0  B20R2.10963774  CC(C)NCC(O)COc1cccc2ccccc12 Amb6342301 [0,0,0,0,0,0|0,0,0]=0
1  B20R2.10963774  CC(C)NCC(O)COc1cccc2ccccc12 Amb6365408 [0,0,0,0,0,0|0,0,0]=0
2  B20R2.10963774  CC(C)NC[C@@H](O)COc1cccc2ccccc12 Amb23437866 [0,0,0,0,0,0|0,0,0]=0
3  B20R2.10963774  CC(C)NC[C@@H](O)COc1cccc2ccccc12 Amb9825665 [0,0,0,0,0,0|0,0,0]=0
4  B20R2.10963774  CC(C)NC[C@H](O)COc1cccc2ccccc12 Amb2608855 [0,0,0,0,0,0|0,0,0]=0
5  B19R2.1021309  CC(=O)NCCCOc1cccc2cccnc12 Amb13847890 [1,0,0,0,0,0|2,0,1]=4
6  B19R2.1021309  CC(C)NCCCOc1cccc2ccccc12 Amb7798578 [1,0,0,0,0,0|0,0,0]=1
7  B21R2.4494802  CC(C)NC[C@@H](O)COc1ccc(O)c2ccccc12 Amb24100970 [0,1,0,0,0,0|0,0,0]=1
8  B19R1.10443  C=CCOc1ccccc1OCC(O)CNC(C)C Amb6384585 [0,0,1,0,0,0|1,0,1]=3
9  B19R2.1022145  CC(C)NCC(O)COc1cccc2ccoc12 Amb24064467 [0,0,0,0,1,0|1,0,0]=2
10  B19R2.6063385  CC(C)[NH2+]C(O)COc1cccc2ccccc12 Amb9804431 [0,0,0,0,1,0|0,0,1]=2
11  B18R1.4935  C=CCc1ccccc1OCC(O)CNC(C)C Amb22049840 [1,0,1,0,0,0|0,0,1]=3
12  B18R1.4935  C=CCc1ccccc1OCC(O)CNC(C)C Amb2760960 [1,0,1,0,0,0|0,0,1]=3
13  B18R2.165811  CCCCCCNc1cccc2ccccc12 Amb2688720 [2,0,0,0,0,0|2,0,0]=4
14  B18R2.165811  CCCNCCOc1cccc2ccccc12 Amb7798583 [2,0,0,0,0,0|2,0,0]=4
15  B18R2.165811  CCNCCCOc1cccc2ccccc12 Amb7798580 [2,0,0,0,0,0|0,0,0]=2
16  B18R2.892603  CNCC(O)COc1cccc2ccccc12 Amb15740901 [2,0,0,0,0,0|0,0,0]=2
17  B18R2.892603  CNCC(O)COc1cccc2ccccc12 Amb577241 [2,0,0,0,0,0|0,0,0]=2
18  B18R2.892603  C[NH2+]CC(O)COc1cccc2ccccc12 Amb4246576 [2,0,0,0,0,0|0,0,1]=3
19  B18R2.892603  N#CCC(O)COc1cccc2ccccc12 Amb17247732 [2,0,0,0,0,0|1,0,1]=4
20  B20R2.5183951  CC(C)(N)COCCOc1cccc2ccccc12 Amb18630807 [1,1,0,0,0,0|2,0,0]=4
21  B20R2.12036431  CC(C)NCC(CN)Cc1cccc2ccccc12 Amb33039146 [0,1,0,0,1,0|1,0,0]=3
22  B20R2.507147  CC(COc1cccc2c(N)cccc12)CN(C)C Amb17133135 [0,1,0,0,1,0|2,0,0]=4
23  B20R2.28938  CC(C)NCC(O)COc1ccc2ccccc2c1 Amb1251799 [0,0,1,1,0,0|0,0,0]=2
24  B20R2.28938  CC(C)NCC(O)COc1ccc2ccccc2c1 Amb4285360 [0,0,1,1,0,0|0,0,0]=2
25  B20R3.328287  CC(N)C1CCCOc2c1ccc3ccccc23 Amb17582194 [1,0,0,1,0,0|2,0,0]=4
26  B20R3.2720  c1ccc2c(OCC3COCCN3)cccc2c1 Amb18578238 [1,0,0,1,0,0|2,0,0]=4
27  B20R3.2720  c1ccc2c(OCC3CSCCN3)cccc2c1 Amb18588073 [1,0,0,1,0,0|2,0,0]=4
28  B20R3.2720  c1cnc2c(OCC3CCCNC3)cccc2c1 Amb32409738 [1,0,0,1,0,0|2,0,0]=4
29  B20R3.2720  c1cnc2c(OCC3CNCCO3)cccc2c1 Amb22503752 [1,0,0,1,0,0|1,0,0]=3
30  B22R3.6743942  CC1(C)COCC(COc2cccc3ccccc23)N1 Amb18075562 [0,0,0,1,0,1|2,0,0]=4
31  B22R3.6306253  CC1(C)COC(COc2cccc3ccccc23)CN1 Amb18075563 [0,1,0,1,0,0|0,0,0]=2
32  B18R2.2417296  CC(C)[C@@H](N)COc1cccc2ccccc12 Amb18538728 [0,0,0,0,2,0|1,0,0]=3
33  B18R2.2417296  CC(C)[C@@H](N)COc1cccc2cccnc12 Amb18538737 [0,0,0,0,2,0|2,0,0]=4
34  B20R2.1477122  CC(C)OCCCNCc1cccc2ccccc12 Amb1851121 [1,0,0,0,0,1|2,0,0]=4