0  B17R1.4951  CCCCC(CC)COC(=O)C1=CC=CC=C1 CDS000533 [0,0,0,0,0,0|0,0,0]=0
1  B16R1.4525  CCCCC(CC)CNCC1=CC=CC=N1 PH016280 [1,0,0,0,0,0|2,0,1]=4
2  B18R2.257  CN1CCN(CC1)CCC(=O)C2=CC=CC=C2 R592773 [0,0,0,1,0,0|3,0,0]=4
3  B15R1.138  CCCCCCNC(=O)C1=CC=CC=C1 PH009105 [2,0,0,0,0,0|1,0,0]=3
4  B15R1.138  CCCCCCOC(=O)C1=CN=CC=C1 S557501 [2,0,0,0,0,0|1,0,0]=3
5  B15R1.138  O=C(OCCCCCCl)C1=CC=CC=C1 S376876 [2,0,0,0,0,0|1,0,0]=3
6  B17R1.4100  CCCCC(CC)C(=O)OCC1=CC=CC=C1 PH008309 [1,1,0,0,0,0|0,0,2]=4
7  B17R2.2342  O=C(CCN1CCCCC1)C2=CC=CC=C2 S354937 [1,0,0,1,0,0|2,0,0]=4
8  B17R2.2342  O=C(CCN1CCCCC1)C2=CC=CC=C2 S383376 [1,0,0,1,0,0|2,0,0]=4
9  B17R2.2342  O=C(SCN1CCCCC1)C2=CC=CC=C2 S308617 [1,0,0,1,0,0|1,1,0]=4
10  B17R2.2342  O=C(SCN1CCCCC1)C2=CC=CC=C2 S447935 [1,0,0,1,0,0|1,1,0]=4
11  B17R2.3426  O=C(NC1CCCCC1Cl)C2=CC=CC=C2 R787388 [1,0,0,1,0,0|2,0,0]=4
12  B17R2.3426  O=C(NC1CCCC[C@@H]1Br)C2=CC=CC=C2 L498890 [1,0,0,1,0,0|2,0,0]=4
13  B17R2.3426  O=C(OC1CCCCC1=O)C2=CC=CC=C2 T315370 [1,0,0,1,0,0|1,0,1]=4
14  B17R2.209  C=C1CCC(CC1)OC(=O)C2=CC=CC=C2 S767964 [0,0,0,1,1,0|0,0,2]=4
15  B17R2.209  CN1CCN(CC1)CC(=O)C2=CC=CC=C2 R593443 [0,0,0,1,1,0|2,0,0]=4
16  B17R2.209  O=C1CCC(CC1)OC(=O)C2=CC=CC=C2 R579858 [0,0,0,1,1,0|1,0,1]=4
17  B17R2.45538  O=C(NC1CCCCCC1)C2=CC=CC=C2 R574813 [0,0,0,1,1,0|1,0,0]=3
18  B19R2.3385  C#CC1CCCCC1OC(=O)OC2=CC=CC=C2 R238228 [0,0,0,1,0,1|0,0,2]=4
19  B19R3.17500  C=C1C2CCC(C2)C1OC(=O)C3=CC=CC=C3 R229237 [0,0,0,2,0,0|0,0,2]=4