0  B22R4.1554511  CC1=C(C#N)C2=NC3=C(C=CC=C3)N2C4=C1CCS4 HTS07562 [0,0,0,1,0,0|1,1,1]=4
1  B19R3.40918  CC1=C(C#N)C2=NC3=CC=CC=C3N2C(N)=C1 HTS09042 [2,0,0,0,0,0|1,0,0]=3
2  B19R3.40918  CC1=CC(=O)N2C3=C(C=CC=C3)NC2=C1C#N HTS09052 [2,0,0,0,0,0|0,0,2]=4