0 B6R0.3 C=C(CC)C(=O)O 81925 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C[C@H](N)C(=O)O 33549 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 C=C[C@H](N)C(=O)O 33604 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 C=C[C@H](N)C(=O)O F31266 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.3 CC(O)C(N)CO D75101 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.3 CCC(N)C(C)O N14662 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CC[C@H](N)C(C)C 74049 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,0,0,0,0,0|1,1,1]=3 11 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,0,0,0,0,0|1,1,1]=3 12 B6R0.3 C[C@H](C#N)C(=O)O C77562 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 C[C@H](ON)C(=O)O AT14508 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.3 NC(=O)[C@@H](N)CO D75097 [0,0,0,0,0,0|1,1,0]=2 16 B6R0.3 NC(=O)[C@@H](N)CO D75099 [0,0,0,0,0,0|1,1,0]=2 17 B6R0.3 NC[C@H](F)C(=O)O 94840 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 NC[C@H](F)C(=O)O 94844 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 NC[C@H](F)C(=O)O 94847 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [0,0,0,0,0,0|1,1,0]=2 23 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [0,0,0,0,0,0|0,1,0]=1 24 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C[C@H](O)CCN D77181 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 C[C@H](O)CCN D77194 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|2,1,0]=4 32 B5R0.1 N#CCC(=O)Cl 79959 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 N=C(N)CCO AT21673 [1,0,0,0,0,0|2,1,0]=4 34 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 NCC[P@H](=O)O S12399 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.3 C#C[C@@H](N)CO F30984 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.3 CC[C@H](C)CO 88660 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 CC[C@H](N)C#N AT12684 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 CC[C@H](N)C#N AT12685 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.3 CC[C@H](N)C#N N14345 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 C[C@@H](CO)CBr C16753 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.3 NC[C@H](F)CO AT21904 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.3 O=C[C@@H](O)CO C15860 [1,0,0,0,0,0|1,1,0]=3 47 B5R0.3 O=C[C@@H](O)CO S10019 [1,0,0,0,0,0|1,1,0]=3 48 B5R0.3 OCC(F)CO AT19575 [1,0,0,0,0,0|1,1,1]=4 49 B5R0.5 C=C(C)C(=O)[O-] F14145 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.5 CC(=O)[C@H](C)N 91522 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.5 CC(C)C(=O)O A11457 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.5 CC(C)S(=O)[O-] AT25017 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.5 CC(C)[C@H](C)N A12293 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.5 CC(C)[S@](=O)[O-] C11403 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.5 CC(N)C(C)N AT12970 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.5 C[C@H](F)C(=O)O 36890 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.5 C[C@H](N)C(N)=O FD21067 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.5 C[C@H](O)C(=N)N F21307 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,0,0,0,0,0|0,0,0]=1 63 B5R0.5 [2H]C(=O)N(C)C D99052 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.5 [2H]N(C)C(C)=O D99692 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,1,0,0,0,0|0,1,0]=2 69 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.10 C=C(CC)C(=O)OC 82635 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [0,1,0,0,0,0|1,1,0]=3 73 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [0,1,0,0,0,0|1,1,1]=4 75 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [0,1,0,0,0,0|1,1,1]=4 76 B7R0.10 COC(=O)[C@@H](F)CN 94842 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.10 COC(=O)[C@@H](N)CO D87908 [0,1,0,0,0,0|0,1,0]=2 78 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.10 O=C[C@@H](O)[C@@H](O)CO T72661 [0,1,0,0,0,0|1,1,1]=4 81 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.13 C=C[C@](C)(O)C(=O)O AT23392 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.13 CC(C)(CCl)C(N)=O AT25939 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.13 O=C(Cl)[C@@](F)(Cl)CCl AT22449 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.13 O=C(O)C(F)(F)CO AT12476 [0,1,0,0,0,0|1,1,0]=3 88 B7R0.13 [2H]C([2H])(CC)C(=O)Cl D99427 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.13 [2H]C([2H])(CC)C(=O)O D98810 