0 B6R0.6 C(C#N)NCC#N CHEBI:71189 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C(CCN)CCN CHEBI:18127 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C(CCN)CCN CHEBI:64701 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 C(CCNO)CN CHEBI:50435 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 C(CC[NH3+])CC[NH3+] CHEBI:58384 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 C(CCl)NCCCl CHEBI:37599 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 C(CCl)SCCCl CHEBI:25434 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 C(CNCCN)N CHEBI:30629 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 C(CNCCN)N CHEBI:3814 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 C(CNCCN)N CHEBI:59602 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 C(CO)NCCO CHEBI:28123 [0,0,0,0,0,0|0,0,0]=0 11 B6R0.6 C(CO)[NH2+]CCO CHEBI:63877 [0,0,0,0,0,0|0,0,1]=1 12 B6R0.6 C(COCCN)N CHEBI:53541 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 C(COCCO)O CHEBI:46807 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.6 C(CSCCO)O CHEBI:75184 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.6 CCCCCC=O CHEBI:88528 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 CCCCCCC CHEBI:43098 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 CCCCCCN CHEBI:5712 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 CCCCCCO CHEBI:87393 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.6 CCOCCCO CHEBI:87489 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 CC\C=C/CCO CHEBI:28857 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 CNCCCCN CHEBI:17166 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.6 C[NH2+]CCCC[NH3+] CHEBI:58039 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.2 C(C#CCO)O CHEBI:16413 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.2 C(CC=O)CN CHEBI:17769 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 C(CCCl)CO CHEBI:87310 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.2 C(CCN)CN CHEBI:17148 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 C(CCO)CO CHEBI:41189 [1,0,0,0,0,0|0,0,0]=1 29 B5R0.2 C(CC[NH3+])C[NH3+] CHEBI:326268 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 CCCCC=C CHEBI:24579 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CCCCC=O CHEBI:84069 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 CCCCCC CHEBI:29021 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.2 CCCCCN CHEBI:74848 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 CCCCCO CHEBI:44884 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.2 CCCCNC CHEBI:59019 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CCC\C=N\O CHEBI:59012 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CCOCCO CHEBI:46788 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.2 CCOOCC CHEBI:35929 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 CCSCCS CHEBI:38625 [1,0,0,0,0,0|1,1,0]=3 40 B5R0.2 CSCCCN CHEBI:16696 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 CSCCCO CHEBI:49019 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CSCCC[NH3+] CHEBI:57866 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.1 C(CCCN)CCN CHEBI:39618 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.1 C(CCCO)CCO CHEBI:43078 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.1 C(CCN)CCNO CHEBI:50440 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.1 C(CN)CNCCS CHEBI:72583 [0,1,0,0,0,0|1,1,0]=3 47 B7R0.1 C(CO)CSCCO CHEBI:87679 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.1 C(CSSCCN)N CHEBI:78757 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.1 