0  B5R0.3  C=C(CC)CN 4074283 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.3  C=CC(O)CN 4055871 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.3  CCC(C)NC 4039876 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.3  CCC(C)NC 4089297 [0,0,0,0,0,0|4,0,0]=4
4  B5R0.3  COC(C)CN 4089925 [0,0,0,0,0,0|4,0,0]=4
5  B5R0.3  CO[C@@H](C)CO 4031352 [0,0,0,0,0,0|3,0,0]=3
6  B4R0.2  CCCNN 4088315 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.1  CCOC(C)CN 4089019 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.1  NCCC(O)CO 4051484 [0,1,0,0,0,0|1,1,0]=3
9  B6R0.9  CCC(CN)OC 4090078 [0,1,0,0,0,0|2,1,0]=4
10  B6R1.2  NC1CCSC1 4014976 [0,0,0,1,0,0|2,0,0]=3
11  B6R1.2  N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,0]=3
12  B6R1.2  OC1CCSC1 4030923 [0,0,0,1,0,0|1,1,0]=3
13  B6R1.2  OC1CNOC1 4088318 [0,0,0,1,0,0|1,1,0]=3
14  B6R1.4  N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|2,0,0]=3
15  B6R1.4  N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|2,0,0]=3
16  B6R1.6  NCC1CCC1 4090412 [0,0,0,1,0,0|3,0,0]=4
17  B5R0.2  COCCNN 4050590 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.2  COCCNN 4089703 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.2  NNCCCO 4090002 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.11  COCC(C)(C)CN 4090889 [0,2,0,0,0,0|2,0,0]=4
21  B5R1.2  OC1CNC1 4088745 [1,0,0,1,0,0|1,1,0]=4
22  B5R1.4  C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|2,0,0]=4
23  B5R1.1  C1CNOC1 4089053 [1,0,0,1,0,0|1,0,0]=3
24  B7R1.1  CNC1CCOC1 4003583 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.1  OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.2  NC1CCC(O)C1 4094627 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.2  N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.3  CC1COCCN1 4037925 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.3  NC1CCOCC1 4003544 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.3  NC1CCOCC1 4089666 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.3  N[C@@H]1CCCOC1 4095390 [0,1,0,1,0,0|2,0,0]=4
32  B7R1.3  N[C@H]1CCCOC1 4105155 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.4  N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,1,0]=4
34  B7R1.4  O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|1,1,0]=4
35  B7R1.25  CC1(CO)CNC1 4074448 [0,1,0,1,0,0|2,0,0]=4