0  B17R2.353364  NCC(O)COC1=CC=CC2=CC=CC=C12 PH013553 [0,0,0,0,0,0|0,0,0]=0
1  B16R2.50359  BrCCCNC1=CC=CC2=CC=CC=C12 PH013734 [1,0,0,0,0,0|2,0,0]=3
2  B16R2.179941  O=C(O)CCC1=CC=CC2=C1C=CC=C2 R244961 [1,0,0,0,0,0|2,0,1]=4
3  B16R2.179941  O=C(O)COC1=CC=CC2=C1N=CC=C2 R549339 [1,0,0,0,0,0|2,0,1]=4
4  B16R2.179941  O=C(O)COC1=CC=CC2=C1N=CC=C2 S835307 [1,0,0,0,0,0|2,0,1]=4
5  B16R2.179941  O=C(O)COC1=CC=CC2=CC=CN=C12 CDS010655 [1,0,0,0,0,0|2,0,1]=4
6  B16R2.170412  CCC(=O)OC1=CC=CC2=C1C=CC=C2 R752010 [0,0,0,0,1,0|1,0,2]=4
7  B16R2.170412  CCC(C)OC1=CC=CC2=C1C=CC=C2 S663336 [0,0,0,0,1,0|2,0,0]=3
8  B16R2.170412  CCC(O)CC1=CC=CC2=C1C=CC=C2 S494844 [0,0,0,0,1,0|1,0,0]=2
9  B16R2.170412  NNC(=O)CC1=CC=CC2=C1C=CC=C2 S435899 [0,0,0,0,1,0|1,0,2]=4
10  B15R2.18471  CCOCC1=CC=CC2=C1C=CC=C2 S349445 [2,0,0,0,0,0|2,0,0]=4
11  B15R2.18471  NCCOC1=C2N=CC=CC2=CC=C1 CBR01725 [2,0,0,0,0,0|1,0,0]=3
12  B15R2.18471  OCCNC1=CC=CC2=C1C=CC=C2 S412546 [2,0,0,0,0,0|1,0,0]=3
13  B17R2.148072  COCCCNC1=CC=CC2=C1C=CC=C2 PH010297 [1,1,0,0,0,0|2,0,0]=4
14  B17R2.291558  CN(C)CCOC1=C2C=CC=CC2=CC=C1 L159476 [1,1,0,0,0,0|2,0,0]=4
15  B17R2.291558  O=C(O)CCOC1=CC=CC2=C1C=CC=C2 S888281 [1,1,0,0,0,0|1,0,1]=4
16  B17R2.520754  CC(OC1=CC=CC2=C1C=CC=C2)C(=O)O S671622 [1,1,0,0,0,0|1,0,1]=4
17  B17R2.520754  CC(OC1=CC=CC2=C1C=CC=C2)C(=O)O S672181 [1,1,0,0,0,0|1,0,1]=4
18  B17R2.556  NCC(O)CNC1=CC2=CC=CC=C2C=C1 PH013414 [0,0,1,1,0,0|1,0,0]=3
19  B17R3.1965  C1=CC=C2C(=C1)C=CC=C2OCC3CO3 PH000101 [1,0,0,1,0,0|1,0,0]=3
20  B17R3.4465  O=C1CCOC2=C1C=CC3=C2C=CC=C3 PH010841 [1,0,0,1,0,0|1,0,1]=4
21  B17R3.4465  OC1CCCC2=C1C=CC3=C2C=CC=C3 T153761 [1,0,0,1,0,0|2,0,0]=4
22  B19R3.4444  C1=CC2=CC=CC(=C2N=C1)OCC3CCNC3 PH017318 [0,1,0,1,0,0|2,0,0]=4
23  B15R2.68122  O=C(O)CC1=CC=CC2=C1C=CC=C2 S171565 [1,0,0,0,1,0|1,0,1]=4
24  B15R2.79765  CC[C@H](C)C1=CC=CC2=CC=CC=C12 T245895 [0,0,0,0,2,0|2,0,0]=4