0 B7R0.6 C(#CC(=O)O)C(=O)O A18736 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C(=C/C(=O)O)/C(=O)O A14596 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 C(=C\C(=O)Cl)/C(=O)Cl A14540 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 C(=C\C(=O)N)/C(=O)N B25200 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C(=C\C(=O)O)/C(=O)O A10976 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 C(=C\C(=O)O)/C(=O)O B25440 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 C(=C\C(=O)[O-])/C(=O)O B24683 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] A11276 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] B23956 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 C(C(=O)O)NC(=N)N L16281 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 C(CC(=O)Cl)C(=O)Cl A18389 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 C(CC(=O)N)C(=O)N A12135 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 C(CC(=O)O)C(=O)N L06539 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 C(CC(=O)O)C(=O)O 33272 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 C(CC(=O)O)C(=O)O A12084 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.6 C(CC(=O)[O-])C(=O)[O-] 33386 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 C(CC(=O)[O-])C(=O)[O-] 41983 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 CC(=C)CCC(=C)C B21781 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 CC(=CC=C(C)C)C B21635 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 CC(=NNC(=O)N)C A12436 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.6 CC(=O)CCC(=O)C B25686 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.6 CC(=O)CCC(=O)O A10813 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.6 CC(=O)COC(=O)C H31346 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.6 CC(=O)NCC(=O)N B24940 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.6 CC(=O)NCC(=O)O B21887 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.6 CC(=O)NNC(=O)C A13393 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.6 CC(=O)OCC(=O)Cl H25797 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [0,0,0,0,0,0|1,0,1]=2 28 B7R0.6 CC(C)CCC(=O)C L17584 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.6 CC(C)CCC(=O)O A15405 [0,0,0,0,0,0|0,0,2]=2 30 B7R0.6 CC(C)COC(=O)C A14892 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.6 CC(C)COC(=O)Cl A14692 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.6 CC(C)\C=C\C(=O)O B22639 [0,0,0,0,0,0|0,0,2]=2 33 B7R0.6 CN(C)\C=C\[N+](=O)[O-] A11637 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.4 C#CCCC(=O)O L09282 [1,0,0,0,0,0|0,0,3]=4 35 B6R0.4 C(C(=O)O)NC=O H31053 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 C(CC(=O)O)CBr A12870 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.4 C(CC(=O)O)CN A11016 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 C=CCCC(=O)O A13991 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.4 CC(=CCCBr)C L19406 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CC(=O)CCC=C B22505 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.4 CC(=O)CCSC B22206 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 CC(=O)NCCO A18638 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CC(=O)OCC=C 41353 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CC(=O)\C=C\OC A11235 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(C)CCC=C B20719 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 CC(C)OCCO L13241 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.4 