0 B5R0.1 CC(=O)CCO DB04094 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.1 CC(O)CCO DB14110 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CSC[S@](C)=O DB02311 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,2]=3 18 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|0,0,0]=1 26 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.2 CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.2 NC(=O)CC(=O)O DB02649 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.2 O=C(O)CC(=O)O DB02175 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|0,0,2]=3 33 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.5 CC(C)(C)OC=O DB02768 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.5 C[N+](C)(C)CC=O DB04401 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.5 C[N+](C)(C)CCS DB01803 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.5 O=CCP(=O)(O)O DB03174 [0,1,0,0,0,0|3,0,0]=4 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|0,0,1]=3 40 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 41 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 44 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 45 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,1]=4 46 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,1]=4 47 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,1]=4 48 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 OC[C@@H](O)CS DB03864 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|0,1,1]=4 54 B5R0.4 O=CC(Cl)(Cl)Cl DB02650 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,0]=2 60 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,0]=2 64 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,2]=4 66 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,0,2]=4 71 B7R0.2 CC(C)NC(=N)NO DB02143 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.11 [C-]#[N+]CC(C)(C)OC DB14106 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.9 CC(C)OP(=O)(O)O DB03976 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,2,0,0,0,0|0,0,2]=4 77 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,2,0,0,0,0|1,0,1]=4 79 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|0,0,1]=3 80 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|1,0,0]=3 81 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|0,0,0]=2 88 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4