C(CSSCCO)O CHEBI:43136 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.1 CCCCCCC=C CHEBI:46708 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.1 CCCCCCCC CHEBI:17590 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.1 CCCCOCCO CHEBI:63921 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.1 CCCSSCCC CHEBI:45758 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.1 COCCOCCO CHEBI:44836 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.4 C(C#N)NCC(=O)O CHEBI:71209 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.4 CCCCCC(=O)O CHEBI:30776 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.4 CCCCC[C@H](C)O CHEBI:87378 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.7 C(CO)C(CCO)O CHEBI:131187 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.7 CCCC(C)CCC CHEBI:67193 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.7 CCCC(CCO)S CHEBI:77690 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.7 CN(CCCl)CCCl CHEBI:28925 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.7 CN(CCCl)CCCl CHEBI:55368 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 C1CC(NC1)CN CHEBI:50468 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.1 C1CC(NC1)CO CHEBI:59652 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.1 C1CN=C(N1)CCl CHEBI:53552 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 C1CN=C(N1)CCl CHEBI:53553 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 C1C[C@@H](NC1)CN CHEBI:50470 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.1 C1C[C@@H](NC1)CO CHEBI:84258 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.1 C1C[C@H](NC1)CN CHEBI:44632 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.3 C1CCC(CC1)Cl CHEBI:39156 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.3 C1CCC(CC1)N CHEBI:15773 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 C1CCC(CC1)O CHEBI:18099 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.3 C1CCC(CC1)[NH3+] CHEBI:42939 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.3 C1CCOC(=O)C1 CHEBI:16545 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.24 C1CCCNCC1 CHEBI:32616 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.24 C1CCCOCC1 CHEBI:49106 [0,0,0,1,0,0|2,0,0]=3 81 B4R0.2 C#CCCO CHEBI:27444 [2,0,0,0,0,0|0,0,2]=4 82 B4R0.2 C(CN)CN CHEBI:15725 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 C(CN)CN CHEBI:35411 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.2 C(CN)CS CHEBI:38933 [2,0,0,0,0,0|1,1,0]=4 85 B4R0.2 C(CO)C=O CHEBI:17871 [2,0,0,0,0,0|0,0,2]=4 86 B4R0.2 C(CO)CO CHEBI:16109 [2,0,0,0,0,0|0,0,0]=2 87 B4R0.2 C(CO)NN CHEBI:50098 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.2 C(CS)CS CHEBI:44864 [2,0,0,0,0,0|0,2,0]=4 89 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:57484 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:70977 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.2 C(NCS)S CHEBI:32670 [2,0,0,0,0,0|0,2,0]=4 92 B4R0.2 C(NC[S-])[S-] CHEBI:32671 [2,0,0,0,0,0|0,2,0]=4 93 B4R0.2 CCCC#N CHEBI:51937 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.2 CCCC=O CHEBI:15743 [2,0,0,0,0,0|0,0,2]=4 95 B4R0.2 CCCCC CHEBI:37830 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 CCCCN CHEBI:43799 [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 CCCCO CHEBI:28885 [2,0,0,0,0,0|0,0,0]=2 98 B4R0.2 CCCC[SnH3] CHEBI:22966 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.2 CCCSO CHEBI:91018 [2,0,0,0,0,0|1,0,0]=3 100 B4R0.2 CCNCC CHEBI:85259 [2,0,0,0,0,0|0,0,0]=2 101 B4R0.2 CCOCC CHEBI:35702 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.2 