0  B9R0.45  CCCCCCCNC=O HPL [1,0,0,0,0,0|1,0,2]=4
1  B9R0.45  CCCCCONCC=O AOP [1,0,0,0,0,0|2,0,1]=4
2  B11R1.28  CCCCCc1ccccc1 3H2 [0,0,0,1,0,0|1,0,0]=2
3  B11R1.28  c1ccc(cc1)CCCCN PBN [0,0,0,1,0,0|2,0,0]=3
4  B8R0.4  CCCCCCCC=O OYA [2,0,0,0,0,0|0,0,2]=4
5  B10R0.91  CCCCC[C@H](C=CC=O)O HNE [1,1,0,0,0,0|0,0,1]=3
6  B10R1.4  CCCc1ccccc1N PRY [1,0,0,1,0,0|1,0,1]=4
7  B10R1.4  CCCc1ccccc1O JZ4 [1,0,0,1,0,0|0,0,2]=4
8  B10R1.17  CCCCc1ccccc1 N4B [1,0,0,1,0,0|0,0,1]=3
9  B10R1.17  c1ccc(cc1)CCCCl LT1 [1,0,0,1,0,0|1,0,1]=4
10  B10R1.17  c1ccc(cc1)CCC[NH3+] PRA [1,0,0,1,0,0|1,0,1]=4
11  B12R1.8  CCCCCCc1ccccc1 3GZ [0,1,0,1,0,0|1,0,0]=3
12  B12R1.455  c1cc(oc1CSCCN)C=O 3EC [0,1,0,1,0,0|2,0,0]=4
13  B12R1.386  CCCCn1c(ccn1)C(=O)O XXB [0,1,0,1,0,0|2,0,0]=4
14  B12R2.2  c1ccc(cc1)[C@H]2CCCN2 96B [0,0,0,2,0,0|2,0,0]=4
15  B12R2.1081  C[C@@H]1c2ccccc2CCN1 YLG [0,0,0,2,0,0|2,0,0]=4
16  B12R2.1081  c1cc2c(c(c1)O)CCCC2 TN1 [0,0,0,2,0,0|0,0,2]=4
17  B12R2.1081  c1ccc2c(c1)CCC[C@H]2N 1Y5 [0,0,0,2,0,0|2,0,0]=4
18  B12R2.1  CN[C@@H]1CCc2c1cccc2 RM1 [0,0,0,2,0,0|2,0,0]=4