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.14 CC(C)(O)[C@@H](N)CF C92624 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.14 CC(C)(O)[C@@H](N)CF C92628 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.15 CCC(CC)C(N)=O AC2944 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.15 COC(OC)C(=O)O AT19758 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [0,1,0,0,0,0|0,1,0]=2 96 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,1,0,0|2,1,0]=4 101 B7R1.4 NC1COCC1O F19779 [0,0,0,1,0,0|1,1,1]=4 102 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,0,0,1,0,0|1,1,1]=4 104 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,0,0,1,0,0|1,1,1]=4 105 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,0,0,1,0,0|1,1,1]=4 107 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.18 NC(=O)C1CNC1 E73179 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.18 NC(=O)C1COC1 D86258 [0,0,0,1,0,0|2,1,0]=4 111 B7R1.19 CC(=O)C1(F)CC1 W10354 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.19 O=C(O)C1(Cl)CC1 96431 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.19 [2H]C1(C(=O)O)CC1 D99317 [0,0,0,1,0,0|2,0,0]=3 114 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,0,0,0,0,1|2,1,0]=4 115 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,0,0,0,0,1|2,0,1]=4 116 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,0,0,0,0,1|3,0,0]=4 117 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,0,0,0,0,1|0,1,0]=2 118 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,0,0,0,0,1|0,1,0]=2 119 B4R0.1 C=C(Br)CN 94099 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 C=C(Br)CN AC8267 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|0,0,0]=2 123 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 C[C@H](S)CO AC8877 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 C[C@H](S)CS T72965 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|0,0,0]=2 130 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.2 C=CCCI C77576 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 C=CCCN AT25938 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.2 NCCNO AT14839 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.1 C=CCC(=O)NO C91025 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.1 CCNC(=O)OC C16084 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.1 O=C(CCCl)NO AC8818 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.4 CC#CCC(=O)O AT21835 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|1,1,0]=4 145 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 NOCCC(=O)O AT14539 [1,1,0,0,0,0|0,1,0]=3 148 B6R0.4 O=C(Cl)OCCF AT25498 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.8 CC[C@](C)(N)CO D75057 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.8 [2H]C([2H])(C=O)CC D98579 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.9 CC[C@H](C#N)C=O 81909 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.7 CC(=O)C(C)(F)F AT12473 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.7 C[C@@H](N)P(=O)(O)O T71158 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.7 C[C@H](N)C(C)(C)O 86324 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.7 C[C@H](N)C(C)(C)O 86840 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.7 C[C@H](N)C(C)(C)O AC8680 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.7 C[C@H](O)C(C)(C)N AC8763 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.7 O=C(O)C(F)(F)F C93529 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.7 [2H]C([2H])(N)C(=O)O D98796 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.7 [2H]C([2H])(O)C(=O)O D98859 [1,1,0,0,0,0|1,1,0]=4 163 B6R0.7 [2H]C([2H])([2H])C(=O)O D99177 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,0,0,0,1|2,0,0]=4 166 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [0,1,0,0,0,1|1,0,0]=3 168 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,1,0,0,0,1|1,0,0]=3 169 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,1,0,0,0,1|1,0,0]=3 170 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,0,0,0,1|1,0,0]=3 171 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,0,0,0,1|2,0,0]=4 172 B8R0.19 COC(=O)\C=C(/N)CF AC7444 [0,1,0,0,0,1|1,0,1]=4 173 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,0,0,0,1|0,1,0]=3 174 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21180 [0,1,0,0,0,1|0,1,1]=4 175 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] C15723 [0,1,0,0,0,1|0,1,1]=4 176 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,1,0,0,0,1|0,1,1]=4 177 