0  B6R0.6  C=CCSSSC L939 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.6  CCCCCCF 7535AF [0,0,0,0,0,0|4,0,0]=4
2  B6R0.6  COCCCOC U569 [0,0,0,0,0,0|1,2,0]=3
3  B5R0.2  CCCSC#N I565 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.2  COCCC=O Y8542 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.2  CSC\C=N\O S678 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.1  CCCOCCCO 9024AJ [0,1,0,0,0,0|2,1,0]=4
7  B7R0.3  CCCCC(N)CC 7820AF [0,1,0,0,0,0|3,0,0]=4
8  B7R0.4  CCCCCC(C)N 5131AF [0,1,0,0,0,0|3,0,0]=4
9  B7R0.4  N[C@@H](C)CCCCC Z2154 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.7  CCCS(=O)CCC 7566AF [0,1,0,0,0,0|2,0,1]=4
11  B7R1.1  CO[C@@H]1CCNC1 Z2120 [0,0,0,1,0,0|2,1,0]=4
12  B7R1.1  CO[C@H]1CCNC1 Z2151 [0,0,0,1,0,0|2,1,0]=4
13  B7R1.1  CSC1=NCCS1 X2628 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.3  C[C@@H]1CCCNC1 8114AA [0,0,0,1,0,0|3,0,0]=4
15  B7R1.7  CCCC[C@H]1CO1 Y7384 [0,0,0,1,0,0|2,1,0]=4
16  B7R1.7  CCCNC1CC1 8890AE [0,0,0,1,0,0|3,0,0]=4
17  B4R0.2  CCCC[NH3+] 7121AF [2,0,0,0,0,0|2,0,0]=4
18  B4R0.2  CCCC[O-] S459 [2,0,0,0,0,0|1,1,0]=4
19  B4R0.2  CCC[Mg]Cl 9030AJ [2,0,0,0,0,0|2,0,0]=4
20  B4R0.2  CCNCC Y1600 [2,0,0,0,0,0|1,0,0]=3
21  B4R0.2  CCSC#N 7036AF [2,0,0,0,0,0|1,0,1]=4
22  B6R0.1  CCCC(N)CC 7574AF [1,1,0,0,0,0|2,0,0]=4
23  B6R0.1  CC[C@@H](N)COC 8544AH [1,1,0,0,0,0|1,1,0]=4
24  B6R0.1  CC[C@H](N)COC 8568AH [1,1,0,0,0,0|1,1,0]=4
25  B6R0.4  CNCCC(C)C 5617AB [1,1,0,0,0,0|2,0,0]=4
26  B6R0.4  CNCC[C@H](C)N 9254AH [1,1,0,0,0,0|2,0,0]=4
27  B8R0.1  CCCC(=O)OCSC Y1950 [0,2,0,0,0,0|1,1,0]=4
28  B8R0.6  CCCCCC(=O)SC U833 [0,2,0,0,0,0|2,0,0]=4
29  B6R1.1  C1CCNCC1 X3730 [1,0,0,1,0,0|2,0,0]=4
30  B6R1.1  C1CNCCN1 7642AH [1,0,0,1,0,0|2,0,0]=4
31  B6R1.1  C1CNCCN1 W0060 [1,0,0,1,0,0|2,0,0]=4
32  B6R1.3  CCCC1CN1 Y8874 [1,0,0,1,0,0|2,0,0]=4
33  B6R1.6  CNC1COC1 4219AF [1,0,0,1,0,0|1,1,0]=4
34  B8R1.2  CSC1=NCCSC1 0939AE [0,1,0,1,0,0|1,0,1]=4
35  B8R2.25  C1CCC2SC2C1 7489AF [0,0,0,2,0,0|2,0,0]=4