CC(C)SCCO L05312 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.4 CCC#CC(=O)O H53411 [1,0,0,0,0,0|0,0,3]=4 49 B6R0.4 CCCCC(=O)C A14867 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.4 CCCCC(=O)Cl B22637 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.4 CCCCC(=O)N L14601 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.4 CCCCC(=O)O A16238 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.4 CCCC[Sn](=O)O A18290 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 CCOCC(=O)Cl H34443 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 CCOCC(=O)O B24194 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 CCSCC(=O)C L04142 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.4 CCSCC(=O)O L04743 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.4 CC\C=C\C(=O)O A12689 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.4 CN(C)CCCO A12800 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.4 CSCCC(=O)O L12861 [1,0,0,0,0,0|1,0,1]=3 61 B8R0.9 C(C(=O)NCC(=O)O)N A10523 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.9 C(C(=O)O)NC(=O)CCl L07651 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.9 C(CC(=O)O)C(=O)CN A16942 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.9 CC(=O)CCC(=O)OC 43397 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.9 CC(C)\C=C\C(=O)OC L20191 [0,1,0,0,0,0|0,0,2]=3 66 B8R0.9 CNC(=O)\C=C/C(=O)O L00614 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.9 COC(=O)CCC(=O)O H59722 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.23 C(C(=O)C(=O)O)C(=O)O 15789 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.23 C(C(=O)C(=O)O)C(=O)O A12739 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.23 C(C(C(=O)O)Br)C(=O)O B22829 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.23 C(C(C(=O)O)N)C(=O)N B20273 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.23 C(C(C(=O)O)N)C(=O)O A13646 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.23 C(C(C(=O)O)O)C(=O)O A17874 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.23 C(C(C(=O)O)O)C(=O)[O-] A19428 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.23 C(C(C(=O)O)S)C(=O)O B23301 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N A15012 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N B21473 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 43317 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O A13520 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O A13702 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O B22321 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.23 C([C@H](C(=O)O)N)C(=O)N B24556 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.23 C([C@H](C(=O)O)N)C(=O)O B21184 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.23 C([C@H](C(=O)O)O)C(=O)O A11688 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.23 C=C(CC(=O)O)C(=O)O A15566 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.23 C=C(CC(=O)[O-])C(=O)[O-] 46998 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.23 CC(=O)NC(=C)C(=O)O L01649 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.23 CC(C(=O)C)OC(=O)C L06927 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.23 CC(C(=O)O)NC(=O)C L10329 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.23 CC(C)CC(=O)C(=O)O H60076 [0,1,0,0,0,0|0,0,3]=4 91 B8R0.23 CC(C)CC(C(=O)O)N A10590 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.23 CC(C)CC(C(=O)O)O H60459 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.23 