0  B10R1.59  CC(=O)C1=C(C)SC(C)=N1 4089989 [0,0,0,0,0,0|1,1,0]=2
1  B10R1.59  CC(=O)C1=CN(C)N=C1C 4002405 [0,0,0,0,0,0|2,0,0]=2
2  B10R1.59  CC(=O)C1=NC(Br)=NN1C 4110690 [0,0,0,0,0,0|4,0,0]=4
3  B10R1.59  CC(=O)C1=NN(C)C=C1Cl 4030700 [0,0,0,0,0,0|4,0,0]=4
4  B10R1.59  CC1=NC(C(=O)O)=C(C)S1 4029525 [0,0,0,0,0,0|2,1,0]=3
5  B10R1.59  CC1=NC(C(N)=O)=C(N)N1 4027212 [0,0,0,0,0,0|4,0,0]=4
6  B10R1.59  CC1=NN(C)C(C(=O)[O-])=N1 4085781 [0,0,0,0,0,0|4,0,0]=4
7  B10R1.59  CC1=NN(C)C=C1C(C)N 4002406 [0,0,0,0,0,0|3,0,1]=4
8  B9R1.35  CC1=CC(C(=O)O)=CS1 3002756 [1,0,0,0,0,0|1,1,0]=3
9  B9R1.35  CC1=CC=C(C(=O)O)S1 3001579 [1,0,0,0,0,0|3,0,0]=4
10  B9R1.35  CC1=NC(C(=O)O)=CN1 4088219 [1,0,0,0,0,0|3,0,0]=4
11  B9R1.41  CC(=O)C1=CN=NN1C 4110788 [1,0,0,0,0,0|3,0,0]=4
12  B9R1.41  CC1=C(C(=O)O)N=CS1 4043076 [1,0,0,0,0,0|2,1,0]=4
13  B9R1.41  CC1=C(C(=O)O)OC=N1 4401487 [1,0,0,0,0,0|3,0,0]=4
14  B9R1.41  CC1=C(C(=O)O)SC=C1 3020058 [1,0,0,0,0,0|3,0,0]=4
15  B9R1.41  CN1C=CC=C1C(=O)O 3020106 [1,0,0,0,0,0|3,0,0]=4
16  B9R1.41  NC(=O)C1=C(N)SC=C1 3014696 [1,0,0,0,0,0|2,1,0]=4
17  B11R1.49  COC1=C(C(=O)O)SC(C)=C1 4041180 [0,1,0,0,0,0|3,0,0]=4
18  B11R1.225  CC1=CC(C(=O)NN)=C(C)O1 3002655 [0,1,0,0,0,0|1,0,0]=2
19  B11R1.225  COC(=O)C1=C(C)N=C(N)S1 4142897 [0,1,0,0,0,0|3,0,0]=4
20  B11R1.673  CC1=NN(C)C(C(=O)O)=C1C 4042991 [0,1,0,0,0,0|3,0,0]=4
21  B11R1.673  CC1=NN(C)C(C)=C1C(=O)O 3002132 [0,1,0,0,0,0|3,0,0]=4
22  B11R1.166  CC(=O)C1=CNC(=O)N=C1C 4090304 [0,0,0,0,0,1|2,0,0]=3
23  B11R1.166  CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,0,0,0,0,1|2,0,0]=3
24  B8R1.1  CC1=CNC(C=O)=C1 4036719 [2,0,0,0,0,0|2,0,0]=4
25  B8R1.1  CC1=NC(C=O)=CO1 4038328 [2,0,0,0,0,0|1,0,0]=3
26  B8R1.1  CC1=NC=C(C=O)S1 4301186 [2,0,0,0,0,0|2,0,0]=4
27  B8R1.1  CN1C=C(C=O)C=N1 4301129 [2,0,0,0,0,0|2,0,0]=4
28  B8R1.18  CC1=C(C)OC(N)=N1 4090608 [2,0,0,0,0,0|2,0,0]=4
29  B10R1.14  CC1=CC(C(=O)NN)=CS1 3007489 [1,1,0,0,0,0|1,1,0]=4
30  B10R1.14  CC1=CC(C(=O)NN)=NO1 3007474 [1,1,0,0,0,0|2,0,0]=4
31  B10R1.31  CCC1=CC(C(=O)O)=CS1 3007503 [1,1,0,0,0,0|1,1,0]=4
32  B10R1.31  CCC1=NC(C(=O)O)=CO1 3002816 [1,1,0,0,0,0|2,0,0]=4
33  B10R1.194  CC1=C(C)C(C(=O)O)=CS1 3002457 [1,1,0,0,0,0|1,1,0]=4
34  B10R1.39  CCN1N=CC=C1C(C)=O 4030142 [1,1,0,0,0,0|2,0,0]=4
35  B10R1.39  O=C(O)C1=C(CBr)OC=C1 4104018 [1,1,0,0,0,0|1,0,0]=3
36  B10R1.149  COC(=O)C1=C(C)NC=N1 4044514 [1,1,0,0,0,0|2,0,0]=4
37  B10R1.149  COC(=O)C1=C(N)SC=C1 3001619 [1,1,0,0,0,0|1,1,0]=4
38  B12R1.1000  CC1=CC(=O)C(C(=O)O)=C(C)N1 4088153 [0,1,0,0,0,1|2,0,0]=4
39  B12R1.111  CC1=C(C(=O)O)C=C(C(C)C)O1 9071314 [0,2,0,0,0,0|1,0,0]=3
40  B12R1.800  CC(=O)C1=C(C)OC(N)=C1C#N 3002241 [0,2,0,0,0,0|1,0,0]=3
41  B10R1.13  CC(=O)C1=NC=C(C)C=C1 4088632 [1,0,0,0,0,1|1,0,0]=3
42  B12R1.101  CC1=CC(CC(=O)O)=CC(C)=N1 4054900 [0,0,0,0,0,2|2,0,0]=4