|0,0,2]=4 114 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,1,0,0|0,0,2]=4 115 B7R1.16 O[C@@]1(C)C[C@@H](N)C1 AK188530 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.19 O=C(C1(C)CC1)N AK-86702 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.19 O=C(C1(CC1)N)O AK-26748 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.19 OC(=O)C1(Br)CC1 AK-81458 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.25 C(C1(COC1)C)O AK-27014 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.25 CC1(CBr)COC1 AK-77190 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.25 NCC1(C)COC1 AK-46160 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.25 O=CC1(C)COC1 AK-64338 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.29 N#CC1(CO)CC1 AK116079 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.29 OCC1(CO)CC1 AK-35012 [0,1,0,1,0,0|1,0,1]=4