0 B5R0.3 O=C(CO)CO DB01775 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 O=C[C@H](O)CO DB02536 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 OC[C@@H](O)CS DB03864 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 C=C(Br)CO DB04320 [1,0,0,0,0,0|1,0,2]=4 4 B4R0.1 CCC(N)=O DB04161 [1,0,0,0,0,0|1,0,2]=4 5 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,0]=1 6 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 O=C(O)CBr DB02198 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.2 OCCCO DB02774 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 OC[C@@H](O)CSO DB01684 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.3 CCC(=O)C(=O)O DB04553 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [0,1,0,0,0,0|0,0,1]=2 23 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.3 N[C@H](CS)C(=O)O DB03201 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [0,1,0,0,0,0|2,0,1]=4 31 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2 33 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.1 ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.1 NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 NCCO DB03994 [2,0,0,0,0,0|1,0,0]=3 38 B3R0.1 OCCS DB03345 [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 CC(=O)CCO DB04094 [1,1,0,0,0,0|0,0,2]=4 41 B5R0.1 CC(C)CCO DB02296 [1,1,0,0,0,0|0,0,0]=2 42 B5R0.1 CC(O)CCO DB14110 [1,1,0,0,0,0|0,0,0]=2 43 B5R0.1 CCCC(=O)O DB03568 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 CN(C)CCO DB13352 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CSC[S@](C)=O DB02311 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 C[C@H](O)CCO DB02202 [1,1,0,0,0,0|0,0,0]=2 47 B5R0.1 NCCC(=O)O DB03107 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 O=C(O)CCO DB03688 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.4 CCS(=O)(=O)O DB03635 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|0,1,0]=3 52 B5R0.4 OCC(F)(F)F DB03226 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|0,0,1]=3 54 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|0,0,1]=3 55 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,1]=3 56 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|0,0,0]=2 59 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|0,0,1]=3 60 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,0]=2 62 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.2 NCCCCN DB01917 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.2 OCCCCO DB01955 [1,1,0,0,0,0|0,0,0]=2 65 B5R0.2 [C-]#[N+]CCCC DB01826 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.2 [NH3+]CCCCO DB02541 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.3 CCCCC(O)CO DB14108 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.10 OC[C@H](O)[C@@H](O)CO DB03278 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.10 OC[C@H](O)[C@H](O)CO DB04481 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.10 O[C@@H](CS)[C@@H](O)CS DB04447 [0,2,0,0,0,0|1,1,0]=4 77 B7R0.10 O[C@H](CS)[C@H](O)CS DB02184 [0,2,0,0,0,0|1,1,0]=4 78 B7R0.10 [C@@H](O)(CS)[C@@H](O)CS DB01692 [0,2,0,0,0,0|1,1,0]=4 79 B7R0.11 [C-]#[N+]CC(C)(C)OC DB14106 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [0,2,0,0,0,0|0,0,1]=3 81 B7R0.13 [C@H](C)(O)[C@@](C)(O)CN DB02847 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.18 C[N+](CO)(CO)CO DB03570 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.3 OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.3 [NH3+]C1CCCCC1 DB02995 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.19 NC1(C(=O)O)CC1 DB02085 [0,1,0,1,0,0|1,0,1]=4