0 B7R0.9 CC(C)(C)CC(=O)O SC-22389 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.9 CC(C)(O)CC(=N)N SC-13198 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,0,0,0,0,0|0,0,1]=1 3 B6R0.2 C=C(C)CC(=O)O SC-31698 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.2 CC(=O)CC(C)=O SC-68118 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.2 CC(=O)C[N+](=O)[O-] SC-67566 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(C)CC(=N)N SC-40541 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 CN(C)CC(=O)O SC-09555 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.2 CN(C)CC(=O)O SC-51828 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.2 CN(C)CC(N)=S SC-62281 [1,0,0,0,0,0|1,1,1]=4 11 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.5 C=CCC(C)(C)O SC-70433 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.5 CC(C)(C)CCBr SC-47082 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.5 CC(C)(C)CCO SC-05864 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.5 C[N+](C)(C)CCO SC-58008 [1,0,0,0,0,0|0,0,2]=3 16 B8R0.24 C[N+](C)(C)CC(O)CCl SC-80861 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.27 CC(C)(O)[C@H](N)C(=O)O SC-58234 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.33 CC(C)(C)CS(N)(=O)=O SC-35348 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.34 CCC(C)(C)OC(C)=O SC-87598 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.77 [C@H]1(C(N)=O)CC1(C)C SC-06657 [0,0,0,1,0,0|2,0,0]=3 21 B6R0.7 CC(C)(C)C(=N)N SC-22034 [0,0,0,0,1,0|3,0,0]=4 22 B6R0.7 CC(C)(C)C(=O)O SC-16199 [0,0,0,0,1,0|1,0,1]=3 23 B6R0.7 CC(C)(C)S(=O)Cl SC-81900 [0,0,0,0,1,0|3,0,0]=4 24 B6R0.7 CC(C)(O)C(=O)O SC-25774 [0,0,0,0,1,0|2,0,1]=4 25 B5R0.1 CNCC(=O)[O-] SC-18610 [2,0,0,0,0,0|0,0,1]=3 26 B5R0.1 COCC(=O)O SC-22928 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 COCC(C)=O SC-81373 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.4 CC(C)(C)CN SC-22562 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.4 CC[N+](C)(C)[O-] SC-20985 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.4 C[Si](C)(C)CO SC-58225 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.8 C=CCC[Si](C)(C)C SC-34310 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.8 CC(C)(C)CN=C=O SC-52558 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.14 CC(C)(C)C(=O)C=O SC-33489 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.13 CC(C)(CN)C(N)=O SC-23041 [0,1,0,0,1,0|2,0,0]=4 38 B7R0.13 CCC(C)(C)C(=O)Cl SC-18452 [0,1,0,0,1,0|2,0,0]=4 39 B7R0.13 CCC(C)(C)C(=O)O SC-15366 [0,1,0,0,1,0|1,0,1]=4 40 B9R0.21 COC(=O)COC(C)(C)C SC-72826 [0,1,0,0,0,1|1,0,1]=4 41 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O SC-48718 [0,2,0,0,0,0|1,0,1]=4 42 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.12 CC1CC1C(=O)Cl SC-60998 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.19 CC(=O)C1(C)CC1 SC-47849 [0,0,0,1,1,0|2,0,0]=4 46 B7R1.19 CC1(C(=O)Cl)CC1 SC-45726 [0,0,0,1,1,0|2,0,0]=4 47 B9R1.138 CC1(C)CNC(=O)C1O SC-51804 [0,1,0,1,0,0|2,0,0]=4 48 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [1,0,0,0,1,0|2,0,0]=4 49 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [1,0,0,0,1,0|2,0,0]=4 50 B5R0.5 CC(O)C(=O)[O-] SC-15837 [1,0,0,0,1,0|2,0,0]=4 51 B5R0.5 CC(O)C(=O)[O-] SC-18033 [1,0,0,0,1,0|2,0,0]=4 52 B5R0.5 CC(O)C(=O)[O-] SC-46260 [1,0,0,0,1,0|2,0,0]=4 53 B7R0.6 CC(=O)CCN(C)C SC-53808 [1,0,0,0,0,1|1,0,1]=4 54 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,0,0,0,0,1|0,0,2]=4 55 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-15132 [0,0,0,0,0,2|1,0,0]=3 56 B9R0.56 CC(C)(C)OCCC(=O)O SC-62531 [0,0,0,0,0,2|1,0,1]=4 57 B9R0.56 C[N+](C)(C)C\C=C/C(=O)[O-] SC-50943 [0,0,0,0,0,2|0,0,0]=2