0 B7R0.1 C(CCCN)CCN CHEBI:39618 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C(CCCO)CCO CHEBI:43078 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C(CCN)CCNO CHEBI:50440 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C(CN)CNCCS CHEBI:72583 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 C(CO)CSCCO CHEBI:87679 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 CC=CCCC=CC CHEBI:111518 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 CCCCCCC=C CHEBI:46708 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.1 CCCCCCCC CHEBI:17590 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.1 CCCCCON=O CHEBI:55344 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 CCCCOCCO CHEBI:63921 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.1 CCCC\C=C\C=O CHEBI:61724 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.1 CCCSSCCC CHEBI:45758 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 CCNCCNCC CHEBI:182290 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 CC\C=C\C=C\C=O CHEBI:132837 [0,0,0,0,0,0|0,0,4]=4 14 B7R0.1 COCCOCCO CHEBI:44836 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 CSCCC\C=N\O CHEBI:50705 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 C(CC=O)CC=O CHEBI:64276 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 C(CCN)CCN CHEBI:18127 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 C(CCN)CCN CHEBI:64701 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 C(CCNO)CN CHEBI:50435 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 C(CC[NH3+])CC[NH3+] CHEBI:58384 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 C(CCl)NCCCl CHEBI:37599 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 C(CCl)SCCCl CHEBI:25434 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 C(CNCCN)N CHEBI:30629 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 C(CNCCN)N CHEBI:3814 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 C(CNCCN)N CHEBI:59602 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 C(CO)NCCO CHEBI:28123 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 C(CO)[NH2+]CCO CHEBI:63877 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 C(COCCN)N CHEBI:53541 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.6 C(COCCO)O CHEBI:46807 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 C(CSCCO)O CHEBI:75184 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCCCC=O CHEBI:88528 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.6 CCCCCCC CHEBI:43098 [1,0,0,0,0,0|0,0,1]=2 33 B6R0.6 CCCCCCN CHEBI:5712 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.6 CCCCCCO CHEBI:87393 [1,0,0,0,0,0|0,0,1]=2 35 B6R0.6 CCCCN=C=O CHEBI:136519 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 CCCCN=C=S CHEBI:50534 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.6 CCCCNC=O CHEBI:84287 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.6 CCC\C=C/C=O CHEBI:18554 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.6 CCC\C=C\C=O CHEBI:19591 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.6 CCC\C=C\C=O CHEBI:28913 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.6 CCOCCCO CHEBI:87489 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 CC\C=C/CC=O CHEBI:23292 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.6 CC\C=C/CCO CHEBI:28857 [1,0,0,0,0,0|0,0,3]=4 44 B6R0.6 CC\C=C\CC=O CHEBI:20030 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.6 CNCCCCN CHEBI:17166 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.6 C[NH2+]CCCC[NH3+] CHEBI:58039 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.1 CCOC(=O)CCC=O CHEBI:87282 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.4 C(CCNCCN)CN CHEBI:44736 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.4 C(CN)CNCCCN CHEBI:16841 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.4 