0 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,0,0,0,0|0,0,2]=2 15 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,0,0|1,0,1]=2 19 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,0,0,0,0,0|0,0,2]=2 30 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,0,0,0,0|1,0,1]=2 31 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,0,0,0,0|1,0,0]=1 36 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,0,0,0,0|1,0,0]=1 37 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,0,0,0,0|0,0,0]=0 38 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,0,0,0,0|1,0,1]=2 40 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,0,0,0,0|1,0,0]=1 41 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,0,0,0,0|1,0,0]=1 42 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,0,0,0,0|1,0,0]=1 45 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,0,0,0,0|1,0,0]=1 46 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,0,0,0,0,0|1,0,1]=2 53 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,0,0,0,0|1,0,0]=1 54 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,0,0,0,0|1,0,0]=1 61 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,0,0,0,0|1,0,0]=1 62 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,0,0,0,0,0|2,0,0]=2 63 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,0,0,0,0,0|3,0,0]=3 66 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,0,0,0,0,0|2,0,0]=2 68 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,0,0,0,0,0|2,0,0]=2 69 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,0,0,0,0,0|2,0,0]=2 71 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,0,0,0,0,0|2,0,0]=2 72 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,0,0,0,0,0|2,0,0]=2 73 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,0,0,0,0,0|2,0,0]=2 76 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,0,0,0,0,0|2,0,0]=2 77 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,0,0,0,0,0|2,0,0]=2 79 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,0,0,0,0,0|2,0,0]=2 88 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,0,0,0,0,0|2,0,0]=2 90 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,0,0,0,0,0|2,0,2]=4 91 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,0,0,0,0,0|2,0,2]=4 92 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,0,0,0,0,0|1,0,1]=2 94 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|0,0,2]=3 95 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|0,0,2]=3 110 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|0,1,2]=4 111 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|0,0,0]=1 116 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|0,0,1]=2 117 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|1,1,1]=4 119 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|0,0,2]=3 120 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|1,1,0]=3 121 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 125 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|3,0,0]=4 130 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|1,0,0]=2 133 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|2,0,0]=3 136 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|1,0,0]=2 137 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|2,0,0]=3 138 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|1,0,0]=2 139 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|1,0,0]=2 143 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 150 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|1,0,2]=4 154 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|1,0,0]=2 156 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|1,0,0]=2 157 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|1,0,1]=3 169 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|0,0,2]=3 170 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,1]=3 171 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|0,0,3]=4 172 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|0,1,1]=3 173 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,1]=3 174 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|0,1,1]=3 177 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 CCC(O)CCl CNP0366953.0 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,0,0,0,0|1,1,1]=4 183 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|0,0,0]=1 185 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|0,0,1]=2 186 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|0,0,0]=1 188 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|0,0,1]=2 190 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|1,0,1]=3 195 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|3,0,0]=4 196 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.3 NC(CO)CO CNP0535001.0 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.3 OCC(O)CCl CNP0334066.0 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.3 OCC(O)CO CNP0259986.0 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,0,0,0,0|1,0,2]=4 207 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,0,0,0,0|1,0,2]=4 208 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,0,0,0,0|1,0,2]=4 209 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,0,0|0,0,2]=3 210 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,0,0|3,0,0]=4 212 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,0,0,0,0|1,0,2]=4 213 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,0,0,0,0|1,0,2]=4 214 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,0,0,0,0|1,0,2]=4 215 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,0,0|1,0,0]=2 216 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,0,0|1,0,1]=3 218 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,0,0|1,0,1]=3 219 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,0,0,0,0|2,0,1]=4 220 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,0,0|1,0,0]=2 224 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,0,0|2,0,0]=3 228 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,0,0|1,0,0]=2 230 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,0,0|1,0,0]=2 231 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,0,0|0,0,0]=1 232 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,0,0,0,0,0|3,0,0]=4 234 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,0,0,0,0,0|1,0,1]=3 236 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,0,0,0,0,0|1,1,1]=4 237 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,0,0,0,0,0|1,0,1]=3 238 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,0,0,0,0,0|1,0,1]=3 239 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,0,0,0,0|1,0,1]=3 240 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,0,0,0,0|1,0,1]=3 241 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,0,0,0,0|1,0,1]=3 242 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,0,0,0,0|1,0,1]=3 243 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,0,0,0,0,0|1,2,0]=4 247 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,0,0|1,0,0]=2 248 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,0,0|1,0,0]=2 249 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,0,0,0,0,0|2,0,1]=4 250 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,0,0|1,0,0]=2 251 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,0,0|1,0,0]=2 252 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,0,0|1,0,0]=2 255 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.5 NC(=O)C(I)I CNP0182681.0 [1,0,0,0,0,0|3,0,0]=4 259 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,0,0,0,0,0|2,0,0]=3 261 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,0,0,0,0,0|2,0,1]=4 262 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,0,0,0,0,0|2,0,0]=3 263 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,0,0,0,0,0|2,0,0]=3 264 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,0,0,0,0,0|2,0,0]=3 265 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,0,0,0,0,0|2,0,0]=3 266 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,0,0,0,0,0|2,0,0]=3 267 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,0,0,0,0,0|2,0,0]=3 268 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,0,0,0,0,0|2,0,0]=3 269 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,0,0,0,0,0|2,0,0]=3 270 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|0,0,2]=3 276 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|0,0,2]=3 277 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|0,0,1]=2 279 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|0,0,2]=3 282 