0  B7R1.3  Nc1ccccc1 T4777 [0,0,0,0,0,0|1,0,3]=4
1  B7R1.3  O=C1C=CCCN1 BBP02874 [0,0,0,0,0,0|1,0,0]=1
2  B7R1.3  OC1=CC=CC=C1 TCS0927 [0,0,0,0,0,0|0,0,4]=4
3  B6R1.1  c1cncnc1 T4809 [1,0,0,0,0,0|2,0,1]=4
4  B8R1.2  O=CC1=CC=CC=C1 TWO2659 [0,1,0,0,0,0|0,0,3]=4
5  B8R1.4  O=C1C=CNC(=O)N1 BBP01113 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,0|2,0,0]=3
7  B8R1.5  O=C1C=COC=C1O BBP03674 [0,1,0,0,0,0|1,0,2]=4
8  B6R0.4  CCCCC(=O)O T4792 [0,0,1,0,0,0|1,0,1]=3
9  B6R0.4  NCCCC(=O)O T0508 [0,0,1,0,0,0|2,0,0]=3
10  B6R1.2  O=C1CCCC1 T4800 [0,0,0,0,1,0|0,0,1]=2
11  B5R0.1  CC(C)=CCO T4747 [1,0,1,0,0,0|2,0,0]=4
12  B5R0.1  CCCC(=O)O T3943 [1,0,1,0,0,0|1,0,0]=3
13  B5R0.1  NCCC(=O)O T0627 [1,0,1,0,0,0|2,0,0]=4
14  B7R0.2  COC(=O)CC(C)=O T4851 [0,1,1,0,0,0|1,0,1]=4
15  B7R0.4  CCCCCC(=O)O T3944 [0,1,1,0,0,0|1,0,1]=4
16  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [0,1,1,0,0,0|1,0,1]=4
17  B7R0.4  NCCCCC(=O)O T5089 [0,1,1,0,0,0|1,0,1]=4
18  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,1,0,0,1,0|1,0,0]=3
19  B7R1.4  N[C@@H]1CONC1=O T1589 [0,1,0,0,1,0|2,0,0]=4
20  B7R1.4  N[C@H]1CONC1=O T0710 [0,1,0,0,1,0|2,0,0]=4
21  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,2,0,0,0,0|2,0,0]=4
22  B9R1.3  O=C1NCCC(O)C1Cl BBP02836 [0,2,0,0,0,0|1,0,1]=4
23  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,2,0,0,0,0|1,0,1]=4