0 B9R0.53 CB(OC(C)C)OC(C)C 6160-1-10 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.53 CC(=O)CC(=O)CC(C)C 2118-1-06 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.53 CC(C)CC(O)CC(C)C 2102-1-0A [0,0,0,0,0,0|0,0,0]=0 3 B9R0.53 CC(C)NC(=S)NC(C)C 7167-1-07 [0,0,0,0,0,0|2,1,1]=4 4 B9R0.53 CN(C)CC(O)CC(=O)O 4129-1-X1 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.5 CCCC(=O)NC(C)C 4148-1-0K [1,0,0,0,0,0|1,0,2]=4 6 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [1,0,0,0,0,0|1,0,1]=3 7 B8R0.28 CC(=O)CCCN(C)C 4156-1-51 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.28 CC(=O)CCOC(C)C 2117-1-0F [1,0,0,0,0,0|2,0,1]=4 9 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(C)CNCC(C)C 3133-5-09 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.28 CC(C)COCC(C)C 2107-1-0D [1,0,0,0,0,0|1,0,0]=2 12 B8R0.28 CC(C)C[AlH4]CC(C)C 9113-1-01 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.28 CC(F)COCC(C)F 2107-3-0D [1,0,0,0,0,0|3,0,0]=4 14 B10R1.329 CC1CC(=O)CC(C)(C)C1 2217-1-0S [0,0,0,1,0,0|0,0,2]=3 15 B10R1.329 CC1CC(N)CC(C)(C)C1 3230-1-0J [0,0,0,1,0,0|1,0,0]=2 16 B10R1.329 CC1CC(O)CC(C)(C)C1 2202-1-0G [0,0,0,1,0,0|0,0,0]=1 17 B10R1.329 C[C@@H]1C[C@@H](O)CC(C)(C)C1 2202-1-1A [0,0,0,1,0,0|0,0,0]=1 18 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,0,0,0,1,0|2,0,1]=4 19 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,0,0,0,1,0|2,0,1]=4 20 B8R0.23 CC(C)NC(=O)C(C)C 4148-1-20 [0,0,0,0,1,0|1,0,2]=4 21 B10R0.96 CC(C)COC(=O)CC(C)C 2123-1-0L [0,0,0,0,0,1|0,0,2]=3 22 B7R0.2 CC(C)C[C@H](N)CO 4156-1-S6 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 CCC(=O)CC(C)C 2117-1-0D [2,0,0,0,0,0|0,0,2]=4 24 B7R0.2 CCC(C)CC(C)C 1100-1-24 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.2 CN(C)CC(O)CCl 4156-5-X2 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.4 C=C(C)CCCCC 1300-1-36 [2,0,0,0,0,0|0,0,2]=4 27 B7R0.4 CC(C)NCCCO 4156-1-3T [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CC(C)OCCCCl 2107-5-0Y [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CC(C)OCCCF 2107-3-6X [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CCCCCC(C)=O 2117-1-14 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.4 CCCCCC(C)N 3130-1-X7 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.4 CCCCCC(C)O 2102-1-05 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 CCCOCC(C)F 2107-3-7Q [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 CN(C)CCCCN 3132-1-00 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 CN(C)CCCCO 4132-1-04 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CNCCNC(C)C 3131-1-20 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.4 COCCCN(C)C 4156-1-53 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 COCCNC(C)C 4156-1-3P [2,0,0,0,0,0|2,0,0]=4 39 B7R0.7 CCCC(C)CCO 2101-1-0B [2,0,0,0,0,0|2,0,0]=4 40 B7R0.7 CCCC(N)CCC 3130-1-00 