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,0,0,0,0|0,0,1]=2 285 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|0,0,1]=2 286 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|1,0,0]=2 290 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|1,0,0]=2 291 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|1,0,0]=2 292 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|0,0,0]=1 293 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|1,0,0]=2 294 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|2,0,0]=3 295 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|1,0,0]=2 296 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|1,0,0]=2 297 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|0,0,0]=1 298 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|1,0,0]=2 301 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|1,0,0]=2 302 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|1,0,0]=2 304 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|1,0,0]=2 306 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|1,0,0]=2 307 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|1,0,0]=2 308 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|1,0,0]=2 309 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|0,0,0]=1 310 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|0,0,0]=1 311 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|1,0,0]=2 312 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,1,0,0,0,0|1,0,1]=3 313 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,1,0,0,0,0|1,0,1]=3 314 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,1,0,0,0,0|2,0,0]=3 315 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|1,0,0]=2 316 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|1,0,0]=2 317 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,1,0,0,0,0|2,0,0]=3 318 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,1,0,0,0,0|2,0,0]=3 324 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,1,0,0,0,0|2,0,0]=3 326 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|1,0,1]=3 327 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|1,0,0]=2 328 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|1,0,0]=2 329 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,1,0,0,0,0|2,0,0]=3 330 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|1,0,1]=3 331 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|1,0,0]=2 332 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,1,0,0,0,0|3,0,0]=4 334 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,0]=2 336 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|1,0,2]=4 337 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,2]=4 338 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|0,0,2]=3 339 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,0]=2 341 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,0]=2 342 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,0,0,0,0|1,0,1]=3 343 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,0]=2 344 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|0,0,0]=1 347 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|1,0,1]=3 349 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|0,0,0]=1 350 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,0,0,0,0|1,0,1]=3 351 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|1,0,0]=2 352 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|1,0,0]=2 353 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|1,0,0]=2 355 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|2,0,0]=3 358 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,0,1]=3 359 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|2,0,0]=3 360 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.10 C[C@@H](CO)/[N+](=N\O)/[O-] CNP0110510.1 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,0,0,0,0|2,0,0]=3 365 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,1,0,0,0,0|1,0,0]=2 367 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,1,0,0,0,0|0,0,0]=1 369 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,1,0,0,0,0|0,0,0]=1 371 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,1,0,0,0,0|1,0,0]=2 372 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,1,0,0,0,0|0,0,0]=1 373 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,1,0,0,0,0|0,0,0]=1 374 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,1,0,0,0,0|0,0,0]=1 375 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,1,0,0,0,0|1,0,0]=2 376 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,1,0,0,0,0|1,0,0]=2 378 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,1,0,0,0,0|1,0,0]=2 379 B7R0.14 NC[C@H](O)P(=O)(O)O CNP0246536.1 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,1,0,0,0,0|0,0,2]=3 381 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,1,0,0,0,0|0,0,2]=3 382 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,1,0,0,0,0|1,0,0]=2 383 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,1,0,0,0,0|1,0,0]=2 384 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,1,0,0,0,0|1,0,0]=2 385 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,1,0,0,0,0|0,0,0]=1 386 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,1,0,0,0,0|0,0,0]=1 388 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [0,1,0,0,0,0|1,0,1]=3 389 B7R0.15 CCN(CC)C(=S)S CNP0539176.0 [0,1,0,0,0,0|1,2,0]=4 390 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,1,0,0,0,0|0,0,0]=1 391 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,1,0,0,0,0|1,0,0]=2 392 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,1,0,0,0,0|1,0,0]=2 393 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,1,0,0,0,0|1,0,0]=2 394 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,1,0,0,0,0|1,0,0]=2 395 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,1,0,0,0,0|1,0,0]=2 396 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,1,0,0,0,0|1,0,2]=4 397 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,1,0,0,0,0|1,0,0]=2 398 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,1,0,0,0,0|1,0,0]=2 399 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,0|0,0,2]=3 400 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,0|0,0,2]=3 401 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,0|0,0,2]=3 402 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,0|1,0,2]=4 404 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,0,0|1,0,1]=3 406 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,0|0,0,1]=2 407 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,0|2,0,0]=3 410 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,0|2,0,0]=3 411 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,0|2,0,0]=3 412 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,0|1,0,1]=3 413 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|1,0,1]=3 417 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,0|1,0,0]=2 418 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,0,0|2,0,0]=3 419 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,0|1,0,0]=2 421 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,0|1,0,0]=2 422 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,0,0|1,0,0]=2 425 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,0,0|1,0,0]=2 426 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,0,0|1,0,1]=3 427 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,0,0|1,0,0]=2 428 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,0,0|1,0,0]=2 429 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,0,0|1,0,0]=2 430 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|1,0,1]=3 431 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,0,0|1,0,0]=2 432 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,0,0|0,0,0]=1 433 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,0,0|1,0,0]=2 434 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,0,0|1,0,0]=2 435 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,0,0|1,0,0]=2 436 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,0,0|1,0,0]=2 437 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,0,0|1,0,0]=2 438 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,0,0|1,0,0]=2 439 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,0,0|1,0,0]=2 440 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,0,0|1,0,0]=2 441 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,0,0|0,0,0]=1 442 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,0,0|1,0,0]=2 443 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,0,0|1,0,0]=2 