0  B21R3.397717  OC1=C2CC[C@@H](CC2=CC=C1)NCCC3=CC=CS3 MCULE-4644624499 [0,0,0,0,0,0|0,0,0]=0
1  B21R3.397717  OC1=C2CC[C@@H](CC2=CC=C1)NCCC3=CC=CS3 MCULE-7909557710 [0,0,0,0,0,0|0,0,0]=0
2  B20R3.105088  C1=CC2=C(C=C1)CC(CC2)NCCC3=CNC=N3 MCULE-4494555625 [1,0,0,0,0,0|2,0,0]=3
3  B20R3.105088  C1=CC2=C(C=C1)CC(CC2)NCCN3C=CN=N3 MCULE-9200105945 [1,0,0,0,0,0|3,0,0]=4
4  B20R3.105088  C1=CC=C2OCC(CC2=C1)NCCC3=CSC=N3 MCULE-9531103650 [1,0,0,0,0,0|3,0,0]=4
5  B22R3.1146519  COC1=C2CCC(CC2=CC=C1)NCCC3=CC=CS3 MCULE-3440221411 [0,1,0,0,0,0|0,0,0]=1
6  B22R3.1146519  COC1=C2CC[C@@H](CC2=CC=C1)NCCC3=CC=CS3 MCULE-6165693114 [0,1,0,0,0,0|0,0,0]=1
7  B22R3.1146519  COC1=C2CC[C@@H](CC2=CC=C1)NCCC3=CC=CS3 MCULE-9834822216 [0,1,0,0,0,0|0,0,0]=1
8  B22R3.1146519  COC1=C2OCC(CC2=CC=C1)NCCC3=CC=CO3 MCULE-6075860445 [0,1,0,0,0,0|1,1,0]=3
9  B22R3.1146519  COC1=C2OCC(CC2=CC=C1)NCCN3C=CC=N3 MCULE-2420037594 [0,1,0,0,0,0|3,0,0]=4
10  B22R3.1146519  COC1=CC=CC2=C1CCC(C2)NCCC3=CC=CS3 MCULE-4492821788 [0,1,0,0,0,0|0,0,0]=1
11  B22R3.1146519  COC1=CC=CC2=C1CCC(C2)NCCC3=CC=CS3 MCULE-7823924900 [0,1,0,0,0,0|0,0,0]=1
12  B22R3.1146519  COC1=CC=CC2=C1CCC(C2)NCCC3=CC=CS3 MCULE-8012220203 [0,1,0,0,0,0|0,0,0]=1
13  B22R3.1146519  COC1=CC=CC2=C1CC[C@@H](C2)NCCC3=CC=CS3 MCULE-1214039587 [0,1,0,0,0,0|0,0,0]=1
14  B22R3.1146519  COC1=CC=CC2=C1CC[C@@H](C2)NCCC3=CC=CS3 MCULE-8268324905 [0,1,0,0,0,0|0,0,0]=1
15  B19R2.113698  O=C(CCC1=CC=CC=C1)NCCC2=CC=CS2 MCULE-2195906554 [1,0,1,0,0,0|1,0,1]=4
16  B21R3.732186  COC1=C2OCC(CC2=CC=C1)NCC3=NC=CS3 MCULE-9822041066 [0,1,0,0,1,0|2,0,0]=4
17  B23R3.1518372  COC1=C2OCC(CC2=CC=C1)NCCC3=NC=CN=C3 MCULE-2770214343 [0,1,0,0,0,1|2,0,0]=4
18  B21R3.397713  OC1=C2CCC(CC2=CC=C1)NCC3=CC=CC=C3 MCULE-3529607184 [0,0,1,1,0,0|1,0,1]=4
19  B21R3.397713  OC1=C2CCC(CC2=CC=C1)NCC3=CC=CC=C3 MCULE-5445520612 [0,0,1,1,0,0|1,0,1]=4
20  B19R3.19192  C1=CC2=C(C=C1)CC(C2)NCCC3=CNC=N3 MCULE-3311738556 [1,0,0,0,1,0|2,0,0]=4
21  B19R3.62425  C1=COC(=C1)CNC2CCC3=C(C2)C=CC=C3 MCULE-6147167051 [1,0,0,0,1,0|0,1,0]=3
22  B21R3.47750  C1=CN=C(C=C1)CCNC2CCC3=C(C2)C=CC=C3 MCULE-8355028829 [1,0,0,0,0,1|1,0,0]=3