0  B13R2.10  C[C@H]1CCC(C2=CC=CC=C2)N1 SPC-k317 [0,0,0,0,0,0|2,0,2]=4
1  B13R2.10  NC1=NNC(C2=CC=CC=C2)=C1 SPC-n227 [0,0,0,0,0,0|3,0,1]=4
2  B13R2.10  O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,0,0,0,0,0|2,0,1]=3
3  B13R2.10  O=C1N[C@H](C2=CC=CC=C2)CS1 SPC-p599 [0,0,0,0,0,0|1,1,1]=3
4  B13R2.10  S=C1N[C@H](C2=CC=CC=C2)CS1 SPC-k343 [0,0,0,0,0,0|1,1,1]=3
5  B12R2.2  C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [1,0,0,0,0,0|1,0,2]=4
6  B12R2.2  C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [1,0,0,0,0,0|2,0,1]=4
7  B12R2.2  C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [1,0,0,0,0,0|2,0,1]=4
8  B12R2.2  C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [1,0,0,0,0,0|2,0,1]=4
9  B12R2.2  C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [1,0,0,0,0,0|2,0,1]=4
10  B12R2.22  NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,0,0,0,1,0|1,0,1]=3
11  B12R2.22  NC1CN(C2=CC=CC=C2)C1 SPC-q680 [0,0,0,0,1,0|2,0,1]=4
12  B12R2.22  N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,0,0,0,1,0|1,0,1]=3
13  B12R2.22  O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,0,0,0,1,0|2,0,0]=3
14  B12R2.23  O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,0,0,0,1,0|2,0,0]=3
15  B14R2.68  O=C1CN[C@@H](C2=CC=CC=C2)CO1 SPC-q932 [0,0,0,0,0,1|1,0,1]=3
16  B11R1.91  CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,0,1,0,0,0|2,0,0]=4
17  B13R2.238  NC1CC(O)(C2=CC=CC=C2)C1 SPC-v230 [0,1,0,0,1,0|1,0,1]=4
18  B13R2.423  O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,0,1,1,0,0|2,0,0]=4
19  B13R2.423  O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-k405 [0,0,1,1,0,0|2,0,0]=4
20  B13R2.423  O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-s009 [0,0,1,1,0,0|2,0,0]=4
21  B13R2.423  O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n632 [0,0,1,1,0,0|2,0,0]=4
22  B13R2.423  O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-s016 [0,0,1,1,0,0|2,0,0]=4
23  B13R2.423  O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 SPC-s013 [0,0,1,1,0,0|2,0,0]=4
24  B11R1.40  COC(=O)CC1=NC=CC=C1 SPC-j372 [0,0,1,0,1,0|2,0,0]=4
25  B11R2.239  C1=CC=C(C2COC2)C=C1 SPC-a273 [1,0,0,0,1,0|0,0,1]=3
26  B11R2.4  NC1CC1C2=CC=CC=C2 SPC-q828 [0,0,0,0,2,0|0,0,1]=3
27  B11R2.4  N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [0,0,0,0,2,0|0,0,1]=3
28  B11R2.4  N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [0,0,0,0,2,0|0,0,1]=3