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 CCCC(O)CCC 2102-1-12 [2,0,0,0,0,0|0,0,0]=2 42 B7R0.7 CSCC(O)CSC 6166-1-13 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.4 CCCCC(C)CC(C)C 1100-1-29 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.56 CC(C)CCCC(C)(C)Cl 1100-5-43 [1,1,0,0,0,0|0,0,0]=2 45 B9R0.56 CN(C)CCCC(C)(C)Cl 3132-5-06 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.11 CC(C)C(C)(C)CN(C)C 3133-5-03 [0,1,0,0,1,0|2,0,0]=4 47 B9R0.11 CC(C)CC(C)(C)C(C)O 2102-1-00 [0,1,0,0,1,0|2,0,0]=4 48 B9R0.39 CC(C)N[C@H](CO)C(C)C 4156-1-3W [0,1,0,0,1,0|1,0,0]=3 49 B9R1.13 CN(C)C[C@@H]1CCCN1 3H31-5-S0 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.34 CC1CC(=O)CC(C)C1 2217-1-1B [1,0,0,1,0,0|0,0,2]=4 51 B9R1.34 CC1CC(C)CC(O)C1 2202-1-0K [1,0,0,1,0,0|0,0,0]=2 52 B9R1.41 CN(C)[C@H]1CCC[C@@H]1O 4256-1-09 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.66 CC1(C)CC(O)CCO1 2H02-1-05 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.66 CC1(C)CCCC(=O)C1 2217-1-32 [1,0,0,1,0,0|0,0,2]=4 55 B9R1.35 CC(C)N1CCC(N)C1 3H30-1-PZ [1,0,0,1,0,0|2,0,0]=4 56 B9R1.35 CC(C)N1CCC(O)C1 4H01-1-DM [1,0,0,1,0,0|2,0,0]=4 57 B9R1.35 CC(C)N1CC[C@@H](N)C1 3H30-1-RG [1,0,0,1,0,0|2,0,0]=4 58 B9R1.35 CC(C)N1CC[C@H](N)C1 3H30-1-SG [1,0,0,1,0,0|2,0,0]=4 59 B9R1.49 CN1CCCC(O)CC1 4H01-5-2K [1,0,0,1,0,0|2,0,0]=4 60 B9R1.36 CC1CC(C)(C)CC1=O 2217-1-1J [0,0,0,1,1,0|0,0,2]=4 61 B9R1.69 CC1CCC(C)C(O)C1 2202-1-0P [0,0,0,1,1,0|0,0,0]=2 62 B9R1.69 CC1CCC(O)CC1C 2202-1-0R [0,0,0,1,1,0|2,0,0]=4 63 B9R1.112 CC(C)C(C)NC1CC1 3231-1-0F [0,0,0,1,1,0|2,0,0]=4 64 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 2202-1-0V [0,1,0,1,0,0|0,0,0]=2 65 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O 2202-1-0A [0,1,0,1,0,0|0,0,0]=2 66 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 2202-1-0N [0,1,0,1,0,0|0,0,0]=2 67 B11R1.1362 CC1(C)CC(=O)CC(C)(C)C1 2217-1-36 [0,1,0,1,0,0|0,0,2]=4 68 B11R1.1362 CC1(C)CC(Cl)CC(C)(C)N1 3H31-5-23 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 2H02-1-04 [0,1,0,1,0,0|0,0,0]=2 70 B11R1.80 CC1=NC(CC(C)C)SC1C 7H70-1-6A [0,1,0,1,0,0|2,0,0]=4 71 B11R1.157 CC(C)=CC1CC(C)CCO1 2H10-1-0T [0,1,0,1,0,0|0,0,2]=4 72 B11R2.845 [C@@H]12CC[C@H](CC1C(C)N)C2 3230-1-0L [0,0,0,2,0,0|2,0,0]=4 73 B7R0.5 CC(C)C(N)CCO 4156-1-86 [1,0,0,0,1,0|2,0,0]=4 74 B7R0.5 CCCC(=O)C(C)C 2117-1-0L [1,0,0,0,1,0|0,0,2]=4 75 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,0,0,0,1,0|1,0,1]=4 76 B7R0.6 CC(C)CCC(C)O 2102-1-0C [1,0,0,0,1,0|1,0,0]=3 77 B7R0.6 CC(F)COC(C)C 2107-3-6W [1,0,0,0,1,0|2,0,0]=4 78 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [1,0,0,0,1,0|2,0,0]=4 79 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [1,0,0,0,1,0|2,0,0]=4 80 B7R0.16 CC(C)C(=O)C(C)C 2117-1-17 [0,0,0,0,2,0|0,0,2]=4 81 B9R0.55 CC(=O)CCOCC(C)C 2117-1-0G [1,0,0,0,0,1|1,0,1]=4 82 B9R0.55 CC(C)NCCNC(C)C 3131-1-16 [1,0,0,0,0,1|1,0,0]=3