0  B13R1.42  CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,0,0,0,0,0|2,0,1]=4
1  B13R1.42  CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [1,0,0,0,0,0|1,0,2]=4
2  B13R1.42  CCOC(=O)CSC1=CC=CC=C1 SBB053696 [1,0,0,0,0,0|0,1,1]=3
3  B13R1.42  CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,0,0,0,0,0|1,0,2]=4
4  B15R1.551  C=CCOC(=O)C(N)CC1=CC=CC=C1 SBB061730 [0,1,0,0,0,0|1,0,0]=2
5  B15R2.2195  C1=CC=C(COC2=CC=CC=C2)C=C1 SBB008247 [0,0,0,1,0,0|2,0,1]=4
6  B15R2.9941  N#CCN1C(=O)COC2=C1C=CC=C2 SBB090752 [0,0,0,1,0,0|2,0,1]=4
7  B13R1.44  CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,0,0,0,1,0|0,0,2]=3
8  B12R1.27  C=CC(=O)OCC1=CC=CC=C1 SBB068279 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.27  COC(=O)CCC1=CN=CC=C1 SBB071440 [2,0,0,0,0,0|2,0,0]=4
10  B12R1.27  COC(=O)CSC1=CC=CC=C1 SBB089934 [2,0,0,0,0,0|0,1,0]=3
11  B12R1.27  COC(=O)NCC1=CC=CC=C1 SBB080563 [2,0,0,0,0,0|2,0,0]=4
12  B12R1.27  COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [2,0,0,0,0,0|1,0,1]=4
13  B12R1.27  NNC(=O)COC1=CC=CC=C1 SBB017408 [2,0,0,0,0,0|2,0,0]=4
14  B14R1.422  O=C(O)COCCOC1=CC=CC=C1 SBB056594 [1,1,0,0,0,0|1,0,1]=4
15  B14R1.29  CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [1,1,0,0,0,0|1,0,1]=4
16  B14R1.29  CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [1,1,0,0,0,0|1,0,1]=4
17  B14R1.32  CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [1,1,0,0,0,0|1,0,1]=4
18  B14R1.32  CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [1,1,0,0,0,0|0,0,1]=3
19  B14R1.502  CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [1,1,0,0,0,0|1,0,1]=4
20  B14R1.502  CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [1,1,0,0,0,0|1,0,1]=4
21  B14R1.502  CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [1,1,0,0,0,0|0,0,1]=3
22  B14R1.598  CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [1,1,0,0,0,0|0,0,1]=3
23  B14R1.423  O=C(O)CNC(=O)CC1=CC=CC=C1 SBB045971 [0,1,0,0,1,0|2,0,0]=4
24  B16R1.4122  CC(NC(=O)COC1=CC=CC=C1)C(=O)O SBB043390 [0,2,0,0,0,0|2,0,0]=4
25  B16R1.400  CC1=C(OCC(=O)NCC(=O)O)C=CC=C1 SBB043575 [0,2,0,0,0,0|2,0,0]=4
26  B14R2.517  C=CCN1C(=O)OC2=CC=CC=C21 SBB089033 [0,0,0,1,1,0|1,0,0]=3
27  B16R2.333  O=C(O)CN1C(=O)COC2=C1C=CC=C2 SBB028537 [0,1,0,1,0,0|2,0,0]=4
28  B12R1.32  CCOC(=O)CC1=CC=CC=N1 SBB058275 [1,0,0,0,1,0|1,0,1]=4
29  B12R1.32  CCOC(=O)CC1=CC=NC=C1 SBB053836 [1,0,0,0,1,0|1,0,1]=4
30  B12R1.32  CCOC(=O)CC1=CN=CC=C1 SBB058276 [1,0,0,0,1,0|1,0,1]=4
31  B12R1.32  O=C(CCCl)OC1=CC=CC=C1 SBB053602 [1,0,0,0,1,0|1,0,1]=4
32  B12R1.30  CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,0,0,0,2,0|0,0,2]=4