0 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 C=C(C)\C=C\OC(C)=O SC-31173 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C#CCCOC(C)=O SC-50550 [1,0,0,0,0,0|0,0,3]=4 4 B7R0.4 CC(C)CCON=O SC-22768 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.1 C=C\C(C)=C\CC=C(C)C SC-20483 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.1 COC(=O)CCCC(C)=O SC-A5811 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-15132 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.56 CC(=O)SCC[N+](C)(C)C SC-90575 [0,1,0,0,0,0|1,1,1]=4 14 B9R1.35 CC(=O)C1=CC=C(C)O1 SC-74671 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 CC(=O)C1=CC=C(C)S1 SC-03600 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 CC(=O)C1=NC=C(C)S1 SC-25163 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 CC(=O)C1=NC=C(C)S1 SC-35414 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 CC(=O)C1=NOC(C)=C1 SC-33251 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,0|1,0,2]=4 25 B7R0.6 C=C(C)CCC(=O)O SC-31541 [0,0,0,0,1,0|1,0,2]=4 26 B7R0.6 CC(=O)CNC(C)=O SC-72248 [0,0,0,0,1,0|2,0,0]=3 27 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,1,0|2,0,0]=3 28 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,1,0|1,0,1]=3 30 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,1,0|1,0,2]=4 31 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,1,0|2,0,1]=4 32 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,1,0|2,0,1]=4 33 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,1,0|2,0,1]=4 34 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,1,0|2,0,1]=4 36 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,1,0|2,0,1]=4 37 B9R0.55 CC(=O)OC#COC(C)=O SC-80383 [0,0,0,0,0,1|1,0,2]=4 38 B6R0.4 C#CCOC(C)=O SC-90220 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.4 C=CCCC(=O)Cl SC-20705 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 C=CCCC(=O)O SC-25836 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 C=CCNC(C)=O SC-48071 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 C=COCC(C)C SC-19102 [2,0,0,0,0,0|0,0,2]=4 43 B6R0.4 CC(=O)OCCO SC-95931 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CC(C)=CCCBr SC-A5828 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.4 CC(C)=NNC=O SC-26098 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CN(C)\C=C\C=O SC-19334 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 COCCN(C)C SC-21743 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CO\C=C\C(C)=O SC-71024 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 C\C=C\CC(=O)O SC-10968 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.5 C=CC[C@@H](O)C=C(C)C SC-31319 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.5 C=CC[C@H](O)C=C(C)C SC-31274 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.5 CCOC(=O)C=C(C)C SC-49947 [1,1,0,0,0,0|0,0,2]=4 53 B8R0.7 COCCCOC(C)=O SC-26578 [1,1,0,0,0,0|0,0,2]=4 54 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.9 COC(=O)CCC(C)=O SC-74448 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.9 COC(=O)CNC(C)=O SC-66088 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,1,0|1,0,1]=4 58 B8R0.23 CC(=O)O[C@@H](C)C(N)=S SC-53477 [0,1,0,0,1,0|2,0,0]=4 59 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,1,0|2,0,0]=4 60 B10R0.55 COC(=O)\C=C\COC(C)=O SC-31050 [0,1,0,0,0,1|1,0,0]=3 61 B10R0.96 CC(=O)CCC(=O)OC(C)C SC-94827 [0,1,0,0,0,1|1,0,1]=4 62 B8R1.19 CC1(C)CCOC1=O SC-15803 [1,0,0,1,0,0|0,0,2]=4 63 B8R1.35 CC(=O)OCC1CO1 SC-74435 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,1,0|0,0,0]=2 65 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,1,0|0,0,2]=4 66 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,1,0|1,0,1]=4 67 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,1,0|1,0,1]=4 68 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,1,0|2,0,0]=4 69 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,1,1,0|2,0,0]=4 70 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,0,0,1,1,0|0,0,2]=4 71 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,0,0,1,1,0|1,0,1]=4 72 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SC-49020 [0,0,0,1,0,1|1,0,1]=4 73 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,2,0|1,0,1]=4 74 B6R0.2 CC(=O)CC(=O)O SC-69749 [0,0,0,0,2,0|2,0,0]=4 75 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,2,0|1,0,0]=3 76 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,2,0|1,0,0]=3 77 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,2,0|1,0,1]=4 78 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,2,0|1,0,1]=4 79 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,2,0|1,0,0]=3 80 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,2,0|1,0,0]=3 81 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,2,0|1,0,0]=3 82 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,2,0|1,0,0]=3 83 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,2,0|1,0,0]=3 84 B6R0.2 CC(C)OC(=O)Cl SC-26628 [0,0,0,0,2,0|1,0,1]=4 85 B6R0.2 CN(C)CC(=O)Cl SC-48853 [0,0,0,0,2,0|2,0,0]=4 86 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,2,0|2,0,0]=4 87 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,2,0|2,0,0]=4 88 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,2,0|2,0,0]=4 89 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,2,0|2,0,0]=4