C(C[NH3+])C[NH2+]CCC[NH3+] CHEBI:57920 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.4 CCCCCCCC=C CHEBI:77443 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.4 CCCCCCCC=O CHEBI:17935 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.4 CCCCCCCCC CHEBI:32892 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.4 CCCCCCCCN CHEBI:7728 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCCCCCO CHEBI:16188 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.4 CCCCCCN=C=O CHEBI:59058 [0,1,0,0,0,0|0,0,1]=2 57 B8R0.4 CCCCC\C=C\C=O CHEBI:61725 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.4 CCCCC\C=C\C=O CHEBI:61748 [0,1,0,0,0,0|0,0,1]=2 59 B8R0.4 CCCC[SnH2]CCCC CHEBI:23686 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.4 CCOCCOCCO CHEBI:40572 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.4 COCCOCCOC CHEBI:46784 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.4 CSCCCC\C=N\O CHEBI:50700 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.6 CCCCCC(=O)NC CHEBI:15860 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.6 CCCCCC(=O)OC CHEBI:77322 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.6 CCCCCC(C=C)O CHEBI:34118 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.6 CCCCCC(CC)O CHEBI:80945 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.6 CCCCC[C@@H](C=C)O CHEBI:46735 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.6 CCCCC[C@H](C=C)O CHEBI:39932 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.6 CCCCOC(=O)C=C CHEBI:3245 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.7 C(CC=O)CNC(=N)N CHEBI:16671 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.7 C(CC=O)CNC(=[NH2+])N CHEBI:57854 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.7 C(CCC(=O)O)CC=O CHEBI:2490 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.7 C(CCC(=O)O)CCBr CHEBI:60700 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.7 C(CCC(=O)O)CCN CHEBI:16586 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.7 C(CCC(=O)O)CCN CHEBI:79212 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.7 C(CCC(=O)O)CCO CHEBI:17869 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.7 C(CCC(=O)[O-])CC=O CHEBI:18322 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.7 C(CCC(=O)[O-])CCN CHEBI:32396 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.7 C(CCC(=O)[O-])CCN CHEBI:78395 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.7 C(CCC(=O)[O-])CCO CHEBI:32383 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.7 C(CCC(=O)[O-])CC[NH3+] CHEBI:57826 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.7 C(CCNC(=N)N)CN CHEBI:17431 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.7 C(CCNC(=O)N)CN CHEBI:17902 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.7 C(CCNC(=O)N)C[NH3+] CHEBI:58318 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.7 C(CCNC(=[NH2+])N)C[NH3+] CHEBI:58145 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.7 C(CO)\C=C\CC(=O)O CHEBI:49293 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.7 C=CCCCCC(=O)O CHEBI:38363 [0,1,0,0,0,0|0,0,2]=3 88 B8R0.7 CC(=O)CCCCC=C CHEBI:87581 [0,1,0,0,0,0|0,0,2]=3 89 B8R0.7 CC(=O)NCCCC=O CHEBI:7386 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.7 CC(=O)NCCCCN CHEBI:17768 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.7 CC(=O)NCCCC[NH3+] CHEBI:58263 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.7 CC(=O)OCCCC=C CHEBI:87515 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.7 CC(=O)OCCCSC CHEBI:87281 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.7 CC(CCCCC=C)O CHEBI:87586 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.7 CC(COCCOC)N CHEBI:63044 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.7 CCCCCCC(=O)C CHEBI:87434 [0,1,0,0,0,0|0,0,0]=1 97 B8R0.7 CCCCCCC(=O)O CHEBI:45571 [0,1,0,0,0,0|0,0,0]=1 98 B8R0.7 CCCCCCC(=O)[O-] CHEBI:32362 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.7 CCCCCCC(C)O CHEBI:37869 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.7 CCCCCC[C@@H](C)O CHEBI:37871 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.7 CCCCCC[C@H](C)O CHEBI:37870 [0,1,0,0,0,0|0,0,2]=3 102 B8R0.7 CCCCCOC(=O)C CHEBI:87362 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.7 CCCC\C=C/C(=O)O CHEBI:38365 [0,1,0,0,0,0|0,0,2]=3 104 B8R0.7 CCCC\C=C\C(=O)O CHEBI:36152 [0,1,0,0,0,0|0,0,2]=3 105 B8R0.7 CCCC\C=C\C(=O)O CHEBI:38364 [0,1,0,0,0,0|0,0,2]=3 106 B8R0.7 CCCOCCC(=O)C CHEBI:132292 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.2 C#[N+]C1CCCCC1 CHEBI:58334 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.2 C1CCN(CC1)N=O CHEBI:76324 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.2 C1COCCN1N=O CHEBI:76326 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.2 CCN1CCCCC1 CHEBI:39017 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 CNC1CCCCC1 CHEBI:59018 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.2 [C-]#[N+]C1CCCCC1 CHEBI:17966 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.5 C1CC(C(=O)NC1)N CHEBI:76341 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.5 C1CCC(=O)C(=O)C1 CHEBI:41674 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.5 C1CCC(=O)C(C1)O CHEBI:17878 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.5 C1CCC(C(C1)O)O CHEBI:24567 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O CHEBI:32329 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.5 C1CC[C@H]([C@@H](C1)O)O CHEBI:16931 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.8 C1CCN(C1)CCO CHEBI:48293 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.8 C1CC[NH+](C1)CCO CHEBI:48312 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.8 COC[C@@H]1CCCN1 CHEBI:131426 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.22 C1CCC(=O)NCC1 CHEBI:28579 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.22 C1CCC(=O)OCC1 CHEBI:17915 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.49 C1CCCC#CCC1 CHEBI:37815 [0,0,0,1,0,0|1,0,1]=3 125 B8R1.49 C1CCCNCCC1 CHEBI:38792 [0,0,0,1,0,0|1,0,1]=3 126 B8R1.49 C1CCC\C=C\CC1 CHEBI:73156 [0,0,0,1,0,0|1,0,0]=2 127 B5R0.2 C(CC=O)CN CHEBI:17769 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.2 C(CCCl)CO CHEBI:87310 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.2 C(CCN)CN CHEBI:17148 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.2 C(CCO)CO CHEBI:41189 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.2 C(CC[NH3+])C[NH3+] CHEBI:326268 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 CCCCC=C CHEBI:24579 [2,0,0,0,0,0|0,0,1]=3 134 B5R0.2 CCCCC=O CHEBI:84069 [2,0,0,0,0,0|0,0,0]=2 135 B5R0.2 CCCCCC CHEBI:29021 [2,0,0,0,0,0|0,0,0]=2 136 B5R0.2 CCCCCN CHEBI:74848 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.2 CCCCCO CHEBI:44884 [2,0,0,0,0,0|0,0,1]=3 138 B5R0.2 CCCCNC CHEBI:59019 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.2 CCOCCO CHEBI:46788 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.2 CCOOCC CHEBI:35929 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.2 CCSCCS CHEBI:38625 [2,0,0,0,0,0|1,1,0]=4 142 B5R0.2 CC\C=C\C=O CHEBI:61722 [2,0,0,0,0,0|0,0,2]=4 143 B5R0.2 COCCOC CHEBI:42263 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.2 CSCCC=O CHEBI:49017 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.2 CSCCCN CHEBI:16696 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 CSCCCO CHEBI:49019 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.2 CSCCC[NH3+] CHEBI:57866 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.3 CCCCC(=O)C=C CHEBI:87567 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.3 CCCCC(=O)CC CHEBI:50139 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.4 