0  B18R2.7189  O[C@@H](C1=CC=CC=C1)CNCC2=CC=CC=C2      AK-43946 [0,1,0,0,0,0|2,0,0]=3
1  B18R3.2098  C(C1=NNC2=CC=CC=C12)C3=CC=CC=C3      AK111049 [0,0,0,1,0,0|3,0,0]=4
2  B18R3.2098  N1(CC2=CC=CC=C2)N=NC3=CC=CC=C31      AK149946 [0,0,0,1,0,0|3,0,0]=4
3  B18R3.2108  C1=CC=C(C=C1)[C@H]2C3=CC=CC=C3CCN2      AK-23529 [0,0,0,1,0,0|2,0,0]=3
4  B18R3.2108  C1=CC=CC2=C1C(NCC2)C3=CC=CC=C3      AK-23557 [0,0,0,1,0,0|2,0,0]=3
5  B18R3.2108  C1CC2=C(C=CC=C2)[C@H](N1)C3=CC=CC=C3      AK-67663 [0,0,0,1,0,0|2,0,0]=3
6  B16R2.2256  C(NCC1=NC=CC=C1)C2=NC=CC=C2      AK-81500 [0,0,0,0,1,0|3,0,0]=4
7  B16R2.2256  C1(N\N=C\C2=CC=CC=C2)=CC=CC=C1      AK167459 [0,0,0,0,1,0|2,0,1]=4
8  B16R2.2256  C1(OCCC2=CC=CC=C2)=CC=CC=C1      AK-84443 [0,0,0,0,1,0|1,1,0]=3
9  B17R2.143  CN(CC1=CC=CC=C1)CC2=CC=CC=C2      AK162499 [0,1,0,0,1,0|1,0,0]=3
10  B17R2.143  O=C(CC1=CC=CC=C1)CC2=CC=CC=C2      AK158939 [0,1,0,0,1,0|1,0,0]=3
11  B17R2.143  O=C(NC1=CC=CC=C1)CC2=CC=CC=C2      AK139966 [0,1,0,0,1,0|2,0,0]=4
12  B17R2.2342  CC(C1=CC=CC=C1)CCC2=CC=CC=C2      AK545141 [0,1,0,0,1,0|1,0,0]=3
13  B17R2.2342  C[C@@H](C1=CC=CC=C1)NCC2=CC=CC=C2      AK-41497 [0,1,0,0,1,0|1,0,0]=3
14  B17R2.2342  C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2      AK-41673 [0,1,0,0,1,0|1,0,0]=3
15  B17R2.2342  O=C(C1=CC=CC=C1)CCC2=CC=CC=C2      AK-93469 [0,1,0,0,1,0|1,0,1]=4
16  B17R2.2342  O=C(NCC1=CC=CC=C1)C2=CC=CC=C2      AK323209 [0,1,0,0,1,0|1,0,1]=4
17  B17R2.2342  OC(C1=CC=CC=C1)COC2=CC=CC=C2      AK318401 [0,1,0,0,1,0|1,1,0]=4
18  B19R2.16162  CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2      AK-59086 [0,1,0,0,0,1|2,0,0]=4
19  B19R2.16158  O=C(OCC1=CC=CC=C1)[C@H](O)C2=CC=CC=C2      AK115949 [0,2,0,0,0,0|1,1,0]=4
20  B19R3.294  O=C1NC(C2=CC=CC=C2)C3=C(C=CC=C3)C1      AK-93517 [0,1,0,1,0,0|2,0,0]=4
21  B15R2.2195  C1(OCC2=CC=CC=C2)=CC=NC=C1      AK140678 [0,0,0,0,2,0|1,1,0]=4
22  B15R2.2195  C1(SCC2=CC=CC=C2)=CC=CC=C1      AK116684 [0,0,0,0,2,0|0,0,0]=2
23  B15R2.2195  C1(SSC2=NC=CC=C2)=NC=CC=C1      AK-94787 [0,0,0,0,2,0|2,0,0]=4
24  B19R2.2628  C1(CNCCNCC2=CC=CC=C2)=CC=CC=C1      AK-65290 [0,0,0,0,0,2|2,0,0]=4