0  B31R5.162854075  S=C(N1C[C@@H]2C[C@@H](C1)c3n(C2)c(=O)ccc3)Nc4ccc5c(c4)OCCO5 Amb1086586 [0,0,0,0,0,0|2,0,2]=4
1  B31R5.162854075  S=C(N1C[C@@H]2C[C@@H](C1)c3n(C2)c(=O)ccc3)Nc4ccc5c(c4)cccn5 Amb1086839 [0,0,0,0,0,0|0,0,0]=0
2  B30R4.222498504  O=C(NC(=S)N1C[C@@H]2C[C@@H](C1)c3n(C2)c(=O)ccc3)\C=C\c4ccccc4 Amb10794115 [0,0,1,0,0,0|2,0,0]=3
3  B30R5.335651293  S=C(N1C[C@@H]2C[C@@H](C1)c3n(C2)c(=O)ccc3)Nc4ccc5c(c4)OCO5 Amb1087262 [0,0,0,0,1,0|2,0,1]=4
4  B31R4.888747837  O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c3n(C2)c(=O)ccc3)\C=C\c4ccc(cc4)F Amb10794107 [0,1,1,0,0,0|2,0,0]=4
5  B31R4.888747837  O=C1C=CC=C2C3CN(CC(C3)CN12)C(=S)NC(=O)\C=C\c4ccc(Br)cc4 Amb22570251 [0,1,1,0,0,0|2,0,0]=4
6  B31R4.888747837  O=C1C=CC=C2C3CN(CC(C3)CN12)C(=S)NC(=O)\C=C\c4ccc(F)cc4 Amb22569426 [0,1,1,0,0,0|2,0,0]=4
7  B31R4.888747837  O=C1C=CC=C2[C@@H]3CN(C[C@H](C3)CN12)C(=S)NC(=O)\C=C\c4ccc(F)cc4 Amb23478935 [0,1,1,0,0,0|2,0,0]=4
8  B31R5.162853917  O=C1C=CC=C2[C@@H]3CN(C[C@H](CN21)C3)C(=S)Nc4cccc5[n]cccc54 Amb24195640 [0,0,1,1,0,0|2,0,0]=4
9  B29R5.115425106  O=C1C=CC=C2C3CN(CC(C3)CN21)Cc4cc5ccccc5cc4 Amb19521825 [1,0,0,0,1,0|1,0,1]=4
10  B29R5.260181104  O=C1C=CC=C2C3CN(CC(CN12)C3)C(=O)c4cc5[s]c[n]c5cc4 Amb22698320 [0,0,0,0,2,0|1,1,0]=4