CC(C)C[C@@H](C(=O)N)N B22914 [0,1,0,0,0,0|1,0,2]=4 94 B8R0.23 CC(C)C[C@@H](C(=O)O)N A12311 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.23 CC(C)C[C@H](C(=O)O)N A14842 [0,1,0,0,0,0|0,0,2]=3 96 B8R0.23 CC(C)\C=C(/C)\C(=O)O B22701 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.23 CC(CC(=O)O)C(=O)O H60967 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.23 CN(CC(=O)O)C(=N)N A17477 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.23 CN(CC(=O)O)C(=N)N B25009 [0,1,0,0,0,0|3,0,0]=4 100 B8R0.23 C[C@@H](C(=O)O)NC(=O)C L11811 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.23 C[C@H](C(=O)O)NC(=O)C H63450 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.23 C\C(=C\C(=O)O)\C(=O)O L04178 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.29 CC(C)(C)NCC(=O)O H64270 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.29 CC(C)(C)OCC(=O)O H35600 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.29 C[Si](C)(C)C#CC(=O)O H53380 [0,1,0,0,0,0|0,1,2]=4 106 B8R1.3 C1C(=O)OCC(=O)O1 B20096 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.3 C1CC(=O)CCC1=O A11100 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.3 CC1=NNC(=O)CC1 B24520 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.3 CC1CCC(=O)CC1 A13186 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.3 CN1CCC(=O)CC1 A13352 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.3 Cc1ccc(cc1)O A13531 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.3 Cc1ccc(cn1)O B25014 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.3 Cc1ccc(nc1)O L19528 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.23 C1C(CC1=O)C(=O)O H64774 [0,0,0,1,0,0|1,0,1]=3 116 B6R0.2 B(CC(C)C)(O)O H27698 [0,0,0,0,1,0|1,0,2]=4 117 B6R0.2 C(C(=N)N)C(=O)N B25569 [0,0,0,0,1,0|3,0,0]=4 118 B6R0.2 C(C(=O)Cl)C(=O)Cl H59868 [0,0,0,0,1,0|3,0,0]=4 119 B6R0.2 C(C(=O)N)C(=O)N A17939 [0,0,0,0,1,0|3,0,0]=4 120 B6R0.2 C(C(=O)O)C(=O)O 31715 [0,0,0,0,1,0|2,0,0]=3 121 B6R0.2 C(C(=O)O)C(=O)O A11526 [0,0,0,0,1,0|2,0,0]=3 122 B6R0.2 C(C(=O)[O-])C(=O)[O-] 44841 [0,0,0,0,1,0|2,0,1]=4 123 B6R0.2 CC(=C)OC(=O)C A15618 [0,0,0,0,1,0|2,0,1]=4 124 B6R0.2 CC(=CC(=C)C)C H35300 [0,0,0,0,1,0|2,0,0]=3 125 B6R0.2 CC(=CC(=O)C)C A15111 [0,0,0,0,1,0|1,0,0]=2 126 B6R0.2 CC(=CC(=O)O)C A16865 [0,0,0,0,1,0|0,0,0]=1 127 B6R0.2 CC(=O)CC(=O)C A14117 [0,0,0,0,1,0|2,0,0]=3 128 B6R0.2 CC(=O)NC(=O)N L08343 [0,0,0,0,1,0|3,0,0]=4 129 B6R0.2 CC(=O)OC(=O)C 36292 [0,0,0,0,1,0|3,0,0]=4 130 B6R0.2 CC(=O)OC(=O)C L04295 [0,0,0,0,1,0|3,0,0]=4 131 B6R0.2 CC(=O)[CH-]C(=O)C 30529 [0,0,0,0,1,0|2,0,1]=4 132 B6R0.2 CC(C)CC(=C)C B20002 [0,0,0,0,1,0|2,0,1]=4 133 B6R0.2 CC(C)CC(=O)C 33346 [0,0,0,0,1,0|1,0,1]=3 134 B6R0.2 CC(C)CC(=O)C 43170 [0,0,0,0,1,0|1,0,1]=3 135 B6R0.2 CC(C)CC(=O)C A11618 [0,0,0,0,1,0|1,0,1]=3 136 B6R0.2 CC(C)CC(=O)Cl B24002 [0,0,0,0,1,0|1,0,1]=3 137 B6R0.2 CC(C)CC(=O)N L09072 [0,0,0,0,1,0|1,0,1]=3 138 B6R0.2 CC(C)CC(=O)O A18642 [0,0,0,0,1,0|0,0,1]=2 139 B6R0.2 CC(C)CC(C)O A13435 [0,0,0,0,1,0|1,0,2]=4 140 B6R0.2 CC(C)OC(=O)C L09337 [0,0,0,0,1,0|2,0,1]=4 141 B6R0.2 CC(CC(=O)C)[O-] 12542 [0,0,0,0,1,0|2,0,1]=4 142 B6R0.2 CC(CC(=O)C)[O-] 44538 [0,0,0,0,1,0|2,0,1]=4 143 B6R0.2 CC(CC(=O)O)Br B25684 [0,0,0,0,1,0|1,0,1]=3 144 B6R0.2 CC(CC(=O)O)O 43354 [0,0,0,0,1,0|1,0,1]=3 145 B6R0.2 CC(CC(=O)O)O H30426 [0,0,0,0,1,0|1,0,1]=3 146 B6R0.2 CC(CC(=O)[O-])O A11613 [0,0,0,0,1,0|1,0,2]=4 147 B6R0.2 CC(CN(C)C)O B24234 [0,0,0,0,1,0|2,0,1]=4 148 B6R0.2 CC([O-])CC(=O)C 46727 [0,0,0,0,1,0|2,0,1]=4 149 B6R0.2 CN(C)CC(=O)Cl L18475 [0,0,0,0,1,0|2,0,0]=3 150 B6R0.2 CN(C)CC(=O)O A18892 [0,0,0,0,1,0|1,0,0]=2 151 B6R0.2 CN(C)CC(=O)O A19670 [0,0,0,0,1,0|1,0,0]=2 152 B6R0.2 C[C@@H](CC(C)C)O L18882 [0,0,0,0,1,0|1,0,2]=4 153 B6R0.2 C[C@H](CC(C)C)O L18881 [0,0,0,0,1,0|1,0,2]=4 154 B6R0.2 C\C(=C/C(=O)C)\[O-] H55532 [0,0,0,0,1,0|2,0,0]=3 155 B6R0.2 C\C(=C\C(=O)C)\N L08379 [0,0,0,0,1,0|2,0,0]=3 156 B6R0.2 C\C(=C\C(=O)C)\[O-] 10514 [0,0,0,0,1,0|2,0,0]=3 157 B6R0.2 C\C(=C\C(=O)C)\[O-] 10517 [0,0,0,0,1,0|2,0,0]=3 158 B6R0.2 C\C(=C\C(=O)C)\[O-] 10526 [0,0,0,0,1,0|2,0,0]=3 159 B6R0.2 C\C(=C\C(=O)C)\[O-] 10568 [0,0,0,0,1,0|2,0,0]=3 160 B6R0.2 C\C(=C\C(=O)C)\[O-] 12527 [0,0,0,0,1,0|2,0,0]=3 161 B6R0.2 C\C(=C\C(=O)C)\[O-] 12530 [0,0,0,0,1,0|2,0,0]=3 162 B6R0.2 C\C(=C\C(=O)C)\[O-] 12532 [0,0,0,0,1,0|2,0,0]=3 163 B6R0.2 C\C(=C\C(=O)C)\[O-] 12534 [0,0,0,0,1,0|2,0,0]=3 164 B6R0.2 C\C(=C\C(=O)C)\[O-] 12535 [0,0,0,0,1,0|2,0,0]=3 165 B6R0.2 C\C(=C\C(=O)C)\[O-] 12536 [0,0,0,0,1,0|2,0,0]=3 166 B6R0.2 C\C(=C\C(=O)C)\[O-] 12537 [0,0,0,0,1,0|2,0,0]=3 167 B6R0.2 C\C(=C\C(=O)C)\[O-] 12538 [0,0,0,0,1,0|2,0,0]=3 168 B6R0.2 C\C(=C\C(=O)C)\[O-] 13794 [0,0,0,0,1,0|2,0,0]=3 169 B6R0.2 C\C(=C\C(=O)C)\[O-] 14065 [0,0,0,0,1,0|2,0,0]=3 170 B6R0.2 C\C(=C\C(=O)C)\[O-] 14614 [0,0,0,0,1,0|2,0,0]=3 171 B6R0.2 C\C(=C\C(=O)C)\[O-] 18811 [0,0,0,0,1,0|2,0,0]=3 172 B6R0.2 C\C(=C\C(=O)C)\[O-] 22940 [0,0,0,0,1,0|2,0,0]=3 173 B6R0.2 C\C(=C\C(=O)C)\[O-] 30526 [0,0,0,0,1,0|2,0,0]=3 174 B6R0.2 C\C(=C\C(=O)C)\[O-] 30532 [0,0,0,0,1,0|2,0,0]=3 175 B6R0.2 C\C(=C\C(=O)C)\[O-] 39288 [0,0,0,0,1,0|2,0,0]=3 176 B6R0.2 C\C(=C\C(=O)C)\[O-] 39295 [0,0,0,0,1,0|2,0,0]=3 177 B6R0.2 C\C(=C\C(=O)C)\[O-] 39411 [0,0,0,0,1,0|2,0,0]=3 178 B6R0.2 C\C(=C\C(=O)C)\[O-] 39630 [0,0,0,0,1,0|2,0,0]=3 179 B6R0.2 C\C(=C\C(=O)C)\[O-] 41968 [0,0,0,0,1,0|2,0,0]=3 180 B6R0.2 C\C(=C\C(=O)C)\[O-] 42463 [0,0,0,0,1,0|2,0,0]=3 181 B6R0.2 C\C(=C\C(=O)C)\[O-] 44140 [0,0,0,0,1,0|2,0,0]=3 182 B6R0.2 C\C(=C\C(=O)C)\[O-] 78113 [0,0,0,0,1,0|2,0,0]=3 183 B6R0.2 C\C(=C\C(=O)C)\[O-] 81119 [0,0,0,0,1,0|2,0,0]=3 184 B6R0.2 C\C(=C\C(=O)C)\[O-] 89360 [0,0,0,0,1,0|2,0,0]=3 185 B6R0.2 C\C(=C\C(=O)C)\[O-] 89858 [0,0,0,0,1,0|2,0,0]=3 186 B6R0.2 C\C(=C\C(=O)C)\[O-] A14920 [0,0,0,0,1,0|2,0,0]=3 187 B6R0.2 C\C(=C\C(=O)C)\[O-] A18762 [0,0,0,0,1,0|2,0,0]=3 188 B6R0.2 C\C(=C\C(=O)C)\[O-] B24009 [0,0,0,0,1,0|2,0,0]=3 189 B6R0.2 C\C(=C\C(=O)C)\[O-] B24165 [0,0,0,0,1,0|2,0,0]=3 190 B6R0.2 C\C(=C\C(=O)C)\[O-] H55131 [0,0,0,0,1,0|2,0,0]=3 191 B6R0.2 C\C(=C\C(=O)C)\[O-] H60380 [0,0,0,0,1,0|2,0,0]=3 192 B8R0.28 C(C(=O)O)NCC(=O)O A11510 [0,0,0,0,0,1|2,0,1]=4 193 B8R0.28 C(C(=O)O)OCC(=O)O B23758 [0,0,0,0,0,1|2,0,1]=4 194 B8R0.28 C(CC(=O)O)CC(=O)O A14595 [0,0,0,0,0,1|2,0,1]=4 195 B8R0.28 CC(=CCCC(=O)C)C A13335 [0,0,0,0,0,1|1,0,0]=2 196 B8R0.28 CC(=CCOC(=O)C)C A18958 [0,0,0,0,0,1|1,0,0]=2 197 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [0,0,0,0,0,1|1,0,1]=3 198 B8R0.28 CC(=O)CCCC(=O)O L03978 [0,0,0,0,0,1|1,0,1]=3 199 B8R0.28 CC(=O)NCCC(=O)O H50208 [0,0,0,0,0,1|1,0,1]=3 200 B8R0.28 CC(C)CCCC(=O)O A19012 [0,0,0,0,0,1|0,0,2]=3 201 B8R0.28 CC(C)CCOC(=O)C B21618 [0,0,0,0,0,1|1,0,2]=4 202 B8R0.28 CC(CCC=C(C)C)O L09181 [0,0,0,0,0,1|1,0,1]=3 203 B8R0.28 CN(C)CCCC(=O)O A16610 [0,0,0,0,0,1|1,0,1]=3 204 B8R0.28 C[C@@H](CCC=C(C)C)O L18884 [0,0,0,0,0,1|1,0,1]=3 205 B8R0.28 C[C@H](CCC=C(C)C)O L18883 [0,0,0,0,0,1|1,0,1]=3 206 B5R0.1 C(=C/Cl)/C(=O)O A14798 [2,0,0,0,0,0|1,0,0]=3 207 B5R0.1 C(=C\Cl)/C(=O)O A15527 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.1 C(C#N)C(=O)O A11045 