0 B5R1.3 CNC1CC1 AK-50625 [0,1,0,0,0,0|1,0,0]=2 1 B5R1.3 NNC1CC1 AK-77851 [0,1,0,0,0,0|2,0,0]=3 2 B5R1.4 N[C@H]1[C@H](F)C1 AK184204 [0,1,0,0,0,0|2,0,0]=3 3 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [0,1,0,0,0,0|2,0,0]=3 4 B5R1.5 NC1(C)CC1 AK-51148 [0,1,0,0,0,0|1,0,0]=2 5 B3R0.1 C(N)CBr AK-41589 [0,0,1,0,0,0|2,0,0]=3 6 B3R0.1 CCNC AK325076 [0,0,1,0,0,0|1,0,0]=2 7 B3R0.1 CONC AK-41541 [0,0,1,0,0,0|1,0,0]=2 8 B3R0.1 FCCN AK-45730 [0,0,1,0,0,0|2,0,0]=3 9 B3R0.1 NOCC AK-45000 [0,0,1,0,0,0|1,0,0]=2 10 B3R0.1 ONCC AK162979 [0,0,1,0,0,0|1,0,0]=2 11 B3R0.2 CB(O)O AK-47269 [0,0,1,0,0,0|2,0,0]=3 12 B3R0.2 CC(N)=O AK-97258 [0,0,1,0,0,0|1,0,2]=4 13 B3R0.2 CC(O)=O AK-76644 [0,0,1,0,0,0|1,0,1]=3 14 B3R0.2 CC(O)=O AK111414 [0,0,1,0,0,0|1,0,1]=3 15 B3R0.2 CC([O-])=O AK-98692 [0,0,1,0,0,0|1,0,2]=4 16 B5R1.2 FC1CNC1 AK-35869 [0,0,0,0,0,1|2,0,0]=3 17 B5R1.2 IC1COC1 AK115961 [0,0,0,0,0,1|1,0,0]=2 18 B5R1.2 NC1CNC1 AK-32674 [0,0,0,0,0,1|2,0,0]=3 19 B5R1.2 NC1COC1 AK-49035 [0,0,0,0,0,1|1,0,0]=2 20 B5R1.2 NC1COC1 AK122281 [0,0,0,0,0,1|1,0,0]=2 21 B5R1.2 O1CC(C1)=O AK-32211 [0,0,0,0,0,1|1,0,1]=3 22 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,0,0,1|2,0,1]=4 23 B5R1.2 O=C1CSC1 AK-41121 [0,0,0,0,0,1|1,1,1]=4 24 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,0,0,1|2,0,1]=4 25 B5R1.2 OC1CNC1 AK-25536 [0,0,0,0,0,1|2,0,0]=3 26 B5R1.2 OC1COC1 AK-32210 [0,0,0,0,0,1|1,0,0]=2 27 B2R0.1 CC#N AK-41420 [1,0,1,0,0,0|1,0,1]=4 28 B2R0.1 NNC AK163949 [1,0,1,0,0,0|2,0,0]=4 29 B2R0.1 ONC AK-90069 [1,0,1,0,0,0|1,0,0]=3 30 B4R0.1 C(N)C(=O)C AK-42698 [0,1,1,0,0,0|1,0,1]=4 31 B4R0.1 CC(C)ON AK-81639 [0,1,1,0,0,0|1,0,0]=3 32 B4R0.1 CC(NN)C AK-46728 [0,1,1,0,0,0|2,0,0]=4 33 B4R0.1 CCB(O)O AK-25979 [0,1,1,0,0,0|1,0,0]=3 34 B4R0.1 CCC(N)=N AK-48186 [0,1,1,0,0,0|1,0,1]=4 35 B4R0.1 C[C@@H](N)CO AK-46726 [0,1,1,0,0,0|0,0,0]=2 36 B4R0.1 C[C@@H](O)CCl AK-73033 [0,1,1,0,0,0|1,0,0]=3 37 B4R0.1 C[C@@H](O)CN AK-76466 [0,1,1,0,0,0|1,0,0]=3 38 B4R0.1 C[C@@H](O)CO AK158454 [0,1,1,0,0,0|0,0,0]=2 39 B4R0.1 C[C@H](N)C#C AK167739 [0,1,1,0,0,0|1,0,1]=4 40 B4R0.1 C[C@H](N)CN AK-51561 [0,1,1,0,0,0|1,0,0]=3 41 B4R0.1 C[C@H](O)CN AK-72977 [0,1,1,0,0,0|1,0,0]=3 42 B4R0.1 C[C@H](O)CO AK111153 [0,1,1,0,0,0|0,0,0]=2 43 B4R0.1 C\C(N)=N\O AK-91616 [0,1,1,0,0,0|1,0,1]=4 44 B4R0.1 N=C(N)CO AK-40243 [0,1,1,0,0,0|1,0,1]=4 45 B4R0.1 N=C(N)OC AK-48234 [0,1,1,0,0,0|1,0,1]=4 46 B4R0.1 NC(C)CO AK-46466 [0,1,1,0,0,0|0,0,0]=2 47 B4R0.1 NC(OC)=N AK116935 [0,1,1,0,0,0|1,0,1]=4 48 B4R0.1 O=C(O)CN AK-77854 [0,1,1,0,0,0|1,0,1]=4 49 B4R0.1 ONC(C)C AK117015 [0,1,1,0,0,0|1,0,0]=3 50 B4R0.2 BrCCNC AK153488 [0,1,1,0,0,0|1,0,0]=3 51 B4R0.2 C#CCCN AK-81795 [0,1,1,0,0,0|1,0,1]=4 52 B4R0.2 C(Br)CCN AK-73071 [0,1,1,0,0,0|1,0,0]=3 53 B4R0.2 C=CCCN AK165308 [0,1,1,0,0,0|1,0,1]=4 54 B4R0.2 ClCCNC AK123132 [0,1,1,0,0,0|1,0,0]=3 55 B4R0.2 ICCCI AK126057 [0,1,1,0,0,0|1,0,0]=3 56 B4R0.2 N#CCNC AK-46627 [0,1,1,0,0,0|1,0,1]=4 57 B4R0.2 NCCCCl AK164441 [0,1,1,0,0,0|1,0,0]=3 58 B4R0.2 NNCCC AK-76893 [0,1,1,0,0,0|1,0,0]=3 59 B4R0.2 NNCCO AK-41264 [0,1,1,0,0,0|1,0,0]=3 60 B4R0.2 NOCC=C AK208821 [0,1,1,0,0,0|0,0,2]=4 61 B4R0.2 NOCCN AK-72573 [0,1,1,0,0,0|1,0,0]=3 62 B4R0.2 OCCCBr AK-77055 [0,1,1,0,0,0|0,0,0]=2 63 B4R0.3 C[N+](C)(C)C AK117183 [0,1,1,0,0,0|2,0,0]=4 64 B4R0.3 C[N+](C)(C)C AK173315 [0,1,1,0,0,0|2,0,0]=4 65 B4R0.3 O=[S+](C)(C)C AK128826 [0,1,1,0,0,0|1,0,1]=4 66 B4R0.3 O=[S+](C)(C)C AK163211 [0,1,1,0,0,0|1,0,1]=4 67 B6R1.5 NC1CC(=O)C1 AK-41683 [0,1,0,0,0,1|2,0,0]=4 68 B6R1.5 NC1CC(C)C1 AK131965 [0,1,0,0,0,1|1,0,0]=3 69 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,1,0,0,0,1|2,0,0]=4 70 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,1,0,0,0,1|2,0,0]=4 71 B6R1.6 CNC1CCC1 AK157567 [0,1,0,0,0,1|1,0,0]=3 72 B6R1.6 CNC1CNC1 AK158168 [0,1,0,0,0,1|1,0,0]=3 73 B6R1.6 COC1CNC1 AK-30498 [0,1,0,0,0,1|1,0,0]=3 74 B6R1.6 N#CC1CNC1 AK-49711 [0,1,0,0,0,1|1,0,1]=4 75 B6R1.6 N1CC(C1)CO AK-38948 [0,1,0,0,0,1|1,0,0]=3 76 B6R1.6 NCC1CCC1 AK-40089 [0,1,0,0,0,1|1,0,0]=3 77 B6R1.6 NCC1CNC1 AK-39033 [0,1,0,0,0,1|1,0,0]=3 78 B6R1.6 NNC1CCC1 AK-51694 [0,1,0,0,0,1|2,0,0]=4 79 B6R1.6 O1CC(C1)CN AK-41045 [0,1,0,0,0,1|0,0,0]=2 80 B6R1.6 OCC1CCO1 AK-64713 [0,1,0,0,0,1|0,0,0]=2 81 B6R1.6 OCC1COC1 AK-43870 [0,1,0,0,0,1|0,0,0]=2 82 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,1,0,0,0,1|1,0,0]=3 83 B6R1.10 CC1(C)CNC1 AK139188 [0,1,0,0,0,1|1,0,0]=3 84 B6R1.10 FC1(CNC1)F AK-39786 [0,1,0,0,0,1|2,0,0]=4 85 B6R1.10 NC1(C)CCC1 AK117597 [0,1,0,0,0,1|1,0,0]=3 86 B6R1.10 NC1(C)COC1 AK-57022 [0,1,0,0,0,1|0,0,0]=2 87 B6R1.10 OC1(C)CNC1 AK142848 [0,1,0,0,0,1|1,0,0]=3 88 B6R1.10 OC1(C)COC1 AK112914 [0,1,0,0,0,1|0,0,0]=2 89 B6R1.3 NCCC1CC1 AK-88169 [0,2,0,0,0,0|1,0,0]=3 90 B6R1.3 NOCC1CC1 AK110167 [0,2,0,0,0,0|1,0,0]=3 91 B6R1.3 OCCN1CC1 AK-85970 [0,2,0,0,0,0|2,0,0]=4 92 B6R1.7 NC1(CC1)C#N AK-24893 [0,2,0,0,0,0|1,0,1]=4 93 B6R1.7 NCC1(C)CC1 AK159118 [0,2,0,0,0,0|1,0,0]=3 94 B6R1.7 OC1(CN)CC1 AK-77569 [0,2,0,0,0,0|1,0,0]=3 95 B6R1.7 OCC1(N)CC1 AK-32789 [0,2,0,0,0,0|1,0,0]=3 96 B6R1.11 CC(N)C1CC1 AK-59911 [0,2,0,0,0,0|1,0,0]=3 97 B6R1.11 C[C@H](N)C1CC1 AK166914 [0,2,0,0,0,0|1,0,0]=3 