0 B8R0.9 COC(=O)CCC(=O)Cl 13239 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.9 NCC(=O)CCC(=O)O 29927 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.9 NCC(=O)NCC(=O)O 14973 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 C=CCOC(=O)OC 26330 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.3 COC(=O)CCC#N 12831 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.3 COC(=O)CCC=O 29717 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.3 CO\C=C\C(=O)OC 26434 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CC(=O)CCCCCl 29051 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCCCC(=O)Cl 21359 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 COCCOC(=O)Cl 12774 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 C=C(C)CCC(C)=O 25282 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.6 CC(=O)CCC(=O)O 11206 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.6 CC(=O)CNC(C)=O 16497 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.6 CC(=O)NCC(=O)O 8849 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.6 CC(=O)NNC(C)=O 23969 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.6 CC(=O)OCC(=O)Cl 20920 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.6 CC(C)CCC(=O)Cl 20015 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 C[S+](C)CCC(=O)O 35248 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.6 O=C(O)C#CC(=O)O 13735 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.6 O=C(O)CC[N+](=O)[O-] 27590 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.6 O=C(O)\C=C\C(=O)O 21784 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.7 CC(Cl)C(=O)NCC(=O)O 14384 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.7 CC(S)C(=O)NCC(=O)O 15029 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.21 COC(=O)CCS(=O)(=O)Cl 18906 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.23 CCC(=O)C(C)CN(C)C 44881 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.23 COC(=O)C(N)CC(=O)O 25026 [0,1,0,0,0,0|1,0,0]=2 26 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 13176 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.23 COC(=O)[C@@H](N)CC(C)C 10892 [0,1,0,0,0,0|1,0,1]=3 28 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 18984 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.23 COC(=O)[C@H](N)CC(=O)O 25017 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.23 COC(=O)[C@H](N)CC(C)C 10893 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.24 COC(=O)C#CC(=O)OC 13734 [0,1,0,0,0,0|0,0,2]=3 32 B9R0.24 COC(=O)\C=C\C(=O)OC 21799 [0,1,0,0,0,0|0,0,2]=3 33 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 13169 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.42 CNC(=O)C[C@H](N)C(=O)O 13168 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.42 COC(=O)CC(=O)C(=O)O 33557 [0,1,0,0,0,0|1,0,1]=3 36 B9R0.42 COC(=O)C[C@H](C)C(=O)O 23241 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.42 COC(=O)C[C@H](N)C(=O)O 14916 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.48 CCOC(=O)CCC(C)=O 11220 [0,1,0,0,0,0|0,0,0]=1 40 B9R0.48 CCOC(=O)CC[N+](=O)[O-] 27586 [0,1,0,0,0,0|2,0,0]=3 41 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] 26661 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [0,1,0,0,0,0|0,0,2]=3 43 B9R1.1 CCN1CCC(=O)CC1 6784 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.10 CC1(C)CCC(=O)CC1 30356 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.10 O=C1CCS(=O)(=O)CC1 18746 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.35 CC(C)[C@@H]1COC(=O)N1 8176 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.35 CC(C)[C@H]1COC(=O)N1 2450 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.35 O=C1CCC(C(=O)O)N1 9493 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.35 O=C1CCC(C(=O)O)O1 29015 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 8104 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 29008 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.35 O=C1CC[C@H](C(=O)O)N1 8103 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.35 O=C1CN[C@H](C(=O)O)C1 14289 