0  B20R2.2720770  c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)N TS23019 [0,0,0,0,0,0|0,0,0]=0
1  B19R2.13509  c1ccc(cc1)C(=O)c2cccc(c2)CC(=O)O TS26516 [1,0,0,0,0,0|1,0,0]=2
2  B21R2.19181  c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O TS78107 [0,1,0,0,0,0|1,0,0]=2
3  B21R2.19181  c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)[O-] TS65192 [0,1,0,0,0,0|1,0,0]=2
4  B18R2.7469  c1ccc(cc1)C(=O)c2cccc(c2)CC#N TS23313 [2,0,0,0,0,0|0,0,2]=4
5  B18R2.312  c1ccc(cc1)Oc2cccc(c2)CC(=O)O TS52634 [2,0,0,0,0,0|2,0,0]=4
6  B20R2.24692  CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O TS64909 [1,1,0,0,0,0|1,0,0]=3
7  B20R2.24692  CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O TS81083 [1,1,0,0,0,0|1,0,0]=3
8  B20R3.14313  c1ccc(cc1)C(=O)c2cccc3c2NC(=O)C3 TS26063 [1,0,0,1,0,0|0,0,0]=2
9  B20R3.3478490  CC(=O)Nc1cccc2c1-c3ccccc3C2=O TS56960 [1,0,0,1,0,0|2,0,0]=4
10  B20R3.3479688  c1ccc2c(c1)c(=O)c3cccc(c3[nH]2)C(=O)O TS57223 [0,0,0,1,1,0|1,0,0]=3
11  B18R2.7116  CC(=O)c1cccc(c1)C(=O)c2ccccc2 TS23847 [1,0,0,0,1,0|1,0,0]=3
12  B18R2.7116  c1ccc(cc1)C(=O)c2cccc(c2)C(=O)O TS24159 [1,0,0,0,1,0|1,0,0]=3
13  B18R2.7116  c1ccc(cc1)C(=O)c2cccc(c2)[N+](=O)[O-] TS52488 [1,0,0,0,1,0|2,0,0]=4