98 B6R1.11 N=C(C1CC1)N AK-61863 [0,2,0,0,0,0|1,0,1]=4 99 B6R1.11 OB(C1CC1)O AK-25947 [0,2,0,0,0,0|2,0,0]=4 100 B4R1.1 N1CCC1 AK-23880 [0,0,1,1,0,0|1,0,0]=3 101 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,0,0,2|1,0,0]=3 102 B6R1.2 CC1=NN=CO1 AK-50870 [0,0,0,0,0,2|0,0,2]=4 103 B6R1.2 CC1=NON=C1 AK-49621 [0,0,0,0,0,2|0,0,2]=4 104 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,0,0,2|1,0,0]=3 105 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,0,0,2|1,0,0]=3 106 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,0,0,2|1,0,0]=3 107 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,0,0,2|2,0,0]=4 108 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,0,0,2|2,0,0]=4 109 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,0,0,2|2,0,0]=4 110 B6R1.2 IC1COCC1 AK162325 [0,0,0,0,0,2|1,0,0]=3 111 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,0,0,2|1,0,0]=3 112 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,0,0,2|2,0,0]=4 113 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,0,0,2|1,0,0]=3 114 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,0,0,2|2,0,0]=4 115 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,0,0,2|2,0,0]=4 116 B6R1.2 NC1COCC1 AK-25569 [0,0,0,0,0,2|1,0,0]=3 117 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,0,0,2|2,0,0]=4 118 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,0,0,2|1,0,0]=3 119 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,0,0,2|2,0,0]=4 120 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,0,0,2|2,0,0]=4 121 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,0,0,2|1,0,0]=3 122 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,0,0,2|1,0,1]=4 123 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,0,0,2|1,0,1]=4 124 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,0,0,2|1,0,1]=4 125 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,0,0,2|1,0,1]=4 126 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,0,0,2|1,0,1]=4 127 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,0,0,2|2,0,0]=4 128 B6R1.2 OC1CNCC1 AK134933 [0,0,0,0,0,2|2,0,0]=4 129 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,0,0,2|2,0,0]=4 130 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,0,0,2|1,0,0]=3 131 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,0,0,2|2,0,0]=4 132 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,0,0,2|2,0,0]=4 133 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,0,0,2|1,0,0]=3 134 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,0,0,2|2,0,0]=4