0  B15R2.180125  CC(=O)NC1CC2CCC1(C2(C)C)C Molport-001-815-659 [0,0,0,0,0,0|1,0,0]=1
1  B15R2.180125  CC(=O)OC1CC2CCC1(C2(C)C)C Molport-000-743-453 [0,0,0,0,0,0|0,0,0]=0
2  B16R2.407510  CC1(C2CCC1([C@@](C2)(O)CC(=O)[O-])C)C Molport-009-757-792 [0,1,0,0,0,0|2,0,0]=3
3  B16R2.457032  C=CC(=O)NC1CC2CCC1(C2(C)C)C Molport-002-587-072 [0,1,0,0,0,0|1,0,1]=3
4  B16R2.457032  CC1(C2CCC1(C(C2)NC(=O)CCl)C)C Molport-002-129-921 [0,1,0,0,0,0|1,0,0]=2
5  B14R1.676  C=C(C)C1CCC(C(C1)OC(=O)C)C Molport-003-927-484 [0,0,1,0,0,0|0,0,2]=3
6  B16R3.510620  CC1(C2CCC13CS(=O)(=O)NC3C2)C Molport-002-799-630 [0,0,0,1,0,0|3,0,0]=4
7  B16R2.402079  CC1\2CCC(C1(C)C)C/C2=N/NC(=O)N Molport-007-549-360 [0,0,0,0,0,1|2,0,1]=4
8  B16R2.402079  CC1\2CCC(C1(C)C)C/C2=N\NC(=O)N Molport-001-836-310 [0,0,0,0,0,1|2,0,1]=4
9  B15R2.77429  CC1(C2CCC1([C@@H](C2)SCCO)C)C Molport-002-513-753 [1,1,0,0,0,0|0,1,1]=4
10  B15R2.132059  C=CCC1(CC2CCC1(C2(C)C)C)O Molport-002-729-398 [1,1,0,0,0,0|1,0,1]=4
11  B17R2.1096934  COC(=O)N/N=C/1\CC2CCC1(C2(C)C)C Molport-007-568-003 [0,1,0,0,0,1|1,0,1]=4
12  B17R2.958165  CN(C)CCOC1CC2CCC1(C2(C)C)C Molport-009-766-683 [0,0,0,0,0,2|2,0,0]=4