C#CCCCC(=O)O CHEBI:73511 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.4 C(CC=O)CC(=O)O CHEBI:39153 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.4 C(CC=O)CC(=O)[O-] CHEBI:16120 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.4 C(CCN)CC(=O)N CHEBI:18120 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.4 C(CCN)CC(=O)[O-] CHEBI:86394 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.4 C(CC[NH3+])CC(=O)N CHEBI:58382 [1,1,0,0,0,0|1,0,0]=3 160 B7R0.4 C(CC[NH3+])CC(=O)[O-] CHEBI:356010 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.4 CC(=O)NCCC=O CHEBI:30322 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.4 CC(=O)NCCCN CHEBI:35414 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.4 CC(=O)NCCC[NH3+] CHEBI:70988 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.4 CC(C)CCOC=O CHEBI:31726 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.4 CC(C)CCON=O CHEBI:2691 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.4 CCCCCC(=O)C CHEBI:5672 [1,1,0,0,0,0|0,0,0]=2 167 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,1,0,0,0,0|0,0,0]=2 168 B7R0.4 CCCCCC(=O)[O-] CHEBI:114126 [1,1,0,0,0,0|0,0,0]=2 169 B7R0.4 CCCCCC(=O)[O-] CHEBI:17120 [1,1,0,0,0,0|0,0,0]=2 170 B7R0.4 CCCCC[C@H](C)O CHEBI:87378 [1,1,0,0,0,0|0,0,1]=3 171 B7R0.4 CCCCOC(=O)C CHEBI:31328 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.4 CCC\C=C\C(=O)[O-] CHEBI:87722 [1,1,0,0,0,0|0,0,2]=4 175 B7R0.4 CC\C=C/CC(=O)O CHEBI:49284 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.4 CC\C=C\CC(=O)C CHEBI:87582 [1,1,0,0,0,0|0,0,2]=4 177 B7R0.4 CC\C=C\CC(=O)O CHEBI:49283 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.4 CC\C=C\CC(=O)O CHEBI:49285 [1,1,0,0,0,0|0,0,2]=4 179 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.4 CNCCCC(=O)[O-] CHEBI:20441 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.4 C[NH2+]CCCC(=O)[O-] CHEBI:66882 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.4 C\C=C/CCC(=O)O CHEBI:38357 [1,1,0,0,0,0|0,0,2]=4 183 B7R0.4 C\C=C\CCC(=O)O CHEBI:38355 [1,1,0,0,0,0|0,0,2]=4 184 B7R0.4 C\C=C\CCC(=O)O CHEBI:38356 [1,1,0,0,0,0|0,0,2]=4 185 B7R0.7 C(CO)C(CCO)O CHEBI:131187 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.7 CCCC(C)CCC CHEBI:67193 [1,1,0,0,0,0|0,0,1]=3 187 B7R0.7 CCCC(CCO)S CHEBI:77690 [1,1,0,0,0,0|0,0,1]=3 188 B9R0.4 C(C[C@@H](CC(=O)O)N)CN CHEBI:15613 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.4 C(C[C@@H](CC(=O)[O-])[NH3+])C[NH3+] CHEBI:57434 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.4 C(C[C@H](CC(=O)O)N)CN CHEBI:85040 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.4 C(C[C@H](CC(=O)[O-])[NH3+])C[NH3+] CHEBI:84138 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.4 CCCCC(CC(=O)O)O CHEBI:132838 [0,2,0,0,0,0|0,0,0]=2 193 B9R0.4 CCCC\C(=C\C(=O)O)\Br CHEBI:34329 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.5 CCOC(=O)CCCC=C CHEBI:87299 [0,2,0,0,0,0|1,0,1]=4 195 B9R0.5 C\C=C/OCC(C)CC=O CHEBI:87275 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.8 CCCCC(C(CO)O)O CHEBI:67095 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.8 CCCC[C@H]([C@@H](CO)O)O CHEBI:43208 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.34 CCCC(C)CC(C)CC CHEBI:84237 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.48 CCCC(=O)NCC(=O)O CHEBI:89963 [0,2,0,0,0,0|1,0,1]=4 200 B9R0.48 CCCC(=O)NCC(=O)[O-] CHEBI:132937 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.2 C(CCCO)CCC(=O)O CHEBI:79112 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.2 C(CCO)C\C=C\C(=O)O CHEBI:79161 [0,2,0,0,0,0|0,0,2]=4 203 B9R0.2 CCCCCC#CC(=O)O CHEBI:60295 [0,2,0,0,0,0|0,0,1]=3 204 B9R0.2 CCCCCCCC(=O)C CHEBI:77927 [0,2,0,0,0,0|0,0,0]=2 205 B9R0.2 CCCCCCCC(=O)O CHEBI:28837 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:132100 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:25646 [0,2,0,0,0,0|0,0,0]=2 208 B9R0.2 CCCCCCCC(C)O CHEBI:78304 [0,2,0,0,0,0|0,0,2]=4 209 B9R0.2 CCCCCCOC(=O)C CHEBI:87510 [0,2,0,0,0,0|0,0,0]=2 210 B9R0.2 CCCCCSCC(=O)O CHEBI:65241 [0,2,0,0,0,0|0,0,0]=2 211 B9R0.2 CCCCC\C=C\C(=O)C CHEBI:133457 [0,2,0,0,0,0|0,0,1]=3 212 B9R0.2 CCCCC\C=C\C(=O)O CHEBI:86544 [0,2,0,0,0,0|0,0,1]=3 213 B9R0.2 CCOCCCOC(=O)C CHEBI:87294 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.2 CCOCCOCC(=O)O CHEBI:131424 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.2 CC\C=C/CCOC(=O)C CHEBI:61316 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.2 COCCOCCC(=O)O CHEBI:67254 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.45 C#CCCCCCCC#C CHEBI:37823 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.45 C(CC=O)CNCCCN CHEBI:51824 [0,2,0,0,0,0|0,0,0]=2 219 B9R0.45 C(CC=O)C[NH2+]CCC[NH3+] CHEBI:58869 [0,2,0,0,0,0|0,0,0]=2 220 B9R0.45 C(CCCCN)CCCN CHEBI:73112 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.45 C(CCCCO)CCCO CHEBI:44630 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.45 C(CCNCCCN)CN CHEBI:16610 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.45 C(CC[NH2+]CCC[NH3+])C[NH3+] CHEBI:57834 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.45 CCCCCCCCC#C CHEBI:87322 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.45 CCCCCCCCC=C CHEBI:87315 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.45 CCCCCCCCC=O CHEBI:84268 [0,2,0,0,0,0|0,0,0]=2 227 B9R0.45 CCCCCCCCCC CHEBI:41808 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.45 CCCCCCCCCO CHEBI:35986 [0,2,0,0,0,0|0,0,2]=4 229 B9R0.45 CCCCCCCCOO CHEBI:25644 [0,2,0,0,0,0|0,0,2]=4 230 B9R0.45 CCCCCC\C=C\C=O CHEBI:61726 [0,2,0,0,0,0|0,0,0]=2 231 B9R0.45 CC\C=C/CC\C=C\C=O CHEBI:7610 [0,2,0,0,0,0|0,0,2]=4 232 B9R0.45 CSCCCCC\C=N\O CHEBI:50701 [0,2,0,0,0,0|0,0,1]=3 233 B9R0.46 CCCCCCC(CO)O CHEBI:34056 [0,2,0,0,0,0|0,0,2]=4 234 B9R0.46 CCCCCC[C@@H](CO)O CHEBI:37873 [0,2,0,0,0,0|0,0,2]=4 235 B9R0.46 CCCCCC[C@H](CO)O CHEBI:37874 [0,2,0,0,0,0|0,0,2]=4 236 B9R0.46 CCCCCOC(=O)CC CHEBI:87373 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.46 CCCC[SnH2]CC(CC)O CHEBI:22841 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.46 CC[C@H](C)CCCCCO CHEBI:83010 [0,2,0,0,0,0|0,0,2]=4 239 B9R0.1 CC(C)CCCC(C)CO CHEBI:83104 [0,2,0,0,0,0|0,0,2]=4 240 B9R0.1 COC(=O)CCCC(=O)O CHEBI:86396 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.1 C[C@@H](CCCC(C)C)CO CHEBI:83008 [0,2,0,0,0,0|0,0,2]=4 242 B9R0.1 C[C@H](CCCC(C)C)CO CHEBI:83009 [0,2,0,0,0,0|0,0,2]=4 243 B9R0.24 [C@@H2]([C@@H2][C@@H](N)C=O)[C@H](O)CN CHEBI:32573 [0,2,0,0,0,0|1,0,0]=3 244 B9R0.47 C(CC=O)CC(C(=O)O)N CHEBI:17027 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.47 C(CC=O)CC(C(=O)[O-])[NH3+] CHEBI:57988 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.47 C(CC=O)C[C@@H](C(=O)O)N CHEBI:17917 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.47 C(CC=O)C[C@@H](C(=O)[O-])[NH3+] CHEBI:58321 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.47 C(CCN)CC(=O)C(=O)O CHEBI:17534 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.47 C(CCN)CC(C(=O)O)N CHEBI:25094 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.47 C(CCN)CC(C(=O)[O-])N CHEBI:32563 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.47 C(CCN)C[C@@H](C(=O)N)N CHEBI:6263 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.47 C(CCN)C[C@@H](C(=O)O)N CHEBI:18019 [0,2,0,0,0,0|1,0,0]=3 253 B9R0.47 C(CCN)C[C@@H](C(=O)O)N CHEBI:53633 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])N CHEBI:32550 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.47 C(CCN)C[C@@H](C(=O)[O-])[NH3+] CHEBI:133538 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.47 C(CCN)C[C@H](C(=O)O)N CHEBI:16855 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.47 C(CCN)C[C@H](C(=O)O)N