0 B18R2.165926 CC1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:132171 [0,0,0,0,0,0|0,0,2]=2 1 B18R2.165926 Cc1c(=O)[nH]c(=O)n(n1)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:131580 [0,0,0,0,0,0|1,0,0]=1 2 B18R2.165926 Cc1cn(c(=O)[nH]c1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O CHEBI:63624 [0,0,0,0,0,0|0,0,0]=0 3 B18R2.165926 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:17748 [0,0,0,0,0,0|0,0,0]=0 4 B18R2.165926 Cc1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:47876 [0,0,0,0,0,0|1,0,1]=2 5 B18R2.165926 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)Br CHEBI:472552 [0,0,0,0,0,0|1,0,0]=1 6 B18R2.165926 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)F CHEBI:60761 [0,0,0,0,0,0|1,0,0]=1 7 B18R2.165926 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)I CHEBI:147675 [0,0,0,0,0,0|1,0,0]=1 8 B17R2.10947 c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:16450 [1,0,0,0,0,0|0,0,0]=1 9 B17R2.10947 c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:15698 [1,0,0,0,0,0|1,0,1]=3 10 B17R2.10947 c1nc(nc(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)N CHEBI:50131 [1,0,0,0,0,0|2,0,1]=4 11 B17R2.96300 Cc1cn(c(=O)[nH]c1=O)[C@H]2C=C[C@H](O2)CO CHEBI:63581 [1,0,0,0,0,0|0,0,2]=3 12 B19R2.279485 [3H]Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O CHEBI:53527 [0,1,0,0,0,0|0,0,0]=1 13 B19R2.279485 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)CO CHEBI:61288 [0,1,0,0,0,0|0,0,0]=1 14 B19R2.281043 C1[C@@H]([C@H](O[C@H]1n2c(c(c(=O)[nH]c2=O)O)O)CO)O CHEBI:132189 [0,1,0,0,0,0|1,0,0]=2 15 B19R2.3613666 Cc1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:45996 [0,1,0,0,0,0|0,0,0]=1 16 B19R2.3613666 Cc1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:20607 [0,1,0,0,0,0|1,0,1]=3 17 B19R2.3613666 Cc1cn(c(=S)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:20602 [0,1,0,0,0,0|0,1,0]=2 18 B19R2.3613666 Cn1cc(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:19068 [0,1,0,0,0,0|2,0,0]=3 19 B19R2.3613666 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Br CHEBI:20553 [0,1,0,0,0,0|1,0,0]=2 20 B19R2.3613666 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F CHEBI:40154 [0,1,0,0,0,0|1,0,0]=2 21 B19R2.3613666 c1c(c(nc(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F CHEBI:38190 [0,1,0,0,0,0|2,0,1]=4 22 B16R2.2335 c1cn(c(=O)nc1N)[C@H]2CC[C@H](O2)CO CHEBI:10101 [2,0,0,0,0,0|1,0,1]=4 23 B18R2.16852 C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:23774 [1,1,0,0,0,0|0,0,2]=4 24 B18R2.16852 c1c(=O)[nH]c(=O)n(n1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:35668 [1,1,0,0,0,0|1,0,0]=3 25 B18R2.16852 c1c(c(=O)[nH]c(=O)[nH]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:17802 [1,1,0,0,0,0|2,0,0]=4 26 B18R2.16852 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C=O)O)O CHEBI:86258 [1,1,0,0,0,0|0,0,2]=4 27 B18R2.16852 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:16704 [1,1,0,0,0,0|0,0,0]=2 28 B18R2.16852 c1cn(c(=O)[nH]c1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:20480 [1,1,0,0,0,0|0,1,0]=3 29 B18R2.16852 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:17562 [1,1,0,0,0,0|1,0,1]=4 30 B18R2.16852 c1cn(c(=O)nc1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O CHEBI:28680 [1,1,0,0,0,0|1,0,1]=4 31 B18R2.16852 c1cn(c(=S)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:60731 [1,1,0,0,0,0|0,1,0]=3 32 B18R2.66696 C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(=O)[nH]c2=O)F)O)O CHEBI:31521 [1,1,0,0,0,0|1,0,0]=3 33 B20R2.1903572 COc1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CHEBI:20601 [0,2,0,0,0,0|0,0,0]=2 34 B20R2.1903572 c1c(c(=O)[nH]c(=S)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CN CHEBI:73768 [0,2,0,0,0,0|0,1,0]=3 35 B20R2.1903572 c1c(c(=O)[nH]c(=S)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C[NH3+] CHEBI:73769 [0,2,0,0,0,0|0,1,0]=3 36 B20R2.2326828 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)C(=O)O CHEBI:102485 [0,2,0,0,0,0|0,0,1]=3 37 B20R2.11267199 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] CHEBI:10110 [0,2,0,0,0,0|1,0,0]=3 38 B20R2.5521486 Cc1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OC CHEBI:19226 [0,2,0,0,0,0|0,0,0]=2 39 B20R3.10804176 Cc1cn(c(=O)[nH]c1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO CHEBI:45586 [0,0,0,1,0,1|1,0,0]=3 40 B20R3.90478180 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O CHEBI:46026 [0,0,0,1,0,1|1,0,0]=3