0  B7R0.6  C(=C/C(=O)O)/C(=O)N 5513 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.6  C(=O)(N)\N=N\C(=O)N 5884 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.6  C(CC(=O)O)C(=O)O 5823 [0,0,0,0,0,0|0,0,2]=2
3  B7R0.6  CC(=O)CCC(=O)O 6824 [0,0,0,0,0,0|1,0,2]=3
4  B6R0.4  C=CCCC(=O)O 5031 [1,0,0,0,0,0|1,0,2]=4
5  B8R0.9  COC(=O)CCC(=O)O 5776 [0,1,0,0,0,0|0,0,2]=3
6  B8R0.23  C([C@@H](C(=O)O)N)C(=O)O 5088 [0,1,0,0,0,0|0,0,2]=3
7  B8R0.23  C=C(CC(=O)O)C(=O)O 5233 [0,1,0,0,0,0|0,0,1]=2
8  B8R0.29  C(=C\C(F)(F)F)/C(=O)O 5369 [0,1,0,0,0,0|2,0,1]=4
9  B8R1.3  C1=CC(=NC=C1O)Br 10436 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.3  C1=CC(=NC=C1O)Cl 9958 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.3  C1=CC(=O)NC=C1Br 8266 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.3  C1=CC(=O)NC=C1Cl 10450 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.3  C1=CC(=O)NC=C1F 8617 [0,0,0,1,0,0|3,0,0]=4
14  B8R1.3  CC1=CNC(=O)C=C1 9951 [0,0,0,1,0,0|3,0,0]=4
15  B8R1.23  C1C(CC1=O)C(=O)O 6732 [0,0,0,1,0,0|1,0,2]=4
16  B6R0.2  CC(=CC(=O)O)C 9276 [0,0,0,0,1,0|2,0,0]=3
17  B5R0.2  C(=O)NNC=O 6872 [2,0,0,0,0,0|2,0,0]=4
18  B9R0.53  C(C(=O)CC(=O)O)C(=O)O 6733 [0,1,0,0,0,1|0,0,1]=3
19  B9R0.79  C(C(C(=O)O)Br)(C(=O)O)Br 5774 [0,2,0,0,0,0|0,0,2]=4
20  B9R0.79  C(C(C(=O)O)Br)(C(=O)O)Br 9043 [0,2,0,0,0,0|0,0,2]=4
21  B9R0.79  C(C(C(=O)O)O)(C(=O)O)O 5766 [0,2,0,0,0,0|0,0,2]=4
22  B9R0.79  C(C(C(=O)O)O)(C(=O)O)O 5768 [0,2,0,0,0,0|0,0,2]=4
23  B9R0.79  C(C(C(=O)O)O)(C(=O)O)O 5931 [0,2,0,0,0,0|0,0,2]=4
24  B7R1.3  C1=CC(=CN=C1)O 6695 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.3  C1=CC(=CN=C1)O 6696 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.3  C1=CC=C(C=C1)O 5847 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.35  C1=C(OC(=C1)Br)C(=O)O 6446 [0,0,0,1,0,1|1,0,0]=3
28  B9R1.35  C1=C(SC(=C1)Br)C(=O)O 6855 [0,0,0,1,0,1|1,1,0]=4
29  B9R1.35  C1=C(SC(=N1)Br)C(=O)O 5706 [0,0,0,1,0,1|1,1,0]=4
30  B9R1.35  C1=C(SC=C1Br)C(=O)O 5005 [0,0,0,1,0,1|2,0,0]=4
31  B9R1.35  CC1=CC=C(S1)C(=O)O 6693 [0,0,0,1,0,1|1,1,0]=4
32  B9R1.1  C1=CC(=CC=C1C=O)O 5740 [0,1,0,1,0,0|2,0,0]=4