0 B9R1.35 C1C(C=NC1C(=O)O)O CHEBI:27391 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.35 C1C(C=NC1C(=O)[O-])O CHEBI:58509 [0,0,0,0,0,0|0,0,3]=3 2 B9R1.35 C1C(CN=C1C(=O)O)O CHEBI:16352 [0,0,0,0,0,0|0,0,2]=2 3 B9R1.35 C1C(CN=C1C(=O)[O-])O CHEBI:57745 [0,0,0,0,0,0|0,0,3]=3 4 B9R1.35 C1C(CNC1C(=O)O)O CHEBI:20392 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 C1C(CNC1C(=O)[O-])O CHEBI:62978 [0,0,0,0,0,0|0,0,1]=1 6 B9R1.35 C1C(C[NH2+]C1C(=O)[O-])O CHEBI:63137 [0,0,0,0,0,0|0,0,2]=2 7 B9R1.35 C1C(NCC1=O)C(=O)O CHEBI:37011 [0,0,0,0,0,0|0,0,2]=2 8 B9R1.35 C1C(NCC1=O)C(=O)[O-] CHEBI:58670 [0,0,0,0,0,0|0,0,3]=3 9 B9R1.35 C1C([NH2+]CC1=O)C(=O)[O-] CHEBI:77656 [0,0,0,0,0,0|0,0,4]=4 10 B9R1.35 C1CC(=O)CC1C(=O)O CHEBI:71213 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.35 C1CC(=O)CC1C(=O)[O-] CHEBI:71191 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.35 C1CC(=O)NC1C(=O)O CHEBI:16010 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O CHEBI:18183 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CHEBI:16924 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 C1CC(=O)OC1C(=O)O CHEBI:74524 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O CHEBI:73677 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 C1[C@@H](C=N[C@H]1C(=O)O)O CHEBI:37005 [0,0,0,0,0,0|0,0,2]=2 18 B9R1.35 C1[C@@H](CN=C1C(=O)O)O CHEBI:88149 [0,0,0,0,0,0|0,0,2]=2 19 B9R1.35 C1[C@@H](CN=C1C(=O)[O-])O CHEBI:87834 [0,0,0,0,0,0|0,0,3]=3 20 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CHEBI:28397 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.35 C1[C@@H](C[NH2+][C@@H]1C(=O)[O-])O CHEBI:63727 [0,0,0,0,0,0|0,0,2]=2 22 B9R1.35 C1[C@H](C=N[C@@H]1C(=O)O)O CHEBI:6151 [0,0,0,0,0,0|0,0,2]=2 23 B9R1.35 C1[C@H](C=N[C@@H]1C(=O)[O-])O CHEBI:62612 [0,0,0,0,0,0|0,0,3]=3 24 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CHEBI:18095 [0,0,0,0,0,0|0,0,0]=0 25 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O CHEBI:16231 [0,0,0,0,0,0|0,0,0]=0 26 B9R1.35 C1[C@H](C[NH2+][C@@H]1C(=O)[O-])O CHEBI:58375 [0,0,0,0,0,0|0,0,2]=2 27 B9R1.35 C1[C@H](C[NH2+][C@H]1C(=O)[O-])O CHEBI:57690 [0,0,0,0,0,0|0,0,2]=2 28 B9R1.35 C1[C@H](NCC1=O)C(=O)O CHEBI:16821 [0,0,0,0,0,0|0,0,2]=2 29 B9R1.35 C1[C@H](NCC1O)C(=O)O CHEBI:18240 [0,0,0,0,0,0|0,0,0]=0 30 B9R1.35 C1[C@H](NCC1O)C(=O)[O-] CHEBI:62981 [0,0,0,0,0,0|0,0,1]=1 31 B9R1.35 C1[C@H]([NH2+]CC1=O)C(=O)[O-] CHEBI:84813 [0,0,0,0,0,0|0,0,4]=4 32 B9R1.35 C1[C@H]([NH2+]CC1O)C(=O)[O-] CHEBI:58419 [0,0,0,0,0,0|0,0,2]=2 33 B8R1.7 C1C(CSS1)C(=O)O CHEBI:18091 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 C1C(NCS1)C(=O)O CHEBI:64564 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.7 C1C([NH2+]CS1)C(=O)[O-] CHEBI:133584 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.7 C1CC(=NC1)C(=O)O CHEBI:36761 [1,0,0,0,0,0|0,0,2]=3 37 B8R1.7 C1CC(=NC1)C(=O)[O-] CHEBI:17425 [1,0,0,0,0,0|0,0,3]=4 38 B8R1.7 C1CC(=[NH+]C1)C(=O)[O-] CHEBI:39785 [1,0,0,0,0,0|0,0,3]=4 39 B8R1.7 C1CC(N=C1)C(=O)O CHEBI:1372 [1,0,0,0,0,0|0,0,2]=3 40 B8R1.7 C1CC(N=C1)C(=O)[O-] CHEBI:15893 [1,0,0,0,0,0|0,0,3]=4 41 B8R1.7 C1CC(NC1)C(=O)O CHEBI:26271 [1,0,0,0,0,0|0,0,0]=1 42 B8R1.7 C1CC(NC1)C(=O)[O-] CHEBI:32871 [1,0,0,0,0,0|0,0,1]=2 43 B8R1.7 C1CC([NH2+]C1)C(=O)O CHEBI:32872 [1,0,0,0,0,0|0,0,1]=2 44 B8R1.7 C1C[C@@H](N=C1)C(=O)O CHEBI:36750 [1,0,0,0,0,0|0,0,2]=3 45 B8R1.7 C1C[C@@H](N=C1)C(=O)[O-] CHEBI:58667 [1,0,0,0,0,0|0,0,3]=4 46 B8R1.7 C1C[C@@H](NC1)C(=O)O CHEBI:16313 [1,0,0,0,0,0|0,0,0]=1 47 B8R1.7 C1C[C@@H](NC1)C(=O)[O-] CHEBI:32867 [1,0,0,0,0,0|0,0,1]=2 48 B8R1.7 C1C[C@@H]([NH2+]C1)C(=O)O CHEBI:32868 [1,0,0,0,0,0|0,0,1]=2 49 B8R1.7 C1C[C@@H]([NH2+]C1)C(=O)[O-] CHEBI:57726 [1,0,0,0,0,0|0,0,2]=3 50 B8R1.7 C1C[C@H](N=C1)C(=O)O CHEBI:371 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.7 C1C[C@H](N=C1)C(=O)[O-] CHEBI:17388 [1,0,0,0,0,0|0,0,3]=4 52 B8R1.7 C1C[C@H](NC1)C(=O)N CHEBI:21374 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 C1C[C@H](NC1)C(=O)O CHEBI:17203 [1,0,0,0,0,0|0,0,0]=1 54 B8R1.7 C1C[C@H](NC1)C(=O)[O-] CHEBI:32862 [1,0,0,0,0,0|0,0,1]=2 55 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)N CHEBI:58495 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)O CHEBI:32864 [1,0,0,0,0,0|0,0,1]=2 57 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] CHEBI:60039 [1,0,0,0,0,0|0,0,2]=3 58 B8R1.7 C1[C@@H](NCS1)C(=O)O CHEBI:64562 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.7 C1[C@H](NCS1)C(=O)O CHEBI:45171 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.7 CC(=O)C1=NCCC1 CHEBI:67125 [1,0,0,0,0,0|1,0,2]=4 61 B8R1.7 CC(C1CCCC1)O CHEBI:131340 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.59 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N CHEBI:46486 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.194 C1[C@@H]([C@H]([C@H](N1)C(=O)O)O)O CHEBI:27041 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.8 C(CC(C(=O)O)N)CN CHEBI:18257 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.8 C(CC(C(=O)O)[NH3+])C[NH3+] CHEBI:46913 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.8 C(C[C@@H](C(=O)O)N)CN CHEBI:15729 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.8 C(C[C@@H](C(=O)O)[NH3+])C[NH3+] CHEBI:44667 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.8 C(C[C@H](C(=O)O)N)CN CHEBI:16176 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.8 CCCCC(C(=O)O)N CHEBI:36405 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.8 CCCCC(C(=O)O)O CHEBI:86542 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.8 CCCC[C@@H](C(=O)O)N CHEBI:18347 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.8 CCCC[C@H](C(=O)O)N CHEBI:42101 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.9 C(C(=O)NCC(=O)O)N CHEBI:17201 [0,0,1,0,0,0|1,0,2]=4 74 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:132969 [0,0,1,0,0,0|0,0,2]=3 75 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:17549 [0,0,1,0,0,0|0,0,2]=3 76 B8R0.9 C(CC(=O)O)C(=O)C[NH3+] CHEBI:132970 [0,0,1,0,0,0|0,0,3]=4 77 B8R0.9 C(CC(=O)O)C(C#N)N CHEBI:28474 [0,0,1,0,0,0|1,0,2]=4 78 B8R0.9 C(CC(=O)O)[C@@H](C#N)N CHEBI:50614 [0,0,1,0,0,0|1,0,2]=4 79 B8R0.9 C(CC(=O)O)[C@@H](C=O)N CHEBI:15757 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.9 C(CC(=O)O)[C@H](C#N)N CHEBI:50615 [0,0,1,0,0,0|1,0,2]=4 81 B8R0.9 C(CC(=O)[O-])C(=O)CN CHEBI:12109 [0,0,1,0,0,0|0,0,3]=4 82 B8R0.9 C=CC(CCC(=O)O)N CHEBI:63638 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.23 C(C(C(=O)N)N)C(=O)O CHEBI:49010 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.23 C(C(C(=O)O)Br)C(=O)O CHEBI:73712 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.23 C(C(C(=O)O)Cl)C(=O)O CHEBI:90244 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.23 C(C(C(=O)O)N)C(=O)N CHEBI:22653 [0,0,1,0,0,0|1,0,2]=4 87 B8R0.23 