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.49 CN1CCCC(=O)CC1 2442 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.49 CN1CCCC(=O)CC1 2443 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.69 CC1CN(C)CCC1=O 14069 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.80 COC(=O)CNC1CC1 30154 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.82 COC(=O)C1CC(=O)C1 27149 [0,0,0,1,0,0|0,0,0]=1 60 B7R0.2 CCC(=O)CC(C)=O 24813 [0,0,0,0,1,0|1,0,0]=2 61 B7R0.2 CN\C(C)=C\C(C)=O 12814 [0,0,0,0,1,0|2,0,1]=4 62 B7R0.2 COC(=O)C=C(C)C 35911 [0,0,0,0,1,0|1,0,1]=3 63 B7R0.2 COC(=O)CC(C)=O 24182 [0,0,0,0,1,0|0,0,0]=1 64 B7R0.2 COC(=O)CC(N)=S 16742 [0,0,0,0,1,0|1,1,0]=3 65 B7R0.2 COC(=O)C[C@@H](C)O 13967 [0,0,0,0,1,0|0,0,2]=3 66 B7R0.2 COC(=O)C[C@H](C)O 13965 [0,0,0,0,1,0|0,0,2]=3 67 B7R0.2 COC(=O)NC(N)=O 12458 [0,0,0,0,1,0|2,0,0]=3 68 B7R0.2 COC(=O)\C=C(/C)N 15699 [0,0,0,0,1,0|1,0,1]=3 69 B9R0.1 COC(=O)CCCC(=O)Cl 14033 [0,0,0,0,0,1|1,0,0]=2 70 B6R0.1 CC#CC(=O)OC 12783 [2,0,0,0,0,0|0,0,2]=4 71 B6R0.1 CNCC(=O)OC 10901 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.1 COC(=O)CCBr 19970 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.1 COC(=O)CCN 10900 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.1 COC(=O)NC=O 23790 [2,0,0,0,0,0|1,0,0]=3 75 B6R0.1 COC(=O)\C=C\F 12658 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.1 COC(=O)\C=C\I 11669 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.1 [C-]#[N+]CC(=O)OC 36045 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 C#CCCC(=O)O 32190 [2,0,0,0,0,0|0,0,2]=4 79 B6R0.4 C=CCCC(=O)O 20009 [2,0,0,0,0,0|0,0,1]=3 80 B6R0.4 CC(=O)CCCCl 17207 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 CCCCC(=O)Cl 21358 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.4 CCCCC(=O)[O-] 27064 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.4 CCNCC(=O)O 23122 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 CC\C=C\C(C)=O 32068 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.4 CO\C=C\C(C)=O 28206 [2,0,0,0,0,0|0,0,1]=3 86 B6R0.4 O=C(O)CCCBr 3754 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 O=C(O)CCCS 36247 [2,0,0,0,0,0|0,1,1]=4 88 B6R0.6 CCCCCC=O 3077 [2,0,0,0,0,0|1,0,1]=4 89 B8R0.1 C=COC(=O)CCCC 13121 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.1 CCOC(=O)CCC#N 31621 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.1 CCOC(=O)CCCBr 3949 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.1 CCOC(=O)CCCI 35852 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [1,1,0,0,0,0|0,0,1]=3 94 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [1,1,0,0,0,0|0,0,1]=3 95 B8R0.6 CCCSCC(=O)OC 28955 [1,1,0,0,0,0|0,0,1]=3 96 B8R0.6 COC(=O)CCCCN 31883 [1,1,0,0,0,0|0,0,1]=3 97 B8R0.19 CCC(=O)CC(=O)OC 18684 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [1,1,0,0,0,0|0,0,1]=3 100 B8R0.19 COC(=O)CC(O)CCl 21114 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.5 COCC(C)OC(C)=O 4049 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.7 CCCCCCC(C)=O 26418 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.7 COCCOCC(=O)Cl 36078 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.7 COCCOCC(=O)O 31986 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.28 CC(=O)CCC=C(C)C 35423 [1,1,0,0,0,0|1,0,0]=3 107 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 29924 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 29923 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 12857 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.23 CC(=O)N[C@H](C)C(=O)O 12867 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 26970 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 27148 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.23 CC(C)CC(N)C(=O)O 26534 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.23 CC(C)CC(O)C(=O)O 22723 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.23 CC(C)C[C@@H](N)C(=O)O 12374 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.23 CC(C)C[C@H](F)C(=O)O 10708 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.23 CC(C)C[C@H](N)C(=O)O 13183 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.23 