0  B6R0.1  CCOC(C)CN 4089019 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  C=C(CC)CN 4074283 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.3  C=CC(O)CN 4055871 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.3  CNC(=O)CN 4089909 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.3  CCC(=O)NCCN 4028425 [0,1,0,0,0,0|1,0,2]=4
5  B7R0.3  CNC(=O)CCCN 4089383 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.3  CNCCC(=O)NC 4088709 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.10  CCC(N)C(=O)NC 4090715 [0,1,0,0,0,0|2,0,1]=4
8  B7R1.2  CC1=NN(C)C=C1 3020421 [0,0,0,1,0,0|3,0,0]=4
9  B7R1.3  NC1C=CCCC1 4075151 [0,0,0,1,0,0|2,0,1]=4
10  B7R1.4  NC1CCNC1=O 4019954 [0,0,0,1,0,0|2,0,1]=4
11  B7R1.4  N[C@@H]1CCNC1=O 4101224 [0,0,0,1,0,0|2,0,1]=4
12  B7R1.4  N[C@H]1CCNC1=O 4107612 [0,0,0,1,0,0|2,0,1]=4
13  B6R0.2  CC(=O)CC(C)N 4022442 [1,1,0,0,0,0|1,0,1]=4
14  B6R0.2  CC(=O)CC(C)N 4089784 [1,1,0,0,0,0|1,0,1]=4
15  B6R0.4  CNCCC(=O)O 4088781 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.4  CNCCC(N)=O 4090391 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.6  C=CCNCCC 4088685 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.3  CCOC(=O)C(N)CO 3020297 [0,2,0,0,0,0|0,0,2]=4
19  B8R1.1  O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|0,0,2]=4
20  B8R1.5  O=C1CCCNC1=O 4038506 [0,1,0,1,0,0|1,0,1]=4
21  B8R1.11  CCN1C=CN=C1Br 4088617 [0,1,0,1,0,0|2,0,0]=4