0  B20R3.652936  CC(C)CNc1ncnc2c1c3c([nH]2)cccc3 27a_100000210953_100010000322 [0,0,0,1,0,0|2,0,1]=4
1  B20R3.652936  CC(C)CSc1ncnc2c1c3c([nH]2)cccc3 62a_100000210624_100010000322 [0,0,0,1,0,0|1,1,1]=4
2  B17R2.429189  CC(C)C=Cc1ncnc2c1c(c[nH]2)C#N 271570a_100016257149_100009847449 [2,0,0,0,0,0|1,0,1]=4
3  B17R2.429189  CC(C)CNc1ncnc2c1c(c[nH]2)C#N 27a_100000210953_100009847449 [2,0,0,0,0,0|1,0,0]=3
4  B17R2.429189  CC(C)CSc1ccnc2c1c(c[nH]2)C#N 62a_100000210624_100102525082 [2,0,0,0,0,0|1,1,0]=4
5  B17R2.429189  CC(C)CSc1ncnc2c1c(c[nH]2)C#N 62a_100000210624_100009847449 [2,0,0,0,0,0|0,1,0]=3
6  B17R2.429189  CC(C)CSc1ncnc2c1c(c[nH]2)C=O 62a_100000210624_100009849210 [2,0,0,0,0,0|1,1,0]=4
7  B17R2.429189  CC(O)CNc1ncnc2c1c(c[nH]2)C#N 27a_100000210904_100009847449 [2,0,0,0,0,0|2,0,0]=4
8  B17R2.429189  CC(O)CSc1ncnc2c1c(c[nH]2)C#N 62a_100011218427_100009847449 [2,0,0,0,0,0|1,1,0]=4
9  B17R2.429189  C[C@@H](O)CSc1ncnc2c1c(c[nH]2)C#N 62a_100009817552_100009847449 [2,0,0,0,0,0|1,1,0]=4
10  B19R2.2952  CC(C)COc1ccccc1c2c[nH]c(c2)C#N 271570a_100011263024_100009952751 [0,0,1,1,0,0|2,0,0]=4