0 B8R0.21 CC(C)(C)OCCC=O AT13970 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.8 COCCC(C)(C)N D75145 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.8 CONCC(C)(C)C AT24905 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.56 CC(=O)SCC[N+](C)(C)C C15407 [0,1,0,0,0,0|2,1,0]=4 4 B9R0.56 C[Si](C)(C)CCOC(=O)Cl S11034 [0,1,0,0,0,0|1,1,0]=3 5 B9R0.56 [2H]C([2H])(C)CCCC(=O)O D98190 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.133 CC1(C)OC[C@@H](C=O)O1 F18084 [0,0,0,1,0,0|2,1,0]=4 10 B6R0.4 CC(C)CCNN AC3937 [2,0,0,0,0,0|2,0,0]=4 11 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|1,1,0]=4 12 B6R0.5 C=CCC(C)(C)N 68260 [2,0,0,0,0,0|1,0,1]=4 13 B6R0.5 CC(C)(C)CON AT14507 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.5 CC(C)(I)CCO AC4846 [2,0,0,0,0,0|1,0,0]=3 15 B6R0.5 CC(F)(F)CCO AT12474 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.5 CCCC(C)(C)C D87693 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.5 C[N+](C)(C)CCO AC6994 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|2,0,0]=4 19 B8R0.28 CC(=O)CCCN(C)C AC6136 [1,1,0,0,0,0|2,0,0]=4 20 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [1,1,0,0,0,0|0,0,0]=2 21 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.28 CN(C)CCCC(=O)O A11102 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.14 CC(C)(C)[C@@H](O)CON AT14525 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.24 C=C[C@@H](C)CC(C)(C)C T72472 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.25 C=CCCC(C)(C)CO 77893 [1,1,0,0,0,0|1,1,0]=4 27 B8R0.29 CC(=O)CSC(C)(C)C F17486 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [1,1,0,0,0,0|1,1,0]=4 30 B10R0.156 CSSC(C)(C)CCOC=O W11138 [0,2,0,0,0,0|0,0,0]=2 31 B10R0.60 C[N+](C)(C)CCOC(=O)CBr D86709 [0,2,0,0,0,0|2,0,0]=4 32 B10R0.31 CC(C)(C)C[C@H](N)CC(=O)O N14205 [0,2,0,0,0,0|2,0,0]=4 33 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,1,0,0|1,1,0]=4 34 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,1,0]=4 39 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.51 CC1(C)CC(=O)CO1 P20320 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.51 CC1(C)CC(=O)CS1 31047 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.55 CC(C)(C)[C@@H]1CNC(=O)C1 94581 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.55 CC(C)(C)[C@@H]1COC(=O)N1 AT13635 [0,1,0,1,0,0|1,0,0]=3 44 B10R1.485 C[C@]1(C#N)CCCC(=O)C1 D77342 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.171 CC1(C)CCC[C@H](C=O)C1 AT26803 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.350 CC1(CCCC(=O)O)CC1 C15726 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,1,0,1,0,0|2,0,0]=4