0  B13R1.45  CN(C)CCC(O)C1=CC=CC=C1 D6107 [0,0,0,0,0,0|2,0,2]=4
1  B13R1.45  CN(C)CCC(O)C1=CC=CC=C1 D6107 [0,0,0,0,0,0|2,0,2]=4
2  B13R1.45  O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [0,0,0,0,0,0|3,0,1]=4
3  B14R2.403  CC1(C)COC(C2=CN=CC=C2)=N1 D8071 [0,0,0,1,0,0|2,0,0]=3
4  B14R2.29285  CC1(C)CCC(=O)C2=CC=CC=C21 D17959 [0,0,0,1,0,0|1,0,0]=2
5  B12R1.107  O=C(C[N+](=O)[O-])C1=CC=CC=C1 B7666 [0,0,0,0,1,0|3,0,0]=4
6  B14R1.423  CC(O)CNC(=S)NC1=CC=CC=C1 H9463 [0,0,0,0,0,1|2,1,0]=4
7  B11R1.16  CCOC(=O)C1=CC=CN=C1 E0301 [2,0,0,0,0,0|1,0,0]=3
8  B11R1.16  CCOC(=O)C1=CC=CN=C1 E0301 [2,0,0,0,0,0|1,0,0]=3
9  B11R1.16  CCOC(=O)C1=CC=NC=C1 E2195 [2,0,0,0,0,0|1,0,0]=3
10  B11R1.16  CCOC(=O)C1=CN=CN=C1 E15175 [2,0,0,0,0,0|2,0,0]=4
11  B11R1.16  CCOC(=O)C1=NC=NC=C1 E14660 [2,0,0,0,0,0|2,0,0]=4
12  B11R1.16  O=C(CCCl)C1=CC=CC=C1 C4696 [2,0,0,0,0,0|1,0,0]=3
13  B13R1.17  CCCCC(=O)C1=CC=C(Cl)C=C1 C5393 [1,1,0,0,0,0|1,0,0]=3
14  B13R1.17  CCCCC(=O)C1=CC=C(O)C=C1 H0724 [1,1,0,0,0,0|1,0,0]=3
15  B13R1.17  NC1=CC=C(C(=O)NCCO)C=C1 A8219 [1,1,0,0,0,0|2,0,0]=4
16  B13R1.17  O=C(CCCCl)C1=CC=C(F)C=C1 C4781 [1,1,0,0,0,0|2,0,0]=4
17  B13R1.24  CCNCCC(=O)C1=CC=CC=C1 M9617 [1,1,0,0,0,0|1,0,0]=3
18  B13R1.47  CCOC(=O)C(=O)C1=CC=CC=C1 E8121 [1,1,0,0,0,0|2,0,0]=4
19  B13R1.674  CCCCC(=O)C1=CC=CC=C1O H8140 [1,1,0,0,0,0|1,0,0]=3
20  B13R1.718  NCC(O)COCC1=CC=CC=C1 A14985 [1,1,0,0,0,0|1,0,1]=4
21  B13R1.132  CC(C)OC(=O)C1=CC=C(O)C=C1 I3188 [0,1,0,0,1,0|0,0,0]=2
22  B13R2.5252  O=C1CCCNC2=CC=CC=C12 T14406 [1,0,0,1,0,0|2,0,0]=4
23  B13R2.5252  O=C1CCCNC2=CC=CC=C12 T14406 [1,0,0,1,0,0|2,0,0]=4
24  B13R2.2382  C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4
25  B13R2.2382  C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4
26  B13R2.2382  C1=CC=C(COC[C@H]2CO2)C=C1 B4758 [1,0,0,1,0,0|1,0,1]=4
27  B13R2.328  CC1=NC2=C(C=CC=C2)C(=O)O1 M1949 [0,0,0,1,1,0|1,0,1]=4
28  B13R2.328  O=C1CC2=C(C=CC=C2)C(=O)O1 H7527 [0,0,0,1,1,0|1,0,1]=4
29  B11R1.91  CC(N)CCC1=CC=CC=C1 M0184 [1,0,0,0,1,0|1,0,1]=4
30  B11R1.36  CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,2,0|1,0,0]=3
31  B11R1.36  CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,2,0|1,0,0]=3