0  B15R3.3  C1=CC2=C(C=C1)C3=C(CCNC3)N2 P6821 [0,0,0,0,0,0|0,0,0]=0
1  B15R3.3  C1=CC=C2C(=C1)NC3=C2CCCC3 T1321 [0,0,0,0,0,0|1,0,0]=1
2  B15R3.3  C1=CC=C2C(=C1)NC3=C2CCNC3 T4360 [0,0,0,0,0,0|2,0,0]=2
3  B16R3.27838  O=C1CCCC2=C1C3=C(C=CC=C3)N2 T2498 [0,1,0,0,0,0|1,0,1]=3
4  B14R2.3  OCCCC1=CNC2=CC=CC=C12 H14833 [0,0,1,0,0,0|2,0,0]=3
5  B14R2.6  C1=CC=C(CN2CCNCC2)C=C1 B16976 [0,0,1,0,0,0|2,0,1]=4
6  B14R2.6  C1=CC=C(CN2CCNCC2)C=C1 B9579 [0,0,1,0,0,0|2,0,1]=4
7  B14R2.6  C1=CC=C(NC2CCCCC2)C=C1 C17011 [0,0,1,0,0,0|1,0,2]=4
8  B14R2.67  CCCCC1=CC2=C(C=CC=C2)O1 B7999 [0,0,1,0,0,0|2,0,0]=3
9  B14R2.67  OCCCC1=NC2=C(C=CC=C2)N1 H8069 [0,0,1,0,0,0|3,0,0]=4
10  B13R2.1  N#CCC1=CNC2=CC=CC=C12 I0455 [1,0,1,0,0,0|1,0,1]=4
11  B13R2.1  NCCC1=CNC2=CC=CC=C12 T1398 [1,0,1,0,0,0|1,0,0]=3
12  B13R2.3  C1=CC=C(C2=CCNCC2)C=C1 P17987 [1,0,1,0,0,0|2,0,0]=4
13  B13R2.3  C1=CC=C(C2CNCCN2)C=C1 P13503 [1,0,1,0,0,0|1,0,1]=4
14  B13R2.26  CNCC1=NC2=CC=CC=C2S1 B12437 [1,0,1,0,0,0|1,0,1]=4
15  B13R2.45  CC1=C(C=O)NC2=CC=CC=C21 M14941 [1,0,1,0,0,0|1,0,1]=4
16  B13R2.135  CC1=C(C=O)C2=CC=CC=C2N1 M0458 [1,0,1,0,0,0|1,0,1]=4
17  B15R2.73  CCOC(=O)C1=CNC2=C1C=CC=C2 I8572 [0,1,1,0,0,0|1,0,1]=4
18  B15R2.38  O=C1CCCC\C1=C/C2=CC=CC=C2 B8454 [0,1,1,0,0,0|2,0,0]=4
19  B15R2.38  O=C1CNCCN1CC2=CC=CC=C2 B13430 [0,1,1,0,0,0|2,0,0]=4
20  B15R2.993  CC1=C(CC(=O)O)C2=C(C=CC=C2)N1 M17978 [0,1,1,0,0,0|2,0,0]=4
21  B15R2.993  CC1=C(CN(C)C)C2=CC=CC=C2N1 M17980 [0,1,1,0,0,0|0,0,0]=2
22  B15R2.11815  CC1=CC=CC2=C1NC(C)=C2CCN D8536 [0,1,1,0,0,0|2,0,0]=4
23  B15R2.19393  COC(=O)C1=C(C)NC2=CC=CC=C21 M14942 [0,1,1,0,0,0|1,0,1]=4
24  B17R3.35227  ClC1=C2CCCCC2=NC3=C1C=CC=C3 C9815 [0,1,0,0,0,1|1,0,1]=4
25  B17R3.35227  NC1=C2C=CC=CC2=NC3=C1CCCC3 A18263 [0,1,0,0,0,1|1,0,1]=4
26  B17R3.35227  NC1=C2CCCCC2=NC3=CC=CC=C31 T10486 [0,1,0,0,0,1|1,0,1]=4
27  B17R3.4408  CN1C2=C(C=CC=C2)C3=C1CCCC3=O M8992 [0,2,0,0,0,0|1,0,1]=4
28  B17R3.4408  CN1C2=C(C=CC=C2)C3=C1CCNC3=O P9041 [0,2,0,0,0,0|0,0,1]=3
29  B13R2.64  C1=CC=C(NC2CCCC2)C=C1 C17012 [0,0,1,0,1,0|0,0,2]=4
30  B15R2.2115  CCC1=C(CC)C2=CC=CC=C2C=N1 D15143 [0,0,1,0,0,1|1,0,1]=4