CCSCC CHEBI:27710 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.2 CCSCS CHEBI:38829 [2,0,0,0,0,0|1,1,0]=4 104 B4R0.2 CC[NH2+]CC CHEBI:132181 [2,0,0,0,0,0|0,0,1]=3 105 B4R0.2 CC[Zn]CC CHEBI:51496 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.2 CNCCO CHEBI:21763 [2,0,0,0,0,0|0,0,0]=2 107 B4R0.2 COCCO CHEBI:46790 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.2 CSCCO CHEBI:63861 [2,0,0,0,0,0|1,0,0]=3 109 B4R0.2 C\C=C\CO CHEBI:62891 [2,0,0,0,0,0|0,0,2]=4 110 B4R0.2 [Li]CCCC CHEBI:51469 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.1 C(CO)C(CO)O CHEBI:88063 [1,1,0,0,0,0|0,0,0]=2 112 B6R0.1 C=C(CCO)CO CHEBI:131368 [1,1,0,0,0,0|0,0,1]=3 113 B6R0.1 CCC(C)CCO CHEBI:87381 [1,1,0,0,0,0|1,0,0]=3 114 B6R0.1 CCS(=O)CCO CHEBI:38736 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,1,0,0,0,0|0,0,1]=3 117 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [1,1,0,0,0,0|0,0,2]=4 118 B6R0.4 C(C[N+](=O)[O-])CO CHEBI:49042 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.4 CC(=O)NCCO CHEBI:74687 [1,1,0,0,0,0|0,0,1]=3 120 B6R0.4 CC(=O)NCCS CHEBI:74410 [1,1,0,0,0,0|0,1,1]=4 121 B6R0.4 CC(C)CCCO CHEBI:63910 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.4 CC(C)NCCN CHEBI:84288 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,1,0,0,0,0|0,0,1]=3 125 B6R0.4 [*]C(=O)NCCO CHEBI:85281 [1,1,0,0,0,0|0,0,2]=4 126 B8R0.1 CCCC(=O)NCCO CHEBI:85304 [0,2,0,0,0,0|1,0,0]=3 127 B8R0.4 C(CCNCCN)CN CHEBI:44736 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.4 C(CN)CNCCCN CHEBI:16841 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.4 CCCCCCCCO CHEBI:16188 [0,2,0,0,0,0|2,0,0]=4 130 B8R0.4 CCOCCOCCO CHEBI:40572 [0,2,0,0,0,0|1,0,0]=3 131 B8R0.4 COCCOCCOC CHEBI:46784 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.6 CCCCCC(C=C)O CHEBI:34118 [0,2,0,0,0,0|2,0,0]=4 133 B8R0.6 CCCCCC(CC)O CHEBI:80945 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.6 CCCCC[C@@H](C=C)O CHEBI:46735 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.6 CCCCC[C@H](C=C)O CHEBI:39932 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.6 CCCOCC(=O)CO CHEBI:37553 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.7 C(CCC(=O)O)CCBr CHEBI:60700 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.7 C(CCC(=O)O)CCN CHEBI:16586 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.7 C(CCC(=O)O)CCN CHEBI:79212 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.7 C(CCC(=O)O)CCO CHEBI:17869 [0,2,0,0,0,0|1,0,0]=3 141 B8R0.7 C(CCC(=O)[O-])CCO CHEBI:32383 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.7 C(CO)\C=C\CC(=O)O CHEBI:49293 [0,2,0,0,0,0|1,0,1]=4 143 B8R0.7 CC(CCCCC=C)O CHEBI:87586 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.7 CC(COCCOC)N CHEBI:63044 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.7 CCCCCCC(=O)O CHEBI:45571 [0,2,0,0,0,0|2,0,0]=4 146 B8R0.7 CCCCCCC(C)O CHEBI:37869 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.7 CCCCCC[C@@H](C)O CHEBI:37871 [0,2,0,0,0,0|2,0,0]=4 148 B8R0.7 CCCCCC[C@H](C)O CHEBI:37870 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.9 CC(CO)OCC(C)O CHEBI:53262 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.11 CCCCC(CC)CO CHEBI:16011 [0,2,0,0,0,0|2,0,0]=4 151 B8R0.19 C(C(CO)O)C(CO)O CHEBI:111506 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.28 C(C(=O)O)NCC(=O)O CHEBI:24786 [0,2,0,0,0,0|0,0,2]=4 153 B8R0.28 CC(CCCC(=O)O)O CHEBI:131434 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.28 C[C@H](CCCC(=O)O)O CHEBI:78842 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.22 CCCN(CCC)C=O CHEBI:88185 [0,2,0,0,0,0|2,0,0]=4 