0 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,0,0,0,0,0|3,0,1]=4 1 B8R0.16 CCN(CC)CC(=O)O 5131AD [0,0,0,0,0,0|4,0,0]=4 2 B8R0.16 CCN(CC)CC(=O)[O-] 8434AL [0,0,0,0,0,0|4,0,0]=4 3 B8R0.16 COC(CC(C)O)OC 6025AJ [0,0,0,0,0,0|0,0,2]=2 4 B7R0.2 C=C(C)CC(C)CC 5312AL [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 C=CC(C)CC(=O)O 9796AA [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 C=CC(C)OC(C)=O 6010AL [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [1,0,0,0,0,0|1,0,2]=4 8 B7R0.2 CCC(C)CC(C)C 5322AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.2 CCC(N)CC(=O)O 2363AL [1,0,0,0,0,0|3,0,0]=4 10 B7R0.2 CCN(C)CC(C)=O 9608AC [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [1,0,0,0,0,0|3,0,0]=4 13 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [1,0,0,0,0,0|1,0,2]=4 14 B7R0.2 COC(C)CC(=O)O 0132AA [1,0,0,0,0,0|1,0,0]=2 15 B7R0.12 COC(CC#N)OC 8500AB [1,0,0,0,0,0|1,0,1]=3 16 B7R0.12 COC(CCCl)OC 6016AL [1,0,0,0,0,0|1,0,1]=3 17 B9R0.41 CCC(CC)C(N)C(=O)O 4313AD [0,1,0,0,0,0|3,0,0]=4 18 B9R1.13 CC(=O)CC1C=CCC1 7924AF [0,0,0,1,0,0|2,0,1]=4 19 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,0,0,1,0,0|3,0,0]=4 20 B7R0.15 CCC(OC)C(=O)O 8292AB [0,0,0,0,1,0|2,0,0]=3 21 B7R0.15 COC(OC)C(C)O 0165AQ [0,0,0,0,1,0|0,0,2]=3 22 B6R0.1 CCCC(C)CC 7810AF [2,0,0,0,0,0|1,0,1]=4 23 B6R0.1 CCCC(O)CC 7557AF [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 CNCC(C)OC 1691AF [2,0,0,0,0,0|1,0,0]=3 25 B6R0.2 CC(C)CC(C)Br 3157AB [2,0,0,0,0,0|1,0,1]=4 26 B6R0.2 CC(C)CC(C)C 7809AF [2,0,0,0,0,0|1,0,1]=4 27 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [2,0,0,0,0,0|2,0,0]=4 28 B6R0.2 CN(C)CC(=O)[O-] 9593AA [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 C[C@H](Br)CC(=O)O V0016 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CC(=O)CCCBr W5938 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 CSCCC(=O)Cl 6126AL [2,0,0,0,0,0|1,1,0]=4 34 B6R0.9 CCC(CC)NC 7289AJ [2,0,0,0,0,0|2,0,0]=4 35 B6R0.9 CCC(CN)OC 8133AC [2,0,0,0,0,0|2,0,0]=4 36 B6R0.9 CCC(CN)OC X2088 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.9 CCC(CO)OC 5682AL [2,0,0,0,0,0|1,0,1]=4 38 B6R0.9 CCC(OC)OC 8873AL [2,0,0,0,0,0|0,0,0]=2 39 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [1,1,0,0,0,0|0,0,2]=4 41 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,1,0,0,0,0|2,0,0]=4 42 B8R0.19 CCC(C)NC(=O)CN 1865AD [1,1,0,0,0,0|2,0,0]=4 43 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,1,0,0,0,0|2,0,0]=4 44 B8R0.19 COC(=O)\C=C(/C)OC 3885AE [1,1,0,0,0,0|0,0,2]=4 