0  B9R1.35  O=[N+]([O-])C1=CC=C(Br)O1 1575 [0,0,0,0,0,0|3,1,0]=4
1  B8R1.1  CC1=CSC(C=O)=N1 1613 [1,0,0,0,0,0|2,0,0]=3
2  B8R1.1  CN1C=C(C=O)C=N1 1271 [1,0,0,0,0,0|3,0,0]=4
3  B8R1.7  NC(=O)C1=NC=CS1 1616 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.7  O=C(O)C1=CN=CN1 1277 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.7  O=C(O)C1=CN=CS1 1276 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.7  O=C(O)C1=NNC=C1 1960 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.31  CCC1=CC=C(C(=O)O)O1 1539 [0,1,0,0,0,0|1,1,0]=3
8  B10R1.31  CCC1=CC=C(C(C)=O)S1 1618 [0,1,0,0,0,0|0,0,0]=1
9  B10R1.31  NCC1=CC=C(C(=O)O)O1 1532 [0,1,0,0,0,0|1,1,0]=3
10  B10R1.31  O=C(O)C1=CC=C(CO)O1 1550 [0,1,0,0,0,0|1,1,0]=3
11  B10R1.31  O=[N+]([O-])C1=CC=C(CO)O1 1548 [0,1,0,0,0,0|2,1,0]=4
12  B10R1.58  CC1=C(C)OC(C(=O)O)=C1 1534 [0,1,0,0,0,0|1,1,0]=3
13  B10R1.59  CC(=O)C1=C(C)C=C(C)O1 1481 [0,1,0,0,0,0|0,1,0]=2
14  B10R1.194  CC1=C(C)C(C(=O)O)=CS1 2261 [0,1,0,0,0,0|3,0,0]=4
15  B10R1.54  CC(=O)CC1=COC(C)=C1 1673 [0,0,0,0,0,1|2,0,0]=3
16  B7R1.2  CC1=CSC(C)=C1 1622 [2,0,0,0,0,0|2,0,0]=4
17  B11R1.39  CC1=CC=C(\C=C(/C)CO)O1 1544 [0,1,0,0,0,1|0,1,1]=4
18  B11R1.44  C(=O)C1=CC=C(C(=O)OC)O1 1545 [0,2,0,0,0,0|0,1,1]=4
19  B11R1.44  COC(=O)C1=CC=C(CBr)O1 1525 [0,2,0,0,0,0|0,1,0]=3
20  B9R1.69  CC1=CC=C(Cl)C(C)=N1 1485 [0,0,1,1,0,0|2,0,0]=4
21  B9R1.69  CC1=CC=C(N)C(C)=N1 2476 [0,0,1,1,0,0|2,0,0]=4
22  B9R1.69  CC1=CC=C(O)C(C)=N1 2477 [0,0,1,1,0,0|1,1,0]=4
23  B11R1.75  CC(=O)CCC1=CC=C(C)O1 1547 [0,0,0,0,0,2|0,1,0]=3
24  B11R1.75  CC(=O)\C=C\C1=CC=C(C)O1 1546 [0,0,0,0,0,2|0,1,0]=3