444 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,0,0|0,0,0]=1 445 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,0,0|1,0,0]=2 446 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,0,0|0,0,0]=1 447 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,0,0|2,0,0]=3 448 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,0,0|1,0,0]=2 449 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,0,0|1,0,0]=2 450 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,0,0|1,0,0]=2 451 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,0|1,0,0]=2 454 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|0,0,2]=3 455 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|2,0,1]=4 456 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|1,0,2]=4 458 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|0,0,2]=3 459 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,1]=4 460 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|2,0,0]=3 461 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,1,0,0|2,0,1]=4 462 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,1,0,0|2,0,1]=4 463 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|2,0,0]=3 464 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,1,0,0|2,0,1]=4 465 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|2,0,1]=4 466 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|2,0,0]=3 467 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|1,1,0]=3 468 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,0,0]=2 469 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|2,0,1]=4 470 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|2,0,1]=4 471 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|1,0,1]=3 472 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|0,0,0]=1 473 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,0]=3 474 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,0,0]=2 475 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|2,0,1]=4 476 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|0,0,0]=1 477 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,0]=3 478 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|1,0,0]=2 479 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,0,0,1,0,0|3,0,0]=4 480 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,1,0,0|3,0,0]=4 481 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|1,0,0]=2 482 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|1,1,0]=3 483 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,1,0,0|3,0,0]=4 484 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|2,0,1]=4 485 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,1]=4 486 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|3,0,0]=4 487 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|2,0,0]=3 488 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|1,0,2]=4 489 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,1,0,0|2,0,1]=4 490 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|1,0,1]=3 491 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|1,0,2]=4 492 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,0|1,0,2]=4 493 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,0|1,0,1]=3 494 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|1,0,0]=2 495 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,0,1,0,0|2,0,0]=3 496 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,1,0,0|1,0,0]=2 497 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,1,0,0|1,0,0]=2 498 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,0,0,1,0,0|1,0,0]=2 499 B7R1.19 O=C(O)C1(NN1)O CNP0312168.0 [0,0,0,1,0,0|3,0,0]=4 500 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,0,0,0,0,1|1,0,2]=4 501 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,0,0,0,0,1|2,0,1]=4 502 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,0,0,0,0,1|2,0,1]=4 503 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,0,0,0,0,1|1,0,0]=2 504 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,0,0,0,0,1|1,0,2]=4 505 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,0,0,0,1|0,0,2]=3 506 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,0,0,0,1|1,0,1]=3 507 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,0,0,0,1|0,0,1]=2 508 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,0,1|1,0,1]=3 509 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,0,1|2,0,1]=4 510 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,0,0,0,1|1,0,0]=2 511 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,0,0,0,1|0,0,0]=1 512 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,0,0,0,1|1,0,0]=2 513 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,0,0,0,0,1|1,0,0]=2 514 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,0,0,0,0,1|1,0,0]=2 515 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,0,0,0,1|0,0,0]=1 516 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,0,0,0,0,1|2,0,1]=4 517 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,0,0,0,0,1|1,1,0]=3 518 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,0,0,0,0,1|1,1,0]=3 519 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,0,0,0,1|1,0,0]=2 520 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,0,0,0,0,1|2,0,0]=3 521 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,0,0,0,0,1|1,0,0]=2 522 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,0,0,0,0,1|2,0,1]=4 523 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,0,0,0,0,1|2,0,1]=4 524 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,0,0,0,1|2,0,1]=4 525 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,0,0,0,0,1|2,0,1]=4 526 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,0,0,0,0,1|2,0,0]=3 527 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,0,0,0,0,1|2,0,0]=3 528 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,0,0,0,0,1|2,0,0]=3 529 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,0,0,0,0,1|2,0,0]=3 530 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,0,0,0,0,1|2,0,0]=3 531 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,0,0,0,0,1|2,0,1]=4 532 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,0,0,0,0,1|2,0,0]=3 533 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,0,0,0,0,1|2,0,1]=4 534 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,0,0,0,0,1|2,0,0]=3 535 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 536 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|1,0,1]=4 537 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,2]=4 538 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,1]=3 539 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|1,0,1]=4 540 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,2]=4 541 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,0]=3 542 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 543 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 544 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,1]=4 545 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 546 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 547 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 548 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 549 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 550 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,1]=4 551 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,0]=2 552 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,0]=2 553 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,1]=4 554 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,1]=3 555 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,1]=4 556 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,0]=3 557 B4R0.1 CC(N)CN CNP0579261.0 [2,0,0,0,0,0|2,0,0]=4 558 B4R0.1 CC(S)CS CNP0488983.0 [2,0,0,0,0,0|1,1,0]=4 559 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 560 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 561 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 562 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 563 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 564 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 565 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 566 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,0]=2 567 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,1]=3 568 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,1]=3 569 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,1]=3 570 