0 B7R0.9 CC(Br)CC(F)(F)Br 2773AE [0,0,0,0,0,0|4,0,0]=4 1 B7R0.9 CC(C)=CC(C)(C)C 7955AF [0,0,0,0,0,0|2,0,2]=4 2 B7R0.9 CC(I)CC(F)(F)F 5257AE [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 CC(=O)NC(C)C X8984 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.2 CC(C)CC(C)N X3873 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.2 CC(Cl)CC(=O)O 7238AF [1,0,0,0,0,0|2,0,1]=4 6 B6R0.2 CC(N)CC(=O)O 3162AL [1,0,0,0,0,0|2,0,1]=4 7 B6R0.2 CC(O)CC(C)O 5338AL [1,0,0,0,0,0|0,1,0]=2 8 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [1,0,0,0,0,0|0,1,0]=2 10 B6R0.2 C[C@H](N)CC(=O)O W5861 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [1,0,0,0,0,0|0,1,0]=2 12 B6R0.5 C=CCC(C)(C)O 1796AJ [1,0,0,0,0,0|0,1,2]=4 13 B6R0.5 CC(C)(N)CCO 3154AE [1,0,0,0,0,0|1,0,0]=2 14 B6R0.5 CC(C)(O)CC#N 3965AD [1,0,0,0,0,0|1,1,1]=4 15 B6R0.5 CC(C)(O)CCBr W5746 [1,0,0,0,0,0|1,1,0]=3 16 B6R0.5 CCCC(C)(C)C 5139AL [1,0,0,0,0,0|1,0,0]=2 17 B6R0.5 CCCC(C)(C)O 5708AL [1,0,0,0,0,0|0,1,0]=2 18 B6R0.5 CCC[Si](C)(C)Cl 8662AL [1,0,0,0,0,0|1,1,0]=3 19 B6R0.5 CCOC(C)(C)C 7559AF [1,0,0,0,0,0|2,0,0]=3 20 B6R0.5 CNCC(C)(C)O 1773AJ [1,0,0,0,0,0|1,1,0]=3 21 B6R0.5 COCC(C)(C)O 1642AL [1,0,0,0,0,0|1,1,0]=3 22 B6R0.5 C[N+](C)(C)CCO 7392AL [1,0,0,0,0,0|2,0,0]=3 23 B6R0.5 C\C=N\C(C)(C)C 0877AC [1,0,0,0,0,0|2,0,1]=4 24 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 1248AL [0,1,0,0,0,0|2,0,1]=4 25 B8R0.27 CC(C)(F)C(Br)C(=O)O 4523AE [0,1,0,0,0,0|2,0,1]=4 26 B8R0.33 CC(C)(C)SC(C)(C)C 8005AF [0,1,0,0,0,0|3,0,0]=4 27 B8R0.33 CC(C)(C)[SiH2]C(C)(C)C 7776AL [0,1,0,0,0,0|2,1,0]=4 28 B8R0.33 CC(C)(O)CC(C)(C)O 5314AL [0,1,0,0,0,0|0,1,0]=2 29 B8R0.34 CCC(C)(O)CC(=O)O 6060AL [0,1,0,0,0,0|1,1,1]=4 30 B8R1.21 CC1OC1C(F)(F)F 2769AE [0,0,0,1,0,0|3,0,0]=4 31 B8R1.77 CC1(C)C[C@@H]1C(=O)O Z4170 [0,0,0,1,0,0|2,0,1]=4 32 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,0,0,0,1,0|2,0,1]=4 33 B6R0.7 CC(C)C(C)(C)N 9317AL [0,0,0,0,1,0|2,0,0]=3 34 B6R0.7 CC(N)C(C)(C)C 2177AE [0,0,0,0,1,0|2,0,0]=3 35 B8R0.29 CC(C)(C)OCC(=O)O Z4086 [0,0,0,0,0,1|2,0,1]=4 36 B8R0.29 CC(C)CCC(C)(C)O 7991AF [0,0,0,0,0,1|1,1,0]=3 37 B5R0.1 C#CCC(C)C 8172AJ [2,0,0,0,0,0|0,0,2]=4 38 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|0,0,2]=4 39 B5R0.1 CC(C)CCI X5313 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 CC(C)CNN Z1645 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CC(N)CCO Z2685 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 COC[C@@H](C)N W7467 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C[C@H](N)CCO W7371 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(C)CN 