0  B14R2.3  C#CCNC1CCC2=C1C=CC=C2 7166AJ [0,0,0,0,0,0|0,0,0]=0
1  B13R2.1  C#CCN1N=NC2=C1C=CC=C2 6953AA [1,0,0,0,0,0|3,0,0]=4
2  B13R2.1  NCCC1CNC2=C1C=CC=C2 X9777 [1,0,0,0,0,0|2,0,1]=4
3  B15R2.73  C#CCN(C)[C@@H]1CCC2=C1C=CC=C2 4804AJ [0,1,0,0,0,0|0,0,0]=1
4  B13R1.26  COC(CCC#N)C1=CC=CC=C1 8550AE [0,0,1,0,0,0|3,0,0]=4
5  B13R1.28  N#CCCNCCC1=CC=CC=C1 4579AD [0,0,1,0,0,0|3,0,0]=4
6  B13R1.674  C#CCNC(=O)C1=C(N)C=CC=C1 4254AE [0,0,1,0,0,0|2,0,1]=4
7  B12R1.3  CCN[C@H](CO)C1=CC=CC=C1 1422AA [1,0,1,0,0,0|1,0,1]=4
8  B12R1.30  C[C@@H](NCCO)C1=CC=CC=C1 2547AC [1,0,1,0,0,0|1,0,1]=4
9  B12R1.8  N#CCCNCC1=CC=CC=C1 1395AF [1,0,1,0,0,0|2,0,0]=4
10  B12R1.267  CC1=CC=CC=C1CNCCN 6860AE [1,0,1,0,0,0|1,0,1]=4
11  B12R2.1  CNC1CCC2=C1C=CC=C2 4380AJ [2,0,0,0,0,0|0,0,0]=2
12  B12R2.1  N#CC1CCC2=C1C=CC=C2 Z4520 [2,0,0,0,0,0|1,0,0]=3
13  B12R2.1  NCC1CCC2=C1C=CC=C2 8443AH [2,0,0,0,0,0|1,0,0]=3
14  B14R2.6  C1=CC=C(CC2CNCCN2)C=C1 W8711 [0,0,1,1,0,0|1,0,1]=4
15  B14R2.101  C1=CC=C(CCC2CCCN2)C=C1 4774AH [0,0,1,1,0,0|0,0,2]=4
16  B14R2.7150  NCCN1CCCC2=C1C=CC=C2 4747AH [0,0,1,1,0,0|1,0,1]=4
17  B14R2.7150  NCCN1CCCC2=CC=CC=C21 4780AH [0,0,1,1,0,0|1,0,1]=4
18  B14R2.93  N#CC1CCC2=CC=CC=C2CC1 3367AJ [0,0,1,1,0,0|2,0,0]=4
19  B14R2.112  NCCN1CCC2=C(C=CC=C2)C1 V6454 [0,0,1,1,0,0|1,0,1]=4
20  B16R3.748214  C1=CC2=C(C=C1)CC3(CC2)NCCS3 2439AD [0,0,0,1,0,1|1,0,1]=4