0  B21R3.28034116  CC1CCC2=CC(=CC3=C2N1C=C(C3=O)C(=O)O)F MCULE-1576355150 [0,0,0,0,0,0|0,0,0]=0
1  B20R3.7252633  CC1=CC2=C3C(=C1)CCCN3C=C(C2=O)C(=O)O MCULE-4710641468 [1,0,0,0,0,0|1,0,0]=2
2  B22R3.241034982  CC1=C2CCC(N3C2=C(C(=O)C(=C3)C(=O)O)C=C1F)C MCULE-9540887710 [0,1,0,0,0,0|0,0,0]=1
3  B22R3.241034982  CC1CCC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)F MCULE-6373422957 [0,1,0,0,0,0|0,0,0]=1
4  B22R3.241034982  CC1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)F MCULE-8118818686 [0,1,0,0,0,0|1,0,0]=2
5  B22R3.241034982  CC1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)F MCULE-9933508013 [0,1,0,0,0,0|1,0,0]=2
6  B22R3.241034982  C[C@@H]1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)F MCULE-3064650109 [0,1,0,0,0,0|1,0,0]=2
7  B22R3.241034982  C[C@H]1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)F MCULE-4885602302 [0,1,0,0,0,0|1,0,0]=2
8  B22R3.241034982  C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O MCULE-6820561289 [0,1,0,0,0,0|1,0,0]=2
9  B22R3.298909056  CC1CC(C2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O)O MCULE-2507013871 [0,1,0,0,0,0|0,0,0]=1
10  B20R3.62866689  CC1CC2=CC(=CC3=C2N1C=C(C3=O)C(=O)O)Br MCULE-3112163293 [0,0,0,0,1,0|0,1,0]=2
11  B19R2.249095  CCCN1C=C(C(=O)C2=CC(=CC=C12)C)C(=O)O MCULE-4559350860 [1,0,1,0,0,0|1,0,0]=3
12  B19R2.249095  CCCN1C=C(C(=O)C2=CC(=CC=C12)F)C(=O)O MCULE-4208777709 [1,0,1,0,0,0|0,0,0]=2
13  B19R2.504686  CC(C)N1C=C(C(=O)C2=CC(=CC=C12)Cl)C(=O)O MCULE-7262263817 [1,0,1,0,0,0|0,1,0]=3
14  B19R2.504686  CC(C)N1C=C(C(=O)C2=CC(=CC=C12)F)C(=O)O MCULE-6313112749 [1,0,1,0,0,0|0,0,0]=2
15  B19R2.1458880  CCN1C=C(C(=O)C2=CC=CC(=C12)OC)C(=O)O MCULE-9248103298 [1,0,1,0,0,0|1,0,0]=3
16  B19R3.2410272  O=C(O)C1=CN2CCCC3=C2C(=CC=C3)C1=O MCULE-5748573806 [2,0,0,0,0,0|0,0,0]=2
17  B19R3.2410272  O=C(O)C1=CN2CCNC3=C2C(=CC=C3)C1=O MCULE-7436892189 [2,0,0,0,0,0|1,0,0]=3
18  B21R3.7297018  CC(=O)C1=C(C2=C3C(=CC=C2)CCC(N3C1=O)C)O MCULE-4120509441 [1,1,0,0,0,0|1,0,1]=4
19  B21R3.39939699  C[C@H]1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)F MCULE-6379582476 [1,1,0,0,0,0|1,0,0]=3
20  B21R3.193030506  CC1=CC2=C3C(=C1)CCCN3C=C(C2=O)C(=O)NN MCULE-8134996325 [1,1,0,0,0,0|2,0,0]=4
21  B23R3.493229237  CC1CC(=O)C2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O MCULE-5249712970 [0,2,0,0,0,0|0,0,1]=3
22  B23R3.705211864  CCOC(=O)C1=CN2C3=C(C=C(C=C3C1=O)F)CCC2C MCULE-5527201347 [0,2,0,0,0,0|0,0,0]=2
23  B19R3.1714988  CC1CC2=CC=CC3=C2N1C=C(C3=O)C(=O)N MCULE-9181421361 [1,0,0,0,1,0|1,0,0]=3
24  B19R3.1714988  CC1CC2=CC=CC3=C2N1C=C(C3=O)C(=O)O MCULE-6451289409 [1,0,0,0,1,0|0,0,0]=2
25  B19R3.561806  NC(=O)C1=CN2CCC3=CC(=CC(=C23)C1=O)Br MCULE-3158177879 [1,0,0,0,1,0|1,1,0]=4
26  B19R3.561806  O=C(O)C1=CN2CCC3=CC(=CC(=C23)C1=O)Br MCULE-2242024273 [1,0,0,0,1,0|0,1,0]=3