C(C(C(=O)O)N)C(=O)O CHEBI:22660 [0,0,1,0,0,0|1,0,1]=3 88 B8R0.23 C(C(C(=O)O)O)C(=O)O CHEBI:6650 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.23 C(C(C(=O)O)S)C(=O)O CHEBI:38705 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.23 C(C(C(=O)O)[S-])C(=O)O CHEBI:38709 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O CHEBI:21248 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CHEBI:17196 [0,0,1,0,0,0|1,0,2]=4 93 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CHEBI:17053 [0,0,1,0,0,0|1,0,1]=3 94 B8R0.23 C([C@@H](C(=O)O)N)S(=O)=O CHEBI:41721 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O CHEBI:16345 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.23 C([C@@H](C(=O)O)N)[Se](=O)O CHEBI:28454 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O CHEBI:30797 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.23 C([C@@H](C(=O)O)S)C(=O)O CHEBI:38720 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.23 C([C@H](C(=O)N)N)C(=O)O CHEBI:49011 [0,0,1,0,0,0|2,0,1]=4 100 B8R0.23 C([C@H](C(=O)O)N)C(=O)N CHEBI:28159 [0,0,1,0,0,0|1,0,2]=4 101 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CHEBI:17364 [0,0,1,0,0,0|1,0,1]=3 102 B8R0.23 C([C@H](C(=O)O)O)C(=O)O CHEBI:30796 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.23 C([C@H](C(=O)O)S)C(=O)O CHEBI:38719 [0,0,1,0,0,0|2,0,1]=4 104 B8R0.23 C=C(C[C@@H](C(=O)O)N)Cl CHEBI:15885 [0,0,1,0,0,0|1,0,2]=4 105 B8R0.23 CC(=O)CC(C(=O)O)N CHEBI:15914 [0,0,1,0,0,0|0,0,2]=3 106 B8R0.23 CC(C)CC(=O)C(=O)O CHEBI:48430 [0,0,1,0,0,0|2,0,1]=4 107 B8R0.23 CC(C)CC(C(=O)O)N CHEBI:25017 [0,0,1,0,0,0|1,0,0]=2 108 B8R0.23 CC(C)CC(C(=O)O)O CHEBI:59783 [0,0,1,0,0,0|2,0,0]=3 109 B8R0.23 CC(C)CC(C(=O)O)[NH3+] CHEBI:32628 [0,0,1,0,0,0|1,0,1]=3 110 B8R0.23 CC(C)CC(C(=O)[O-])N CHEBI:32627 [0,0,1,0,0,0|1,0,1]=3 111 B8R0.23 CC(C)CC(C(=O)[O-])O CHEBI:133577 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.23 CC(C)C[C@@H](C(=O)N)N CHEBI:21349 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.23 CC(C)C[C@@H](C(=O)O)N CHEBI:15603 [0,0,1,0,0,0|1,0,0]=2 114 B8R0.23 CC(C)C[C@@H](C(=O)O)O CHEBI:44510 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH3+] CHEBI:32620 [0,0,1,0,0,0|1,0,1]=3 116 B8R0.23 CC(C)C[C@@H](C(=O)[O-])N CHEBI:32619 [0,0,1,0,0,0|1,0,1]=3 117 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] CHEBI:57427 [0,0,1,0,0,0|1,0,2]=4 118 B8R0.23 CC(C)C[C@H](C(=O)O)N CHEBI:28225 [0,0,1,0,0,0|1,0,0]=2 119 B8R0.23 CC(C)C[C@H](C(=O)O)O CHEBI:55534 [0,0,1,0,0,0|2,0,0]=3 120 B8R0.23 CC(C)C[C@H](C(=O)O)[NH3+] CHEBI:32624 [0,0,1,0,0,0|1,0,1]=3 121 B8R0.23 CC(C)C[C@H](C(=O)[O-])N CHEBI:32623 [0,0,1,0,0,0|1,0,1]=3 122 B8R0.23 CC(C)C[C@H](C(=O)[O-])O CHEBI:55535 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.23 CC(CC(=O)C(=O)O)O CHEBI:17655 [0,0,1,0,0,0|1,0,1]=3 124 B8R0.23 CC(CC(=O)C(=O)[O-])O CHEBI:58222 [0,0,1,0,0,0|1,0,2]=4 125 B8R0.23 CC(CC(=O)O)C(=O)O CHEBI:91315 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.23 CC(CC(C(=O)O)N)N CHEBI:904 [0,0,1,0,0,0|1,0,0]=2 127 B8R0.23 CC(CC(C(=O)[O-])N)N CHEBI:16594 [0,0,1,0,0,0|1,0,1]=3 128 B8R0.23 CC(CC(C(=O)[O-])[NH3+])[NH3+] CHEBI:58935 [0,0,1,0,0,0|1,0,2]=4 129 B8R0.23 CN(C)CC(C(=O)O)N CHEBI:88163 [0,0,1,0,0,0|2,0,0]=3 130 B8R0.23 C[C@@H](CC(=O)C(=O)O)O CHEBI:73148 [0,0,1,0,0,0|1,0,1]=3 131 B8R0.23 C[C@@H](CC(=O)C(=O)[O-])O CHEBI:73143 [0,0,1,0,0,0|1,0,2]=4 132 