0 B7R0.12 CCC(CC)CC=C CHEBI:87523 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.12 CCCN(CC)CC CHEBI:88180 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.12 CCN(CC)CCO CHEBI:52153 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.1 C(CO)C(CO)O CHEBI:88063 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 C=C(CCO)CO CHEBI:131368 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCC(C)CCO CHEBI:87381 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCS(=O)CCO CHEBI:38736 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.9 CCN(CC)CC CHEBI:35026 [1,0,0,0,0,0|0,0,0]=1 11 B6R0.9 CCN(CC)N=O CHEBI:34873 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.9 CCP(CC)CC CHEBI:39971 [1,0,0,0,0,0|0,1,0]=2 13 B6R0.9 CC[NH+](CC)CC CHEBI:45791 [1,0,0,0,0,0|0,0,1]=2 14 B8R0.11 CCCCC(CC)CO CHEBI:16011 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.20 CCN(CC)N(N=O)O CHEBI:77707 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.20 CCN(CC)N(N=O)O CHEBI:77714 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.20 CCN(CC)N(N=O)[O-] CHEBI:77713 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.22 CCCN(CCC)C=O CHEBI:88185 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.22 CCN(CCO)CCCl CHEBI:131420 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.22 CCN(CCO)CCO CHEBI:132187 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.31 CCCC(C)(CC)OC CHEBI:84286 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.2 C1CCN(CC1)N=O CHEBI:76324 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 C1COCCN1N=O CHEBI:76326 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.2 CCN1CCCCC1 CHEBI:39017 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.2 CNC1CCCCC1 CHEBI:59018 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 C1CCN(C1)CCO CHEBI:48293 [0,0,0,1,0,0|0,0,0]=1 27 B8R1.8 C1CC[NH+](C1)CCO CHEBI:48312 [0,0,0,1,0,0|0,0,1]=2 28 B5R0.1 CC(=C)CCO CHEBI:62898 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 CC(=CCO)C CHEBI:16019 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.1 CC(=O)CCO CHEBI:41268 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 CC(C)CCN CHEBI:43689 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CC(C)CCO CHEBI:15837 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 CC(C)CNO CHEBI:131928 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(CCO)O CHEBI:52683 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CN(C)CCCl CHEBI:78153 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.1 CN(C)CCCl CHEBI:78155 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CN(C)CCO CHEBI:271436 [2,0,0,0,0,0|0,0,0]=2 38 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 C[C@H](CCO)O CHEBI:52687 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 C[S+](C)CCO CHEBI:63035 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.2 C(CCCl)CO CHEBI:87310 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.2 C(CCO)CO CHEBI:41189 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 CCCCCC CHEBI:29021 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCCCCN CHEBI:74848 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 CCCCCO CHEBI:44884 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 CCOCCO CHEBI:46788 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 CCSCCS CHEBI:38625 [2,0,0,0,0,0|1,1,0]=4 49 B5R0.2 CSCCCO CHEBI:49019 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 CCC(=O)CC CHEBI:87755 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.3 CCC(C)CO CHEBI:48945 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.3 CCC(C)NC CHEBI:84267 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 CCC(CC)N CHEBI:84248 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 CCC(CC)O CHEBI:77519 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 CCC(CO)O CHEBI:52682 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 CC[C@H](C)CO CHEBI:50625 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.3 CC[C@H](CO)O CHEBI:52685 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 C(CO)C(CCO)O CHEBI:131187 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.7 CCCC(C)CCC CHEBI:67193 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.7 CCCC(CCO)S CHEBI:77690 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.7 CN(CCCl)CCCl CHEBI:28925 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.7 CN(CCCl)CCCl CHEBI:55368 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.11 CCCC(C)(C)CC CHEBI:132182 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.37 CCN(CC)C(=O)CC#N CHEBI:48386 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.17 C(CN(CCN)CCN)N CHEBI:30631 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.17 C(CO)N(CCO)CCO CHEBI:132753 [0,2,0,0,0,0|0,0,0]=2 70 B9R0.17 C(CO)N(CCO)CCO CHEBI:28621 [0,2,0,0,0,0|0,0,0]=2 71 B9R0.17 C(CO)[NH+](CCO)CCO CHEBI:132755 [0,2,0,0,0,0|0,0,1]=3 72 B9R0.17 C(CO)[NH+](CCO)CCO CHEBI:63960 [0,2,0,0,0,0|0,0,1]=3 73 B9R0.17 CCCN(CCC)CCC CHEBI:38880 [0,2,0,0,0,0|1,0,0]=3 74 B9R1.6 C1COCCN1S(=O)=O CHEBI:36583 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.6 CC(=O)N1CCCCC1 CHEBI:36591 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.8 C1CCN(CC1)CCO CHEBI:61238 [0,1,0,1,0,0|0,0,0]=2 77 B9R1.8 C1COCCN1CCO CHEBI:67144 [0,1,0,1,0,0|0,0,0]=2 78 B9R1.8 CCC[C@H]1CCCCN1 CHEBI:28322 [0,1,0,1,0,0|2,0,0]=4 79 B9R2.49 C1CN2CCC1CC2 CHEBI:38420 [0,0,0,2,0,0|1,0,0]=3 80 B9R2.3 C1CC2CCCN2C1 CHEBI:64950 [0,0,0,2,0,0|1,0,0]=3