0 B5R0.3 BrCC(=C)CBr AK101659 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C(C(CN)O)N AK-49066 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C(C(CO)=C)O AK-73078 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 C=C[C@H](N)CO AK-78923 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 CC(CCl)CBr AK112650 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CCC(CN)=O AK-38468 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CCC(CO)=O AK149491 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.3 CCC(N)CO AK-57405 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 CC[C@@H](O)CO AK110229 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.3 CC[C@H](N)CO AK-86460 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.3 CC[C@H](O)CO AK110230 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 CNC(=O)CCl AK-82796 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 C[C@@H](OC)CN AK153940 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 NCC(OC)=O AK-43994 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 NNC(=O)CO AK-89508 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 NOC(C=C)C AK550274 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 O=C(CO)CO AK-46682 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 O=C(OC)CO AK-98661 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 O=C[C@H](O)CO AK122382 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 OC(CCl)CN AK123258 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 OC[C@@H](O)CN AK-35849 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 OC[C@H](O)CN AK-36032 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 O[C@H](CCl)CN AK123304 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CCB(O)O AK-25979 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 C[C@H](N)C#C AK167739 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 N=C(N)CO AK-40243 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 C#CCCN AK-81795 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 N#CCNC AK-46627 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.2 NOCCN AK-72573 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 C#C\C(C)=C/CO AK116959 [0,1,0,0,0,0|0,0,3]=4 54 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.1 OCC(O)CNC AK-68394 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 CC(C#N)C(O)=O AK544214 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 CC(C)C(N)CO AK-62680 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,1,0,0,0,0|0,0,1]=2 72 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.3 COC(C)C(O)=O AK-49797 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 O=C(O)C(C)CBr AK116257 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.3 O=C(O)C(N)CN AK-44800 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.8 C#CC(N)(C)CC AK-78920 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.8 CC(NC)(C)CO AK-82110 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.8 CCC(C)(N)C#N AK119556 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.8 COC(C)(C)CN AK-50222 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.8 N#CC(C)(C)CO AK109218 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.8 OCC(C)(C)CO AK109182 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.8 OCC(F)(F)CN AK175624 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.9 COC(OC)C=O AK-65152 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.9 OCC(CO)CO AK-81647 [0,1,0,0,0,0|1,0,0]=2 107 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|1,0,0]=2 109 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|1,0,0]=2 111 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|1,0,0]=2 121 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|1,0,1]=3 128 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|1,1,1]=4 129 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 OC1CNCC1 AK134933 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,1,0,0|1,0,0]=2 137 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.6 CNC1CCC1 AK157567 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.6 CNC1CNC1 AK158168 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.6 COC1CNC1 AK-30498 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.6 N#CC1CNC1 AK-49711 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.6 N1CC(C1)CO AK-38948 [0,0,0,1,0,0|1,0,0]=2 143 B6R1.6 NCC1CCC1 AK-40089 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.6 NCC1CNC1 AK-39033 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.6 NNC1CCC1 AK-51694 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.6 O1CC(C1)CN AK-41045 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.6 OCC1CCO1 AK-64713 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.6 OCC1COC1 AK-43870 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.7 NC1(CC1)C#N AK-24893 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.7 NCC1(C)CC1 AK159118 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.7 OC1(CN)CC1 AK-77569 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.7 OCC1(N)CC1 AK-32789 [0,0,0,1,0,0|1,0,0]=2 154 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 155 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,0]=3 160 B3R0.2 CB(O)O AK-47269 [2,0,0,0,0,0|2,0,0]=4 161 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.1 CCCB(O)O AK-47948 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.1 CN(CCBr)C AK-35597 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.1 C[C@@H](N)CC#N AK203337 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.1 C[C@@H](N)CCC AK608015 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,0,0]=2 172 B5R0.1 C[C@H](N)CC#N AK173140 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.1 C[C@H](N)CCC AK171191 [1,1,0,0,0,0|1,0,0]=3 174 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 NOCC(C)=C