0 B5R0.3 O=C[C@H](O)CO DB02536 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 OC[C@@H](O)CS DB03864 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,2]=4 5 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,1]=2 7 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,1]=4 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|1,0,1]=3 18 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 C=C[C@@H]([NH3+])C(=O)[O-] DB01804 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 C=C[C@H](N)C(=O)O DB03214 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [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|0,0,0]=2 40 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 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|1,0,0]=3 46 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 C=C(Br)CCO DB04592 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,1]=3 51 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,1]=3 53 B5R0.1 C\C=C\C(=O)O DB02074 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.4 C=CS(=O)(=O)O DB04359 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.5 C=C(N)C(=O)O DB02688 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,1]=3 62 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|0,0,1]=3 66 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,1]=3 67 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|0,0,2]=4 73 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.3 [C@@H](N)(C=O)CCCC DB03241 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|2,0,0]=4 92 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|0,0,2]=4 93 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|2,0,0]=4