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,1]=3 571 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,0]=3 572 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|1,0,0]=3 573 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|1,0,0]=3 574 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,0]=2 575 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,0]=3 576 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,0]=2 577 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 578 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 579 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 580 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 581 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,1]=4 582 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 583 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 584 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,1]=4 585 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|1,0,1]=4 586 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 587 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|1,0,1]=4 588 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,1]=4 589 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|1,1,0]=4 590 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [2,0,0,0,0,0|2,0,0]=4 591 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|1,0,1]=4 592 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [2,0,0,0,0,0|1,0,1]=4 593 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,0]=3 594 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,0,0]=3 595 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|1,0,1]=4 596 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,0]=3 597 B4R0.1 C[C@H](O)CBr CNP0593715.1 [2,0,0,0,0,0|1,0,0]=3 598 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,0,0]=3 599 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,0,0]=3 600 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 601 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,1]=4 602 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 603 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 604 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 605 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 606 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,0]=3 607 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|1,0,1]=4 608 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 609 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 610 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 611 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 612 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 613 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,0]=3 614 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,0]=3 615 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,1]=4 616 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 617 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 618 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [2,0,0,0,0,0|2,0,0]=4 619 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 620 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|1,0,1]=4 621 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|1,0,0]=3 622 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|2,0,0]=4 623 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|2,0,0]=4 624 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|2,0,0]=4 625 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|2,0,0]=4 626 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|2,0,0]=4 627 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|2,0,0]=4 628 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 629 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,1]=4 630 B4R0.2 CCC#CO CNP0612045.0 [2,0,0,0,0,0|0,0,2]=4 631 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 632 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 633 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 634 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|1,0,1]=4 635 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 636 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,1]=4 637 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,1]=3 638 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,1]=4 639 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|2,0,0]=4 640 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|2,0,0]=4 641 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|2,0,0]=4 642 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,0]=3 643 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 644 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 645 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,1]=4 646 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,1]=4 647 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,0]=3 648 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,0,1]=4 649 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 650 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,1]=4 651 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 652 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,0]=3 653 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,1]=4 654 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,0,1]=4 655 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,1]=4 656 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|2,0,0]=4 657 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|1,0,0]=3 661 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|0,0,2]=4 664 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|1,0,0]=3 668 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,1,0,0,0,0|1,0,0]=3 669 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|0,0,1]=3 670 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|1,0,0]=3 671 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,0]=2 672 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|0,0,0]=2 673 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|0,1,0]=3 674 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,1,0,0,0,0|1,0,1]=4 677 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,1,0,0,0,0|1,0,1]=4 679 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,0]=3 681 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|2,0,0]=4 686 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|1,0,0]=3 687 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|1,0,0]=3 689 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|1,0,0]=3 690 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,1,0,0,0,0|0,0,2]=4 693 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|0,0,2]=4 694 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|0,0,2]=4 695 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|0,0,2]=4 696 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|0,0,1]=3 700 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|1,0,0]=3 701 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|1,0,0]=3 702 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|1,0,0]=3 703 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|2,0,0]=4 704 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|1,0,0]=3 705 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|1,0,1]=4 706 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|2,0,0]=4 707 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,0]=3 708 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|2,0,0]=4 709 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,0]=3 711 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|0,0,0]=2 712 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,0,0]=2 713 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|0,0,0]=2 715 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,0,0]=2 716 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,0]=2 717 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,1]=3 718 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,0]=3 719 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|1,0,1]=4 720 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,1,0,0,0,0|1,0,1]=4 721 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,1,0,0,0,0|0,0,2]=4 723 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|2,0,0]=4 724 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|1,0,1]=4 725 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,1,0,0,0,0|1,0,1]=4 726 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|0,0,1]=3 