0  B7R0.18  NC(CO)(CO)CO 00298 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.18  NC(CO)(CO)CO 00299 [0,0,0,0,0,0|0,0,0]=0
2  B7R0.18  NC(CO)(CO)CO 00301 [0,0,0,0,0,0|0,0,0]=0
3  B7R0.18  NC(CO)(CO)CO 00679 [0,0,0,0,0,0|0,0,0]=0
4  B7R0.18  NC(CO)(CO)CO 01197 [0,0,0,0,0,0|0,0,0]=0
5  B7R0.18  NC(CO)(CO)CO 01198 [0,0,0,0,0,0|0,0,0]=0
6  B7R0.18  NC(CO)(CO)CO 01202 [0,0,0,0,0,0|0,0,0]=0
7  B7R0.18  NC(CO)(CO)CO 01300 [0,0,0,0,0,0|0,0,0]=0
8  B7R0.18  NC(CO)(CO)CO 30136 [0,0,0,0,0,0|0,0,0]=0
9  B6R0.8  CC(C)(CO)CO 26920 [1,0,0,0,0,0|1,0,0]=2
10  B6R0.8  CC(N)(CO)CO 00460 [1,0,0,0,0,0|0,0,0]=1
11  B8R0.36  CCC(N)(CC)C(=O)O 07125 [0,1,0,0,0,0|2,0,1]=4
12  B8R0.36  O=[N+]([O-])C(Br)(CO)CO 27116 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.3  NC(CO)CO 31958 [2,0,0,0,0,0|0,0,0]=2
14  B5R0.3  NCC(O)CO 31959 [2,0,0,0,0,0|1,0,0]=3
15  B5R0.3  O=CC(O)CO 20937 [2,0,0,0,0,0|0,0,2]=4
16  B5R0.3  O=C[C@H](O)CO 21212 [2,0,0,0,0,0|0,0,2]=4
17  B5R0.3  OC(CCl)CCl 26763 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.3  OCC(O)CO 00599 [2,0,0,0,0,0|0,0,0]=2
19  B5R0.3  OCC(O)CO 30144 [2,0,0,0,0,0|0,0,0]=2
20  B5R0.3  OCC(O)CS 00691 [2,0,0,0,0,0|0,1,0]=3
21  B5R0.4  CC(C)(C)NO 31262 [2,0,0,0,0,0|2,0,0]=4
22  B5R0.4  CC(C)(N)CO 00681 [2,0,0,0,0,0|0,0,0]=2
23  B5R0.4  CC(C)(N)CO 01156 [2,0,0,0,0,0|0,0,0]=2
24  B7R0.13  C[C@@](N)(CO)C(=O)O 31992 [1,1,0,0,0,0|0,0,1]=3
25  B7R0.13  C[C@](N)(CO)C(=O)O 31991 [1,1,0,0,0,0|0,0,1]=3
26  B9R0.78  CCC(CO)(CO)C(=O)O 28159 [0,2,0,0,0,0|1,0,1]=4
27  B7R1.1  OCC1CCNC1 19499 [1,0,0,1,0,0|2,0,0]=4