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CHEBI:91316 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.23 C[C@@H](C[C@H](C(=O)O)N)N CHEBI:4280 [0,0,1,0,0,0|1,0,0]=2 134 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])N)N CHEBI:15601 [0,0,1,0,0,0|1,0,1]=3 135 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:58697 [0,0,1,0,0,0|1,0,2]=4 136 B8R0.23 C[C@H](CC(=O)O)C(=O)O CHEBI:91317 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.28 C(C(=O)O)NCC(=O)O CHEBI:24786 [0,0,1,0,0,0|1,0,1]=3 138 B8R0.28 C(C(=O)O)SCC(=O)O CHEBI:35012 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.28 C(CC(=O)O)CC(=O)O CHEBI:17859 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.28 CC(=O)CCCC(=O)O CHEBI:15888 [0,0,1,0,0,0|1,0,2]=4 141 B8R0.28 CC(CCCC(=O)O)O CHEBI:131434 [0,0,1,0,0,0|1,0,0]=2 142 B8R0.28 CC(CCCC(=O)[O-])O CHEBI:132985 [0,0,1,0,0,0|1,0,1]=3 143 B8R0.28 C[C@H](CCCC(=O)O)O CHEBI:78842 [0,0,1,0,0,0|1,0,0]=2 144 B10R1.13 C1CC(=O)CCC1C(=O)O CHEBI:1921 [0,0,0,0,0,1|1,0,2]=4 145 B10R1.13 C1CC(NCC1O)C(=O)O CHEBI:74048 [0,0,0,0,0,1|0,0,0]=1 146 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O CHEBI:16817 [0,0,0,0,0,1|1,0,0]=2 147 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)[O-] CHEBI:57906 [0,0,0,0,0,1|1,0,1]=3 148 B7R0.4 C#CCCCC(=O)O CHEBI:73511 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.4 C(C#N)NCC(=O)O CHEBI:71209 [1,0,1,0,0,0|1,0,1]=4 150 B7R0.4 C(CC=O)CC(=O)O CHEBI:39153 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,0,1,0,0,0|1,0,0]=3 152 B7R0.4 C(CCN)CC(=O)N CHEBI:18120 [1,0,1,0,0,0|1,0,0]=3 153 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,0,1,0,0,0|0,0,0]=2 154 B7R0.4 C(CCN)CC(=O)[O-] CHEBI:86394 [1,0,1,0,0,0|0,0,1]=3 155 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,0,1,0,0,0|1,0,0]=3 156 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.4 C(CC[NH3+])CC(=O)N CHEBI:58382 [1,0,1,0,0,0|1,0,1]=4 158 B7R0.4 C(CC[NH3+])CC(=O)[O-] CHEBI:356010 [1,0,1,0,0,0|0,0,2]=4 159 B7R0.4 CC(=O)NCCCN CHEBI:35414 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.4 CCCCCC(=O)C CHEBI:5672 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.4 CCCCCC(=O)[O-] CHEBI:114126 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.4 CCCCCC(=O)[O-] CHEBI:17120 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,0,1,0,0,0|1,0,1]=4 165 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,0,1,0,0,0|1,0,1]=4 166 B7R0.4 CC\C=C/CC(=O)O CHEBI:49284 [1,0,1,0,0,0|1,0,1]=4 167 B7R0.4 CC\C=C\CC(=O)O CHEBI:49283 [1,0,1,0,0,0|1,0,1]=4 168 B7R0.4 CC\C=C\CC(=O)O CHEBI:49285 [1,0,1,0,0,0|1,0,1]=4 169 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.5 C(C#N)C(C(=O)O)N CHEBI:132546 [1,0,1,0,0,0|1,0,1]=4 171 B7R0.5 C(C#N)[C@@H](C(=O)O)N CHEBI:16934 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.5 C(C=O)[C@@H](C(=O)O)N CHEBI:18051 [1,0,1,0,0,0|0,0,2]=4 173 B7R0.5 C(CN)C(C(=O)O)N CHEBI:64307 [1,0,1,0,0,0|1,0,0]=3 174 B7R0.5 C(CN)[C@@H](C(=O)O)N CHEBI:48950 [1,0,1,0,0,0|1,0,0]=3 175 B7R0.5 C(CN)[C@@H](C(=O)[O-])N CHEBI:16028 [1,0,1,0,0,0|1,0,1]=4 176 B7R0.5 C(CO)C(C(=O)O)N CHEBI:30653 [1,0,1,0,0,0|0,0,0]=2 177 B7R0.5 C(CO)C(C(=O)O)O CHEBI:86348 [1,0,1,0,0,0|1,0,0]=3 178 B7R0.5 C(CO)C(C(=O)[O-])N CHEBI:62980 [1,0,1,0,0,0|0,0,1]=3 179 B7R0.5 C(CO)[C@@H](C(=O)O)N CHEBI:15699 [1,0,1,0,0,0|0,0,0]=2 180 B7R0.5 C(CO)[C@@H](C(=O)[O-])[NH3+] CHEBI:57476 [1,0,1,0,0,0|0,0,2]=4 181 B7R0.5 C(CO)[C@H](C(=O)O)N CHEBI:30654 [1,0,1,0,0,0|0,0,0]=2 182 B7R0.5 C(CS)C(C(=O)O)N CHEBI:17230 [1,0,1,0,0,0|0,1,0]=3 183 B7R0.5 C(CS)C(C(=O)[O-])N CHEBI:66952 [1,0,1,0,0,0|0,1,1]=4 184 B7R0.5 C(CS)[C@@H](C(=O)O)N CHEBI:17588 [1,0,1,0,0,0|0,1,0]=3 185 B7R0.5 C(CS)[C@@H](C(=O)[O-])N CHEBI:63072 [1,0,1,0,0,0|0,1,1]=4 186 B7R0.5 C(C[SeH])[C@@H](C(=O)O)N CHEBI:9096 [1,0,1,0,0,0|0,1,0]=3 187 B7R0.5 C([C@@H](C(=O)O)N)S=O CHEBI:41630 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.5 C([C@@H](C(=O)O)N)SO CHEBI:41710 [1,0,1,0,0,0|1,0,0]=3 189 B7R0.5 C([C@@H](C(=O)O)N)SS CHEBI:28839 [1,0,1,0,0,0|1,1,0]=4 190 B7R0.5 CCCC(=O)C(=O)O CHEBI:33033 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.5 CCCC(C(=O)O)N CHEBI:19475 [1,0,1,0,0,0|0,0,0]=2 192 B7R0.5 CCCC(C(=O)O)O CHEBI:60647 [1,0,1,0,0,0|1,0,0]=3 193 B7R0.5 CCCC(C(=O)[O-])O CHEBI:60630 [1,0,1,0,0,0|1,0,1]=4 194 B7R0.5 CCC[C@@H](C(=O)O)N CHEBI:18314 [1,0,1,0,0,0|0,0,0]=2 195 B7R0.5 CCC[C@@H](C(=O)[O-])[NH3+] CHEBI:58441 [1,0,1,0,0,0|0,0,2]=4 196 B7R0.5 CCC[C@H](C(=O)O)N CHEBI:28804 [1,0,1,0,0,0|0,0,0]=2 197 B7R0.5 CCOC(C)C(=O)C CHEBI:87526 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.5 CNC[C@@H](C(=O)O)N CHEBI:73169 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.5 COC[C@@H](C(=O)O)N CHEBI:74798 [1,0,1,0,0,0|1,0,0]=3 200 B7R0.5 CSC[C@@H](C(=O)O)N CHEBI:45658 [1,0,1,0,0,0|1,0,0]=3 201 B7R0.5 C[Se]CC(C(=O)O)N CHEBI:9068 [1,0,1,0,0,0|1,0,0]=3 202 B7R0.5 C[Se]CC(C(=O)O)[NH3+] CHEBI:53132 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.5 C[Se]CC(C(=O)[O-])N CHEBI:53128 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.5 C[Se]C[C@@H](C(=O)O)N CHEBI:27812 [1,0,1,0,0,0|1,0,0]=3 205 B7R0.5 C[Se]C[C@@H](C(=O)O)[NH3+] CHEBI:53130 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.5 C[Se]C[C@@H](C(=O)[O-])N CHEBI:53126 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.5 C[Se]C[C@H](C(=O)O)N CHEBI:53125 [1,0,1,0,0,0|1,0,0]=3 208 B7R0.5 C[Se]C[C@H](C(=O)O)[NH3+] CHEBI:53131 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.5 C[Se]C[C@H](C(=O)[O-])N CHEBI:53129 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.6 C(CC(=O)O)C(=O)N CHEBI:50398 [1,0,1,0,0,0|0,0,2]=4 211 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.6 C(CS(=O)O)C(=O)O CHEBI:79222 [1,0,1,0,0,0|2,0,0]=4 213 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [1,0,1,0,0,0|0,0,2]=4 214 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [1,0,1,0,0,0|1,0,0]=3 215 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [1,0,1,0,0,0|1,0,0]=3 217 B7R0.6 CC(CCC(C)O)O CHEBI:84894 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [1,0,1,0,0,0|0,0,0]=2 220 B7R0.15 CCC(CO)C(=O)O CHEBI:82956 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.15 CCC(CO)C(=O)[O-] CHEBI:82955 [1,0,1,0,0,0|1,0,1]=4 222 B7R1.1 C1CC(NC1)CN CHEBI:50468 [2,0,0,0,0,0|1,0,1]=4 223 B7R1.1 C1CC(NC1)CO CHEBI:59652 [2,0,0,0,0,0|0,0,1]=3 224 B7R1.1 C1C[C@@H](NC1)CN CHEBI:50470 [2,0,0,0,0,0|1,0,1]=4 225 B7R1.1 C1C[C@@H](NC1)CO CHEBI:84258 [2,0,0,0,0,0|0,0,1]=3 226 B7R1.1 C1C[C@H](NC1)CN CHEBI:44632 [2,0,0,0,0,0|1,0,1]=4 227 B9R0.7 CC(CCC(=O)O)C(=O)O CHEBI:68567 [0,1,1,0,0,0|1,0,1]=4 228 B9R0.7 C[C@H](C(=O)O)NCC(=O)O CHEBI:16439 [0,1,1,0,0,0|0,0,1]=3 229 B9R0.8 CC(C(=O)NC)SCCO CHEBI:38996 [0,1,1,0,0,0|2,0,0]=4 230 B9R0.42 CC(C(=O)O)OC(=O)CO CHEBI:53493 [0,1,1,0,0,0|1,0,1]=4 