0  B4R0.2  CSCC=C S6204 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.2  CSSSC S6311 [0,0,0,0,0,0|2,0,0]=2
2  B3R0.1  C(CO)N S6210 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.1  C(CS)N S4206 [1,0,0,0,0,0|2,0,0]=3
4  B3R0.1  C(CS)N S6402 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.1  CCCC(=O)[O-] S1999 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.1  CCCC(=O)[O-] S1999 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.1  CCOC(=O)N S4544 [0,1,0,0,0,0|1,1,1]=4
8  B5R0.1  CCOC(=O)N S4544 [0,1,0,0,0,0|1,1,1]=4
9  B5R0.2  C(CCN)CN S5344 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.2  C(CCN)CN S5825 [0,1,0,0,0,0|2,0,0]=3
11  B5R0.2  C(CCN)CN S5825 [0,1,0,0,0,0|2,0,0]=3
12  B5R0.3  C(C(CO)O)O S2766 [0,1,0,0,0,0|3,0,0]=4
13  B5R1.3  C1C(O1)CCl S4129 [0,0,0,1,0,0|3,0,0]=4
14  B5R1.3  C1C(O1)CCl S4134 [0,0,0,1,0,0|3,0,0]=4
15  B2R0.1  CNC S6197 [2,0,0,0,0,0|1,0,0]=3
16  B4R0.1  CC(CO)O S6258 [1,1,0,0,0,0|1,0,0]=3
17  B4R0.1  CSC(=N)N S3631 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.1  COC(=O)CCN S6219 [0,2,0,0,0,0|2,0,0]=4
19  B6R0.6  C#CCOCCN S1946 [0,2,0,0,0,0|0,1,1]=4
20  B6R0.6  C#CCOCCO S1780 [0,2,0,0,0,0|0,1,1]=4
21  B6R0.6  C(CCN)CCN S6357 [0,2,0,0,0,0|1,0,0]=3
22  B6R0.6  C(COCCBr)O S1686 [0,2,0,0,0,0|0,1,0]=3
23  B6R0.6  C(COCCN)N S1800 [0,2,0,0,0,0|0,1,0]=3
24  B6R0.6  CCC=CCCO S6059 [0,2,0,0,0,0|1,0,0]=3
25  B6R1.2  CN1CCCC1 S6216 [0,1,0,1,0,0|1,0,0]=3
26  B6R1.1  C1CNCCN1 S4574 [0,1,0,1,0,0|1,0,0]=3
27  B6R1.1  C1CNCCN1 S4574 [0,1,0,1,0,0|1,0,0]=3