0 B7R0.9 CC(=O)CC(C)(C)O 2825998 [0,0,0,0,0,0|0,1,2]=3 1 B7R0.9 CC(C)(C)CC(=O)O 1499901 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CN(C)CC(C)(C)O 1366559 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.9 C[N+](C)(C)CC(=O)O 22430433 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(=O)CC(C)C 1366516 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.2 CC(C)CC(=O)Cl 1051698 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.2 CC(C)CC(=O)O 2825611 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.2 CC(C)NC(C)C 14659252 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 CC(C)NC(C)C 7018704991 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.2 CN(C)CC(=O)O 15386257 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.5 CC(C)(C)CCBr 2823818 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.5 CC(C)(C)CCCl 2826144 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 CC(C)(C)CCO 2204684 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.5 CC(C)(N)CON 5246700 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.5 CNCC(C)(C)C 1778570 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.33 CC(C)(C)CC(C)(C)N 12208586 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.51 CC1(C)CCC(=O)C1 5728759 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.51 CC1(C)CCC(N)C1 5728761 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.51 O=S1(=O)CCC(O)C1 7020420372 [0,0,0,1,0,0|2,1,0]=4 19 B6R0.7 CC(=O)C(C)(C)C 2825568 [0,0,0,0,1,0|1,0,2]=4 20 B6R0.7 CC(C)(C)C(=O)O 2825608 [0,0,0,0,1,0|2,0,1]=4 21 B6R0.7 CC(C)(N)C(=O)O 22430391 [0,0,0,0,1,0|2,0,1]=4 22 B6R0.7 CC(C)(O)C(=O)O 22430496 [0,0,0,0,1,0|1,1,1]=4 23 B6R0.7 CC(C)C(C)(C)N 1191426 [0,0,0,0,1,0|2,0,0]=3 24 B8R0.29 CN(C)CCC(C)(C)O 5981132 [0,0,0,0,0,1|2,1,0]=4 25 B5R0.1 CC(C)CC=O 2825368 [2,0,0,0,0,0|0,0,2]=4 26 B5R0.1 CC(C)CCBr 2829190 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 CC(C)CCCl 2825683 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.1 CC(C)CCN 22430471 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 CC(C)CCN 2825383 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CC(C)CCO 2825400 [2,0,0,0,0,0|0,0,0]=2 31 B5R0.1 CC(O)CNN 2630835 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CCCC(=O)O 2825391 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CCCC(C)=O 1366507 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.1 CN(C)CCCl 3463724 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CN(C)CCN 1901621 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CN(C)CCO 1275578 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CNCC(C)O 1366510 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 COCC(C)O 2816677 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 O=C(O)CCS 2825675 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.4 CC(C)(N)CO 2825414 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.4 CC(C)(O)CN 7020694197 [2,0,0,0,0,0|1,1,0]=4 42 B7R0.16 BN(C(C)C)C(C)C 9958117 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.16 CC(C)C(N)C(=O)O 2826029 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.16 CC(C)[C@H](N)C(=O)O 4434592 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.8 CC(C)(C)CCCN 1188064 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.11 COCC(C)(C)C#N 2204697 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.11 COCC(C)(C)CN 2204731 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.64 CC(O)CNC(C)(C)CO 2352593 [0,1,0,0,0,1|0,1,0]=3 49 B9R1.10 CC1(C)OCC(O)CO1 4060126 [0,0,0,1,0,1|0,1,0]=3 50 B9R1.10 CC1CNC(C)(C)CO1 7020690067 [0,0,0,1,0,1|1,0,0]=3 51 B9R1.133 CC1(C)OC[C@H](CO)O1 8916344 [0,1,0,1,0,0|1,1,0]=4 52 B5R0.5 CC(=O)C(C)C 2825372 [1,0,0,0,1,0|0,0,2]=4 53 B5R0.5 CC(=O)C(C)O 2825393 [1,0,0,0,1,0|0,1,1]=4 54 B5R0.5 CC(C)C(=O)O 1201986 [1,0,0,0,1,0|1,0,1]=4 55 B5R0.5 CC(N)C(C)N 5008336 [1,0,0,0,1,0|2,0,0]=4 56 B5R0.5 CC(O)C(C)O 2825429 [1,0,0,0,1,0|0,1,0]=3 57 B5R0.5 CC(S)C(=O)O 2120474 [1,0,0,0,1,0|1,0,1]=4 58 B7R0.6 CC(=O)CSC(C)C 2652748 [1,0,0,0,0,1|0,0,2]=4 59 B7R0.6 CC(C)SCC(=O)O 7020300467 [1,0,0,0,0,1|1,0,1]=4