0  B16R2.170412  O=C(NN)CC1=C2C=CC=CC2=CC=C1      AK114655 [1,0,1,0,0,0|2,0,0]=4
1  B16R2.170412  O=C(OC)CC1=C2C=CC=CC2=CC=C1      AK208784 [1,0,1,0,0,0|2,0,0]=4
2  B16R2.170412  O=C(OC1=C2C=CC=CC2=CC=C1)NC      AK112307 [1,0,1,0,0,0|2,0,0]=4
3  B18R3.2108  C1(=CC=CC2=CC=CC=C12)C3CNCCN3      AK-21703 [0,0,1,1,0,0|0,0,2]=4
4  B18R3.2108  C1(C2=C3C=CC=CC3=CC=C2)NCCSC1      AK-21763 [0,0,1,1,0,0|1,0,1]=4