0  B12R1.4  CN(C)CC1=CC=C(CN)C=C1 B059691 [0,0,0,0,0,0|4,0,0]=4
1  B13R1.142  CNCC1=CC=C(CN(C)C)C=C1 B059694 [0,1,0,0,0,0|3,0,0]=4
2  B13R2.2121  COC1=CC=C2NC(S)=NC2=C1 B039544 [0,0,0,1,0,0|2,1,0]=4
3  B13R2.2121  COC1=CC=C2OC(S)=NC2=C1 B039588 [0,0,0,1,0,0|2,1,0]=4
4  B11R1.3  CCC1=CC=C(C(C)N)C=C1 B006829 [0,0,0,0,1,0|2,0,1]=4
5  B11R1.3  COC1=CC=C(C(C)N)C=C1 B006177 [0,0,0,0,1,0|1,0,1]=3
6  B11R1.3  COC1=CC=C(C(C)N)C=C1 B047210 [0,0,0,0,1,0|1,0,1]=3
7  B11R1.3  COC1=NC=C(C(=O)O)C=C1 B049007 [0,0,0,0,1,0|2,0,0]=3
8  B11R1.3  NCC1=CC=C(C(N)=O)C=C1 B039656 [0,0,0,0,1,0|3,0,0]=4
9  B13R1.3  N#CC1=CC=C(OCC(=O)O)C=C1 B004261 [0,0,0,0,0,1|3,0,0]=4
10  B13R1.3  NC(=O)COC1=CC=C(C=O)C=C1 B000277 [0,0,0,0,0,1|3,0,0]=4
11  B13R1.3  O=CC1=CC=C(OCC(=O)O)C=C1 B004256 [0,0,0,0,0,1|3,0,0]=4
12  B10R1.1  CC1=CC=C(CON)C=C1 B018552 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.1  CNCC1=CC=C(O)C=C1 B039566 [2,0,0,0,0,0|1,0,0]=3
14  B10R1.18  NC(=S)CC1=CC=CC=C1 B039022 [2,0,0,0,0,0|1,1,0]=4
15  B10R1.3  COC1=CC=C(NN)C=C1 B048983 [2,0,0,0,0,0|2,0,0]=4
16  B12R1.49  NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [1,1,0,0,0,0|2,0,0]=4
17  B12R1.5  CCC(N)C1=CC=C(OC)C=C1 B028560 [1,1,0,0,0,0|0,0,1]=3
18  B12R1.5  CCC(N)C1=CC=C(OC)C=C1 B039170 [1,1,0,0,0,0|0,0,1]=3
19  B12R1.71  COC1=CC=C(CCCN)C=C1 B049843 [1,1,0,0,0,0|0,0,1]=3
20  B12R1.113  CCCC1=CC=C(C(C)N)C=C1 B006607 [1,1,0,0,0,0|1,0,1]=4
21  B14R1.5  COC1=CC=C(NCC(=O)NN)C=C1 B003326 [0,1,0,0,0,1|1,0,0]=3
22  B14R1.3653  COC1=C(Br)C=C(\C=C\C(=O)O)C=C1 B004287 [0,1,0,0,0,1|1,0,1]=4
23  B14R1.954  COC1=CC=C(NC(=O)CC#N)C=C1 B028871 [0,2,0,0,0,0|1,0,0]=3
24  B14R1.2879  COC(=O)CC1=CC=C(C(N)=O)C=C1 B051613 [0,2,0,0,0,0|2,0,0]=4
25  B12R2.606  O=C1OC2=C(C=C(O)C=C2)S1 B049000 [1,0,0,1,0,0|2,0,0]=4
26  B12R2.44  COC1=CC2=C(C=C1)NC=C2 B038514 [1,0,0,1,0,0|1,0,1]=4
27  B14R2.3304  COC1=CC=C2OC(CN)=NC2=C1 B039464 [0,1,0,1,0,0|2,0,0]=4
28  B14R2.3304  COC1=CC=C2OC(SC)=NC2=C1 B039592 [0,1,0,1,0,0|2,0,0]=4
29  B10R1.13  O=C(O)C1=CC=C(O)N=C1 B049653 [1,0,0,0,1,0|2,0,0]=4
30  B10R1.54  CC(=O)CN1C=C(C)C=N1 B037599 [1,0,0,0,1,0|2,0,0]=4
31  B10R1.54  CC(=O)CN1C=CC(C)=N1 B020842 [1,0,0,0,1,0|2,0,0]=4
32  B10R1.31  CCC1=CC=C(C(C)=O)S1 B020337 [0,0,0,0,2,0|2,0,0]=4
33  B12R1.21  CC1=CC=C(CNC(C)C)C=C1 B059712 [1,0,0,0,0,1|1,0,1]=4
34  B12R1.21  CC1=CC=C(NCC(=O)O)C=C1 B003322 [1,0,0,0,0,1|1,0,0]=3
35  B12R1.21  NC1=CC=C(CCC(=O)O)C=C1 B039360 [1,0,0,0,0,1|2,0,0]=4
36  B12R1.21  O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [1,0,0,0,0,1|2,0,0]=4