0  B7R1.1  CNC1CCCC1 2044 [0,0,0,1,0,0|2,0,1]=4
1  B6R0.2  CC(N)CN(C)C 1353 [1,1,0,0,0,0|2,0,0]=4
2  B6R0.4  CNCCN(C)C 1323 [1,1,0,0,0,0|2,0,0]=4