0 B6R0.3 C/C=C(/C)C(O)=O T3328 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.3 C/C=C(\C)C(O)=O T5542 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.3 CC(=O)C(/C)=N/O T2176 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(CN)C(O)=O T4887 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CC(CO)C(O)=O T19619 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 CC(CO)C([O-])=O T29401 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.3 CCC(=O)C(O)=O T5060 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 CCC(N)C(O)=O TN6936 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 CCC(O)C([O-])=O T4738 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 CC[C@@H](N)C(O)=O T19302 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.3 CC[C@H](N)C(O)=O T5306 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CN(N=O)C(N)=O T4169 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.3 C[C@@H](CN)C(O)=O T7357 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 C[C@@H](CN)C(O)=O T7401 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 NC(CO)C(O)=O T8363 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 NC(CS)C(=O)O T8141 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.3 NCC(N)C(O)=O T4755 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.3 NC[C@H](N)C(O)=O T5978 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 NC[C@H](N)C(O)=O T7335 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 N[C@@H](CCl)C(O)=O T6987 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 N[C@@H](CO)C(O)=O T2O2730 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 N[C@@H](CO)[13C](O)=O T32902 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 N[C@@H](CS)C(O)=O T1547L [0,0,0,0,0,0|2,0,0]=2 23 B6R0.3 N[C@@H](CS)C(O)=O T2O2721 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 N[C@@H](CS)C(O)=O TN5283 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 N[C@@H](C[SeH])C(O)=O T9427 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 N[C@H](CO)C(O)=O T8394 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 N[C@H](CS)C(O)=O T10933 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.3 O=C(O)[C@H](C)CO T19617 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 OC(=O)C(=O)CBr T5882 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 OCC(=O)C(O)=O T19365 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.3 OCC(O)C(O)=O T19289 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 C/C=C/C(O)=O T5301 [1,0,0,0,0,0|0,0,2]=3 33 B5R0.1 CCCC([O-])=O T1393 [1,0,0,0,0,0|0,0,1]=2 34 B5R0.1 CCOC(N)=O T0051 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CCSC(N)=N T22761 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CNCC(O)=O T6975 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 C[C@@H](CCO)O T9257 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C[C@@H](O)CCO T19538 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 NC(=O)CC#N T20453 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 NCCC(O)=O T0627 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 NCCP(O)=O TN2749 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 NCCS(O)=O T5225 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 NOCC(O)=O T29033 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 NOCC(O)=O T5880 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.3 CC(CCl)CCl T31230 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.3 CCC(C)C=O T5090 [1,0,0,0,0,0|0,0,0]=1 47 B5R0.3 CCC(O)C=C TN6958 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.3 OCC(O)C=O T4918 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.3 OCC(O)CO T4776 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 OCC(S)CS T0781 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.5 CC(=C)C(N)=O TN7113 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.5 CC(=O)C(O)=O