0  B27R3.599624284  CC1=C(C=CN=C1CC(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F MCULE-5394542354 [0,0,0,0,0,0|1,0,0]=1
1  B27R3.599624284  CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=CC=C3)OCC(F)(F)F MCULE-8446262134 [0,0,0,0,0,0|0,0,0]=0
2  B27R3.599624284  CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCC(F)(F)F MCULE-3289991811 [0,0,0,0,0,0|0,0,1]=1
3  B27R3.599624284  CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCC(F)(F)F MCULE-6883206479 [0,0,0,0,0,0|0,0,1]=1
4  B27R3.599624284  CC1=C(C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=CC=C3)OCC(F)(F)F MCULE-5067061154 [0,0,0,0,0,0|0,0,0]=0
5  B27R3.599624284  CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F MCULE-6558779008 [0,0,0,0,0,0|0,0,0]=0
6  B27R3.599624284  CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F MCULE-1078325330 [0,0,0,0,0,0|0,0,0]=0
7  B27R3.599624284  CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F MCULE-9793409738 [0,0,0,0,0,0|0,0,0]=0
8  B27R3.599624284  CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3[N-]2)OCC(F)(F)F MCULE-6765685210 [0,0,0,0,0,0|0,0,1]=1
9  B27R3.599624284  CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3[N-]2)OCC(F)(F)F MCULE-8292761160 [0,0,0,0,0,0|0,0,1]=1
10  B26R3.529159723  CC1=C(N=CC=C1OCC(F)(F)F)CSC2=NC3=C(N2)C=CC=C3 MCULE-9196612619 [1,0,0,0,0,0|0,0,1]=2
11  B28R3.246978153  CC1=C(N=CC=C1OCC(F)(F)F)CS(=O)C2=NC3=C(N2)C=CC(=C3)O MCULE-4744237678 [0,1,0,0,0,0|0,0,0]=1
12  B28R3.399052583  CC1=CN=C(C(=C1OCC(F)(F)F)C)CS(=O)C2=NC3=C(N2)C=CC=C3 MCULE-2161786462 [0,1,0,0,0,0|0,0,0]=1
13  B28R3.399155189  CC1=C([N+](=CC=C1OCC(F)(F)F)[O-])CS(=O)C2=NC3=CC=CC=C3N2 MCULE-2636583456 [0,1,0,0,0,0|0,0,1]=2
14  B28R3.2010988810  CC1=C(N=CC=C1OCC(F)(F)F)CS(=O)(=O)C2=NC3=CC=CC=C3N2 MCULE-7733958464 [0,1,0,0,0,0|0,0,1]=2
15  B27R3.167481991  CC1=CC=C2N=C(NC2=C1)SCC3=NC=CC(=C3C)OCC(F)(F)F MCULE-5683678337 [1,1,0,0,0,0|0,0,1]=3
16  B27R3.270157595  CC1=CN=C(C(=C1OCC(F)(F)F)C)CSC2=NC3=C(N2)C=CC=C3 MCULE-4561947332 [1,1,0,0,0,0|0,0,1]=3
17  B29R3.3143964773  CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=C(C=C3N2)O)OCC(F)(F)F MCULE-1209150546 [0,2,0,0,0,0|0,0,1]=3