0 B7R0.18 C(C(CO)(CO)N)O 31801 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.18 C(C(CO)(CO)N)O A11379 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.18 C(C(CO)(CO)N)O A18494 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.18 CC(CCl)(CCl)CCl A17514 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.18 CC(CO)(CO)CO B24324 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.18 CCC(CC)(CC)O L03025 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.18 CCC(CO)(CO)N B24509 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.8 CC(C)(CN)CO L10429 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.8 CC(C)(CO)CO A10340 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.8 CCC(C)(C)CC 43706 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.9 CCC(CC)CBr H26445 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.9 CCC(CC)CN B20855 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.9 CCC(CC)CO B21026 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.9 CCC(CC)C[Zn+] H58054 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.10 C(C(CO)(CO)CO)O A10520 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.10 CCC(CO)(CO)CO A13084 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.36 C(C(CO)([N+](=O)[O-])Br)O A11639 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.36 CC(CO)(CO)C(=O)O L14014 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.36 CC(CO)(CO)[N+](=O)[O-] B25196 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.60 C1C(CO1)(CO)CBr H57413 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.60 CCC1(COC1)CO H53497 [0,0,0,1,0,0|2,0,0]=3 21 B5R0.3 C(C(CCl)Cl)O A18444 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.3 C(C(CCl)O)Cl A16003 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.3 C(C(CCl)O)F L17286 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.3 C(C(CCl)O)O A16143 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.3 C(C(CF)O)F L01646 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.3 C(C(CN)O)N A19618 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.3 C(C(CO)N)O B25419 [2,0,0,0,0,0|0,0,0]=2 28 B5R0.3 C(C(CO)N)O L08426 [2,0,0,0,0,0|0,0,0]=2 29 B5R0.3 C(C(CO)O)N B22672 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.3 C(C(CO)O)O 32450 [2,0,0,0,0,0|0,0,0]=2 31 B5R0.3 C(C(CO)O)O 36646 [2,0,0,0,0,0|0,0,0]=2 32 B5R0.3 C(C(CO)O)O 38988 [2,0,0,0,0,0|0,0,0]=2 33 B5R0.3 C(C(CO)O)O A16205 [2,0,0,0,0,0|0,0,0]=2 34 B5R0.3 C(C(CO)O)O J61059 [2,0,0,0,0,0|0,0,0]=2 35 B5R0.3 C(C(CO)O)O J62399 [2,0,0,0,0,0|0,0,0]=2 36 B5R0.3 C(C(CO)O)O J64719 [2,0,0,0,0,0|0,0,0]=2 37 B5R0.3 C(C(CS)O)O A18948 [2,0,0,0,0,0|0,1,0]=3 38 B5R0.3 C(C(CS)S)O L03953 [2,0,0,0,0,0|0,2,0]=4 39 B5R0.3 C([C@@H](CCl)O)O L18556 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.3 C([C@@H](CO)O)N H26743 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.3 C([C@H](CCl)O)O L18555 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.3 CCC(C)CBr H27078 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 CCC(C)CC L03133 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 CCC(C)CO B21825 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.3 CCC(C)CS B21949 [2,0,0,0,0,0|1,1,0]=4 46 B5R0.3 CCC(CC)N L02250 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 CCC(CC)O L06065 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CCC(CO)N B24398 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 CC[C@@H](CO)N L11449 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.3 CC[C@H](C)CN L14063 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 CC[C@H](CO)N B25212 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.4 CC(C)(C#C)N H53448 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.4 CC(C)(C)CBr L03579 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(C)CCl L02365 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.4 CC(C)(C)CO A14390 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.4 CC(C)(C)C[Mg+] H54879 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.4 CC(C)(C)OO A13926 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.4 CC(C)(CCl)Br A19974 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.4 CC(C)(CCl)O A18978 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(C)(CO)N A17814 [2,0,0,0,0,0|0,0,0]=2 61 B5R0.4 CCC(C)(C)C L03295 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 CCC(C)(C)Cl A11703 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.4 CCC(C)(C)N B24639 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.4 CCC(C)(C)O A18304 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.4 CCC(C)(C)[Mg+] H54824 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.4 CCC(C)(C)[O-] 36562 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.4 CCC(C)(C)[O-] 41203 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.4 CCC(C)(C)[O-] 41394 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.4 CCC(C)(C)[O-] L15111 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CCC(C)(C)[O-] L15112 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.4 CCC(C)(C)[Zn+] H58312 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.4 C[Si](C)(C)CO L04251 [2,0,0,0,0,0|1,1,0]=4 73 B7R0.13 CC(C)(CO)C(=O)O L12858 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.12 CCCC(CO)CO B22152 [1,1,0,0,0,0|1,0,0]=3 75 B9R0.78 C(C(CO)(CO)[N+](=O)[O-])O L13349 [0,2,0,0,0,0|0,0,1]=3 76 B7R1.25 CC1(COC1)CO B25111 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.29 C1CC1(CO)CO H56083 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.1 C1CCC(C1)CO A11595 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.1 C1CNCC1CO H57225 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 C1CNC[C@@H]1CO H57871 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 C1CNC[C@H]1CO H57199 [1,0,0,1,0,0|2,0,0]=4