231 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN CHEBI:73855 [0,1,1,0,0,0|1,0,1]=4 232 B9R0.42 C[C@H](C(=O)O)NC(=O)CN CHEBI:73891 [0,1,1,0,0,0|1,0,1]=4 233 B9R0.47 C(C[C@@H](C(=O)O)N)CNO CHEBI:79095 [0,1,1,0,0,0|2,0,0]=4 234 B9R0.47 CC(C(=O)O)OCCOC CHEBI:67255 [0,1,1,0,0,0|1,0,0]=3 235 B9R0.23 C([C@@H]([C@@H](CO)O)O)C(=O)O CHEBI:86350 [0,1,1,0,0,0|1,0,0]=3 236 B9R0.23 C([C@@H]([C@@H](CO)O)O)C(=O)[O-] CHEBI:86353 [0,1,1,0,0,0|1,0,1]=4 237 B9R0.24 COC(=O)CCC(=O)CN CHEBI:724125 [0,1,1,0,0,0|0,0,2]=4 238 B9R0.24 [C@@H2]([C@@H2][C@@H](N)C=O)[C@H](O)CN CHEBI:32573 [0,1,1,0,0,0|1,0,1]=4 239 B9R0.15 CCCC(CCC)C(=O)O CHEBI:39867 [0,1,1,0,0,0|2,0,0]=4 240 B9R0.15 CCCC(CCC)C(=O)O CHEBI:4667 [0,1,1,0,0,0|2,0,0]=4 241 B9R0.29 CCC(C)C(C(=O)O)NC CHEBI:64350 [0,1,1,0,0,0|1,0,0]=3 242 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC CHEBI:43312 [0,1,1,0,0,0|1,0,0]=3 243 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NO CHEBI:61129 [0,1,1,0,0,0|2,0,0]=4 244 B9R0.39 CC(C)CC(C(=O)O)NC CHEBI:43983 [0,1,1,0,0,0|1,0,0]=3 245 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CHEBI:31882 [0,1,1,0,0,0|0,0,1]=3 246 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O CHEBI:21260 [0,1,1,0,0,0|2,0,0]=4 247 B9R0.57 C([C@@H](C(=O)O)N)S(=O)(=O)O CHEBI:17285 [0,1,1,0,0,0|2,0,0]=4 248 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N CHEBI:83981 [0,1,1,0,0,0|1,0,1]=4 249 B9R0.79 CC(C(C(C(=O)O)O)O)O CHEBI:131364 [0,1,1,0,0,0|1,0,0]=3 250 B9R0.79 C[C@@H]([C@@H](C(=O)O)N)C(=O)O CHEBI:47980 [0,1,1,0,0,0|1,0,1]=4 251 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N CHEBI:79079 [0,1,1,0,0,0|0,0,0]=2 252 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](C(=O)[O-])[NH3+] CHEBI:78247 [0,1,1,0,0,0|0,0,2]=4 253 B9R0.79 [C@@H](C(C(=O)O)O)(C(=O)O)N CHEBI:60887 [0,1,1,0,0,0|1,0,1]=4 254 B9R0.79 [C@@H]([C@@H](C(=O)O)O)(C(=O)O)N CHEBI:60893 [0,1,1,0,0,0|1,0,1]=4 255 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)N CHEBI:60897 [0,1,1,0,0,0|1,0,1]=4 256 B9R0.79 [C@H](C(C(=O)O)O)(C(=O)O)N CHEBI:48423 [0,1,1,0,0,0|1,0,1]=4 257 B9R0.79 [C@H](C(C(=O)O)S)(C(=O)O)N CHEBI:74653 [0,1,1,0,0,0|1,0,1]=4 258 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)N CHEBI:10696 [0,1,1,0,0,0|1,0,1]=4 259 B9R0.79 [C@H]([C@H](C(=O)O)O)(C(=O)O)N CHEBI:17576 [0,1,1,0,0,0|1,0,1]=4 260 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N CHEBI:27713 [0,1,1,0,0,0|2,0,0]=4 261 B9R0.53 C[C@@H](C[C@@H](CC(=O)O)N)N CHEBI:15616 [0,1,1,0,0,0|2,0,0]=4 262 B9R0.56 C(C(=O)O)NCP(=O)(O)O CHEBI:27744 [0,1,1,0,0,0|2,0,0]=4 263 B9R1.41 C1CNC(C1O)C(=O)O CHEBI:64368 [1,1,0,0,0,0|0,0,0]=2 264 B9R1.41 C1CN[C@@H](C1O)C(=O)O CHEBI:20056 [1,1,0,0,0,0|0,0,0]=2 265 B9R1.41 C1CN[C@@H]([C@@H]1O)C(=O)O CHEBI:55479 [1,1,0,0,0,0|0,0,0]=2 266 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O CHEBI:16889 [1,1,0,0,0,0|0,0,0]=2 267 B9R1.41 C1CN[C@H]([C@@H]1O)C(=O)O CHEBI:70756 [1,1,0,0,0,0|0,0,0]=2 268 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O CHEBI:88157 [1,1,0,0,0,0|0,0,0]=2 269 B9R1.41 C1C[NH2+][C@@H]([C@@H]1O)C(=O)[O-] CHEBI:60041 [1,1,0,0,0,0|0,0,2]=4 270 B9R1.41 C1C[NH2+][C@@H]([C@H]1O)C(=O)[O-] CHEBI:57938 [1,1,0,0,0,0|0,0,2]=4 271 B9R1.41 C1C[NH2+][C@H]([C@H]1O)C(=O)[O-] CHEBI:87840 [1,1,0,0,0,0|0,0,2]=4 272 B9R1.41 CN1CCC[C@H]1C(=O)O CHEBI:90344 [1,1,0,0,0,0|0,0,0]=2 273 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CHEBI:41149 [1,1,0,0,0,0|0,0,2]=4 274 B9R1.41 C[NH+]1CCC[C@H]1C(=O)[O-] CHEBI:133743 [1,1,0,0,0,0|0,0,2]=4 275 B9R1.163 C1CCC(C1)(C(=O)O)N CHEBI:40547 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.163 CC1(CCCC1)C(=O)O CHEBI:41476 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.163 CC1(NCCS1)C(=O)N CHEBI:84282 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.3 C1[C@@H](CC[C@H](C1)C(=O)O)CN CHEBI:48669 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.21 C1C[C@@H](C(=O)C[C@H]1C(=O)O)O CHEBI:15567 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.21 C1C[C@@H](C(=O)C[C@H]1C(=O)[O-])O CHEBI:57414 [0,1,0,0,0,1|1,0,1]=4 281 B11R1.21 C1C[C@@H]([C@@H](C[C@H]1C(=O)O)O)O CHEBI:15566 [0,1,0,0,0,1|1,0,0]=3 282 B11R1.21 C1C[C@@H]([C@@H](C[C@H]1C(=O)[O-])O)O CHEBI:57413 [0,1,0,0,0,1|1,0,1]=4 283 B11R1.22 COC(=O)C1CCC(CN1)O CHEBI:70844 [0,1,0,0,0,1|0,0,0]=2 284 B11R1.23 COC(=O)C1CC(CCN1)O CHEBI:70837 [0,1,0,0,0,1|0,0,0]=2 285 B11R1.23 COC(=O)N1CCCC(C1)O CHEBI:70840 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.44 COC(=O)C1CC(NC1)CO CHEBI:70830 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.44 COC(=O)C1CCC(N1)CO CHEBI:70834 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.44 COC(=O)N1CCC(C1)CO CHEBI:70835 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.865 C1[C@H]([C@@H]([C@H](O1)[C@H](C=O)O)O)O CHEBI:27861 [0,2,0,0,0,0|1,0,1]=4 290 B11R1.865 C1[C@H]([C@H]([C@H](O1)[C@H](C=O)O)O)O CHEBI:27550 [0,2,0,0,0,0|1,0,1]=4 291 B11R1.489 C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C CHEBI:85534 [0,2,0,0,0,0|0,0,2]=4 292 B11R1.489 C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C CHEBI:85533 [0,2,0,0,0,0|0,0,2]=4 293 B9R1.5 CC1CCCCOC1=O CHEBI:663 [0,0,1,1,0,0|2,0,0]=4 294 B9R1.6 C1CC(CNC1)C(=O)O CHEBI:116931 [0,0,1,1,0,0|2,0,0]=4 295 B9R1.6 C1CCC(CC1)C(=O)O CHEBI:36096 [0,0,1,1,0,0|2,0,0]=4 296 B9R1.6 C1CCNC(C1)C(=O)O CHEBI:17964 [0,0,1,1,0,0|1,0,0]=3 297 B9R1.6 C1CCNC(C1)C(=O)[O-] CHEBI:36110 [0,0,1,1,0,0|1,0,1]=4 298 B9R1.6 C1CCN[C@@H](C1)C(=O)O CHEBI:30913 [0,0,1,1,0,0|1,0,0]=3 299 B9R1.6 C1CCN[C@@H](C1)C(=O)[O-] CHEBI:30633 [0,0,1,1,0,0|1,0,1]=4 300 B9R1.6 C1CCN[C@H](C1)C(=O)O CHEBI:41582 [0,0,1,1,0,0|1,0,0]=3 301 B9R1.6 C1CCN[C@H](C1)C(=O)[O-] CHEBI:18703 [0,0,1,1,0,0|1,0,1]=4 302 B9R1.6 C1CN[C@@H](CN1)C(=O)N CHEBI:55391 [0,0,1,1,0,0|2,0,0]=4 303 B9R1.6 C1CN[C@@H](CN1)C(=O)O CHEBI:55392 [0,0,1,1,0,0|1,0,0]=3 304 B9R1.6 C1CN[C@@H](CN1)C(=O)[O-] CHEBI:55393 [0,0,1,1,0,0|1,0,1]=4 305 B9R1.6 C1CN[C@@H](C[NH2+]1)C(=O)N CHEBI:58919 [0,0,1,1,0,0|2,0,0]=4 306 B9R1.6 C1CN[C@H](CN1)C(=O)N CHEBI:55356 [0,0,1,1,0,0|2,0,0]=4 307 B9R1.6 C1CN[C@H](CN1)C(=O)O CHEBI:55357 [0,0,1,1,0,0|1,0,0]=3 308 B9R1.6 C1CN[C@H](CN1)C(=O)[O-] CHEBI:55358 [0,0,1,1,0,0|1,0,1]=4 309 B9R1.6 C1CN[C@H](C[NH2+]1)C(=O)N CHEBI:58916 [0,0,1,1,0,0|2,0,0]=4 310 B9R1.6 C1CSC(CN1)C(=O)O CHEBI:36396 [0,0,1,1,0,0|2,0,0]=4 311 B9R1.6 C1CSCC(N1)C(=O)O CHEBI:17195 [0,0,1,1,0,0|0,1,0]=3 312 B9R1.6 C1CSCC(N1)C(=O)[O-] CHEBI:15237 [0,0,1,1,0,0|0,1,1]=4 313 B9R1.6 C1CSC[C@@H](N1)C(=O)O CHEBI:36395 [0,0,1,1,0,0|0,1,0]=3 314 B9R1.6 C1CSC[C@H](N1)C(=O)O CHEBI:36394 [0,0,1,1,0,0|0,1,0]=3 315 B9R1.6 C1C[C@@H](CNC1)C(=O)O CHEBI:222169 [0,0,1,1,0,0|2,0,0]=4 316 B9R1.6 C1C[C@H](CNC1)C(=O)O CHEBI:221278 [0,0,1,1,0,0|2,0,0]=4 317 B7R0.16 C(C(=O)O)(C(=O)O)N CHEBI:17475 [0,0,1,0,1,0|1,0,1]=4 318 