727 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,1]=4 728 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|2,0,0]=4 729 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|2,0,0]=4 730 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|2,0,0]=4 731 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|2,0,0]=4 732 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|2,0,0]=4 733 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|2,0,0]=4 734 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|0,0,1]=3 735 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|1,0,1]=4 736 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|0,0,1]=3 737 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|1,0,0]=3 738 B6R0.4 CCCCB(O)O CNP0482760.0 [1,1,0,0,0,0|1,0,1]=4 739 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|1,0,0]=3 740 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|1,0,0]=3 741 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,0,0]=2 742 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,0,0]=2 743 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|1,0,1]=4 744 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,0]=3 746 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|1,0,0]=3 747 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|1,0,0]=3 748 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|0,0,0]=2 749 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,0]=3 750 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|0,0,0]=2 751 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|1,0,1]=4 752 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|0,0,0]=2 753 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|0,0,2]=4 754 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,0]=3 755 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,0,0]=3 756 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|0,0,0]=2 757 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|2,0,0]=4 759 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|0,0,1]=3 760 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,0]=3 762 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|0,0,2]=4 763 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|0,0,0]=2 764 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|0,0,2]=4 765 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|0,0,0]=2 766 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|0,0,1]=3 767 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|0,0,1]=3 768 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|1,0,1]=4 769 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,1,0,0,0,0|1,0,1]=4 770 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|1,0,1]=4 771 B6R0.5 CCCC(O)(O)O CNP0084720.0 [1,1,0,0,0,0|0,0,2]=4 772 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [1,1,0,0,0,0|2,0,0]=4 773 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [1,1,0,0,0,0|2,0,0]=4 774 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [1,1,0,0,0,0|2,0,0]=4 775 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [1,1,0,0,0,0|2,0,0]=4 777 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [1,1,0,0,0,0|2,0,0]=4 778 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [1,1,0,0,0,0|2,0,0]=4 779 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [1,1,0,0,0,0|2,0,0]=4 780 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [1,1,0,0,0,0|2,0,0]=4 781 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [1,1,0,0,0,0|2,0,0]=4 782 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|1,0,0]=3 783 B6R0.8 CC(N)(CO)CO CNP0076432.0 [1,1,0,0,0,0|1,0,1]=4 784 B6R0.8 CCC(C)(C)CC CNP0117655.0 [1,1,0,0,0,0|1,0,1]=4 785 B6R0.8 CCC(C)(C)SC CNP0141733.0 [1,1,0,0,0,0|2,0,0]=4 786 B6R0.8 CCC(C)(O)CC CNP0314635.0 [1,1,0,0,0,0|1,0,1]=4 787 B6R0.8 CCC(C)(O)CO CNP0308368.0 [1,1,0,0,0,0|0,0,1]=3 788 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [1,1,0,0,0,0|1,0,1]=4 789 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [1,1,0,0,0,0|1,0,1]=4 790 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [1,1,0,0,0,0|1,0,0]=3 791 B6R0.9 C=CC(OC)OC CNP0324949.0 [1,1,0,0,0,0|2,0,0]=4 792 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,0]=3 793 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|0,0,1]=3 794 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|1,0,1]=4 795 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|0,0,2]=4 796 B6R0.9 CCC(C#N)CC CNP0152089.0 [1,1,0,0,0,0|1,0,1]=4 797 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,0,0]=2 798 B6R0.9 CCC(CC)CC CNP0205695.0 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.9 CCC(CC)SC CNP0410895.0 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|2,0,0]=4 801 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 802 B6R0.9 COC(CO)CO CNP0242404.0 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [1,1,0,0,0,0|1,0,0]=3 804 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [1,1,0,0,0,0|1,0,0]=3 805 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [1,1,0,0,0,0|1,0,0]=3 806 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [1,1,0,0,0,0|0,0,0]=2 807 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [1,1,0,0,0,0|1,0,1]=4 808 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [1,1,0,0,0,0|0,0,0]=2 809 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [1,1,0,0,0,0|0,0,0]=2 810 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [1,1,0,0,0,0|1,0,1]=4 811 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [1,1,0,0,0,0|2,0,0]=4 813 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [1,1,0,0,0,0|2,0,0]=4 814 B6R0.7 O=C(O)C(Br)(Br)Br CNP0082210.0 [1,1,0,0,0,0|2,0,0]=4 815 B6R0.7 O=C(O)C(Cl)(Cl)Cl CNP0083486.0 [1,1,0,0,0,0|2,0,0]=4 816 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,0,0,0,1|0,0,2]=4 817 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,0,0,0,1|0,0,2]=4 818 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,1|2,0,0]=4 819 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,1,0,0,0,1|0,0,2]=4 820 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,0,0,0,1|0,0,2]=4 821 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,0,0,0,1|1,0,1]=4 822 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,0,1|1,0,1]=4 823 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,1|0,0,0]=2 824 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,0,0,0,1|1,0,0]=3 825 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,1|0,0,0]=2 826 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,1|0,0,0]=2 827 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,1|0,0,0]=2 828 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,1|0,0,0]=2 829 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,1|0,0,0]=2 830 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,0,0,0,1|1,0,0]=3 831 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,0,0,0,1|1,0,0]=3 832 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,1|0,0,0]=2 833 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,1|0,0,0]=2 834 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,1|0,0,0]=2 835 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,1|0,0,0]=2 836 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,1|0,0,0]=2 837 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,0,0,0,1|1,0,0]=3 838 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,0,0,0,1|1,0,0]=3 839 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,0,0,0,1|1,0,0]=3 840 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,0,0,0,1|1,0,0]=3 841 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,1|1,0,0]=3 842 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,1,0,0,0,1|2,0,0]=4 843 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,1,0,0,0,1|2,0,0]=4 844 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,1,0,0,0,1|2,0,0]=4 845 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,1,0,0,0,1|2,0,0]=4 846 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,1|2,0,0]=4 847 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,1|2,0,0]=4 848 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,1,0,0,0,1|2,0,0]=4 849 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,1|2,0,0]=4 850 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,1,0,0,0,1|2,0,0]=4 851 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,1|2,0,0]=4 852 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,1|2,0,0]=4 853 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,1|2,0,0]=4 