0  B12R2.24  IC1=CN=C2C=CC=NC2=C1 HC010-1 [1,0,0,0,0,0|3,0,0]=4
1  B12R2.24  NC1=CN=C2C=CC=NC2=C1 HC030-1 [1,0,0,0,0,0|3,0,0]=4
2  B12R2.24  OC1=CN=C2C=CC=NC2=C1 HC021-1 [1,0,0,0,0,0|2,0,0]=3
3  B11R2.20  C1=CC2=CN=CC=C2N=C1 HC001-1 [2,0,0,0,0,0|2,0,0]=4
4  B13R1.152  N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O TL040-1 [0,1,1,0,0,0|0,0,2]=4
5  B13R1.152  N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O TD050-1 [0,1,1,0,0,0|0,0,2]=4
6  B13R1.152  N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O RC266-1 [0,1,1,0,0,0|0,0,2]=4
7  B13R1.418  O=C(O)[C@@H](CO)CC1=CC=CC=C1 RC451-1 [0,1,1,0,0,0|0,0,2]=4
8  B13R2.32  OC1=CN=C2C=CC=NC2=C1I HC025-1 [1,1,0,0,0,0|2,0,0]=4
9  B13R2.57  COC1=CN=C2C=CC=NC2=C1 HC027-1 [1,1,0,0,0,0|2,0,0]=4
10  B13R2.57  OCC1=CN=C2C=CC=NC2=C1 HC039-1 [1,1,0,0,0,0|2,0,0]=4
11  B15R2.984  OB(O)C1=C(Br)N=C2C=CC=CC2=C1 BA517-1 [0,2,0,0,0,0|2,0,0]=4
12  B11R1.36  O=C(O)[C@@H](Br)C1=CC=CC=C1 RC449-1 [0,0,1,0,1,0|1,0,1]=4
13  B11R1.36  O=C(O)[C@@H](Cl)C1=CC=CC=C1 RC484-1 [0,0,1,0,1,0|1,0,1]=4
14  B11R2.36  OC1=CN=C2C=CNC2=C1 HC125-1 [1,0,0,0,1,0|2,0,0]=4
15  B11R2.36  OC1=CN=C2C=COC2=C1 HC327-1 [1,0,0,0,1,0|2,0,0]=4
16  B11R2.36  OC1=CN=C2NC=CC2=C1 HC048-1 [1,0,0,0,1,0|2,0,0]=4
17  B13R1.351  O=C(O)[C@H](O)\C=C\C1=CC=CC=C1 RC453-1 [0,0,1,0,0,1|0,0,1]=3