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [0,0,1,0,1,0|0,0,2]=4 319 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [0,0,1,0,1,0|0,0,2]=4 320 B7R0.16 CC(C(C(=O)O)N)O CHEBI:38263 [0,0,1,0,1,0|0,0,0]=2 321 B7R0.16 CC(C(C(=O)O)O)O CHEBI:86347 [0,0,1,0,1,0|1,0,0]=3 322 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [0,0,1,0,1,0|1,0,0]=3 323 B7R0.16 CC(C(C)O)C(=O)[O-] CHEBI:78554 [0,0,1,0,1,0|1,0,1]=4 324 B7R0.16 CC(C)C(C(=O)O)N CHEBI:27266 [0,0,1,0,1,0|1,0,0]=3 325 B7R0.16 CC(C)C(C(=O)O)O CHEBI:60645 [0,0,1,0,1,0|2,0,0]=4 326 B7R0.16 CC(C)C(C(=O)O)[NH3+] CHEBI:32860 [0,0,1,0,1,0|1,0,1]=4 327 B7R0.16 CC(C)C(C(=O)[O-])N CHEBI:32859 [0,0,1,0,1,0|1,0,1]=4 328 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [0,0,1,0,1,0|2,0,0]=4 329 B7R0.16 CC(C)[C@@H](C(=O)O)N CHEBI:16414 [0,0,1,0,1,0|1,0,0]=3 330 B7R0.16 CC(C)[C@@H](C(=O)O)O CHEBI:60631 [0,0,1,0,1,0|2,0,0]=4 331 B7R0.16 CC(C)[C@@H](C(=O)O)[NH3+] CHEBI:32852 [0,0,1,0,1,0|1,0,1]=4 332 B7R0.16 CC(C)[C@@H](C(=O)[O-])N CHEBI:32851 [0,0,1,0,1,0|1,0,1]=4 333 B7R0.16 CC(C)[C@H](C(=O)O)N CHEBI:27477 [0,0,1,0,1,0|1,0,0]=3 334 B7R0.16 CC(C)[C@H](C(=O)O)O CHEBI:46415 [0,0,1,0,1,0|2,0,0]=4 335 B7R0.16 CC(C)[C@H](C(=O)O)[NH3+] CHEBI:32856 [0,0,1,0,1,0|1,0,1]=4 336 B7R0.16 CC(C)[C@H](C(=O)[O-])N CHEBI:32855 [0,0,1,0,1,0|1,0,1]=4 337 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [0,0,1,0,1,0|2,0,0]=4 338 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O CHEBI:28718 [0,0,1,0,1,0|0,0,0]=2 339 B7R0.16 C[C@@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:58585 [0,0,1,0,1,0|0,0,2]=4 340 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O CHEBI:16398 [0,0,1,0,1,0|0,0,0]=2 341 B7R0.16 C[C@@H]([C@H](C(=O)O)[NH3+])O CHEBI:32828 [0,0,1,0,1,0|0,0,1]=3 342 B7R0.16 C[C@@H]([C@H](C(=O)[O-])N)O CHEBI:32827 [0,0,1,0,1,0|0,0,1]=3 343 B7R0.16 C[C@@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:57757 [0,0,1,0,1,0|0,0,2]=4 344 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [0,0,1,0,1,0|1,0,0]=3 345 B7R0.16 C[C@@H]([C@H](C)O)C(=O)[O-] CHEBI:78559 [0,0,1,0,1,0|1,0,1]=4 346 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [0,0,1,0,1,0|2,0,0]=4 347 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CHEBI:16857 [0,0,1,0,1,0|0,0,0]=2 348 B7R0.16 C[C@H]([C@@H](C(=O)O)O)O CHEBI:86391 [0,0,1,0,1,0|1,0,0]=3 349 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH3+])O CHEBI:32822 [0,0,1,0,1,0|0,0,1]=3 350 B7R0.16 C[C@H]([C@@H](C(=O)[O-])N)O CHEBI:32820 [0,0,1,0,1,0|0,0,1]=3 351 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:57926 [0,0,1,0,1,0|0,0,2]=4 352 B7R0.16 C[C@H]([C@H](C(=O)N)O)O CHEBI:28598 [0,0,1,0,1,0|2,0,0]=4 353 B7R0.16 C[C@H]([C@H](C(=O)O)N)O CHEBI:32826 [0,0,1,0,1,0|0,0,0]=2 354 B7R0.16 C[C@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:58645 [0,0,1,0,1,0|0,0,2]=4 355 B7R0.16 [13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2] CHEBI:87977 [0,0,1,0,1,0|1,0,0]=3 356 B7R1.18 C1CNC1C(=O)O CHEBI:38108 [1,0,0,0,1,0|0,0,0]=2 357 B7R1.18 C1CN[C@@H]1C(=O)O CHEBI:6198 [1,0,0,0,1,0|0,0,0]=2 358 B7R1.18 C1CN[C@H]1C(=O)O CHEBI:38109 [1,0,0,0,1,0|0,0,0]=2 359 B9R0.55 CC(CCCCC(=O)O)O CHEBI:78774 [0,0,1,0,0,1|1,0,0]=3 360 B9R0.55 C[C@@H](CCCCC(=O)O)O CHEBI:78781 [0,0,1,0,0,1|1,0,0]=3 361 B9R0.55 C[C@H](CCCCC(=O)O)O CHEBI:78775 [0,0,1,0,0,1|1,0,0]=3 362 B9R0.55 C[C@H](CC\C=C\C(=O)O)O CHEBI:78831 [0,0,1,0,0,1|1,0,1]=4