0  B5R0.3  C=C(CC)CN 4074283 [0,0,0,0,0,0|1,0,3]=4
1  B5R0.3  CCC(C)NC 4039876 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.3  CCC(C)NC 4089297 [0,0,0,0,0,0|2,0,2]=4
3  B5R0.3  CNC(=O)CN 4089909 [0,0,0,0,0,0|3,0,1]=4
4  B5R0.3  COC(C)CN 4089925 [0,0,0,0,0,0|2,0,2]=4
5  B5R0.3  CO[C@@H](C)C#N 4030194 [0,0,0,0,0,0|2,0,2]=4
6  B5R0.3  CO[C@@H](C)CO 4031352 [0,0,0,0,0,0|1,0,3]=4
7  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [0,1,0,0,0,0|1,0,1]=3
8  B6R0.3  CN[C@H](C)C(N)=O 4076581 [0,1,0,0,0,0|1,0,1]=3
9  B6R1.2  BrC1=CNN=C1 3001964 [0,0,0,1,0,0|3,0,0]=4
10  B6R1.2  ClC1=CNN=C1 3002277 [0,0,0,1,0,0|3,0,0]=4
11  B6R1.2  OC1=CNN=C1 4089099 [0,0,0,1,0,0|3,0,0]=4
12  B5R0.5  O=C(O)C(=O)O 4034715 [1,1,0,0,0,0|2,0,0]=4
13  B7R0.2  CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|1,0,1]=4
14  B7R0.5  CNCC(C)C(=O)O 4088272 [0,2,0,0,0,0|0,0,2]=4
15  B7R0.10  CNC(=O)[C@@H](C)NC 4058453 [0,2,0,0,0,0|1,0,1]=4
16  B7R0.10  CNC(=O)[C@H](C)NC 4051973 [0,2,0,0,0,0|1,0,1]=4
17  B7R0.10  CN[C@@H](C)C(=O)OC 4063702 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.10  CN[C@H](C)C(=O)OC 4068255 [0,2,0,0,0,0|1,0,1]=4
19  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,2,0,0,0,0|1,0,1]=4
20  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,2,0,0,0,0|1,0,1]=4
21  B7R1.1  O=CC1=CC=NS1 4030495 [0,1,0,1,0,0|1,0,1]=4
22  B7R1.1  O=CC1=CN=NN1 4301610 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.1  O=CC1=CSN=C1 4030020 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.2  CC1=COC(C)=C1 4091270 [0,1,0,1,0,0|0,0,1]=3
25  B7R1.2  CC1=NN(C)C=C1 3020421 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.4  CC1=C(N)C=NN1 4088796 [0,1,0,1,0,0|2,0,0]=4