CHEBI:53558 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.47 C(CCN)C[C@H](C(=O)[O-])N CHEBI:32556 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.47 C(CCO)CC(=O)C(=O)O CHEBI:28028 [0,2,0,0,0,0|1,0,1]=4 260 B9R0.47 C(CC[NH3+])CC(=O)C(=O)[O-] CHEBI:58183 [0,2,0,0,0,0|1,0,1]=4 261 B9R0.47 C(CC[NH3+])CC(C(=O)O)[NH3+] CHEBI:32565 [0,2,0,0,0,0|1,0,0]=3 262 B9R0.47 C(CC[NH3+])CC(C(=O)[O-])[NH3+] CHEBI:32564 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)[NH3+] CHEBI:32552 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] CHEBI:32551 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.47 C(CC[NH3+])C[C@H](C(=O)O)[NH3+] CHEBI:32558 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.47 C(CC[NH3+])C[C@H](C(=O)[O-])[NH3+] CHEBI:32557 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.47 C(COC[C@@H](C(=O)O)N)N CHEBI:72341 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.47 C(CSC[C@@H](C(=O)O)N)N CHEBI:497734 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.47 C(C[C@@H](C(=O)O)N)CNO CHEBI:79095 [0,2,0,0,0,0|2,0,0]=4 270 B9R0.47 C(C[C@@H](C(=O)[O-])[NH3+])CNO CHEBI:78275 [0,2,0,0,0,0|2,0,0]=4 271 B9R0.47 CC(C(=O)O)OCCOC CHEBI:67255 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.47 CCCCCC(C(=O)O)N CHEBI:64304 [0,2,0,0,0,0|0,0,0]=2 273 B9R0.47 CCCCCC(C(=O)O)O CHEBI:73752 [0,2,0,0,0,0|0,0,0]=2 274 B9R0.47 CCCCCC(C(=O)[O-])[NH3+] CHEBI:133223 [0,2,0,0,0,0|0,0,0]=2 275 B9R0.47 CCCCC[C@@H](C(=O)O)N CHEBI:40682 [0,2,0,0,0,0|0,0,0]=2 276 B9R0.47 CCCCC[C@H](C(=O)O)N CHEBI:73738 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.47 CCSCCC(C(=O)O)N CHEBI:68662 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.47 CCSCC[C@@H](C(=O)O)N CHEBI:4886 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.47 CCSCC[C@H](C(=O)O)N CHEBI:68663 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.47 CSCCCC(=O)C(=O)O CHEBI:50260 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.47 CSCCCC(=O)C(=O)[O-] CHEBI:58815 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.47 CSCCCC(C(=O)O)N CHEBI:50707 [0,2,0,0,0,0|1,0,0]=3 283 B9R0.47 CSCCCC(C(=O)[O-])N CHEBI:62936 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.47 CSCCC[C@@H](C(=O)O)N CHEBI:50708 [0,2,0,0,0,0|1,0,0]=3 285 B9R0.47 CSCCC[C@H](C(=O)O)N CHEBI:50709 [0,2,0,0,0,0|1,0,0]=3 286 B9R0.55 C(CCC(=O)O)CC(=O)N CHEBI:59042 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.55 C(CCC(=O)O)CC(=O)O CHEBI:30832 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.55 C(CCC(=O)[O-])CC(=O)O CHEBI:30833 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] CHEBI:17128 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.55 CC(=O)NCCCC(=O)O CHEBI:17645 [0,2,0,0,0,0|1,0,1]=4 291 B9R0.55 CC(=O)NCCCC(=O)[O-] CHEBI:11951 [0,2,0,0,0,0|1,0,1]=4 292 B9R0.55 CC(CCCCC(=O)O)O CHEBI:78774 [0,2,0,0,0,0|0,0,0]=2 293 B9R0.55 C[C@@H](CCCCC(=O)O)O CHEBI:78781 [0,2,0,0,0,0|0,0,0]=2 294 B9R0.55 C[C@H](CCCCC(=O)O)O CHEBI:78775 [0,2,0,0,0,0|0,0,0]=2 295 B9R0.55 C[C@H](CC\C=C\C(=O)O)O CHEBI:78831 [0,2,0,0,0,0|0,0,2]=4 296 B7R1.1 C1CC(NC1)CN CHEBI:50468 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.1 C1CC(NC1)CO CHEBI:59652 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.1 C1C[C@@H](NC1)CN CHEBI:50470 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.1 C1C[C@@H](NC1)CO CHEBI:84258 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.1 C1C[C@H](NC1)CN CHEBI:44632 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 C1CC(=O)CC=C1 CHEBI:48952 [1,0,0,1,0,0|0,0,2]=4 302 B7R1.3 C1CC=CC(=O)C1 CHEBI:15977 [1,0,0,1,0,0|0,0,2]=4 303 B7R1.3 C1CCC(=O)CC1 CHEBI:17854 [1,0,0,1,0,0|0,0,0]=2 304 B7R1.3 C1CCC(CC1)Cl CHEBI:39156 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.3 C1CCC(CC1)N CHEBI:15773 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.3 C1CCC(CC1)O CHEBI:18099 [1,0,0,1,0,0|0,0,1]=3 307 B7R1.3 C1CCC(CC1)[NH3+] CHEBI:42939 [1,0,0,1,0,0|1,0,0]=3 308 B7R1.3 C1CCNC(=O)C1 CHEBI:77761 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.3 C1CCOC(=O)C1 CHEBI:16545 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.4 C1COC(=O)C1N CHEBI:17289 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 C1COC(=O)C1[NH3+] CHEBI:58093 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 C1COC(=O)[C@@H]1N CHEBI:30657 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.4 C1COC(=O)[C@H]1N CHEBI:30655 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.4 C1COC(=O)[C@H]1[NH3+] CHEBI:58633 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.4 C1CSC(=O)[C@H]1N CHEBI:60315 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.4 CC1C(=O)CCS1 CHEBI:87506 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.4 CN1CCCC1=O CHEBI:7307 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.5 CCC[C@H]1[C@H](O1)C CHEBI:84216 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.24 C1CCCNCC1 CHEBI:32616 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.24 C1CCCOCC1 CHEBI:49106 [1,0,0,1,0,0|0,0,1]=3 321 B9R1.7 CCOC1CCC(=O)O1 CHEBI:87307 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.8 C1CCC(CC1)N=C=O CHEBI:136604 [0,1,0,1,0,0|0,0,1]=3 323 B9R1.8 C1CCC(CC1)NC=O CHEBI:17945 [0,1,0,1,0,0|0,0,0]=2 324 B9R1.8 C1CCN(CC1)CCO CHEBI:61238 [0,1,0,1,0,0|0,0,2]=4 325 B9R1.8 CCC[C@H]1CCCCN1 CHEBI:28322 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.12 CCCCC1CCCO1 CHEBI:39028 [0,1,0,1,0,0|0,0,2]=4 327 B9R1.27 CCN1C(=O)CCC1=O CHEBI:44348 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.48 C1CCC(=O)OC(C1)O CHEBI:17075 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.5 C1CCNC(=O)C(C1)N CHEBI:19471 [0,1,0,1,0,0|1,0,0]=3 330 B9R1.5 C1CCNC(=O)[C@@H](C1)N CHEBI:29090 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.5 C1CCNC(=O)[C@@H](C1)[NH3+] CHEBI:58609 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.5 C1CCNC(=O)[C@H](C1)N CHEBI:17342 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.5 C1CCNC(=O)[C@H](C1)[NH3+] CHEBI:58113 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.5 C1CCOC(=O)C(C1)O CHEBI:31046 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.5 CC1CCCCOC1=O CHEBI:663 [0,1,0,1,0,0|0,0,0]=2 336 B9R1.16 C=CCCCC1CC1=C CHEBI:131418 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.103 C1CCCC#CCCC1 CHEBI:37816 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.6 C1CC(CNC1)C(=O)N CHEBI:60116 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.6 C1CC(CNC1)C(=O)O CHEBI:116931 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.6 C1CC=NC(C1)C(=O)O CHEBI:49015 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.6 C1CC=NC(C1)C(=O)[O-] CHEBI:16987 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.6 C1CC=N[C@@H](C1)C(=O)O CHEBI:49014 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.6 C1CC=N[C@@H](C1)C(=O)[O-] CHEBI:58769 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.6 C1CCC(CC1)C(=O)O CHEBI:36096 [0,1,0,1,0,0|0,0,0]=2 345 B9R1.6 C1CCC(CC1)C(=O)[O-] CHEBI:27804 [0,1,0,1,0,0|0,0,0]=2 346 B9R1.6 C1CCC(CC1)[N+](=O)[O-] CHEBI:74164 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.6 C1CCN=C(C1)C(=O)O CHEBI:30912 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.6 C1CCN=C(C1)C(=O)[O-] CHEBI:16187 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.6 C1CCNC(C1)C(=O)O CHEBI:17964 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.6 C1CCNC(C1)C(=O)[O-] CHEBI:36110 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.6 C1CCN[C@@H](C1)C(=O)O CHEBI:30913 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.6 C1CCN[C@@H](C1)C(=O)[O-] CHEBI:30633 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.6 C1CCN[C@H](C1)C(=O)O CHEBI:41582 