0 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.6 CNCCCC(=O)OC M43486 [1,0,0,0,0,0|1,0,1]=3 2 B8R0.6 COC(=O)CCCCBr M41523 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.6 COC(=O)CCCCCl M63406 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.6 COC(=O)CCCCN M43490 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.6 COCCCC(=O)OC M68350 [1,0,0,0,0,0|0,0,1]=2 6 B8R0.9 COC(=O)CCC(=O)Cl C6883 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.9 COC(=O)CCC(=O)O M37827 [1,0,0,0,0,0|0,0,0]=1 8 B8R0.9 COC(=O)NCC(=O)O M40229 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [1,0,0,0,0,0|0,0,2]=3 10 B10R0.45 COC(=O)CCC(OC)OC M69673 [0,1,0,0,0,0|0,0,2]=3 11 B10R0.46 C=C(CC(=O)OC)C(=O)OC D69582 [0,1,0,0,0,0|0,0,1]=2 12 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC D38517 [0,1,0,0,0,0|0,0,0]=1 13 B10R0.46 COC(=O)C[C@H](N)C(=O)OC A61977 [0,1,0,0,0,0|0,0,0]=1 14 B10R0.46 COC(=O)C[C@H](N)C(=O)OC D68297 [0,1,0,0,0,0|0,0,0]=1 15 B10R0.108 CCOC(=O)CNC(=O)OC E41521 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.14 COC(=O)C1=CC(=O)CC1 M46257 [0,0,0,1,0,0|1,0,2]=4 17 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.14 COC(=O)N1CCC(=O)C1 M43388 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,0,0,1,0,0|1,0,0]=2 22 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M10758 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M6847 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 M5245 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 M63312 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,0,0,1,0,0|2,0,1]=4 35 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,0,0,0,1,0|2,0,0]=3 36 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,0,0,0,1,0|2,0,0]=3 40 B8R0.19 COC(=O)CC(=O)OC D60836 [0,0,0,0,1,0|0,0,0]=1 41 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,0,0,0,1,0|1,0,1]=3 42 B10R0.59 COC(=O)C=CCC(=O)OC D43729 [0,0,0,0,0,1|0,0,1]=2 43 B10R0.59 COC(=O)CNCC(=O)OC D43461 [0,0,0,0,0,1|0,0,0]=1 44 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.3 COC(=O)CNC=O M40228 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 COC=CC(=O)OC M39186 [2,0,0,0,0,0|0,0,1]=3 51 B7R0.3 CO\C=C\C(=O)OC M41228 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.4 CNCCCC(=O)O M63276 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 COCCCC(=O)O M67387 [2,0,0,0,0,0|0,0,1]=3 54 B7R0.6 CC(=O)CCC(C)=O H64912 [2,0,0,0,0,0|0,0,0]=2 55 B7R0.6 CC(=O)CNC(C)=O X41261 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.6 CN(C)CCC(=O)O D41335 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.6 NC(=O)CCC(=O)O A63078 [2,0,0,0,0,0|1,0,0]=3 58 B9R0.1 C=C(C)CCCC(=O)OC M47085 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.1 COC(=O)CCCC(C)=O M62839 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.5 CCC=CCC(=O)OCC E47083 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [1,1,0,0,0,0|1,0,1]=4 62 B9R0.46 COC(=O)CCCCCBr M39296 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.46 COC(=O)CCCCCN M67967 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.21 COC(=O)CCS(=O)(=O)Cl M40237 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [1,1,0,0,0,0|0,0,0]=2 68 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [1,1,0,0,0,0|0,0,0]=2 72 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [1,1,0,0,0,0|0,0,0]=2 73 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [1,1,0,0,0,0|0,0,0]=2 74 B9R0.48 C=C(C)CCC(=O)OCC E69099 [1,1,0,0,0,0|1,0,0]=3 75 B9R0.48 CCOC(=O)CCC(C)=O E36601 [1,1,0,0,0,0|0,0,0]=2 76 B9R0.48 CCOC(=O)CNC(C)=O E68877 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.26 COC(=O)CC(OC)OC M41564 [0,1,0,0,1,0|0,0,2]=4 78 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [0,1,0,0,1,0|1,0,0]=3 79 B9R0.27 COC(=O)C(Cl)C(=O)OC D41185 [0,1,0,0,1,0|0,0,0]=2 80 B9R0.27 COC(=O)C(F)C(=O)OC D1449 [0,1,0,0,1,0|0,0,0]=2 81 B9R0.27 COC(=O)C(N)C(=O)OC D41379 [0,1,0,0,1,0|0,0,0]=2 82 B11R0.110 COC(=O)CC(=O)CC(=O)OC D69010 [0,1,0,0,0,1|0,0,0]=2 83 B11R0.110 COC(=O)CC(N)CC(=O)OC D38911 [0,1,0,0,0,1|0,0,0]=2 84 B11R0.110 COC(=O)CC(N)CC(=O)OC D49697 [0,1,0,0,0,1|0,0,0]=2 85 B11R0.110 COC(=O)CC(O)CC(=O)OC D43830 [0,1,0,0,0,1|0,0,0]=2 86 B11R0.120 COC(=O)CC[C@H](Br)C(=O)OC D43785 [0,1,0,0,0,1|0,0,0]=2 87 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC G69375 [0,1,0,0,0,1|0,0,0]=2 88 B11R0.43 CCOC(=O)C(=O)CC(=O)CC E47029 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.62 CCOC(=O)C#CC(=O)OCC D69328 [0,2,0,0,0,0|0,0,2]=4 90 B11R0.62 CCOC(=O)CSC(=S)OCC E43822 [0,2,0,0,0,0|1,1,0]=4 91 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.11 COC(=O)C1CC=CC1 M13554 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.11 COC(=O)C1CCCC1 M43805 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [1,0,0,1,0,0|0,0,1]=3 97 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [1,0,0,1,0,0|0,0,1]=3 102 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [1,0,0,1,0,0|0,0,1]=3 103 B9R1.79 COC(=O)CC1CNC1 M0406 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.79 COC(=O)CC1CNC1 M37284 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.79 COC(=O)CC1COC1 M0309 [1,0,0,1,0,0|0,0,1]=3 106 B9R1.81 COC(=O)C1CNC1C M21134 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [1,0,0,1,0,0|1,0,0]=3 110 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [1,0,0,1,0,0|1,0,0]=3 114 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.69 CN1CC(=O)NCC1=O M15489 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [1,0,0,1,0,0|0,0,0]=2 121 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.82 COC(=O)C1CC(N)C1 M13744 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.82 COC(=O)C1CC(O)C1 M0318 [1,0,0,1,0,0|0,0,2]=4 125 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [1,0,0,1,0,0|0,0,2]=4 127 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [1,0,0,1,0,0|0,0,2]=4 130 B9R1.95 COC1CC(C(=O)O)C1 M11729 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,1,0|2,0,0]=4 134 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,1,1,0|2,0,0]=4 135 B11R1.22 COC(=O)C1CCC(=O)CC1 M47024 [0,0,0,1,0,1|1,0,0]=3 136 B11R1.22 COC(=O)N1CCC(=O)CC1 M43780 [0,0,0,1,0,1|1,0,0]=3 137 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 M41441 [0,0,0,1,0,1|1,0,0]=3 138 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 M0586 [0,0,0,1,0,1|1,0,0]=3 139 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)OC D25542 [0,0,0,1,0,1|0,0,0]=2 140 B11R1.851 COC(=O)[C@H]1C[C@H]1C(=O)OC D61891 [0,0,0,1,0,1|0,0,0]=2 141 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 O7322 [0,1,0,1,0,0|1,0,0]=3 142 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 M41440 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 M47023 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 M7686 [0,1,0,1,0,0|1,0,0]=3 145 B11R1.226 COC(=O)C1CC(=O)C(Br)C1 M37161 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.854 COC(=O)[C@H]1CC(=O)C1(C)C M11838 [0,1,0,1,0,0|1,0,0]=3 147 B11R1.15 CCOC(=O)N1CCC(=O)C1 E1177 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 P69422 [0,1,0,1,0,0|2,0,0]=4 149 B11R1.15 CCOC(=O)[C@@H]1CNC(=O)C1 E43778 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 E11055 [0,1,0,1,0,0|1,0,0]=3 151 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 E38583 [0,1,0,1,0,0|2,0,0]=4 152 B11R2.1939 COC(=O)C1CC2(CO2)C1 M60145 [0,0,0,2,0,0|1,0,1]=4 153 B7R0.2 CCC(=O)CC(C)=O H69646 [1,0,0,0,1,0|1,0,0]=3 154 B7R0.2 CCC(=O)OC(C)=O A41227 [1,0,0,0,1,0|2,0,0]=4 155 B7R0.2 COC(=O)C=C(C)C M41461 [1,0,0,0,1,0|1,0,1]=4 156 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,0,0,0,1,0|1,0,0]=3 157 B7R0.2 COC(=O)CC(=O)O M37882 [1,0,0,0,1,0|0,0,0]=2 158 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,0,0,0,1,0|0,0,1]=3 159 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,0,0,0,1,0|1,0,1]=4 160 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,0,0,0,1,0|0,0,2]=4 161 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,0,0,0,1,0|0,0,2]=4 162 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,0,0,0,1,0|1,0,1]=4 163 B7R0.10 CCC(=O)C(=O)CC H41459 [0,0,0,0,2,0|2,0,0]=4 164 B7R0.10 COC(=O)C(=O)CBr M2726 [0,0,0,0,2,0|2,0,0]=4 165 B11R0.106 COC(=O)CCSCC(=O)OC M43828 [0,0,0,0,0,2|0,0,0]=2