0 B7R0.9 CC(=O)CS(C)(=O)=O 6163-1-06 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.9 CC(C)(C)NC(N)=S 7167-1-04 [0,0,0,0,0,0|3,1,0]=4 3 B7R0.9 CC(C)(C)OC(N)=O 4156-1-65 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.9 O=C(O)CC(F)(F)F 2121-3-11 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.2 CC(=O)CC(C)C 2118-1-02 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.2 CC(C)CB(O)O 6160-1-X3 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 CN(C)CC(=O)O 4158-1-40 [1,0,0,0,0,0|0,0,1]=2 14 B6R0.2 CN(C)CC(N)=S 7167-5-01 [1,0,0,0,0,0|1,1,1]=4 15 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.5 C=CC[Si](C)(C)C 5380-1-01 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.5 C=CC[Si](C)(C)Cl 5381-5-03 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.5 CC(C)(C)ON=O 4145-1-X1 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.5 C[Si](C)(C)CCO 6180-1-X1 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.24 CC(C)(C)NC(=O)CCl 4148-5-11 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.24 CC(C)(C)OC(=O)CBr 2123-9-07 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.24 CC(C)(C)OC(=O)CN 4158-1-32 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.24 CC(C)(C)OC(=O)CN 4158-5-46 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.24 CC(C)(C)OC(=O)NO 4156-1-03 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.24 CNC(=O)OC(C)(C)C 4156-1-36 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 4157-1-34 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 4157-1-04 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O 8157-1-X0 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.51 CC1(C)COC(=S)N1 8H67-1-X7 [0,0,0,1,0,0|2,1,0]=4 30 B8R1.77 O=C(O)C1CC1(F)Cl 2221-7-X0 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.77 O=C(O)C1CC1(F)F 2221-3-X2 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.77 [C@H]1(C(N)=O)CC1(C)C 4248-1-S1 [0,0,0,1,0,0|2,0,0]=3 33 B6R0.7 CC(=O)C(C)(C)C 2117-1-05 [0,0,0,0,1,0|2,0,0]=3 34 B6R0.7 CC(C)(Br)C(N)=O 4148-9-X0 [0,0,0,0,1,0|3,0,0]=4 35 B6R0.7 CC(C)(C)C(=N)N 4141-5-X0 [0,0,0,0,1,0|3,0,0]=4 36 B6R0.7 CC(C)(C)C(N)=O 4148-1-26 [0,0,0,0,1,0|2,0,0]=3 37 B6R0.7 CC(C)(C)C(N)=S 7169-1-00 [0,0,0,0,1,0|2,1,0]=4 38 B6R0.7 CC(C)(C)S(N)=O 8169-1-01 [0,0,0,0,1,0|3,0,0]=4 39 B6R0.7 CC(C)(C)[S@@](N)=O 8169-1-S2 [0,0,0,0,1,0|3,0,0]=4 40 B6R0.7 CC(C)(C)[S@](N)=O P311-A-51 [0,0,0,0,1,0|3,0,0]=4 41 B6R0.7 CC(C)(F)C(=O)O 2121-3-57 [0,0,0,0,1,0|2,0,0]=3 42 B6R0.7 CC(C)(O)C(=O)O 2129-1-10 [0,0,0,0,1,0|2,0,0]=3 43 B6R0.7 CC(F)(Br)C(=O)O 2121-B-06 [0,0,0,0,1,0|3,0,0]=4 44 B6R0.7 CC(F)(F)C(=O)O 2121-3-52 [0,0,0,0,1,0|3,0,0]=4 45 B8R0.29 CC(C)(C)OCC(=O)O 2121-1-X5 [0,0,0,0,0,1|1,0,0]=2 46 B5R0.1 CC#CC(=O)O 2521-1-13 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 CC(C)CCO 2101-1-53 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CCCC(=O)Cl 2116-5-09 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 COCC(=O)Cl 2116-5-X4 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CSCC(=O)O 6166-1-05 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 O=C(O)CCO 2129-1-Y8 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.4 CC(C)(C)C=O 2115-1-X3 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.4 CC(C)(C)CCl 1100-5-20 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.4 CC(C)(C)CO 2101-1-08 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.4 CC(C)(C)NO 4147-5-X0 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.4 CC(C)(F)CO 2101-3-97 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.4 CC(C)(N)CO 4156-1-X8 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.4 CC(C)(O)CO 2104-1-09 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CCC(C)(C)C 1100-1-32 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.4 C[Si](C)(C)CCl 5181-5-25 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [1,1,0,0,0,0|0,0,2]=4 67 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.11 C[N+](C)(CBr)CCO 4156-9-01 [1,1,0,0,0,0|0,0,1]=3 69 B7R0.11 C[N+](C)(CF)CCO 4156-7-01 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.14 CC(C)(C)[C@@H](N)CO G311-A-12 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.13 CC(C)(CF)C(=O)O 2121-3-0B [0,1,0,0,1,0|1,0,0]=3 72 B7R0.13 CC(C)(CN)C(N)=O 4148-1-38 [0,1,0,0,1,0|2,0,0]=4 73 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,1,0,0,1,0|2,0,0]=4 74 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 4158-5-SU [0,2,0,0,0,0|1,0,0]=3 75 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,2,0,0,0,0|1,0,1]=4 76 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.12 O=C(O)C1CC1F 2221-3-0B [1,0,0,1,0,0|2,0,0]=4 78 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.26 CC(C)(C)C1CO1 2109-1-0A [1,0,0,1,0,0|1,0,1]=4 81 B7R1.19 CC1(C(=O)O)CC1 2221-1-X3 [0,0,0,1,1,0|1,0,0]=3 82 B7R1.19 NC1(C(=O)O)CC1 4257-1-X0 [0,0,0,1,1,0|2,0,0]=4 83 B7R1.19 O=C(O)C1(F)CC1 2221-3-18 [0,0,0,1,1,0|2,0,0]=4 84 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,0,0,1,1,0|2,0,0]=4 85 B9R1.10 CC1(C)CCC(=O)CC1 G311-A-56 [0,0,0,1,0,1|2,0,0]=4 86 B9R1.164 CC1(C)CC(C(=O)O)C1 2221-1-27 [0,0,0,1,0,1|1,0,0]=3 87 B9R1.38 CC1(C)CC(=O)OC1=O 2H26-1-08 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.128 O=C(O)CC1(CS)CC1 6261-1-X0 [0,1,0,1,0,0|1,0,0]=3 89 B5R0.5 CC(=O)C(=O)O 2129-1-03 [1,0,0,0,1,0|2,0,0]=4 90 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,0,0,0,1,0|2,0,0]=4 91 B5R0.5 CC(=O)N(C)C 4148-1-08 [1,0,0,0,1,0|1,0,1]=4 92 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,0,0,0,1,0|2,0,0]=4 93 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,0,0,0,1,0|2,0,0]=4 94 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,0,0,0,1,0|2,0,0]=4 95 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,0,0,0,1,0|2,0,0]=4 96 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,0,0,0,1,0|2,0,0]=4 97 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,0,0,0,1,0|2,0,0]=4 98 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,0,0,0,0,1|2,0,0]=4 99 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [1,0,0,0,0,1|2,0,0]=4 100 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,0,0,0,0,1|1,0,0]=3 101 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [1,0,0,0,0,1|1,0,1]=4 102 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,0,0,0,0,1|0,0,1]=3