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.1 C(CBr)C(=O)O A11573 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.1 C(CCl)C(=O)O B21744 [2,0,0,0,0,0|1,0,1]=4 211 B5R0.1 C(CI)C(=O)O L02655 [2,0,0,0,0,0|1,0,1]=4 212 B5R0.1 C(CN)C(=O)O A16665 [2,0,0,0,0,0|1,0,1]=4 213 B5R0.1 C(CS)C(=O)O A13261 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.1 C=CCC(=O)O L07557 [2,0,0,0,0,0|0,0,0]=2 215 B5R0.1 CC#CC(=O)O A15542 [2,0,0,0,0,0|0,0,2]=4 216 B5R0.1 CC(=C)CCO B23398 [2,0,0,0,0,0|0,0,2]=4 217 B5R0.1 CC(=CC=O)C B22226 [2,0,0,0,0,0|0,0,0]=2 218 B5R0.1 CC(=CCBr)C A13388 [2,0,0,0,0,0|1,0,0]=3 219 B5R0.1 CC(=CCCl)C A16545 [2,0,0,0,0,0|1,0,0]=3 220 B5R0.1 CC(=CCO)C A16089 [2,0,0,0,0,0|0,0,0]=2 221 B5R0.1 CC(=CCO)C H36436 [2,0,0,0,0,0|0,0,0]=2 222 B5R0.1 CC(=O)CCO L11456 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.1 CC(=O)CSC B24149 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.1 CC(=O)NCO A13820 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 CC(=O)OC=C A16247 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 CC(C)CC=C 33029 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.1 CC(C)CC=C L03372 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.1 CC(C)CC=O A19640 [2,0,0,0,0,0|0,0,1]=3 229 B5R0.1 CC(C)CCO 36716 [2,0,0,0,0,0|0,0,2]=4 230 B5R0.1 CC(C)CCO L13660 [2,0,0,0,0,0|0,0,2]=4 231 B5R0.1 CC(C)OC=O A17222 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.1 CC(CC=C)O B20208 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.1 CCCC(=O)C L13262 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.1 CCCC(=O)Cl A17575 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.1 CCCC(=O)N A12494 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.1 CCCC(=O)O L13189 [2,0,0,0,0,0|0,0,1]=3 237 B5R0.1 CCCC(=O)[O-] A11079 [2,0,0,0,0,0|0,0,2]=4 238 B5R0.1 CN(C)CCO B23616 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.1 CNCC(=O)N H65993 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 CNCC(=O)O A14594 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.1 CNCC(=O)O B25536 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.1 COCC(=O)Cl L03210 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.1 COCC(=O)O B22917 [2,0,0,0,0,0|1,0,0]=3 244 B5R0.1 CSCC(=O)O B22531 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.1 C[C@@H](CC=C)O B25728 [2,0,0,0,0,0|1,0,1]=4 246 B5R0.1 C[C@H](CC=C)O B25659 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.1 C\C(=C\CCl)\Cl L20334 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.1 C\C=C\C(=O)C L13031 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.1 C\C=C\C(=O)Cl A13710 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.1 C\C=C\C(=O)O A15765 [2,0,0,0,0,0|0,0,0]=2 251 B5R0.2 C=CCCC=O L13351 [2,0,0,0,0,0|0,0,2]=4 252 B5R0.2 CCCCC=O B21389 [2,0,0,0,0,0|0,0,2]=4 253 B5R0.2 CCC\C=C/C H53506 [2,0,0,0,0,0|1,0,1]=4 254 B5R0.2 CCC\C=C\C B22289 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.2 CCC\C=C\C H53472 [2,0,0,0,0,0|1,0,1]=4 256 B5R0.2 CC\C=C\C=O L06108 [2,0,0,0,0,0|0,0,2]=4 257 B5R0.2 CSCCC=O A14774 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.2 C\C=C\C=C\C H53404 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.2 C\C=C\CC=C B20060 [2,0,0,0,0,0|1,0,0]=3 260 B7R0.2 CC(=O)CC(=O)OC A13696 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.2 CCC(C)CC(=O)O A18886 [1,1,0,0,0,0|0,0,2]=4 262 B7R0.2 COC(=O)CC(=O)N B25326 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.2 COC(=O)CC(=O)O H27772 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.2 