T4804 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.5 CC(=O)C([O-])=O T7717 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.5 CC(O)C(C)O T19094 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.5 CC(O)C(O)=O TN6945 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.5 CC(O)C([O-])=O T20574 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.5 CC(O)C([O-])=O T32809 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.5 CC(O)C([O-])=O T5220 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.5 CN(C)C(C)=O T19439 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.5 C[C@@H](N)C(O)=O T4811 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.5 C[C@@H](O)C(O)=O T10943 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.5 C[C@H](N)C(O)=O TJO2729 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.5 C[C@H](N)C(O)=O TN1003 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.5 C[C@H](O)C(O)=O T4845 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.5 C[C@H](O)C([O-])=O T4103 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 O=C(O)[C@H](C)N T34103 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.5 OC(=O)C(Cl)Br T9288 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.5 OC(=O)C(O)=O T2O2680 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.5 OC(=O)C(O)=O T5064 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.5 [O-]C(=O)C(Cl)Cl T3604 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.5 C#CCC(C(=O)O)N T20129 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.5 CC(CC=C)C(O)=O T8058 [0,1,0,0,0,0|0,0,1]=2 74 B7R0.5 CC/C=C(\C)C(O)=O T8052 [0,1,0,0,0,0|0,0,1]=2 75 B7R0.5 CCCC(=O)C(O)=O T13484 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.5 CCCC(C)C(O)=O T5685 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.5 CCCC(N)C(O)=O T11054 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.5 CCC[C@H](N)C(O)=O T4788 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.5 CCOC(=O)C(C)=O T8030 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.5 CNCC(N)C([O-])=O T33346 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.5 CSC[C@H](N)C(O)=O T8072 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 NC(CC=C)C(O)=O T25052 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.5 NC(CCS)C(O)=O T4863 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.5 NCC[C@H](N)C(O)=O T7595 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.10 CCC(O)C(=O)CC T20376 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.10 NNC(=O)[C@@H](N)CS T31156 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.10 OC[C@@H](O)[C@@H](O)C=O T19828 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.10 OC[C@H](O)[C@H](O)C=O T20229 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.10 [Li]OC(=O)C(=O)CO T19364 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.13 CC(Br)(CO)[N+]([O-])=O T31273 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.13 CCC(C)(O)C(O)=O T5550 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.13 CC[C@@](C)(N)C(O)=O T20589 [0,1,0,0,0,0|0,0,0]=1 101 B7R0.13 OC(=O)C(Cl)(Cl)CCl T30898 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.13 [2H][C@@](N)(CF)C(O)=O T31813 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.15 CCC(CC)C(O)=O T8027 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.15 CCN(CC)C([S-])=S T5965 [0,1,0,0,0,0|1,2,0]=4 105 B7R0.15 CCN(CC)C([S-])=S T8422 [0,1,0,0,0,0|1,2,0]=4 106 B7R0.16 CC(C(O)=O)C(O)=O T4817 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.16 CC(C)C(=O)C(O)=O T5232 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.16 CC(C)C(O)C(O)=O T5273 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [0,1,0,0,0,0|1,0,0]=2 114 B7R0.16 NC(C(C)C)C(O)=O T9294 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.16 NC(C(O)=O)C(O)=O T5244 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [0,1,0,0,0,0|1,0,0]=2 