854 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,1|2,0,0]=4 855 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,1|2,0,0]=4 856 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,1|2,0,0]=4 857 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,1,0,0,0,1|1,0,1]=4 858 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,1,0,0,0,1|1,0,1]=4 859 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,1,0,0,0,1|2,0,0]=4 860 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,1|0,0,1]=3 861 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,1|1,0,1]=4 862 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,1|0,0,1]=3 863 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,1|1,0,1]=4 864 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,0,0,0,1|1,0,0]=3 865 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,1,0,0,0,1|1,0,1]=4 866 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,0,0,0,1|1,0,0]=3 867 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,0,0,0,1|0,0,0]=2 868 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,0,0,0,1|1,0,0]=3 869 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,0,0,0,1|1,0,0]=3 870 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,1|1,0,1]=4 871 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,0,0,0,1|1,0,0]=3 872 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [0,1,0,0,0,1|2,0,0]=4 873 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,1,0,0,0,1|1,0,0]=3 874 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,1,0,0,0,1|2,0,0]=4 875 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,1,0,0,0,1|0,0,0]=2 876 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,1,0,0,0,1|1,0,0]=3 877 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,1,0,0,0,1|2,0,0]=4 878 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [0,1,0,0,0,1|1,0,1]=4 879 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,0,0,0,1|0,0,2]=4 880 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,1|0,0,1]=3 881 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,0,0,0,1|1,0,1]=4 882 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,0,0,0,1|1,0,0]=3 883 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,0,0,0,1|1,0,0]=3 884 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,0,0,0,1|1,0,0]=3 885 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,1,0,0,0,1|1,0,1]=4 886 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,1|0,0,0]=2 887 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,1,0,0,0,1|1,0,1]=4 888 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,0,0,0,1|1,0,0]=3 889 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,1,0,0,0,1|1,0,1]=4 890 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,0,0,0,1|1,0,0]=3 891 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,1,0,0,0,1|2,0,0]=4 892 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,1|0,0,2]=4 893 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,0,0,0,1|1,0,1]=4 894 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,1|0,0,1]=3 895 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,0,1|1,0,1]=4 896 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,0,1|2,0,0]=4 897 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,1|1,0,1]=4 898 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,1|0,0,1]=3 899 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,1|1,0,0]=3 900 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,1|1,0,0]=3 901 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,1|1,0,0]=3 902 B8R0.23 CN(CC(=O)O)C(N)N CNP0559607.0 [0,1,0,0,0,1|2,0,0]=4 903 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,1|1,0,1]=4 904 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,1|1,0,1]=4 905 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,1,0,0,0,1|2,0,0]=4 906 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [0,1,0,0,0,1|1,0,1]=4 907 B8R0.24 C[C@H](CO)OP(=O)(O)O CNP0315412.1 [0,1,0,0,0,1|2,0,0]=4 908 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,1,0,0,0,1|1,0,0]=3 909 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,0,0,0,1|0,0,0]=2 910 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,1,0,0,0,1|2,0,0]=4 911 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|1,0,0]=3 912 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|1,0,0]=3 913 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|0,0,2]=4 914 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,1]=4 915 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,2]=4 916 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,0]=3 918 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,0]=3 919 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,2,0,0,0,0|1,0,1]=4 920 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,0]=2 922 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,2,0,0,0,0|1,0,1]=4 924 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|1,0,1]=4 925 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|1,0,1]=4 926 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,0]=2 927 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|2,0,0]=4 928 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|2,0,0]=4 929 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,0]=2 930 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|0,0,0]=2 932 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|1,0,0]=3 933 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|1,0,0]=3 934 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,2,0,0,0,0|1,0,0]=3 935 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,2,0,0,0,0|1,0,0]=3 936 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,2,0,0,0,0|1,0,0]=3 937 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|1,0,0]=3 938 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,2,0,0,0,0|1,0,0]=3 939 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [0,2,0,0,0,0|1,0,1]=4 940 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,2,0,0,0,0|1,0,0]=3 942 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,2,0,0,0,0|1,0,0]=3 943 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,2,0,0,0,0|1,0,0]=3 944 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,2,0,0,0,0|0,0,2]=4 945 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,2,0,0,0,0|1,0,1]=4 946 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|1,0,1]=4 947 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|0,0,1]=3 948 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|0,0,0]=2 951 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|1,0,0]=3 952 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|1,0,0]=3 954 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|1,0,0]=3 955 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|1,0,0]=3 956 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,2,0,0,0,0|1,0,0]=3 957 B8R0.8 CN(CCC#N)C(=O)N CNP0085962.0 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|1,0,1]=4 961 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,2,0,0,0,0|1,0,0]=3 962 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,2,0,0,0,0|1,0,0]=3 963 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,2,0,0,0,0|1,0,0]=3 964 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,2,0,0,0,0|1,0,0]=3 966 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|0,0,0]=2 968 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|0,0,0]=2 969 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,2,0,0,0,0|1,0,0]=3 971 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,2,0,0,0,0|1,0,0]=3 972 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,2,0,0,0,0|1,0,0]=3 974 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,2,0,0,0,0|1,0,0]=3 975 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,2,0,0,0,0|1,0,0]=3 977 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,2,0,0,0,0|1,0,1]=4 979 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,2,0,0,0,0|1,0,0]=3 981 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,2,0,0,0,0|1,0,0]=3 982 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,2,0,0,0,0|1,0,0]=3 984 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [0,2,0,0,0,0|0,0,1]=3 985 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|0,0,0]=2 986 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|0,0,0]=2 987 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|0,0,0]=2 988 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,2,0,0,0,0|0,0,0]=2 989 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,2,0,0,0,0|0,0,0]=2 