0  B11R1.166  CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.13  CC(=O)C1=NC=C(C)C=C1 4088632 [1,0,0,0,0,0|3,0,0]=4
2  B10R1.13  N=C(N)C1=CC=C(Br)C=C1 4090345 [1,0,0,0,0,0|3,0,0]=4
3  B10R1.13  N=C(N)C1=CC=C(F)C=C1 4089401 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.25  NCC1=C(O)C=C(O)C=C1 4089662 [1,0,0,0,0,0|1,0,1]=3
5  B10R1.61  CC(=O)C1=CC=CN=C1Cl 4031453 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.61  CC(N)C1=C(O)C=CC=C1 4088363 [1,0,0,0,0,0|2,0,1]=4
7  B12R1.1000  CC1=CC(=O)C(C(=O)O)=C(C)N1 4088153 [0,1,0,0,0,0|2,0,1]=4
8  B12R1.1000  CC1=CC(Cl)=NC(C)=C1C(=O)O 4044225 [0,1,0,0,0,0|3,0,0]=4
9  B12R1.1703  CCC(=O)C1=C(N)C=C(Br)C=C1 5216238 [0,1,0,0,0,0|3,0,0]=4
10  B12R1.1703  NNC(=O)C1=CC=C(Cl)C=C1O 3015284 [0,1,0,0,0,0|2,0,0]=3
11  B10R1.194  CC1=C(C)C(C(=O)O)=CS1 3002457 [0,0,0,0,1,0|3,0,0]=4
12  B10R1.194  CC1=CC=C(C(=O)O)N1C 4028920 [0,0,0,0,1,0|3,0,0]=4
13  B11R1.3  NCC1=CC=C(C(N)=O)C=C1 4030428 [1,1,0,0,0,0|2,0,0]=4
14  B11R1.3  O=C(O)C1=NC=C(CO)N=C1 4077916 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.21  CC1=C(C)N=CC(C(=O)O)=C1 4091150 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.53  NCC1=CC=CC=C1C(=O)O 4090789 [1,1,0,0,0,0|1,0,0]=3
17  B11R1.167  NC(=O)C1=C(Br)C=CC(N)=C1 4089536 [1,1,0,0,0,0|2,0,0]=4
18  B11R1.49  COC1=C(C(=O)O)SC(C)=C1 4041180 [0,1,0,0,1,0|2,0,0]=4
19  B13R1.1808  CC1=C(O)C(C(=O)NN)=CC=C1O 3002066 [0,2,0,0,0,0|1,0,0]=3
20  B11R2.1  NC1=NOC2=CC=CC=C21 3020311 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.35  CC1=CC(C(=O)O)=CS1 3002756 [1,0,0,0,1,0|2,0,0]=4
22  B9R1.35  CC1=CC=C(C(=O)O)S1 3001579 [1,0,0,0,1,0|2,0,0]=4
23  B9R1.35  O=C(O)C1=CC(Br)=CS1 3013954 [1,0,0,0,1,0|2,0,0]=4
24  B9R1.41  CC1=C(C(=O)O)SC=C1 3020058 [1,0,0,0,1,0|2,0,0]=4
25  B9R1.41  CN1C=CC=C1C(=O)O 3020106 [1,0,0,0,1,0|2,0,0]=4
26  B13R1.164  O=C(O)COC1=CC=C(Br)C=C1Cl 3013794 [0,0,0,0,0,2|2,0,0]=4
27  B13R1.164  O=C(O)COC1=CC=C(F)C=C1Cl 3013821 [0,0,0,0,0,2|2,0,0]=4