CC(C)C[C@H](O)C(=O)O 8273 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30142 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30151 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.23 CC(C)[C@H](N)CC(=O)O 23284 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.23 CC(C)[C@H](N)CC(=O)O 30172 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.23 C[C@@H](O)[C@@H](N)CC(=O)O 24543 [1,1,0,0,0,0|0,0,2]=4 124 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 24541 [1,1,0,0,0,0|0,0,2]=4 125 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 24542 [1,1,0,0,0,0|0,0,2]=4 126 B8R0.23 C[C@H](O)[C@H](N)CC(=O)O 24540 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.23 NC(=O)CC(N)C(=O)O 15167 [1,1,0,0,0,0|1,0,0]=3 128 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 15169 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 20981 [1,1,0,0,0,0|1,0,0]=3 130 B8R0.23 NC(=O)C[C@H](N)C(=O)O 15166 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.23 NC(=O)C[C@H](N)C(=O)O 24959 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.23 NC(CC(=O)O)C(=O)O 12370 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.23 NC(CC(=O)[O-])C(=O)O 15160 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] 15148 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 8074 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] 15135 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 35349 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15139 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15142 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15144 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] 15146 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.23 N[C@H](CC(=O)O)C(=O)O 8073 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.23 O=C(O)CC(O)C(=O)O 20057 [1,1,0,0,0,0|1,0,0]=3 144 B8R0.23 O=C(O)CC(S)C(=O)O 35232 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O 6254 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 7917 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 13815 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O 6255 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.23 [*]C(=O)[C@@H](N)CC(N)=O 24967 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.29 CS(=O)(=O)CCC(=O)O 23949 [1,1,0,0,0,0|1,0,0]=3 151 B8R0.29 NS(=O)(=O)CCC(=O)O 27469 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.2 COC(=O)C(N)C(C)=O 24594 [0,1,0,0,1,0|0,0,0]=2 153 B8R0.2 COC(=O)[C@@H](N)C(C)C 10897 [0,1,0,0,1,0|1,0,1]=4 154 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 19049 [0,1,0,0,1,0|0,0,2]=4 155 B8R0.2 COC(=O)[C@H](N)C(C)C 10898 [0,1,0,0,1,0|1,0,1]=4 156 B8R0.16 COC(CC(C)=O)OC 13759 [0,1,0,0,1,0|0,0,2]=4 157 B10R0.3 CCOC(=O)CCCC(=O)Cl 16647 [0,1,0,0,0,1|1,0,0]=3 158 B10R0.3 CCOC(=O)CCCC(C)=O 27277 [0,1,0,0,0,1|0,0,0]=2 159 B10R0.44 COC(=O)CC(C)CC(=O)[O-] 29219 [0,1,0,0,0,1|1,0,0]=3 160 B10R0.44 COC(=O)\C=C(/C)NC(C)=O 25558 [0,1,0,0,0,1|0,0,2]=4 161 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 13174 [0,1,0,0,0,1|1,0,0]=3 162 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 6337 [0,1,0,0,0,1|1,0,0]=3 163 B10R0.57 COC(=O)[C@H](N)CCC(N)=O 6336 [0,1,0,0,0,1|1,0,0]=3 164 B10R0.59 COC(=O)COCC(=S)OC 10749 [0,1,0,0,0,1|0,1,0]=3 165 B10R0.59 O=C(CO)COCC(=O)CO 25343 [0,1,0,0,0,1|2,0,0]=4 166 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 14918 [0,1,0,0,0,1|1,0,0]=3 167 B10R0.109 CCOC(=O)CCS(=O)(=O)Cl 36245 [0,2,0,0,0,0|2,0,0]=4 168 B10R0.32 CCOC(=O)C(=O)CC(C)=O 35292 [0,2,0,0,0,0|0,0,1]=3 169 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 18876 [0,2,0,0,0,0|1,0,1]=4 170 B10R0.46 COC(=O)CC(N)C(=O)OC 25027 [0,2,0,0,0,0|0,0,0]=2 171 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC 25021 [0,2,0,0,0,0|0,0,0]=2 172 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC 6781 [0,2,0,0,0,0|0,0,0]=2 173 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 10903 [0,2,0,0,0,0|0,0,0]=2 174 B10R0.46 COC(=O)C[C@H](O)C(=O)OC 6778 [0,2,0,0,0,0|0,0,0]=2 175 B10R0.54 COC(=O)[C@H](CCl)NC(C)=O 23290 [0,2,0,0,0,0|1,0,0]=3 176 