118 B7R1.4 C=C1CCOC1=O T5320 [0,0,0,1,0,0|0,0,2]=3 119 B7R1.4 CC1OCCC1=O T8050 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.4 CN1CCCC1=O T5851 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 NC1CCSC1=O T5968 [0,0,0,1,0,0|1,1,0]=3 122 B7R1.4 N[C@@H]1CONC1=O T1589 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 N[C@H]1CCSC1=O T19393 [0,0,0,1,0,0|1,1,0]=3 124 B7R1.4 [C@H]1(N)CONC1=O T0710 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.18 OC(=O)C1CCN1 T8100 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.19 NC1(CC1)C(O)=O T4752 [0,0,0,1,0,0|1,0,0]=2 128 B7R0.2 CCC(C)CC(O)=O T19122 [0,0,0,0,0,1|0,0,0]=1 129 B7R0.2 CCC(O)CC(O)=O T19121 [0,0,0,0,0,1|1,0,0]=2 130 B7R0.2 NCC(O)CC(O)=O T0028 [0,0,0,0,0,1|2,0,0]=3 131 B7R0.2 NC[C@@H](F)CP(O)=O T15737 [0,0,0,0,0,1|3,0,0]=4 132 B7R0.2 NC[C@@H](O)CC(O)=O T21409 [0,0,0,0,0,1|2,0,0]=3 133 B7R0.2 OC[C@@H](O)CC(O)=O T13978 [0,0,0,0,0,1|2,0,0]=3 134 B4R0.1 CC(=O)C=O T19536 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(N)C=O T29820 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.1 CC(N)CO T27792 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 COC(N)=O T2151 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 C[C@H](O)CO T12810 [2,0,0,0,0,0|1,0,0]=3 139 B4R0.1 NC(=O)CI T8897 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 NCC(N)=O T3127 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 NCC(O)=O T2O2728 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.1 NCC([O-])=O T4505 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 NCC([O-])=O T4512 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 OC(=O)C=O T16356 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 OC(=O)C=O T4843 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 OCC(O)=O T5985 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.1 [O-]C(=O)CS T8530 [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 [O-]CC([O-])=O T2410 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 CNCCO TN2779 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.2 CSCC=C T5579 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.2 OCCCO T40585 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.1 COC(=O)CCN T8097 [1,1,0,0,0,0|1,0,0]=3 153 B6R0.2 CC(=O)CC([O-])=O T13528 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.2 CC(=O)CC([O-])=O T4854 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.2 CC(C)=CC(O)=O T5305 [1,1,0,0,0,0|0,0,2]=4 156 B6R0.2 CC(C)CC(N)=O T0361 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.2 CC(C)CC(O)=O T5609 [1,1,0,0,0,0|0,0,0]=2 158 B6R0.2 CC(CC(O)=O)N TN6756 [1,1,0,0,0,0|0,0,0]=2 159 B6R0.2 CC(O)CC(O)=O T4947 [1,1,0,0,0,0|0,0,0]=2 160 B6R0.2 CN(C)CC(O)=O T4120 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.2 C[C@@H](O)CC(O)=O T5248 [1,1,0,0,0,0|0,0,0]=2 162 B6R0.2 C[C@H](O)CC(O)=O T13979 [1,1,0,0,0,0|0,0,0]=2 163 B6R0.2 OC(=O)CC(O)=O T5291 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.4 CCOCC(O)=O T37501 [1,1,0,0,0,0|0,0,0]=2 165 B6R0.4 COCCC(O)=O T20899 [1,1,0,0,0,0|0,0,0]=2 166 B6R0.4 CSCCC(O)=O T5285 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.4 NC/C=C/C(O)=O T23414 [1,1,0,0,0,0|0,0,2]=4 168 B6R0.4 NCCCC(O)=O T0508 [1,1,0,0,0,0|0,0,0]=2 169 B6R0.4 OC(=O)CCC#C T0580 [1,1,0,0,0,0|0,0,1]=3 170 B6R0.4 OC(=O)CCC=C T8032 [1,1,0,0,0,0|0,0,1]=3 171 B6R0.4 OC(=O)CNC=O T4741 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.4 OC/C=C/C(O)=O T23473 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.4 [O-]C(=O)CCC#C T13893 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.5 NCCP(O)(O)=O T4703 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.5 NCCS(O)(=O)=O T0022 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.5 OCCS(O)(=O)=O T20854 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.9 CCN(CC)C=O T20367 