990 B8R0.12 CNCC(C)(C)C(=O)C CNP0433251.0 [0,2,0,0,0,0|1,0,0]=3 991 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,2,0,0,0,0|0,0,0]=2 992 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,2,0,0,0,0|0,0,0]=2 993 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.14 N[C@@H](CCS)S(=O)(=O)O CNP0045993.1 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,2,0,0,0,0|0,0,1]=3 996 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,2,0,0,0,0|0,0,0]=2 997 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|0,0,0]=2 998 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,2,0,0,0,0|0,0,0]=2 999 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|0,0,0]=2 1001 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|0,0,0]=2 1002 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [0,2,0,0,0,0|1,0,0]=3 1003 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [0,2,0,0,0,0|1,0,0]=3 1004 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|0,0,0]=2 1005 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|0,0,0]=2 1006 B8R0.20 CCN(CC)N(O)N=O CNP0447277.0 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.36 CCC(Br)(CC)C(=O)N CNP0415696.0 [0,2,0,0,0,0|1,0,0]=3 1008 B8R0.36 CCC(C)(CC)C(=O)O CNP0454868.0 [0,2,0,0,0,0|0,0,0]=2 1009 B8R0.36 CCC(N)(CC)C(=O)O CNP0494515.0 [0,2,0,0,0,0|0,0,0]=2 1010 B8R0.36 CCC(O)(CC)C(=O)O CNP0399779.0 [0,2,0,0,0,0|0,0,0]=2 1011 B8R0.36 NC(CO)(CO)C(=O)O CNP0232926.0 [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.37 CC(=O)[C@@](C)(O)[C@@H](C)O CNP0563769.1 [0,2,0,0,0,0|1,0,0]=3 1013 B8R0.37 CC(=O)[C@](C)(O)C(=O)O CNP0358968.1 [0,2,0,0,0,0|0,0,1]=3 1014 B8R0.37 CC(=O)[C@](C)(O)[C@@H](C)O CNP0563769.2 [0,2,0,0,0,0|1,0,0]=3 1015 B8R0.37 CC(C)(C(=O)O)C(=O)O CNP0082122.0 [0,2,0,0,0,0|1,0,1]=4 1016 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,2,0,0,0,0|1,0,0]=3 1017 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,2,0,0,0,0|1,0,0]=3 1018 B8R0.37 CC(O)(C(=O)O)C(=O)O CNP0101764.0 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,2,0,0,0,0|0,0,0]=2 1020 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,2,0,0,0,0|1,0,0]=3 1021 B8R0.37 C[C@@H](O)C(C)(O)[C@@H](C)O CNP0171250.2 [0,2,0,0,0,0|1,0,1]=4 1022 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,2,0,0,0,0|0,0,0]=2 1023 B8R0.37 C[C@H](O)C(C)(O)[C@H](C)O CNP0171250.1 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,2,0,0,0,0|0,0,0]=2 1025 B8R0.37 C[C@H](O)[C@@](C)(O)[C@@H](C)O CNP0171250.3 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,2,0,0,0,0|0,0,0]=2 1027 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,2,0,0,0,0|1,0,0]=3 1029 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,2,0,0,0,0|1,0,0]=3 1031 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,2,0,0,0,0|1,0,0]=3 1032 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,2,0,0,0,0|1,0,0]=3 1033 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,2,0,0,0,0|1,0,0]=3 1034 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,2,0,0,0,0|1,0,0]=3 1035 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,2,0,0,0,0|1,0,0]=3 1036 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,2,0,0,0,0|1,0,0]=3 1037 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C CNP0588198.1 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.27 C[C@@H](N)[C@H](O)P(=O)(O)O CNP0334696.1 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.27 C[C@H](N)[C@@H](O)P(=O)(O)O CNP0334696.2 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.27 C[C@H](O)[C@@H](N)P(=O)(O)O CNP0360371.1 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,2,0,0,0,0|1,0,0]=3 1043 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,2,0,0,0,0|0,0,0]=2 1044 B8R0.18 CCC(C(=O)O)C(=O)O CNP0415777.0 [0,2,0,0,0,0|0,0,1]=3 1045 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,2,0,0,0,0|0,0,0]=2 1046 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,2,0,0,0,0|0,0,0]=2 1047 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,2,0,0,0,0|1,0,0]=3 1048 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,2,0,0,0,0|0,0,0]=2 1049 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,2,0,0,0,0|0,0,0]=2 1050 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,2,0,0,0,0|0,0,0]=2 1051 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,2,0,0,0,0|0,0,0]=2 1052 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,2,0,0,0,0|0,0,0]=2 1053 B8R0.18 COC(C(=O)O)C(=O)O CNP0332418.0 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,2,0,0,0,0|1,0,0]=3 1055 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,2,0,0,0,0|0,0,1]=3 1056 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|2,0,0]=4 1057 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|2,0,0]=4 1058 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|2,0,0]=4 1059 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|1,0,1]=4 1060 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,1]=4 1061 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,2]=4 1062 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,2]=4 1063 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|1,0,0]=3 1064 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,0]=3 1065 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,0]=2 1066 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,0]=3 1067 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 1068 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|2,0,0]=4 1069 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 1070 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|2,0,0]=4 1071 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,0]=3 1072 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,0]=3 1073 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|2,0,0]=4 1074 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|1,0,1]=4 1075 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,1,0,0|1,1,0]=4 1076 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,1,0,0|1,1,0]=4 1077 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,0]=2 1078 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,0,0]=3 1079 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|2,0,0]=4 1080 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,0]=2 1081 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [1,0,0,1,0,0|0,1,1]=4 1082 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|2,0,0]=4 1083 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,0,0,1,0,1|1,0,1]=4 1084 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,1,0,1|1,0,1]=4 1085 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,1,0,1|1,0,0]=3 1086 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,0,0,1,0,1|0,1,0]=3 1087 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,1,0,1|1,0,0]=3 1088 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,1|0,0,0]=2 1089 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,0,0,1,0,1|0,1,0]=3 1090 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,0,0,1,0,1|1,0,1]=4 1091 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,0,0,1,0,1|2,0,0]=4 1092 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,0,0,1,0,1|2,0,0]=4 1093 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,1,0,1|1,0,0]=3 1094 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,0,0,1,0,1|2,0,0]=4 1095 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,0,0,1,0,1|1,0,1]=4 1096 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,1,0,1|2,0,0]=4 1097 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,0,0,1,0,1|2,0,0]=4 1098 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,0,0,1,0,1|2,0,0]=4 1099 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,0,1,0,1|2,0,0]=4 1100 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,0,1,0,1|2,0,0]=4 1101 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,1|1,0,1]=4 1102 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,1|0,0,1]=3 1103 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,1|2,0,0]=4 1104 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,1|2,0,0]=4 1105 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,1|1,0,1]=4 1106 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,1|0,0,0]=2 1107 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,1|1,0,1]=4 1108 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,1|1,0,0]=3 1109 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,1|1,0,0]=3 1110 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,1,0,1|1,0,1]=4 1111 