45 B8R0.23 CC(=O)CC(C)C(=O)O 7660AE [1,1,0,0,0,0|2,0,0]=4 46 B8R0.34 COC(C)(C)CC(C)O 7818AF [1,1,0,0,0,0|0,0,2]=4 47 B8R0.34 CSC(C)(C)CC(C)=O U806 [1,1,0,0,0,0|0,1,0]=3 48 B8R0.11 COC(CCCBr)OC U980 [1,1,0,0,0,0|0,0,1]=3 49 B8R0.11 COC(\C=C\C=O)OC 7953AL [1,1,0,0,0,0|0,0,1]=3 50 B8R0.11 CO\C=C\C(OC)OC 4624AH [1,1,0,0,0,0|0,0,1]=3 51 B8R0.20 CCN(C)C(OC)OC 0030AP [1,1,0,0,0,0|1,0,1]=4 52 B8R0.22 COC(CSC)CSC 4527AL [1,1,0,0,0,0|1,1,0]=4 53 B10R0.72 COC(CC(=O)C(C)C)OC 7667AE [0,1,0,0,0,1|1,0,1]=4 54 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,1,0,0|1,0,0]=3 56 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 CN1CCCC(=O)C1 9933AH [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 CN1CCCC(=O)C1 9934AH [1,0,0,1,0,0|2,0,0]=4 59 B8R1.2 CCC1CNCCO1 Z8593 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 COC1CCCCC1 7515AL [1,0,0,1,0,0|1,0,1]=4 61 B8R1.8 CNCC1OCCO1 1363AQ [1,0,0,1,0,0|1,0,0]=3 62 B8R1.8 N#CCC1OCCO1 3973AL [1,0,0,1,0,0|1,0,1]=4 63 B8R1.60 COC1(OC)COC1 3263AF [1,0,0,1,0,0|1,0,0]=3 64 B10R1.66 O=C(O)CCC1CCCO1 5871AC [0,0,0,1,0,1|2,0,0]=4 65 B10R1.66 O=[N+]([O-])CCC1OCCO1 W8647 [0,0,0,1,0,1|2,0,0]=4 66 B10R1.8 COC1CC(=O)CN(C)C1 4199AB [0,1,0,1,0,0|1,0,0]=3 67 B10R1.18 CC(=O)CC1CCCCC1 7815AC [0,1,0,1,0,0|2,0,0]=4 68 B10R1.18 O=C(O)CC1CCCOC1 7652AC [0,1,0,1,0,0|2,0,0]=4 69 B10R1.18 O=C(O)CC1CNCCO1 9486AA [0,1,0,1,0,0|2,0,0]=4 70 B10R1.18 O=C(O)CC1COCCN1 Z5224 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.27 COC(=O)CC1CCCC1 2548AB [0,1,0,1,0,0|2,0,0]=4 72 B10R1.27 COC(=O)C[C@@H]1CCCN1 W6819 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.27 COC(=O)C[C@H]1CCCN1 5980AA [0,1,0,1,0,0|2,0,0]=4 74 B10R1.273 COC(CC1(O)CC1)OC 2840AC [0,1,0,1,0,0|0,0,2]=4 75 B10R1.491 COC1(OC)CC(CI)C1 X8487 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.113 CC(C)C1CCCC(=O)C1 7920AD [0,1,0,1,0,0|2,0,0]=4 77 B6R0.3 CCC(C)C(C)=O U423 [1,0,0,0,1,0|1,0,0]=3 78 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,0,0,0,1,0|2,0,0]=4 79 B6R0.3 CCC(S)C(C)=O 9471AJ [1,0,0,0,1,0|1,1,0]=4 80 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,0,0,0,1,0|2,0,0]=4 81 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,0,0,0,1,0|2,0,0]=4 82 B6R0.3 CN[C@H](C)C(=O)O Z5607 [1,0,0,0,1,0|2,0,0]=4 83 B6R0.3 CSC(C)C(=O)O 6148AE [1,0,0,0,1,0|1,1,0]=4 84 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,0,0,1,0|0,1,0]=3 85 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,0,0,1,0|1,0,1]=4 86 B8R0.9 CCC(C)COC(C)=O 1426AQ [1,0,0,0,0,1|1,0,0]=3