0  B8R1.7  CC(=O)C1=CC=CN1 BBL010104 [0,0,0,0,0,0|1,0,3]=4
1  B8R1.7  CS(=O)C1=NNC=N1 BBL013230 [0,0,0,0,0,0|3,0,1]=4
2  B8R1.7  NC(=O)C1CCCN1 BBL010815 [0,0,0,0,0,0|2,0,2]=4
3  B8R1.7  O=C(Cl)C1=CC=CS1 BBL011388 [0,0,0,0,0,0|2,0,2]=4
4  B8R1.7  O=C(Cl)C1=CSN=N1 BBL010219 [0,0,0,0,0,0|4,0,0]=4
5  B8R1.7  O=C(O)C1=CSN=N1 BBL010216 [0,0,0,0,0,0|4,0,0]=4
6  B8R1.7  O=C(O)C1=NN=CN1 BBL033501 [0,0,0,0,0,0|3,0,1]=4
7  B8R1.7  O=C(O)C1CCCO1 BBL001404 [0,0,0,0,0,0|2,1,1]=4
8  B8R1.7  O=C(O)C1NCCS1 BBL034715 [0,0,0,0,0,0|1,0,2]=3
9  B7R1.1  COC1=NC=CS1 BBL037422 [1,0,0,0,0,0|1,0,2]=4
10  B9R1.11  CCC(=O)C1=CC=CS1 BBL037420 [0,1,0,0,0,0|1,0,2]=4
11  B9R1.11  CNC(=O)[C@@H]1CCCN1 BBL033606 [0,1,0,0,0,0|1,0,2]=4
12  B9R1.11  NCC(=O)N1CCCC1 BBL030890 [0,1,0,0,0,0|3,0,0]=4
13  B9R1.35  CC(=O)C1=CC(Br)=CS1 BBL104318 [0,1,0,0,0,0|1,0,2]=4
14  B9R1.35  CC(=O)C1=NN(C)C=C1 BBL039361 [0,1,0,0,0,0|2,0,1]=4
15  B7R0.4  CCCCCC(C)=O BBL011381 [0,0,1,0,0,0|2,0,1]=4
16  B7R0.4  CCC\C=C/C(=O)O BBL029832 [0,0,1,0,0,0|3,0,0]=4
17  B7R0.5  C=C(C)C(=O)OCC BBL011403 [0,0,1,0,0,0|2,1,0]=4
18  B7R0.5  CCNC(=O)C(=O)O BBL005118 [0,0,1,0,0,0|1,1,1]=4
19  B7R0.5  CCOC(=O)C(=O)Cl BBL027307 [0,0,1,0,0,0|2,1,0]=4
20  B7R0.5  CCOC(=O)C(C)=O BBL027737 [0,0,1,0,0,0|1,1,0]=3
21  B7R0.5  CCOC(=O)C(N)=O BBL013006 [0,0,1,0,0,0|2,1,0]=4
22  B7R0.15  COC(OC)C(C)=O BBL011442 [0,0,1,0,0,0|1,1,1]=4
23  B9R1.6  CC(=O)C1=NC=CN=C1 BBL037027 [0,0,0,0,0,1|1,0,2]=4
24  B6R0.4  CC(=O)CCCCl BBL010617 [1,0,1,0,0,0|1,0,1]=4
25  B6R0.4  CC(=O)NCCN BBL027688 [1,0,1,0,0,0|1,0,1]=4
26  B6R0.4  CCCCC(C)=O BBL011434 [1,0,1,0,0,0|1,0,1]=4
27  B6R0.3  COC(=O)C(C)=O BBL027724 [1,0,1,0,0,0|1,1,0]=4
28  B6R0.3  C\C=C(\C)C(=O)O BBL012257 [1,0,1,0,0,0|2,0,0]=4
29  B6R1.2  NC1=NCCC1 BBL031757 [2,0,0,0,0,0|2,0,0]=4
30  B6R1.2  NC1=NCCS1 BBL000029 [2,0,0,0,0,0|1,0,0]=3
31  B6R1.2  O=C1OCCO1 BBL011402 [2,0,0,0,0,0|1,1,0]=4
32  B6R1.2  SC1=NCCS1 BBL027511 [2,0,0,0,0,0|0,1,0]=3
33  B8R0.7  CCCS\C=C/C(=O)[O-] BBL033998 [0,1,1,0,0,0|2,0,0]=4
34  B10R1.27  NCC(=O)NC1=NC=CS1 BBL031633 [0,1,0,0,0,1|0,0,2]=4
35  B10R1.27  O=C(CBr)NC1=NC=CS1 BBL014451 [0,1,0,0,0,1|0,0,2]=4
36  B6R1.11  O=C(Cl)C1CC1 BBL011354 [0,0,0,0,2,0|1,0,1]=4
37  B10R1.66  O=C(O)CNC1=NCCC1 BBL012957 [0,0,0,0,0,2|2,0,0]=4
38  B10R1.66  O=C(O)CSC1=NCCN1 BBL000038 [0,0,0,0,0,2|2,0,0]=4