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.9 CCN(CC)N=O T35455 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.7 CC(C)(N)C(O)=O T4831 [1,1,0,0,0,0|0,0,0]=2 180 B6R0.7 CC(C)(O)C(O)=O T4787 [1,1,0,0,0,0|0,0,0]=2 181 B6R0.7 CC(Cl)(Cl)C(O)=O T31194 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.7 OC(C(F)(F)F)=O T13112L [1,1,0,0,0,0|2,0,0]=4 183 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,1,0,0,0,1|0,0,0]=2 184 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [0,1,0,0,0,1|0,0,0]=2 185 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,1,0,0,0,1|0,0,0]=2 186 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,1,0,0,0,1|0,0,0]=2 187 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [0,1,0,0,0,1|0,0,0]=2 188 B8R0.5 CCCC(C)OC(N)=O T32052 [0,1,0,0,0,1|1,0,0]=3 189 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,1,0,0,0,1|1,0,1]=4 190 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,1,0,0,0,1|1,0,0]=3 191 B8R0.23 CC(C)C(N)CC(O)=O T5569 [0,1,0,0,0,1|1,0,0]=3 192 B8R0.23 CC(CC(O)=O)C(O)=O T5231 [0,1,0,0,0,1|1,0,1]=4 193 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [0,2,0,0,0,0|1,0,0]=3 194 B8R0.8 CCCCC(C)C(O)=O T8080 [0,2,0,0,0,0|0,0,0]=2 195 B8R0.8 CCCCC(O)C(O)=O T5224 [0,2,0,0,0,0|1,0,0]=3 196 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.8 COCCC(N)C(O)=O T33328 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.8 CSCCC(N)C(O)=O TJO2742 [0,2,0,0,0,0|1,0,0]=3 199 B8R0.8 CSCCC(O)C(O)=O T20705 [0,2,0,0,0,0|1,0,0]=3 200 B8R0.8 CSCCC(O)C([O-])=O T5082 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [0,2,0,0,0,0|1,0,0]=3 206 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [0,2,0,0,0,0|1,0,0]=3 207 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [0,2,0,0,0,0|1,0,0]=3 208 B8R0.8 NOCC[C@H](N)C(O)=O T11802 [0,2,0,0,0,0|1,0,0]=3 209 B8R0.8 N[C@@H](CCC#C)C(O)=O T15694 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.37 CC(C)(C(O)=O)C(O)=O T19284 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.27 CC(C)(O)C(O)C(O)=O T50050 [0,2,0,0,0,0|1,0,0]=3 212 B8R0.27 CC(C)(S)C(N)C(O)=O T0983L [0,2,0,0,0,0|1,0,0]=3 213 B8R0.27 CC(C)(S)[C@@H](N)C(O)=O T0983 [0,2,0,0,0,0|1,0,0]=3 214 B8R0.27 CC(C)(S)[C@H](N)C(O)=O T20118 [0,2,0,0,0,0|1,0,0]=3 215 B8R0.27 C[C@@H](C([O-])=O)[N+](C)(C)C T34947 [0,2,0,0,0,0|1,0,1]=4 216 B8R0.18 CCC(C(O)=O)C(O)=O T5279 [0,2,0,0,0,0|0,0,1]=3 217 B6R1.2 N=C1CCCS1 T19958 [1,0,0,1,0,0|1,1,0]=4 218 B6R1.2 O=C1CCSC1 T37630 [1,0,0,1,0,0|2,0,0]=4 219 B6R1.2 O=C1NCCN1 T0630 [1,0,0,1,0,0|2,0,0]=4 220 B6R1.11 NC(=O)C1CO1 T31954 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.1 CCC1CCC(=O)O1 T8098 [0,0,0,1,0,1|1,0,0]=3 222 B8R1.1 COC1CCC(=O)N1 TN4855 [0,0,0,1,0,1|2,0,0]=4 223 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,0,0,1,0,1|2,0,0]=4 224 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,1,0,1|1,0,1]=4 225 B8R1.4 CC1CCN=C(N)C1 T21700 [0,0,0,1,0,1|2,0,0]=4 226 B8R1.4 CC1CCOC(C)O1 T21290 [0,0,0,1,0,1|1,0,1]=4 227 B8R1.4 C[C@@H]1CCN=C(N)S1 T22569 [0,0,0,1,0,1|2,0,0]=4 228 B8R1.5 CC1CCCCC1=O T36789 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.5 NC1CCCNC1=O T13495 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.7 OC(=O)C1CSCN1 T0221 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.7 OC(=O)C1CSSC1 T10388 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,1,0,1,0,0|0,0,0]=2 236 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,1,0,1,0,0|0,0,0]=2 237 B8R1.78 NC1(CCC1)C(O)=O T22542 [0,1,0,1,0,0|0,0,0]=2 238 B8R1.50 N[C@@H]1CCN(O)C1=O T12637 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.63 COC1(CC1)C(O)=O T9437 [0,1,0,1,0,0|0,0,0]=2 241 B8R1.21 C[C@@H]1O[C@@H]1P(O)(O)=O T20706 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.21 C[C@@H]1O[C@@H]1P(O)(O)=O T4989 [0,1,0,1,0,0|2,0,0]=4 243 B8R0.9 COC(C)COC(C)=O T20988 [0,0,0,0,0,2|2,0,0]=4