0  B22R3.12627361  CNCCC=C1c2ccccc2CCc3c1cccc3 CHEBI:7640 [0,0,0,0,0,0|1,0,1]=2
1  B22R3.12627361  CNCCCC1c2ccccc2C=Cc3c1cccc3 CHEBI:8597 [0,0,0,0,0,0|1,0,2]=3
2  B22R3.12627361  CNCCCN1c2ccccc2CCc3c1cccc3 CHEBI:4449 [0,0,0,0,0,0|0,0,0]=0
3  B22R3.12627361  CNCCCN1c2ccccc2CCc3c1cccc3 CHEBI:47781 [0,0,0,0,0,0|0,0,0]=0
4  B22R3.12627361  C[NH2+]CCCC1c2ccccc2C=Cc3c1cccc3 CHEBI:8598 [0,0,0,0,0,0|1,0,3]=4
5  B23R3.26139327  CN(C)CCC=C1c2ccccc2CCc3c1cccc3 CHEBI:2666 [0,1,0,0,0,0|1,0,1]=3
6  B23R3.26139327  CN(C)CCCN1c2ccccc2CCc3c1cccc3 CHEBI:47499 [0,1,0,0,0,0|0,0,0]=1
7  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2COc3c1cccc3 CHEBI:36691 [0,1,0,0,0,0|2,0,1]=4
8  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2COc3c1cccc3 CHEBI:4710 [0,1,0,0,0,0|2,0,1]=4
9  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36798 [0,1,0,0,0,0|2,0,1]=4
10  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36802 [0,1,0,0,0,0|2,0,1]=4
11  B23R3.26139327  CN(C)CC\C=C\1/c2ccccc2CSc3c1cccc3 CHEBI:36803 [0,1,0,0,0,0|2,0,1]=4
12  B23R3.26139327  C[NH+](C)CCCN1c2ccccc2CCc3c1cccc3 CHEBI:5882 [0,1,0,0,0,0|0,0,1]=2
13  B22R3.16182945  CN(C)CCCN1c2ccccc2Sc3c1cccc3 CHEBI:8459 [0,1,0,0,1,0|1,0,0]=3
14  B22R3.16182945  CN(C)CCCN1c2ccccc2Sc3c1cccc3 CHEBI:8460 [0,1,0,0,1,0|1,0,0]=3
15  B24R3.115675198  CC(CN1c2ccccc2CCc3c1cccc3)CN(C)C CHEBI:9738 [0,2,0,0,0,0|0,0,0]=2
16  B24R3.115675198  CC(C[NH+]1c2ccccc2CCc3c1cccc3)C[NH+](C)C CHEBI:35030 [0,2,0,0,0,0|0,0,2]=4
17  B24R3.118819978  CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CHEBI:3755 [0,2,0,0,0,0|0,0,0]=2
18  B24R3.118819978  CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CHEBI:47780 [0,2,0,0,0,0|0,0,0]=2
19  B24R3.118819978  C[NH+](C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CHEBI:64209 [0,2,0,0,0,0|0,0,1]=3