COC(=O)CC(=O)[O-] L20429 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.3 CCCCC(=O)OC B24828 [1,1,0,0,0,0|0,0,2]=4 266 B7R0.3 CC\C(=C\CCBr)\C L19407 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.3 COC(=O)CCSC A10649 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.4 C(CCBr)CC(=O)O A11765 [1,1,0,0,0,0|0,0,2]=4 269 B7R0.4 C(CCN)CC(=O)O A15043 [1,1,0,0,0,0|0,0,2]=4 270 B7R0.4 C(CCN)CC(=O)O B24788 [1,1,0,0,0,0|0,0,2]=4 271 B7R0.4 C(COCC(=O)O)N H52289 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.4 C=CCCCC(=O)O L12863 [1,1,0,0,0,0|0,0,2]=4 273 B7R0.4 CCCCCC(=O)O A13789 [1,1,0,0,0,0|0,0,2]=4 274 B7R0.4 CCC\C=C\C(=O)O A13571 [1,1,0,0,0,0|0,0,2]=4 275 B7R0.4 CC\C=C\CC(=O)O A13428 [1,1,0,0,0,0|0,0,0]=2 276 B7R0.4 C\C=C\C=C\C(=O)O A16196 [1,1,0,0,0,0|0,0,1]=3 277 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [1,1,0,0,0,0|0,0,2]=4 278 B7R0.4 C\C=C\CCC(=O)O L02724 [1,1,0,0,0,0|0,0,0]=2 279 B7R0.4 C\C=C\COC(=O)C L09734 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.5 C=CC[C@@H](C(=O)O)N H52097 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.5 C=CC[C@H](C(=O)O)N H52112 [1,1,0,0,0,0|0,0,2]=4 282 B7R0.5 CC(CC=C)C(=O)O A11297 [1,1,0,0,0,0|0,0,2]=4 283 B7R0.5 CCCC(C(=O)O)Br L07047 [1,1,0,0,0,0|0,0,2]=4 284 B7R0.5 CCCC(C(=O)O)N A15900 [1,1,0,0,0,0|0,0,2]=4 285 B7R0.5 CCCC(C)C(=O)O A13873 [1,1,0,0,0,0|0,0,2]=4 286 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [1,1,0,0,0,0|0,0,2]=4 287 B7R0.5 CCC[C@H](C(=O)O)N B23444 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.5 CC\C=C(/C)\C(=O)O A16587 [1,1,0,0,0,0|0,0,2]=4 289 B7R0.5 CC\C=C(/C)\C(=O)O H60391 [1,1,0,0,0,0|0,0,2]=4 290 B7R0.5 COC[C@@H](C(=O)O)N H52562 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.5 COC[C@H](C(=O)O)N H65884 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.9 CC(=O)CC(C)(C)O A16248 [0,1,0,0,1,0|1,0,1]=4 293 B7R0.9 CC(=O)CC(C)(C)S H31693 [0,1,0,0,1,0|1,0,1]=4 294 B7R0.9 CC(C)(C)CC(=O)Cl A10162 [0,1,0,0,1,0|1,0,1]=4 295 B7R0.9 CC(C)(C)CC(=O)O B21660 [0,1,0,0,1,0|0,0,1]=3 296 B7R0.9 CC(C)(CC(=O)O)O 42722 [0,1,0,0,1,0|0,0,1]=3 297 B7R0.9 CC(C)(CC(=O)[O-])O 42721 [0,1,0,0,1,0|0,0,2]=4 298 B7R0.9 CS(=O)(=O)CC(=O)O L07598 [0,1,0,0,1,0|2,0,0]=4 299 B7R0.9 C[N+](C)(C)CC(=O)[O-] A16122 [0,1,0,0,1,0|1,0,1]=4 300 B7R0.9 C[N+](C)(C)CC(=O)[O-] B24397 [0,1,0,0,1,0|1,0,1]=4 301 B7R0.9 C[Si](C)(C)CC(=O)O L03903 [0,1,0,0,1,0|0,1,0]=3 302 B7R0.16 C(=C(Cl)Cl)(C(=O)O)Cl A12299 [0,1,0,0,1,0|2,0,0]=4 303 B7R0.16 C(C(=O)O)(C(=O)O)O B21640 [0,1,0,0,1,0|2,0,0]=4 304 B7R0.16 CC(C(=O)C)C(=O)C L01135 [0,1,0,0,1,0|2,0,0]=4 305 B7R0.16 CC(C(C(=O)O)Br)Br L04841 [0,1,0,0,1,0|1,0,1]=4 306 B7R0.16 CC(C)C(C(=O)O)Br A10756 [0,1,0,0,1,0|0,0,1]=3 307 B7R0.16 CC(C)C(C(=O)O)N A16756 [0,1,0,0,1,0|0,0,1]=3 308 B7R0.16 CC(C)C(C(=O)O)O H60872 [0,1,0,0,1,0|0,0,1]=3 309 B7R0.16 CC(C)[C@@H](C(=O)N)N H63775 [0,1,0,0,1,0|1,0,1]=4 310 B7R0.16 CC(C)[C@@H](C(=O)O)N A12720 [0,1,0,0,1,0|0,0,1]=3 311 B7R0.16 CC(C)[C@H](C(=O)O)N A18894 [0,1,0,0,1,0|0,0,1]=3 312 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O H27301 [0,1,0,0,1,0|1,0,1]=4 313 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O B21177 [0,1,0,0,1,0|1,0,1]=4 314 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A10606 [0,1,0,0,1,0|1,0,1]=4 315 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O A16851 [0,1,0,0,1,0|1,0,1]=4 316 B7R0.16 C[C@H]([C@H](C(=O)O)N)O H27050 [0,1,0,0,1,0|1,0,1]=4 317 B9R0.1 CC(C)C\C=C\C(=O)OC L20190 [0,1,0,0,0,1|0,0,2]=4 318 B9R0.1 CC(CCC=C(C)C)C=O 