0  B6R0.9  OCC(CO)CO CS-W005889 [1,0,0,0,0,0|0,0,0]=1
1  B8R0.10  OCC(CO)(CO)CBr CS-0079598 [0,1,0,0,0,0|1,0,0]=2
2  B8R0.36  CCC(N)(CC)C(=O)O CS-W005544 [0,1,0,0,0,0|2,0,1]=4
3  B5R0.3  CC(CO)CO CS-0021060 [2,0,0,0,0,0|0,0,0]=2
4  B5R0.3  CC[C@H](O)CO CS-0031373 [2,0,0,0,0,0|1,0,0]=3
5  B5R0.3  COC(C)CO CS-W011348 [2,0,0,0,0,0|2,0,0]=4
6  B5R0.3  NCC(O)CN CS-W007600 [2,0,0,0,0,0|2,0,0]=4
7  B5R0.3  NC[C@H](O)CCl CS-W021152 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.3  OC[C@@H](O)CCl CS-W018500 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.3  [C@H](O)(CN)CO CS-W017771 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.3  [C@H](O)(CO)CCl CS-W011275 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.4  CC(C)(C)CN CS-W019134 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.4  CC(C)(C)NO CS-W022903 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.4  CC(C)(N)CN CS-0058986 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.4  CC(C)(O)CCl CS-0030576 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.4  CC(C)(O)CO CS-W005057 [2,0,0,0,0,0|1,0,0]=3
16  B7R0.13  CC[C@@](C)(N)C(=O)O CS-W020180 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.13  CC[C@](C)(N)C(=O)O CS-W008544 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.78  CCC(CO)(CO)C(=O)O CS-W018189 [0,2,0,0,0,0|1,0,1]=4
19  B7R1.25  CC1(CN)COC1 CS-W008726 [1,0,0,1,0,0|2,0,0]=4
20  B7R1.25  CC1(CO)COC1 CS-W007726 [1,0,0,1,0,0|1,0,0]=3
21  B7R1.29  NCC1(CO)CC1 CS-0072215 [1,0,0,1,0,0|2,0,0]=4