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,1,0,1|1,0,1]=4 1112 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,1|1,0,1]=4 1113 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,1|1,0,0]=3 1114 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,1|1,0,0]=3 1115 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,1,0,1|1,0,1]=4 1116 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,1,0,1|1,0,1]=4 1117 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,1|1,1,0]=4 1118 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,1,0,1|1,0,1]=4 1119 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,1|1,0,1]=4 1120 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,0,1,0,1|1,0,1]=4 1121 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,1|1,0,1]=4 1122 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,1,0,1|0,0,0]=2 1123 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,0,0,1,0,1|1,0,1]=4 1124 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,0,0,1,0,1|1,0,0]=3 1125 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,1,0,1|0,0,0]=2 1126 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,0,0,1,0,1|1,0,1]=4 1127 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,1,0,1|0,0,0]=2 1128 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,0,0,1,0,1|1,0,1]=4 1129 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,1,0,1|1,0,1]=4 1130 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,0,0,1,0,1|0,0,2]=4 1131 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,1|2,0,0]=4 1132 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,0,1,0,1|2,0,0]=4 1133 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,0,0,1,0,1|1,0,1]=4 1134 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|2,0,0]=4 1136 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|1,0,0]=3 1137 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,1,0,0|1,0,1]=4 1138 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,0]=2 1139 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|2,0,0]=4 1140 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|2,0,0]=4 1141 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|2,0,0]=4 1142 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|1,0,1]=4 1143 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,0]=3 1144 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,1,0,1,0,0|2,0,0]=4 1145 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,1,0,1,0,0|1,0,1]=4 1146 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|1,0,0]=3 1148 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|0,0,1]=3 1149 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,1,0,1,0,0|0,0,2]=4 1150 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,1,0,1,0,0|0,0,2]=4 1151 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|0,0,0]=2 1152 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|0,0,0]=2 1153 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|0,0,1]=3 1156 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,1,0,1,0,0|0,0,1]=3 1157 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|0,0,0]=2 1158 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|0,0,0]=2 1159 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,1,0,1,0,0|1,0,0]=3 1160 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,1,0,1,0,0|1,0,0]=3 1161 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|0,0,0]=2 1162 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|0,0,0]=2 1163 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|0,0,0]=2 1164 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,1,0,1,0,0|1,0,0]=3 1166 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,1,0,1,0,0|1,0,1]=4 1167 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|1,0,0]=3 1168 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,1,0,0|1,0,1]=4 1169 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,1,0,0|1,0,1]=4 1170 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,1,0,0|1,0,1]=4 1171 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|2,0,0]=4 1172 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,1,0,1,0,0|1,0,1]=4 1173 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,1,0,1,0,0|1,0,0]=3 1174 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,1,0,1,0,0|0,0,0]=2 1175 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,1]=4 1177 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|1,0,1]=4 1178 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|1,0,0]=3 1179 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|1,0,0]=3 1180 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|1,0,0]=3 1181 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|1,0,0]=3 1182 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|1,0,0]=3 1183 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|0,0,2]=4 1184 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,1,0,0|1,0,1]=4 1185 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|0,0,2]=4 1186 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [0,1,0,1,0,0|1,0,0]=3 1187 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|0,0,2]=4 1188 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|0,0,2]=4 1189 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,1,0,0|1,0,1]=4 1190 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|0,0,1]=3 1192 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,1]=4 1193 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,1]=4 1196 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 1198 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|1,0,0]=3 1199 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|0,0,0]=2 1200 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,1,0,1,0,0|1,1,0]=4 1201 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|0,0,0]=2 1203 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|0,0,0]=2 1204 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,0]=3 1205 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|0,1,0]=3 1206 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|0,0,0]=2 1207 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|0,0,1]=3 1208 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|0,0,1]=3 1209 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,1,0,0|0,0,2]=4 1210 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,0]=3 1213 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,0]=3 1214 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,0]=3 1215 B8R1.63 CNC1(CC1)C(=O)O CNP0252206.0 [0,1,0,1,0,0|0,0,0]=2 1216 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O CNP0249517.2 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.21 C[C@@H]1O[C@H]1P(=O)(O)O CNP0249517.5 [0,1,0,1,0,0|2,0,0]=4 1218 B8R1.21 C[C@H]1O[C@@H]1P(=O)(O)O CNP0249517.6 [0,1,0,1,0,0|2,0,0]=4 1219 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O CNP0249517.7 [0,1,0,1,0,0|2,0,0]=4 1220 B8R1.70 NC1(CC1)P(=O)(O)O CNP0499935.0 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,1,0,1,0,0|1,0,0]=3 1222 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,0,0,0,2|1,0,1]=4 1223 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,0,0,0,0,2|1,0,1]=4 1224 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,0,0,0,0,2|1,0,0]=3 1225 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,0,0,0,0,2|1,0,0]=3 1226 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,0,0,0,0,2|1,0,1]=4 1227 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,0,0,0,0,2|1,0,0]=3 1228 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,0,0,0,0,2|0,0,0]=2 1229 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,0,0,0,0,2|1,0,0]=3 1230 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,0,0,0,0,2|1,0,0]=3 1231 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,0,0,0,0,2|1,0,0]=3 1232 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,0,0,0,0,2|0,0,0]=2 1233 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,0,0,0,0,2|0,0,0]=2 1234 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,0,0,0,0,2|1,1,0]=4 1235 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,0,0,0,0,2|1,1,0]=4 1236 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,0,0,0,0,2|1,0,0]=3 1237 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,0,0,0,0,2|2,0,0]=4 1238 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,0,0,0,0,2|2,0,0]=4 1239 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,0,0,0,0,2|2,0,0]=4 1240 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,0,0,0,0,2|2,0,0]=4