0  B18R3.11  c1cc2c(c(c1)CC3=NCCN3)CCCC2 TS44573 [0,0,0,0,0,0|0,0,4]=4
1  B18R3.11  c1ccc2c(c1)cccc2CC3=NCCN3 TS74356 [0,0,0,0,0,0|0,0,0]=0
2  B19R3.167539  c1ccc2c(c1)c(ccc2Cl)CC3=NCCN3 TS27242 [0,1,0,0,0,0|0,0,0]=1
3  B17R2.322318  CCCC(=O)Oc1cccc2c1cccc2 TS44520 [0,0,1,0,0,0|3,0,0]=4
4  B17R2.322318  CCOC(=O)Cc1cccc2c1cccc2 TS44523 [0,0,1,0,0,0|2,0,0]=3
5  B17R3.2679  c1ccc2c(c1)cccc2C3CCCN3 TS65612 [0,0,0,0,1,0|1,0,1]=3
6  B17R3.2679  c1ccc2c(c1)cccc2N3CCCC3 TS53884 [0,0,0,0,1,0|3,0,0]=4
7  B17R3.2679  c1ccc2c(c1)cccc2c3ccc[nH]3 TS17701 [0,0,0,0,1,0|1,0,2]=4
8  B17R3.2679  c1ccc2c(c1)cccc2c3nnco3 TS53655 [0,0,0,0,1,0|2,0,1]=4
9  B17R3.2681  c1ccc2c(c1)c(c[nH]2)SC3=NCCN3 TS49306 [0,0,0,0,1,0|2,0,0]=3
10  B19R3.28  c1ccc2c(c1)cccc2CN3CCNCC3 TS24228 [0,0,0,0,0,1|3,0,0]=4
11  B16R2.170412  CCC(=O)Oc1cccc2c1cccc2 TS19021 [1,0,1,0,0,0|2,0,0]=4
12  B16R2.170412  CNC(=O)Oc1cccc2c1cccc2 TS38094 [1,0,1,0,0,0|2,0,0]=4
13  B16R2.170412  COC(=O)Cc1cccc2c1cccc2 TS37910 [1,0,1,0,0,0|2,0,0]=4
14  B16R2.170412  c1ccc2c(c1)cccc2CC(=NO)N TS19028 [1,0,1,0,0,0|1,0,0]=3
15  B18R2.2462422  CCOC(=O)C(c1cccc2c1cccc2)Br TS35585 [0,1,1,0,0,0|2,0,0]=4
16  B20R3.418  CN1CCC[C@H]1CNc2cccc3c2cccc3 TS26573 [0,1,0,0,0,1|1,0,1]=4
17  B18R3.2108  c1ccc2c(c1)cccc2C3CNCCN3 TS65611 [0,0,1,1,0,0|0,0,2]=4
18  B18R3.2108  c1ccc2c(c1)cccc2C3CSCCN3 TS52887 [0,0,1,1,0,0|1,0,1]=4
19  B16R2.160202  CCOC(=O)c1cccc2c1cccc2 TS19004 [0,0,1,0,1,0|2,0,0]=4