AK550273 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.1 NOCC(C)C AK-83418 [1,1,0,0,0,0|0,0,0]=2 178 B5R0.1 O=CCN(C)C AK136086 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.1 O=CCN(C)C AK172998 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 O=P(CCN)O AK477259 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.4 CC(C)(C)CN AK-64580 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.4 CC(C)(C)ON AK110566 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 CC(C)(N)C#N AK-76956 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.4 CC(O)(C)CN AK-37803 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.4 CC(O)(C)CO AK112021 [1,1,0,0,0,0|0,0,0]=2 186 B5R0.4 NCC(F)(F)C AK-35117 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.4 NNC(C)(C)C AK113700 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.4 ONC(C)(C)C AK-47440 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.4 ONC(C)(C)C AK118975 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 CC(B(O)O)C AK-46096 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|0,0,2]=4 192 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.2 BrCCCC#N AK110352 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.2 C(CCN)CN AK-46742 [1,1,0,0,0,0|1,0,0]=3 199 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.2 CNOCCN AK155896 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.2 ClCCCCBr AK105174 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.2 ICCCCCl AK116716 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.2 ICCCCI AK112667 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.2 N#CCCNC AK116969 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.2 N#CCCOC AK-46138 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.2 NCCCCBr AK-51681 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.2 NOCCCC AK-85835 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.2 OCCCCN AK-58038 [1,1,0,0,0,0|0,0,0]=2 209 B5R0.2 OCCCNC AK112615 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|1,0,1]=4 218 B7R0.3 CCCCC(O)CO AK161793 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.5 COCC(N)C(O)=O AK-87739 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.5 NC(CCO)C(O)=O AK-41514 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [0,2,0,0,0,0|1,0,1]=4 226 B7R0.5 O=C(O)C(N)CCN AK-44002 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.7 C(OC)C(O)COC AK-46679 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.7 CCOC(=O)CCO AK-41251 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.7 NC(COC)COC AK-79017 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.7 O=C(COC)COC AK116819 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.10 CCC(N)C(OC)=O AK115477 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,2,0,0,0,0|0,0,0]=2 246 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.10 O=C(OC)C(Br)CO AK142725 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.10 O=C(OC)C(N)CO AK-44174 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [0,2,0,0,0,0|0,0,1]=3 251 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [0,2,0,0,0,0|0,0,1]=3 253 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.12 CCN(CC)CCO AK109514 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.12 CCN(CCS)CC AK308969 [0,2,0,0,0,0|1,1,0]=4 258 B7R0.13 BrC[C@](C(=O)O)(C)O AK-34422 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.13 CC(C)(CF)C(O)=O AK-77531 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.13 CCC(C)(C)C(O)=O AK-54450 [0,2,0,0,0,0|0,0,1]=3 261 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [0,2,0,0,0,0|0,0,1]=3 262 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [0,2,0,0,0,0|0,0,1]=3 263 B7R0.13 N[C@](CO)(C)C(O)=O AK-33622 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.13 O=C(O)C(C)(C)CO AK113909 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.14 CC(CO)C(F)(F)F AK-65349 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.14 CC[C@@H](N)C(F)(F)F AK193124 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.14 N[C@@H](C(C)(C)C)CO AK-41272 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.14 N[C@H](C(C)(C)C)CO AK-45084 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.14 OCC(N)C(F)(F)F AK187824 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.15 CC(C)C(CC)CO AK-40568 [0,2,0,0,0,0|0,0,0]=2 271 B7R0.15 CC(N(CC)CC)=O AK105973 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.15 CCC(CC)C([O-])=O AK161891 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,2,0,0,0,0|0,0,1]=3 274 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.18 CC(OC)(OC)CN AK545033 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.18 CCC(CC)(Br)CC AK402193 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.18 COP(=O)(CO)OC AK105037 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.18 C[N+](CC)(CC)CC AK202354 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.18 NC(CO)(CO)CO AK-41164 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.18 NC(CO)(CO)CO AK-48850 [0,2,0,0,0,0|1,0,0]=3 290 B5R1.2 FC1CNC1 AK-35869 [1,0,0,1,0,0|2,0,0]=4 291 B5R1.2 IC1COC1 AK115961 [1,0,0,1,0,0|1,0,0]=3 292 B5R1.2 NC1CNC1 AK-32674 [1,0,0,1,0,0|2,0,0]=4 293 B5R1.2 NC1COC1 AK-49035 [1,0,0,1,0,0|1,0,0]=3 294 B5R1.2 NC1COC1 AK122281 [1,0,0,1,0,0|1,0,0]=3 295 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|1,0,1]=4 296 B5R1.2 OC1CNC1 AK-25536 [1,0,0,1,0,0|1,0,0]=3 297 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|1,0,0]=3 299 B5R1.3 NNC1CC1 AK-77851 [1,0,0,1,0,0|2,0,0]=4 300 B5R1.4 N[C@H]1[C@H](F)C1 AK184204 [1,0,0,1,0,0|2,0,0]=4 301 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [1,0,0,1,0,0|2,0,0]=4 302 B5R1.5 NC1(C)CC1 AK-51148 [1,0,0,1,0,0|1,0,0]=3 303 B5R1.1 S1CNCC1 AK340267 [1,0,0,1,0,0|1,1,0]=4 304 B7R1.1 BrCC1CCCC1 AK-88361 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,1,0,0|0,0,0]=2 