0  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|2,0,1]=4
1  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,1]=4
3  B6R1.2  C1COCC1Br CM10289 [0,0,0,1,0,0|2,0,1]=4
4  B6R1.2  c1co[nH]c1=O CM10160 [0,0,0,1,0,0|2,0,1]=4
5  B6R1.6  C1C(CO1)CN CM14243 [0,0,0,1,0,0|2,0,1]=4
6  B6R1.6  C1C(CO1)CO CM14247 [0,0,0,1,0,0|1,0,1]=3
7  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|0,1,0]=3
9  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.1  C(C#N)C(=O)O CM10060 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.1  CC#CC(=O)O CM10024 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.1  CC(CCO)N CM14429 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.2  C(C=CCCl)Cl CM14478 [1,1,0,0,0,0|2,0,0]=4
15  B5R0.2  C(C=CCCl)Cl CM14479 [1,1,0,0,0,0|2,0,0]=4
16  B5R0.2  C(C=CCCl)O CM14462 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.14  CC(C)(C(=O)OC)O CM11022 [0,2,0,0,0,0|2,0,0]=4
18  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|0,0,0]=2
19  B5R1.2  C1C(CO1)I CM14229 [1,0,0,1,0,0|1,0,1]=4
20  B5R1.2  C1C(CO1)N CM14221 [1,0,0,1,0,0|1,0,1]=4
21  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|0,0,2]=4
22  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|1,0,0]=3
23  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.3  C1COC(=O)CN1 CM10412 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.3  C1COCCC1=O CM14255 [0,1,0,1,0,0|1,0,0]=3
26  B7R1.22  C1CC1C(=O)CBr CM11136 [0,1,0,1,0,0|2,0,0]=4