0 B7R0.18 CCC(CC)(Br)CC AK402193 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.18 NC(CO)(CO)CO AK-41164 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.18 NC(CO)(CO)CO AK-48850 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.8 C#CC(N)(C)CC AK-78920 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.8 CC(NC)(C)CO AK-82110 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.8 CCC(C)(N)C#N AK119556 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.8 N#CC(C)(C)CO AK109218 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.8 OCC(C)(C)CO AK109182 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.8 OCC(F)(F)CN AK175624 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.9 OCC(CO)CO AK-81647 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.10 C(C(CBr)(CBr)CBr)O AK-27024 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.10 OCC(CCl)(CCl)CCl AK170376 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.36 CCC(CC)(N)C(O)=O AK-90432 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.36 O=C(O)C(C)(CO)CO AK114663 [0,1,0,0,0,0|1,0,1]=3 14 B8R1.60 BrCC1(CBr)COC1 AK116849 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.60 ClCC1(CCl)COC1 AK-88514 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.60 OCC1(CC)COC1 AK109093 [0,0,0,1,0,0|2,0,0]=3 17 B5R0.3 C(C(CN)O)N AK-49066 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.3 C(C(CO)=C)O AK-73078 [2,0,0,0,0,0|0,0,2]=4 19 B5R0.3 C=C[C@H](N)CO AK-78923 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.3 CC(CCl)CBr AK112650 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.3 CCC(N)CO AK-57405 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.3 CC[C@@H](O)CO AK110229 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.3 CC[C@H](N)CO AK-86460 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.3 CC[C@H](O)CO AK110230 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.3 O=C(CO)CO AK-46682 [2,0,0,0,0,0|0,0,2]=4 26 B5R0.3 O=C[C@H](O)CO AK122382 [2,0,0,0,0,0|0,0,2]=4 27 B5R0.3 OC(CCl)CN AK123258 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.3 OC[C@@H](O)CN AK-35849 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 OC[C@H](O)CN AK-36032 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.3 O[C@H](CCl)CN AK123304 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.4 CC(C)(C)CN AK-64580 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.4 CC(C)(N)C#N AK-76956 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.4 CC(O)(C)CN AK-37803 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.4 CC(O)(C)CO AK112021 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.4 ONC(C)(C)C AK-47440 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.4 ONC(C)(C)C AK118975 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.13 N[C@](CO)(C)C(O)=O AK-33622 [1,1,0,0,0,0|0,0,1]=3 40 B7R0.13 O=C(O)C(C)(C)CO AK113909 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.15 CC(C)C(CC)CO AK-40568 [1,1,0,0,0,0|2,0,0]=4 42 B7R1.25 C(C1(COC1)C)O AK-27014 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.25 CC1(CBr)COC1 AK-77190 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.25 NCC1(C)COC1 AK-46160 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.25 OCC1(N)COC1 AK140937 [1,0,0,1,0,0|0,0,0]=2 46 B7R1.29 OCC1(CO)CC1 AK-35012 [1,0,0,1,0,0|1,0,0]=3 47 B7R1.1 BrCC1CCOC1 AK-51697 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.1 NCC1CCOC1 AK-33831 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.1 NCC1COCC1 AK-50648 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 OCC1CC=CC1 AK-48070 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.1 OCC1OCOC1 AK112875 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.118 OCC1(N)CCOCC1 AK-40529 [0,1,0,1,0,0|1,0,0]=3