0  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,0]=3
1  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,0]=3
2  B6R1.2  C1C=CCC1O CM14094 [0,0,0,1,0,0|2,1,0]=4
3  B6R1.2  C1COCC1Br CM10289 [0,0,0,1,0,0|2,0,0]=3
4  B6R1.6  C1C(CO1)CN CM14243 [0,0,0,1,0,0|2,0,0]=3
5  B6R1.6  C1C(CO1)CO CM14247 [0,0,0,1,0,0|1,1,0]=3
6  B6R1.6  C1CC(C1)CBr CM14105 [0,0,0,1,0,0|3,0,0]=4
7  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|0,0,2]=4
8  B5R0.1  CC(CCO)N CM14429 [1,1,0,0,0,0|1,0,0]=3
9  B5R0.4  CC(C)(CN)N CM11082 [1,1,0,0,0,0|2,0,0]=4
10  B5R0.4  CC(C)(CN)S CM13886 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.2  C(C=CCCl)O CM14462 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.2  C(CC#N)CBr CM12994 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [0,2,0,0,0,0|1,0,1]=4
15  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|0,1,1]=4
16  B5R1.2  C1C(CN1)F CM14271 [1,0,0,1,0,0|2,0,0]=4
17  B5R1.2  C1C(CN1)O CM14096 [1,0,0,1,0,0|1,1,0]=4
18  B5R1.2  C1C(CO1)I CM14229 [1,0,0,1,0,0|1,0,0]=3
19  B5R1.2  C1C(CO1)N CM14221 [1,0,0,1,0,0|1,0,0]=3
20  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|0,1,0]=3
21  B5R1.3  C1CC1CBr CM13343 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.3  C1COCCC1O CM14273 [0,1,0,1,0,0|1,1,0]=4