0 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.35 O=C(OCC)C([CH-]C#N)=O AK145423 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.35 O=C(OCC)C([CH-]C#N)=O AK151966 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.1 CCOC(=O)CCCI AK102411 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.1 CCOC(=O)CCCN AK-47111 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 O=C(OCC)C(NN)=O AK-65253 [1,0,0,0,0,0|3,0,0]=4 13 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,1,0,0,0,0|1,0,0]=2 14 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.32 CC(CC(C(OCC)=O)=O)=O AK-49984 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.2 O=C1N(CC)CCNC1=O AK114555 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.401 O=C(C1(C)CCC1)OCC AK554630 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.401 O=C(C1(N)CCC1)OCC AK144798 [0,0,0,1,0,0|2,0,1]=4 24 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,0,0,0,0,1|2,0,0]=3 25 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,0,0,0,0,1|3,0,0]=4 26 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.7 O=C(COC)COC AK116819 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.5 CCOC(=O)C(N)=O AK-45440 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.5 NCCCCC(=O)OCC AK-41723 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [1,1,0,0,0,0|1,0,0]=3 40 B11R0.177 CCOC(=O)C(=C)C(=O)OCC AK-64678 [0,1,0,0,0,1|2,0,0]=4 41 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,1,0,0,0,1|2,0,0]=4 42 B11R0.177 O=C(OCC)C(N)C(OCC)=O AK-45984 [0,1,0,0,0,1|2,0,0]=4 43 B11R0.43 CCOC(=O)C(=O)CC(=O)CC AK-51317 [0,2,0,0,0,0|1,0,0]=3 44 B11R0.155 O=C(OCC)C(\C=C\OCC)=O AK127916 [0,2,0,0,0,0|1,0,1]=4 45 B9R1.48 O=C1NCCCC(N)C1 AK132100 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.49 O=C1NCC(N)CCC1 AK129608 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|0,0,1]=3 48 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [0,0,0,1,0,1|1,0,0]=3 52 B11R1.199 CCOC(=O)C1COCC1=O AK-82248 [0,0,0,1,0,1|2,0,0]=4 53 B11R1.199 O=C(C1C(OCC1)=O)OCC AK-72736 [0,0,0,1,0,1|2,0,0]=4 54 B11R1.199 O=C(C1CNCC1=O)OCC AK100873 [0,0,0,1,0,1|2,0,0]=4 55 B11R1.334 C(C(C1CC1)=O)C(OCC)=O AK-28517 [0,0,0,1,0,1|1,0,0]=3 56 B11R0.62 O=C(OCC)C#CC(OCC)=O AK120940 [0,0,0,0,0,2|2,0,0]=4 57 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [0,0,0,0,0,2|2,0,0]=4