0  B17R2.71190  CCC1=CC=CC(=C1NC2=NCCN2)CC MCULE-3111354800 [0,0,0,0,0,0|1,0,0]=1
1  B17R2.71190  CCC1=CC=CC(=C1NC2=[NH+]CCN2)CC MCULE-2800951923 [0,0,0,0,0,0|1,0,1]=2
2  B16R1.2234  CCNC(=S)NC1=C(C=CC=C1CC)CC MCULE-7209669190 [0,0,1,0,0,0|2,0,0]=3
3  B15R1.1604  CCC(=O)NC1=C(C=CC=C1CC)CC MCULE-5114295622 [1,0,1,0,0,0|2,0,0]=4
4  B15R1.2560  CCNC(=O)NC1=C(C=CC=C1C)CC MCULE-6006315266 [1,0,1,0,0,0|2,0,0]=4
5  B15R2.15371  CC1=CC=CC(=C1NC2=NCCN2)C MCULE-8658291527 [2,0,0,0,0,0|1,0,0]=3
6  B15R2.15371  CC1=CC=CC(=C1NC2=NCCS2)C MCULE-3990484846 [2,0,0,0,0,0|2,0,0]=4
7  B17R1.169247  CCC1=CC=CC(=C1NC(=O)NCCCl)CC MCULE-3395034437 [0,1,1,0,0,0|2,0,0]=4
8  B17R1.169247  CCC1=CC=CC(=C1NC(=O)NCCO)CC MCULE-1161927874 [0,1,1,0,0,0|2,0,0]=4
9  B17R1.169247  CCCNC(=S)NC1=C(C=CC=C1CC)CC MCULE-2580571445 [0,1,1,0,0,0|2,0,0]=4