17773 [0,1,0,0,0,1|1,0,1]=4 319 B9R0.1 COC(=O)CCCC(=O)O L09196 [0,1,0,0,0,1|1,0,1]=4 320 B9R0.7 C(CC(=O)O)C(=O)C(=O)O A10256 [0,1,0,0,0,1|2,0,0]=4 321 B9R0.7 CN(C)C(=O)CCC(=O)O L08796 [0,1,0,0,0,1|1,0,0]=3 322 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A13742 [0,1,0,0,0,1|2,0,0]=4 323 B9R0.53 CC(C)CC(=O)CC(=O)C A13373 [0,1,0,0,0,1|1,0,1]=4 324 B9R0.53 CC(C)C[C@@H](CC(=O)O)N H65857 [0,1,0,0,0,1|0,0,2]=4 325 B9R0.53 CC(C)OC(=O)CC(=O)C A11907 [0,1,0,0,0,1|1,0,1]=4 326 B9R0.23 CC(=O)CC(=O)C(=O)OC A11190 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.23 CC(C)C[C@@H](C(=O)OC)N A14897 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.23 CC(C)C[C@H](C(=O)OC)N H65456 [0,2,0,0,0,0|0,0,2]=4 329 B9R0.23 CC(CN(C)C)C(=O)OC A19034 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.23 COC(=O)[C@@H](CC(=O)O)N H63658 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.23 COC(=O)[C@H](CC(=O)O)N H63221 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.23 C[C@@H](C(=O)OC)NC(=O)C H66990 [0,2,0,0,0,0|2,0,0]=4 333 B9R0.24 COC(=O)CCC(=O)OC A12565 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.24 COC(=O)\C=C/C(=O)OC A18944 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.24 COC(=O)\C=C\C(=O)OC A10402 [0,2,0,0,0,0|1,0,1]=4 336 B9R0.42 CC(C)C(=O)CC(=O)OC L16216 [0,2,0,0,0,0|0,0,1]=3 337 B9R0.42 COC(=O)C[C@@H](C(=O)O)N H62172 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.48 CCNC(=O)\C=C/C(=O)O L00645 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.48 CCOC(=O)CCC(=O)C A15001 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.48 CCOC(=O)CCC(=O)C B20149 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.48 CCOC(=O)CCC(=O)O H55116 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.48 CCOC(=O)CCN(C)C L01542 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.48 CCOC(=O)\C=C\C(=O)O A12545 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.48 CCOC(=O)\C=C\N(C)C B24291 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.10 CC(=O)CC(=O)C(C)(C)C L13104 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.39 CC(=O)NC(CO)C(=O)O H27717 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O A15409 [0,2,0,0,0,0|2,0,0]=4 348 B7R1.2 C1=CC(=O)OC1=O A12178 [1,0,0,1,0,0|1,0,1]=4 349 B7R1.2 C1=CC(=O)OC1=O H66064 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.2 C1C(=O)COC1=O A14079 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.2 C1CC(=O)CC1=O L10336 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.2 C1CC(=O)OC1=O A12245 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.2 CC1=CC(=O)CC1 A13993 [1,0,0,1,0,0|0,0,2]=4 354 B7R1.2 CC1=CCC(=O)O1 L07602 [1,0,0,1,0,0|0,0,0]=2 355 B7R1.2 CC1=NNC(=O)C1 A10253 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.2 CC1CCC(=O)C1 L04940 [1,0,0,1,0,0|0,0,2]=4 357 B7R1.2 CC1CCC(=O)O1 A18872 [1,0,0,1,0,0|0,0,2]=4 358 B7R1.2 CN1CCC(=O)C1 H57585 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.2 Cc1ccc(o1)C A12833 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.3 C1CCOC(=O)C1 L04794 [1,0,0,1,0,0|0,0,2]=4 361 B7R1.3 C1COC(=O)C=C1 L14909 [1,0,0,1,0,0|0,0,2]=4 362 B7R1.3 CC1=CCC=CC1 B20298 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.3 CC1=CCCCC1 L15014 [1,0,0,1,0,0|1,0,1]=4 364 B7R1.12 CC1CC1C(=O)O H27815 [1,0,0,1,0,0|0,0,2]=4 365 B7R1.14 C1C=CCS1(=O)=O A13887 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.18 C1C(CN1)C(=O)O H52294 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.18 C1C(CO1)C(=O)O H57578 