0 B5R0.1 C=C(Br)CCO DB04592 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|0,1,0]=1 3 B5R0.1 CC(O)CCO DB14110 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.1 CCCC(=O)O DB03568 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CCCC(N)=O DB02121 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.1 CSC[S@](C)=O DB02311 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.1 NCCC(=O)O DB03107 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 O=C(O)CCO DB03688 [0,0,0,0,0,0|2,1,1]=4 11 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,1,1]=4 14 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,1,0]=3 16 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,1,0]=2 22 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|2,1,0]=4 26 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|0,1,1]=3 27 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.2 CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|0,1,0]=2 31 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,1,0]=3 33 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CCCOC(C)=O DB01670 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.5 CC(C)(C)OC=O DB02768 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.5 C[N+](C)(C)CC=O DB04401 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.5 C[N+](C)(C)CCS DB01803 [0,1,0,0,0,0|1,0,0]=2 38 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 39 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,1,0]=3 40 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,1,0]=4 41 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 42 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,1,0]=4 45 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|0,1,0]=3 49 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,1,1]=4 52 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,1,0]=3 54 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,1,0]=3 56 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|1,1,0]=4 57 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,1,0]=3 59 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,1,0]=3 61 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,2,0,0,0,0|1,1,0]=4 64 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,2,0,0,0,0|1,1,0]=4 65 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.11 [C-]#[N+]CC(C)(C)OC DB14106 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,2,0,0,0,0|0,1,0]=3 70 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|0,1,0]=3 72 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,1,0,1,0,0|2,0,0]=4