B8R0.34 [2H]C([2H])(CC)CC(=O)O D98646 [0,1,0,0,0,1|2,0,0]=4 178 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [0,2,0,0,0,0|1,0,0]=3 179 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [0,2,0,0,0,0|1,0,0]=3 180 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [0,2,0,0,0,0|1,0,0]=3 182 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,2,0,0,0,0|1,0,0]=3 183 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,2,0,0,0,0|1,1,0]=4 185 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,2,0,0,0,0|1,1,0]=4 186 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,2,0,0,0,0|1,0,0]=3 188 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,2,0,0,0,0|1,0,0]=3 189 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,2,0,0,0,0|0,1,0]=3 191 B8R0.12 C=CC[C@](C)(N)C(=O)O F12085 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.12 CC(C)(CCF)C(=O)O AT15946 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.12 CC(C)(CCN)C(=O)O 30051 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.12 CC(C)(CCN)C(=O)O 74008 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.12 CCNC(C)(C)C(=O)O AT23404 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.12 CNCC(F)(F)C(=O)O F53123 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.12 CNCC(F)(F)C(=O)O F53124 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.12 COCC(F)(F)C(=O)O AT25474 [0,2,0,0,0,0|1,1,0]=4 202 B8R0.12 COC[C@](C)(N)C(=O)O AT12803 [0,2,0,0,0,0|0,1,0]=3 203 B8R0.12 CSCC(C)(C)C(=O)O W18315 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [0,2,0,0,0,0|2,0,0]=4 205 B8R0.12 [2H]C([2H])(CCN)C(=O)O D98120 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,2,0,0,0,0|1,0,0]=3 207 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,2,0,0,0,0|1,0,0]=3 208 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,2,0,0,0,0|0,1,0]=3 211 B8R0.13 COC(=O)C(F)(F)CBr AT22612 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.13 COC(=O)[C@@](C)(N)CO AT18244 [0,2,0,0,0,0|0,1,0]=3 213 B8R0.36 CC(CF)(CF)C(=O)O F31276 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [0,2,0,0,0,0|1,0,0]=3 215 B8R0.37 CC(C)[C@](C)(N)C(N)=O C16660 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.37 O=C(O)C(F)(F)C(F)F AC9459 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [0,2,0,0,0,0|1,0,0]=3 219 B8R0.27 N[C@H](C(=O)O)C(F)(F)F W17058 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F D86392 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F D86393 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.27 [2H]C([2H])([2H])[C@H](Br)C(=O)O D98790 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.27 [2H]C([2H])([2H])[C@H](C)C(=O)O D98061 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.27 [2H]C([2H])([2H])[C@H](N)C(=O)O AT11444 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.27 [2H]C([2H])([2H])[C@H](N)C(=O)O D98032 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.27 [2H]C([2H])([2H])[C@H](N)C(=O)O D98816 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,2,0,0,0,0|2,0,0]=4 230 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|1,1,0]=4 231 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [1,0,0,1,0,0|0,1,0]=3 234 B6R1.4 CC1OCC1N P20429 [1,0,0,1,0,0|1,0,1]=4 235 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,0,0,1,0,1|2,0,0]=4 237 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,0,0,1,0,1|2,0,0]=4 238 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,1,0,1|1,1,0]=4 239 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,0,1,0,1|2,0,0]=4 240 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,0,1,0,1|1,1,0]=4 241 B8R1.34 O=C(O)CC1CNC1 A50755 [0,0,0,1,0,1|2,0,0]=4 242 B8R1.34 O=C(O)CC1CNC1 P10897 [0,0,0,1,0,1|2,0,0]=4 243 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,0,1,0,1|2,0,0]=4 244 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.30 C=C1C[C@]1(N)C(=O)O C12297 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.78 CC1(C(=O)O)CNC1 A50764 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.78 NC(=O)C1(N)CNC1 P13008 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.78 NC1(C(=O)O)COC1 AT13394 [0,1,0,1,0,0|0,1,0]=3 260 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.63 C=CC1(C(=O)O)CC1 AT12374 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.63 NCC1(C(=O)O)CC1 AT13932 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.63 NCC1(C(=O)O)CC1 C14697 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.77 O=C(O)C1CC1(F)Br F50745 [0,1,0,1,0,0|2,0,0]=4