156 B8R0.22 CCN(CCO)CCCl CHEBI:131420 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.22 CCN(CCO)CCO CHEBI:132187 [0,2,0,0,0,0|0,0,0]=2 158 B6R1.1 C1CCC=CC1 CHEBI:36404 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.1 C1CCCCC1 CHEBI:29005 [1,0,0,1,0,0|2,0,0]=4 160 B6R1.1 C1CCN=CC1 CHEBI:47858 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.1 C1CCNCC1 CHEBI:18049 [1,0,0,1,0,0|1,0,0]=3 162 B6R1.1 C1CCOCC1 CHEBI:46941 [1,0,0,1,0,0|1,0,0]=3 163 B6R1.1 C1CCOOC1 CHEBI:48426 [1,0,0,1,0,0|0,0,0]=2 164 B6R1.1 C1CCSSC1 CHEBI:47844 [1,0,0,1,0,0|0,2,0]=4 165 B6R1.1 C1CC[NH2+]CC1 CHEBI:589779 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.1 C1CNCC=C1 CHEBI:47860 [1,0,0,1,0,0|1,0,1]=4 167 B6R1.1 C1CNCCN1 CHEBI:28568 [1,0,0,1,0,0|1,0,0]=3 168 B6R1.1 C1CNNCN1 CHEBI:38041 [1,0,0,1,0,0|2,0,0]=4 169 B6R1.1 C1COCCN1 CHEBI:34856 [1,0,0,1,0,0|0,0,0]=2 170 B6R1.1 C1COCCO1 CHEBI:47032 [1,0,0,1,0,0|1,0,0]=3 171 B6R1.1 C1COCOC1 CHEBI:46924 [1,0,0,1,0,0|2,0,0]=4 172 B6R1.1 C1COCSC1 CHEBI:87341 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.1 C1CSCCN1 CHEBI:36392 [1,0,0,1,0,0|0,1,0]=3 174 B6R1.1 C1CSCCS1 CHEBI:540 [1,0,0,1,0,0|1,1,0]=4 175 B6R1.2 C1CC(=O)OC1 CHEBI:42639 [1,0,0,1,0,0|0,0,2]=4 176 B6R1.2 C1CC(OC1)O CHEBI:19662 [1,0,0,1,0,0|0,0,0]=2 177 B6R1.2 C1CCC(C1)O CHEBI:16133 [1,0,0,1,0,0|1,0,0]=3 178 B6R1.2 C1COC(=O)N1 CHEBI:1237 [1,0,0,1,0,0|0,0,2]=4 179 B6R1.2 CC1=CCCO1 CHEBI:51677 [1,0,0,1,0,0|1,0,1]=4 180 B6R1.2 CC1=NCCO1 CHEBI:53614 [1,0,0,1,0,0|0,0,2]=4 181 B6R1.2 C[C@@H]1CCCN1 CHEBI:78858 [1,0,0,1,0,0|1,0,0]=3 182 B6R1.2 C[C@@H]1CCC[NH2+]1 CHEBI:78222 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.5 C1CCC(=O)C(C1)O CHEBI:17878 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.5 C1CCC(C(C1)O)O CHEBI:24567 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O CHEBI:32329 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.5 C1CC[C@H]([C@@H](C1)O)O CHEBI:16931 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.5 C1[C@@H]([C@H](CSS1)O)O CHEBI:42147 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.5 C1[C@H]([C@@H](CSS1)O)O CHEBI:41837 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.5 C1[C@H]([C@H](CSS1)O)O CHEBI:28059 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.8 C1CCN(C1)CCO CHEBI:48293 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.8 C1CC[NH+](C1)CCO CHEBI:48312 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.8 COC[C@@H]1CCCN1 CHEBI:131426 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.22 C1CCC(=O)OCC1 CHEBI:17915 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.49 C1CCCNCCC1 CHEBI:38792 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.50 C1C(C(C(O1)O)O)O CHEBI:132185 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.50 C1[C@@H]([C@H](C(=O)O1)O)O CHEBI:71176 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.50 C1[C@H]([C@@H](C(=O)O1)O)O CHEBI:87770 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O CHEBI:87625 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.4 C1CC(CC(=O)C1)O CHEBI:17611 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.7 C1CC(NC1)C(=O)O CHEBI:26271 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.7 C1CC(OC1)C(Cl)Cl CHEBI:87308 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.7 C1C[C@@H](NC1)C(=O)O CHEBI:16313 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.7 C1C[C@H](NC1)C(=O)O CHEBI:17203 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.7 CC(C)C1OCCO1 CHEBI:87317 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.7 CC(C1CCCC1)O CHEBI:131340 [0,1,0,1,0,0|2,0,0]=4