306 B7R1.1 BrCC1OCCO1 AK110803 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 C(C1CCCC1)O AK-46653 [0,1,0,1,0,0|0,0,0]=2 308 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,1,0,0|0,0,0]=2 310 B7R1.1 COC1CNCC1 AK-33180 [0,1,0,1,0,0|1,0,0]=3 311 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.1 N#CC1CCNC1 AK-85980 [0,1,0,1,0,0|1,0,1]=4 314 B7R1.1 N#C[C@@H]1CNCC1 AK171889 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.1 NCC1CCCC1 AK-27938 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,1,0,0|0,0,0]=2 317 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,1,0,0|0,0,0]=2 318 B7R1.1 NCC1NCCC1 AK-26146 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,1,0,1,0,0|1,0,0]=3 321 B7R1.1 NNC1CCCC1 AK-44319 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.1 OCC1CC=CC1 AK-48070 [0,1,0,1,0,0|0,0,1]=3 323 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,1,0,0|0,0,0]=2 324 B7R1.1 OCC1CNCC1 AK-26048 [0,1,0,1,0,0|0,0,0]=2 325 B7R1.1 OCC1CNCC1 AK-38963 [0,1,0,1,0,0|0,0,0]=2 326 B7R1.1 OCC1CNCC1 AK105115 [0,1,0,1,0,0|0,0,0]=2 327 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,1,0,0|0,0,0]=2 328 B7R1.1 OCC1OCCC1 AK106959 [0,1,0,1,0,0|0,0,0]=2 329 B7R1.1 OCC1OCCO1 AK159792 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.1 OCC1OCOC1 AK112875 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,1,0,1,0,0|0,0,0]=2 332 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,1,0,0|0,0,0]=2 333 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,1,0,1,0,0|0,0,0]=2 334 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,1,0,1,0,0|0,0,0]=2 335 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,1,0,0|0,0,0]=2 336 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,1,0,0|0,0,0]=2 337 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,1,0,1,0,0|1,0,0]=3 339 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,1,0,1,0,0|1,0,0]=3 340 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|0,0,2]=4 346 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.2 OC1CC(N)CC1 AK-64395 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.2 OC1CN(C)CC1 AK-29830 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.3 BrC1CCCCC1 AK-77686 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.3 BrC1CCNCC1 AK-47522 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.3 BrC1CCOCC1 AK-29943 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.3 C1C(CCOC1)N AK-25779 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.3 C1CC(CCO1)O AK-25581 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.3 CC1CNCCO1 AK100672 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.3 CC1NCCOC1 AK-35119 [0,1,0,1,0,0|0,0,0]=2 360 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,1,0,1,0,0|0,0,0]=2 363 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,1,0,1,0,0|0,0,0]=2 364 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,1,0,1,0,0|0,0,0]=2 368 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,1,0,1,0,0|0,0,0]=2 369 B7R1.3 ClC1CCNCC1 AK-26089 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.3 IC1CCOCC1 AK-29944 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.3 NC1CCSCC1 AK-77885 [0,1,0,1,0,0|1,1,0]=4 373 B7R1.3 NC1CNCCC1 AK-33202 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.3 O1CCCC(C1)O AK-32117 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.3 O=C1CCCOC1 AK-32516 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.3 O=C1CCOCC1 AK-25731 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.3 O=C1COCCN1 AK-37649 [0,1,0,1,0,0|1,0,1]=4 384 B7R1.3 O=C1OCCOC1 AK117129 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.3 OC1CCNCC1 AK-46522 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.3 OC1CCNCC1 AK-80456 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.3 OC1COCOC1 AK-85976 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|1,0,1]=4 394 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.6 CCOC1CNC1 AK-71516 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.6 CCOC1CNC1 AK-92383 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.6 COCC1CNC1 AK-40838 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.6 OCCN1CCC1 AK116274 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.10 N[C@H]1C[C@H](OC)C1 AK171868 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.25 C(C1(COC1)C)O AK-27014 [0,1,0,1,0,0|0,0,0]=2 418 B7R1.25 CC1(CBr)COC1 AK-77190 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.25 NCC1(C)COC1 AK-46160 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.25 O=CC1(C)COC1 AK-64338 [0,1,0,1,0,0|0,0,2]=4 421 B7R1.25 OCC1(N)COC1 AK140937 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,1,0,1,0,0|0,0,0]=2 427 B7R1.18 CN(C)C1CNC1 AK-85769 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.18 O=C(C1CCC1)N AK117552 [0,1,0,1,0,0|0,0,2]=4 430 B7R1.18 O=C(C1CNC1)O AK-21934 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.18 OB(C1CCC1)O AK-84302 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.19 O=C(C1(C)CC1)N AK-86702 [0,1,0,1,0,0|0,0,2]=4 435 B7R1.19 O=C(C1(CC1)N)O AK-26748 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.19 OC(=O)C1(Br)CC1 AK-81458 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.14 CC1(C)NCCC1 AK-76555 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.14 FC1(F)CNCC1 AK-29913 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.29 BrCC1(CBr)CC1 AK-49659 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.29 N#CC1(CN)CC1 AK188012 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.29 N#CC1(CO)CC1 AK116079 [0,1,0,1,0,0|0,0,1]=3 444 B7R1.29 OCC1(CO)CC1 AK-35012 [0,1,0,1,0,0|0,0,0]=2 445 B7R2.11 N12CN(CC1)C2 AK150789 [0,0,0,2,0,0|2,0,0]=4 446 B7R2.13 C12CNCC1C2 AK-38211 [0,0,0,2,0,0|1,0,0]=3 447 B7R2.13 C12COCC1O2 AK-68770 [0,0,0,2,0,0|1,0,0]=3