0  B12R1.252  CC(=O)NCCC1=CC=NC=C1 032575 [1,0,0,0,0,0|2,0,0]=3
1  B12R1.252  CC(C)CCCC1=NC=CC=C1 098789 [1,0,0,0,0,0|2,0,1]=4
2  B14R1.13  COC(=O)CSCC1=CC=C(F)C=C1 095170 [0,1,0,0,0,0|1,0,0]=2
3  B14R2.68  O=C1CCC(C2=CC=CC=C2)CN1 371030 [0,0,0,1,0,0|1,0,0]=2
4  B12R1.27  CNC(=O)COC1=CC=CC=C1 105775 [0,0,0,0,1,0|2,0,0]=3
5  B11R1.28  CCCSCC1=CC=CC=C1 094802 [2,0,0,0,0,0|1,0,1]=4
6  B11R1.28  COCCOC1=CC=CC=C1 336003 [2,0,0,0,0,0|1,0,0]=3
7  B13R1.28  CCOCCSCC1=CC=CC=C1 094760 [1,1,0,0,0,0|1,0,1]=4
8  B13R1.149  CC1=CC=CC(CSCC(=O)O)=C1 346569 [1,1,0,0,0,0|1,0,0]=3
9  B13R1.158  CC1=C(CSCC(=O)O)C=CC=C1 314871 [1,1,0,0,0,0|1,0,0]=3
10  B13R1.348  O=C(O)CC(=O)NC1=CC=CC=C1 401619 [1,1,0,0,0,0|1,0,1]=4
11  B13R1.14  COC(=O)CSC1=CC=C(Cl)C=C1 094881 [0,1,0,0,1,0|1,0,0]=3
12  B13R1.15  COC(=O)CSC1=CC(Br)=CC=C1 095028 [0,1,0,0,1,0|1,0,0]=3
13  B13R1.15  COC(=O)CSC1=CC(Cl)=CC=C1 094946 [0,1,0,0,1,0|1,0,0]=3
14  B13R1.528  COC(=O)COC1=C(C)C=CC=C1 373660 [0,1,0,0,1,0|1,0,0]=3
15  B13R1.162  COC(=O)CCC(=O)C1=CC=CS1 400602 [0,1,0,0,1,0|1,0,1]=4
16  B15R1.778  CCOC(=O)CCCSC1=CC=CC=C1 042542 [0,1,0,0,0,1|0,0,0]=2
17  B15R1.826  CCOC(=O)C(C)SCC1=CC=CC=C1 094647 [0,2,0,0,0,0|1,0,0]=3
18  B11R1.91  O=C(O)CNC1=CC=CC=[NH+]1 180553 [1,0,0,0,1,0|2,0,0]=4