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.18 C1CC(C1)C(=O)O A14480 [1,0,0,1,0,0|0,0,2]=4 369 B7R1.18 C1CN[C@@H]1C(=O)O L09668 [1,0,0,1,0,0|1,0,1]=4 370 B7R1.20 C1CC1CC(=O)O L09416 [1,0,0,1,0,0|0,0,2]=4 371 B9R1.35 C1CC(=O)CC1C(=O)O H60414 [0,0,0,1,0,1|1,0,1]=4 372 B9R1.35 C1[C@H](C=C[C@H]1N)C(=O)O H52013 [0,0,0,1,0,1|1,0,1]=4 373 B9R1.35 C1[C@H](NCC1=O)C(=O)O H57691 [0,0,0,1,0,1|1,0,1]=4 374 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,0,0,1,0,1|1,0,1]=4 375 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,0,0,1,0,1|1,0,1]=4 376 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,0,0,1,0,1|1,0,1]=4 377 B9R1.10 CC1(OCC(=O)CO1)C L20177 [0,1,0,1,0,0|1,0,1]=4 378 B9R1.69 Cc1ccc(cc1C)O A10599 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.82 COC(=O)C1CC(=O)C1 H62110 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.38 CC1(C(=O)NC(=O)O1)C A10714 [0,1,0,1,0,0|1,0,1]=4 381 B5R0.5 C(=O)(C(=O)O)N B20344 [0,0,0,0,2,0|2,0,0]=4 382 B5R0.5 C(=O)(C(=O)O)O 33262 [0,0,0,0,2,0|2,0,0]=4 383 B5R0.5 C(=O)(C(=O)O)O 35617 [0,0,0,0,2,0|2,0,0]=4 384 B5R0.5 C(=O)(C(=O)O)O 35619 [0,0,0,0,2,0|2,0,0]=4 385 B5R0.5 C(=O)(C(=O)O)O 35622 [0,0,0,0,2,0|2,0,0]=4 386 B5R0.5 C(=O)(C(=O)O)O 44410 [0,0,0,0,2,0|2,0,0]=4 387 B5R0.5 C(=O)(C(=O)O)O A13866 [0,0,0,0,2,0|2,0,0]=4 388 B5R0.5 C=C(C(=O)O)Br L01194 [0,0,0,0,2,0|1,0,1]=4 389 B5R0.5 C=C(C(=O)O)Cl L00350 [0,0,0,0,2,0|1,0,1]=4 390 B5R0.5 CC(=C(C)C)C A13201 [0,0,0,0,2,0|2,0,0]=4 391 B5R0.5 CC(=C)C(=O)Cl L14511 [0,0,0,0,2,0|1,0,1]=4 392 B5R0.5 CC(=C)C(=O)N L15013 [0,0,0,0,2,0|1,0,1]=4 393 B5R0.5 CC(=C)C(=O)O 15546 [0,0,0,0,2,0|0,0,1]=3 394 B5R0.5 CC(=C)C(=O)O A11543 [0,0,0,0,2,0|0,0,1]=3 395 B5R0.5 CC(=C)C(=O)[O-] 41569 [0,0,0,0,2,0|0,0,2]=4 396 B5R0.5 CC(=C)C(=O)[O-] 41621 [0,0,0,0,2,0|0,0,2]=4 397 B5R0.5 CC(=C)C(=O)[O-] L09272 [0,0,0,0,2,0|0,0,2]=4 398 B5R0.5 CC(=O)C(=O)C A14217 [0,0,0,0,2,0|2,0,0]=4 399 B5R0.5 CC(=O)C(=O)O A13875 [0,0,0,0,2,0|1,0,0]=3 400 B5R0.5 CC(=O)C(=O)[O-] A11148 [0,0,0,0,2,0|1,0,1]=4 401 B5R0.5 CC(=O)C(=O)[O-] A16308 [0,0,0,0,2,0|1,0,1]=4 402 B5R0.5 CC(=O)C(=O)[O-] B25204 [0,0,0,0,2,0|1,0,1]=4 403 B5R0.5 CC(=O)N(C)C 22916 [0,0,0,0,2,0|2,0,0]=4 404 B5R0.5 CC(=O)N(C)C 44913 [0,0,0,0,2,0|2,0,0]=4 405 B5R0.5 CC(=O)N(C)C A10924 [0,0,0,0,2,0|2,0,0]=4 406 B5R0.5 CC(C(=O)O)Br A17569 [0,0,0,0,2,0|1,0,1]=4 407 B5R0.5 CC(C(=O)O)Cl A12860 [0,0,0,0,2,0|1,0,1]=4 408 B5R0.5 CC(C(=O)O)F H25841 [0,0,0,0,2,0|1,0,1]=4 409 B5R0.5 CC(C(=O)O)N A12230 [0,0,0,0,2,0|1,0,1]=4 410 B5R0.5 CC(C(=O)O)O 36415 [0,0,0,0,2,0|1,0,1]=4 411 B5R0.5 CC(C(=O)O)O L14259 [0,0,0,0,2,0|1,0,1]=4 412 B5R0.5 CC(C(=O)O)S L10257 [0,0,0,0,2,0|1,0,1]=4 413 B5R0.5 CC(C)C(=O)C B24527 [0,0,0,0,2,0|1,0,1]=4 414 B5R0.5 CC(C)C(=O)Cl B24472 [0,0,0,0,2,0|1,0,1]=4 415 B5R0.5 CC(C)C(=O)N B21641 [0,0,0,0,2,0|1,0,1]=4 416 B5R0.5 CC(C)C(=O)O L04038 [0,0,0,0,2,0|0,0,1]=3 417 B5R0.5 CC(C)C(=O)[O-] 39372 [0,0,0,0,2,0|0,0,2]=4 418 B5R0.5 CC(C)C(=O)[O-] 46786 [0,0,0,0,2,0|0,0,2]=4 419 B5R0.5 CN(C)C(=O)Cl L03415 [0,0,0,0,2,0|2,0,0]=4 420 B5R0.5 CN(C)C(=O)N L05065 [0,0,0,0,2,0|2,0,0]=4 421 B5R0.5 C[C@@H](C(=O)O)Cl L09427 [0,0,0,0,2,0|1,0,1]=4 422 B5R0.5 C[C@@H](C(=O)O)N A15804 [0,0,0,0,2,0|1,0,1]=4 423 B5R0.5 C[C@@H](C(=O)O)O A17268 [0,0,0,0,2,0|1,0,1]=4 424 B5R0.5 C[C@@H](C(=O)O)O L13242 [0,0,0,0,2,0|1,0,1]=4 425 B5R0.5 C[C@H](C(=O)O)N A10231 [0,0,0,0,2,0|1,0,1]=4 426 B9R0.55 CC(=O)CCCCC(=O)O A14810 [0,0,0,0,0,2|1,0,1]=4 427 B9R0.55 CC(=O)NCCCC(=O)O A11039 [0,0,0,0,0,2|1,0,1]=4 428 B9R0.55 CC(C)CCCCC(=O)O H30392 [0,0,0,0,0,2|0,0,2]=4