0  B5R0.5  CC(C(=O)O)F CM13749 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.3  CCC(C(=O)N)N CM11025 [0,1,0,0,0,0|2,0,0]=3
5  B6R1.11  C1CC1C(=O)Cl CM13883 [0,0,0,1,0,0|2,0,0]=3
6  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
7  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|0,1,0]=3
8  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.1  C(C#N)C(=O)O CM10060 [1,1,0,0,0,0|0,0,1]=3
10  B5R0.1  CC#CC(=O)O CM10024 [1,1,0,0,0,0|0,0,1]=3
11  B5R0.1  CC(CCO)N CM14429 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.4  CC(C)(C)C=O CM10011 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [0,2,0,0,0,0|0,1,0]=3
14  B7R0.14  CC(C)(C(=O)OC)F CM13900 [0,2,0,0,0,0|1,0,0]=3
15  B7R0.14  CC(C)(C(=O)OC)O CM11022 [0,2,0,0,0,0|0,0,0]=2
16  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|1,0,0]=3
17  B5R1.2  C1C(CN1)O CM14096 [1,0,0,1,0,0|1,0,1]=4
18  B5R1.2  C1C(CO1)I CM14229 [1,0,0,1,0,0|1,0,1]=4
19  B5R1.2  C1C(CO1)N CM14221 [1,0,0,1,0,0|1,0,1]=4
20  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|0,0,1]=3
21  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|1,0,0]=3
22  B7R1.2  C1=CC(=O)OC1O CM11011 [0,0,0,1,0,1|1,0,1]=4
23  B7R1.20  C1CC1CC(=O)O CM13686 [0,0,0,1,0,1|1,0,0]=3
24  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,1,0,0|1,0,0]=3
27  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|1,0,0]=3
28  B7R1.22  C1CC1C(=O)CBr CM11136 [0,1,0,1,0,0|2,0,0]=4