B10R0.141 COC(=O)C(C)(C)CC(=O)O 27854 [0,2,0,0,0,0|1,0,0]=3 177 B10R0.26 CCOC(=O)C[C@H](O)C(C)C 15562 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.47 COC(=O)CC(C)(C)C(=O)O 33985 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.1 COC1=CC(=O)NC1 26246 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.1 O=C1C[C@H](CF)CO1 29192 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.3 CN1CCC(=O)CC1 8508 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.3 O=C1CCC(=O)CC1 13686 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.3 O=C1CCC(=O)NC1 20071 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.5 CC1CCCCC1=O 15725 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.5 CC1CNCCC1=O 15830 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.22 O=C1CCCCCC1 15555 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.22 O=C1CCCCCN1 32271 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.22 O=C1CCCCCO1 15924 [1,0,0,1,0,0|0,0,1]=3 189 B8R1.22 O=C1CCCNCC1 17662 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.38 COC(=O)C1CCC1 23839 [1,0,0,1,0,0|0,0,1]=3 191 B8R1.38 COC(=O)C1CCN1 23978 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.38 COC(=O)C1CNC1 18800 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.38 COC(=O)C1CNC1 23516 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.50 CC1C(=O)CCC1=O 2206 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.50 O=C1CCC(=O)N1Cl 13763 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.50 O=C1CCC(=O)N1I 12908 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.50 O=C1CCC(=O)N1O 10972 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.7 O=C(Cl)C1CCOC1 30317 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.7 O=C(O)C1CCOC1 22077 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.23 C=C1CC(C(=O)O)C1 36024 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.23 CC1CC(C(=O)O)C1 27314 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.23 CN1CC(C(=O)O)C1 36075 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.23 NC1CC(C(=O)O)C1 29386 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.23 O=C1CC(C(=O)O)C1 14220 [1,0,0,1,0,0|0,0,0]=2 206 B8R1.51 CC1(C)CCC(=O)O1 25722 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.18 CC1=NN(C)C(=O)C1 8412 [0,0,0,1,1,0|2,0,0]=4 208 B10R1.13 CC(=O)N1CCC(=O)CC1 19615 [0,0,0,1,0,1|1,0,0]=3 209 B10R1.13 NC(=O)C1CCC(=O)CC1 26304 [0,0,0,1,0,1|2,0,0]=4 210 B10R1.13 O=C1CCC(C(=O)O)CC1 12606 [0,0,0,1,0,1|2,0,0]=4 211 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 31801 [0,0,0,1,0,1|2,0,0]=4 212 B10R1.14 COC(=O)C1CCC(=O)C1 15798 [0,0,0,1,0,1|0,0,0]=2 213 B10R1.14 COC(=O)C1CNC(=O)C1 35685 [0,0,0,1,0,1|0,0,0]=2 214 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 10949 [0,0,0,1,0,1|1,0,0]=3 215 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 14917 [0,0,0,1,0,1|0,0,2]=4 216 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 35210 [0,0,0,1,0,1|1,0,0]=3 217 B10R1.194 CN1C(=O)CCC1C(=O)O 34580 [0,0,0,1,0,1|2,0,0]=4 218 B10R1.140 CCOC(=O)C1CC(O)C1 27136 [0,1,0,1,0,0|0,0,2]=4 219 B6R0.2 CC(=O)\C=C(/C)N 12810 [1,0,0,0,1,0|1,0,1]=4 220 B6R0.2 CC(C)=CC(=O)O 21295 [1,0,0,0,1,0|1,0,1]=4 221 B6R0.2 CC(O)CC(=O)O 13860 [1,0,0,0,1,0|0,0,2]=4 222 B6R0.2 CN(C)CC(=O)O 21520 [1,0,0,0,1,0|2,0,0]=4 223 B6R0.2 C[C@@H](N)CC(=O)O 30087 [1,0,0,0,1,0|1,0,1]=4 224 B6R0.2 C[C@H](N)CC(=O)O 13856 [1,0,0,0,1,0|1,0,1]=4 225 B6R0.2 O=C(O)CC(=O)O 35063 [1,0,0,0,1,0|1,0,0]=3 226 B6R0.2 O=C(O)C[N+](=O)[O-] 17232 [1,0,0,0,1,0|2,0,0]=4 227 B6R0.3 CCC(=O)C(=O)O 24837 [0,0,0,0,2,0|2,0,0]=4 228 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,0,0,0,2,0|2,0,0]=4 229 B6R0.3 COC(=O)C(C)=O 35415 [0,0,0,0,2,0|0,0,0]=2 230 B6R0.3 COC(=O)C(C)N 10905 [0,0,0,0,2,0|1,0,1]=4 231 B6R0.3 COC(=O)[C@@H](C)N 10885 [0,0,0,0,2,0|1,0,1]=4 232 B6R0.3 COC(=O)[C@@H](C)O 6056 [0,0,0,0,2,0|0,0,2]=4 233 B6R0.3 COC(=O)[C@H](C)Cl 6064 [0,0,0,0,2,0|1,0,1]=4 234 B6R0.3 COC(=O)[C@H](C)N 10884 [0,0,0,0,2,0|1,0,1]=4 235 B6R0.3 COC(=O)[C@H](C)O 12893 [0,0,0,0,2,0|0,0,2]=4 236 B6R0.3 CON(C)C(C)=O 12775 [0,0,0,0,2,0|2,0,0]=4