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.6 C1CCN[C@H](C1)C(=O)[O-] CHEBI:18703 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.6 C1CC[NH+]=C(C1)C(=O)[O-] CHEBI:77631 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.6 C1CC[NH2+][C@@H](C1)C(=O)[O-] CHEBI:61185 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.6 C1CN(CCN1)C(=O)O CHEBI:41221 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.6 C1CNC[C@@H]([NH2+]1)C(=O)[O-] CHEBI:58917 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.6 C1CNC[C@H]([NH2+]1)C(=O)[O-] CHEBI:58920 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.6 C1CN[C@@H](CN1)C(=O)N CHEBI:55391 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.6 C1CN[C@@H](CN1)C(=O)O CHEBI:55392 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.6 C1CN[C@@H](CN1)C(=O)[O-] CHEBI:55393 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.6 C1CN[C@@H](C[NH2+]1)C(=O)N CHEBI:58919 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.6 C1CN[C@H](CN1)C(=O)N CHEBI:55356 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.6 C1CN[C@H](CN1)C(=O)O CHEBI:55357 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.6 C1CN[C@H](CN1)C(=O)[O-] CHEBI:55358 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.6 C1CN[C@H](C[NH2+]1)C(=O)N CHEBI:58916 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.6 C1CSC(CN1)C(=O)O CHEBI:36396 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.6 C1CSCC(N1)C(=O)O CHEBI:17195 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.6 C1CSCC(N1)C(=O)[O-] CHEBI:15237 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.6 C1CSCC([NH2+]1)C(=O)[O-] CHEBI:58047 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.6 C1CSC[C@@H](N1)C(=O)O CHEBI:36395 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.6 C1CSC[C@H](N1)C(=O)O CHEBI:36394 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.6 C1C[C@@H](CNC1)C(=O)N CHEBI:60115 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.6 C1C[C@@H](CNC1)C(=O)O CHEBI:222169 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.6 C1C[C@H](CNC1)C(=O)N CHEBI:60113 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.6 C1C[C@H](CNC1)C(=O)O CHEBI:221278 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.6 C1C[C@H](C[NH2+]C1)C(=O)N CHEBI:60118 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.6 C1C[C@H](C[NH2+]C1)C(=O)[O-] CHEBI:60120 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.6 CC(=O)C1=NCCCC1 CHEBI:59533 [0,1,0,1,0,0|1,0,1]=4 381 B9R1.6 CC(=O)N1CCCCC1 CHEBI:36591 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.6 CN(C)C1CCCCC1 CHEBI:59022 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.41 C1CNC(C1O)C(=O)O CHEBI:64368 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.41 C1CN[C@@H](C1O)C(=O)O CHEBI:20056 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.41 C1CN[C@@H]([C@@H]1O)C(=O)O CHEBI:55479 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O CHEBI:16889 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.41 C1CN[C@H]([C@@H]1O)C(=O)O CHEBI:70756 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.41 C1CN[C@H]([C@H]1O)C(=O)O CHEBI:88157 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.41 C1C[NH2+][C@@H]([C@@H]1O)C(=O)[O-] CHEBI:60041 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.41 C1C[NH2+][C@@H]([C@H]1O)C(=O)[O-] CHEBI:57938 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.41 C1C[NH2+][C@H]([C@H]1O)C(=O)[O-] CHEBI:87840 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.41 CN1CCC[C@H]1C(=O)O CHEBI:90344 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.41 C[NH+]1CCC[C@H]1C(=O)[O-] CHEBI:133743 [0,1,0,1,0,0|1,0,0]=3 394 B9R2.3 C1CC2CC=CC2C1 CHEBI:77361 [0,0,0,2,0,0|1,0,0]=3 395 B9R2.3 C1CC2CCCN2C1 CHEBI:64950 [0,0,0,2,0,0|1,0,1]=4 396 B9R2.7 C1CS[C@H]2N1C(=O)C2 CHEBI:35991 [0,0,0,2,0,0|2,0,0]=4