0  B23R3.26139327  CN(C)CCC=C1c2ccccc2C=Cc3c1cccc3 CHEBI:3996 [0,0,0,0,0,0|1,0,1]=2
1  B23R3.26139327  CN(C)CCC=C1c2ccccc2C=Cc3c1cccc3 CHEBI:3997 [0,0,0,0,0,0|1,0,1]=2
2  B23R3.26139327  CN(C)CCC=C1c2ccccc2CCc3c1cccc3 CHEBI:2666 [0,0,0,0,0,0|1,0,0]=1
3  B23R3.26139327  CN(C)CCCN1c2ccccc2CCc3c1cccc3 CHEBI:47499 [0,0,0,0,0,0|2,0,1]=3
4  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2COc3c1cccc3 CHEBI:36691 [0,0,0,0,0,0|0,0,0]=0
5  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2COc3c1cccc3 CHEBI:4710 [0,0,0,0,0,0|0,0,0]=0
6  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36798 [0,0,0,0,0,0|0,1,0]=1
7  B23R3.26139327  CN(C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36802 [0,0,0,0,0,0|0,1,0]=1
8  B23R3.26139327  CN(C)CC\C=C\1/c2ccccc2CSc3c1cccc3 CHEBI:36803 [0,0,0,0,0,0|0,1,0]=1
9  B23R3.26139327  C[NH+](C)CCCN1c2ccccc2CCc3c1cccc3 CHEBI:5882 [0,0,0,0,0,0|2,0,2]=4
10  B23R3.26139327  C[NH+](C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:31519 [0,0,0,0,0,0|0,1,1]=2
11  B23R3.26139327  C[NH+](C)CC\C=C/1\c2ccccc2CSc3c1cccc3 CHEBI:36804 [0,0,0,0,0,0|0,1,1]=2
12  B23R3.26139327  C[NH+](C)CC\C=C\1/c2ccccc2CSc3c1cccc3 CHEBI:36805 [0,0,0,0,0,0|0,1,1]=2
13  B22R3.12627361  CNCCC=C1c2ccccc2CCc3c1cccc3 CHEBI:7640 [1,0,0,0,0,0|1,0,0]=2
14  B22R3.12627361  CNCCCN1c2ccccc2CCc3c1cccc3 CHEBI:4449 [1,0,0,0,0,0|2,0,1]=4
15  B22R3.12627361  CNCCCN1c2ccccc2CCc3c1cccc3 CHEBI:47781 [1,0,0,0,0,0|2,0,1]=4
16  B24R3.115675198  CC(CN1c2ccccc2CCc3c1cccc3)CN(C)C CHEBI:9738 [0,1,0,0,0,0|2,0,1]=4
17  B24R3.118819978  CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CHEBI:3755 [0,1,0,0,0,0|2,0,1]=4
18  B24R3.118819978  CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl CHEBI:47780 [0,1,0,0,0,0|2,0,1]=4
19  B22R3.16182945  CN(C)CCCN1c2ccccc2Sc3c1cccc3 CHEBI:8459 [0,0,0,0,1,0|1,1,1]=4
20  B22R3.16182945  CN(C)CCCN1c2ccccc2Sc3c1cccc3 CHEBI:8460 [0,0,0,0,1,0|1,1,1]=4
21  B21R2.205989  Cc1ccccc1C(c2ccccc2)OCCN(C)C CHEBI:7789 [1,0,1,0,0,0|1,0,1]=4
22  B21R2.205989  Cc1ccccc1C(c2ccccc2)OCCN(C)C CHEBI:7790 [1,0,1,0,0,0|1,0,1]=4
23  B23R3.10324912  CN(C)CC\C=C/1\c2ccccc2Sc3c1cc(cc3)Cl CHEBI:50931 [0,1,0,0,1,0|0,1,0]=3
24  B23R3.10324912  CN(C)CC\C=C\1/c2ccccc2Sc3c1cc(cc3)Cl CHEBI:3651 [0,1,0,0,1,0|0,1,0]=3
25  B23R3.10324912  CN(C)CC\C=C\1/c2ccccc2Sc3c1cc(cc3)Cl CHEBI:50932 [0,1,0,0,1,0|0,1,0]=3
26  B25R4.17983575  CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1 CHEBI:4046 [0,1,0,1,0,0|1,0,1]=4
27  B25R4.17983575  CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1 CHEBI:59695 [0,1,0,1,0,0|1,0,1]=4
28  B25R4.17983575  CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1 CHEBI:650917 [0,1,0,1,0,0|1,0,1]=4
29  B25R4.17983575  CN1CCC(=C2c3ccccc3CCc4c2nccc4)CC1 CHEBI:2946 [0,1,0,1,0,0|2,0,0]=4
30  B25R4.17983575  CN1CCC(=C2c3ncccc3CCc4c2cccc4)CC1 CHEBI:2947 [0,1,0,1,0,0|2,0,0]=4