8004AA [2,0,0,0,0,0|2,0,0]=4 46 B5R0.4 CC(C)(C)NO B804 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.4 CC(C)(F)CBr 5101AJ [2,0,0,0,0,0|2,0,0]=4 48 B5R0.4 CC(C)(N)CO 4971AH [2,0,0,0,0,0|1,0,0]=3 49 B5R0.4 CCC(C)(C)Br 5515AL [2,0,0,0,0,0|1,0,0]=3 50 B5R0.4 CCC(C)(C)Cl 5561AL [2,0,0,0,0,0|1,0,0]=3 51 B5R0.4 C[Si](C)(C)CO X6387 [2,0,0,0,0,0|1,1,0]=4 52 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|0,0,2]=4 53 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 CNC(C)CC(C)C 2627AF [1,1,0,0,0,0|1,0,0]=3 55 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|0,0,2]=4 56 B7R0.2 C\C(CC(C)C)=N/O 6599AL [1,1,0,0,0,0|0,0,1]=3 57 B7R0.16 CC(C)C(C)C(=O)O 6994AA [1,1,0,0,0,0|1,0,1]=4 58 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.16 CC(C)[SiH](Cl)C(C)C 8579AJ [1,1,0,0,0,0|1,1,0]=4 61 B7R0.8 CC(C)(C)OCCN 4886AH [1,1,0,0,0,0|2,0,0]=4 62 B7R0.8 CCCCC(C)(C)O 7817AF [1,1,0,0,0,0|0,1,0]=3 63 B7R0.11 C[N+](C)(CF)CCO 3959AE [1,1,0,0,0,0|2,0,0]=4 64 B7R0.14 CC(C)(C)C(N)CO 1480AJ [1,1,0,0,0,0|1,0,0]=3 65 B7R0.14 CCC(=O)C(C)(C)C Y9483 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.17 CC(C)(Br)C(C)(C)Br 5212AL [0,1,0,0,1,0|2,0,0]=4 67 B7R0.17 CC(C)(N)C(C)(C)N 5231AL [0,1,0,0,1,0|2,0,0]=4 68 B7R1.2 CN1CCC(N)C1 9936AH [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 CN1CCC(N)C1 X9823 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 CN1CC[C@@H](N)C1 3935AE [1,0,0,1,0,0|2,0,0]=4 71 B7R1.2 NC1CCC(O)C1 X9254 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [1,0,0,1,0,0|1,0,0]=3 73 B7R1.2 OC1CCC(O)C1 7614AJ [1,0,0,1,0,0|0,1,0]=3 74 B7R1.14 CC1(C)CCCN1 W7438 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.14 CC1(O)CCNC1 Y1200 [1,0,0,1,0,0|1,1,0]=4 76 B7R1.14 CC1(O)CCNC1 Y7315 [1,0,0,1,0,0|1,1,0]=4 77 B9R1.10 CC1(C)CCC(N)CC1 0566AB [0,0,0,1,0,1|2,0,0]=4 78 B9R1.10 CC1(C)CCC(N)CC1 2149AB [0,0,0,1,0,1|2,0,0]=4 79 B9R1.51 CC(C)(C)N1CC(O)C1 5858AA [0,0,0,1,0,1|1,0,0]=3 80 B9R1.66 CC1(C)CC(I)CCO1 2840AJ [0,1,0,1,0,0|1,1,0]=4 81 B9R1.66 CC1(C)CC(O)CCO1 1322AJ [0,1,0,1,0,0|0,1,0]=3 82 B9R1.38 CN1C[C@H](O)C[C@]1(C)O X6514 [0,1,0,1,0,0|0,1,0]=3 83 B5R0.5 CC(C)C(C)O 6096AL [1,0,0,0,1,0|0,0,0]=2 84 B5R0.5 CC(S)C(C)S 9352AJ [1,0,0,0,1,0|0,1,0]=3 85 B7R0.6 CC(Br)CCC(C)Br V1473 [1,0,0,0,0,1|2,0,0]=4 86 B7R0.6 CC(C)CCC(C)Br 5483AJ [1,0,0,0,0,1|1,0,0]=3 87 B7R0.6 CC(C)OCC(=O)O 0549AE [1,0,0,0,0,1|1,0,1]=4 88 B7R0.6 CC(C)SSC(C)C W6227 [1,0,0,0,0,1|2,0,0]=4 89 B7R0.6 CC(O)CCC(C)O Q324 [1,0,0,0,0,1|0,1,0]=3 90 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [1,0,0,0,0,1|0,1,0]=3