0  B6R0.8  CC(C)(C#N)CO CS-W018923 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.8  CNC(C)(C)CO CS-W018699 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.8  OCC(F)(F)CO CS-0094694 [1,0,0,0,0,0|2,0,0]=3
3  B8R1.60  BrCC1(CBr)COC1 CS-0003922 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.60  OCC1(CBr)COC1 CS-W019428 [0,0,0,1,0,0|2,0,0]=3
5  B5R0.3  CC(CN)CCl CS-0038279 [2,0,0,0,0,0|2,0,0]=4
6  B5R0.3  CO[C@H](C)CO CS-W011349 [2,0,0,0,0,0|2,0,0]=4
7  B5R0.3  OCC(O)CO CS-B1784 [2,0,0,0,0,0|0,0,0]=2
8  B5R0.3  OC[C@@H](O)CF CS-0022575 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.3  OC[C@H](O)CF CS-0022569 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.3  [C@@H](O)(CC)CO CS-W005888 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.4  CC(C)(F)CO CS-D1107 [2,0,0,0,0,0|1,0,0]=3
12  B7R0.11  CC(C)(CO)CCO CS-0046905 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.13  CC(C)(CO)C(F)F CS-0096884 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.13  C[C@](N)(CO)C(=O)O CS-W008467 [1,1,0,0,0,0|0,0,1]=3
15  B7R1.25  NC1(CO)CCC1 CS-0053661 [1,0,0,1,0,0|1,0,0]=3
16  B7R1.1  NC[C@@H]1CCOC1 CS-0053039 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.1  NC[C@H]1CCOC1 CS-0053315 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.1  OCC1CCNC1 CS-W019882 [1,0,0,1,0,0|2,0,0]=4
19  B7R1.1  OC[C@H]1CCNC1 CS-W008960 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.204  OCC1(CO)CCCC1 CS-B1205 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.163  NC1(C(=O)O)CCOC1 CS-B0090 [0,1,0,1,0,0|1,0,1]=4