0  B14R2.8239  OC1=C(O)N=C2C=C(Br)C=CC2=N1 5131629 [0,0,0,0,0,0|2,0,2]=4
1  B13R2.155  CC1=NC2=C(C=C1)C=CC(N)=N2 4017230 [1,0,0,0,0,0|2,0,1]=4
2  B13R2.155  NC1=CC=C2C=CC(=O)NC2=C1 4038499 [1,0,0,0,0,0|1,0,0]=2
3  B13R2.155  NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [1,0,0,0,0,0|2,0,0]=3
4  B13R2.155  O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [1,0,0,0,0,0|1,0,0]=2
5  B13R2.155  OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [1,0,0,0,0,0|2,0,1]=4
6  B13R2.369  OC1=NC2=CC=CC=C2C=C1Br 4032198 [1,0,0,0,0,0|1,0,2]=4
7  B15R2.1754  C(=O)C1=CC2=CC=C(C)C=C2N=C1Cl 5808379 [0,1,0,0,0,0|1,0,2]=4
8  B15R2.1754  CC1=CC=C2C=C(C=O)C(O)=NC2=C1 6951607 [0,1,0,0,0,0|0,0,3]=4
9  B15R2.1754  CC1=CC=C2C=C(CO)C(Cl)=NC2=C1 4029497 [0,1,0,0,0,0|1,0,1]=3
10  B15R2.1754  NCC1=CC2=CC=C(F)C=C2NC1=O 4011514 [0,1,0,0,0,0|2,0,0]=3
11  B15R2.1824  CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 4009767 [0,1,0,0,0,0|3,0,0]=4
12  B15R2.1824  CC1=CC=C2N=C(O)C(C=O)=CC2=C1 6954225 [0,1,0,0,0,0|2,0,0]=3
13  B15R2.62227  CC1=C(N)C=C2N=C(O)C(O)=NC2=C1 4029470 [0,1,0,0,0,0|1,0,2]=4
14  B15R2.62227  CC1=NC2=CC(C)=C(C)C=C2NC1=O 4043049 [0,1,0,0,0,0|2,0,0]=3
15  B13R1.133  CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,0,1,0,0,0|2,0,1]=4
16  B13R1.148  CC1=CC=CC(NC(=O)C(C)Br)=C1 4024596 [0,0,1,0,0,0|1,0,2]=4
17  B13R1.148  O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,0,1,0,0,0|2,0,0]=3
18  B13R1.148  O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,0,1,0,0,0|2,0,0]=3
19  B13R1.2872  CC1=CC(NC(=O)CBr)=C(C)C=C1 4023669 [0,0,1,0,0,0|1,0,2]=4
20  B13R1.2872  CC1=CC(NC(=O)CCl)=C(F)C=C1 9070582 [0,0,1,0,0,0|2,0,1]=4
21  B13R1.2872  CC1=CC=C(C)C(NC(=O)CCl)=C1 3015632 [0,0,1,0,0,0|1,0,2]=4
22  B13R2.5190  NC1C(=O)NC2=CC(Cl)=CC=C21 4105551 [0,0,0,0,1,0|2,0,1]=4
23  B13R2.5190  NC1C(=O)NC2=CC(F)=CC=C21 4011507 [0,0,0,0,1,0|2,0,1]=4
24  B12R1.21  CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [1,0,1,0,0,0|1,0,0]=3
25  B12R1.21  O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [1,0,1,0,0,0|2,0,0]=4
26  B12R1.43  O=C(O)C(=O)NC1=CC=CC=C1 4027804 [1,0,1,0,0,0|1,0,0]=3
27  B12R1.50  CC1=CC(NC(=O)CBr)=CC=C1 4023662 [1,0,1,0,0,0|1,0,1]=4
28  B12R1.50  CC1=CC(NC(=O)CCl)=CC=C1 3015628 [1,0,1,0,0,0|1,0,1]=4
29  B12R1.233  CC(=O)NC1=CC=C(C)C=C1N 4028039 [1,0,1,0,0,0|2,0,0]=4
30  B12R2.24  NC1=CC=C2C=CC=NC2=C1 4018528 [2,0,0,0,0,0|1,0,1]=4
31  B14R1.153  CC1=C(C)C(NC(=O)C(=O)O)=CC=C1 4028016 [0,1,1,0,0,0|1,0,0]=3
32  B14R1.4257  CC1=CC(C)=CC(NC(=O)C(=O)O)=C1 4032030 [0,1,1,0,0,0|1,0,0]=3
33  B14R1.4257  O=C(O)C(=O)NC1=CC(F)=CC(F)=C1 4030483 [0,1,1,0,0,0|2,0,0]=4
34  B14R1.4474  CC1=CC=C(C)C(NC(=O)C(=O)O)=C1 4027228 [0,1,1,0,0,0|1,0,0]=3
35  B14R2.29365  CC1=CC(=O)NC2=CC(N)=CC=C12 4040999 [1,1,0,0,0,0|1,0,0]=3
36  B14R2.1128  O=CC1=CC2=CC=CC=C2NC1=O 4003194 [1,1,0,0,0,0|0,0,1]=3
37  B14R2.1128  OCC1=CC2=CC=CC=C2N=C1Cl 4030706 [1,1,0,0,0,0|1,0,1]=4
38  B14R2.8188  CN1C(=O)C(=O)NC2=CC=CC=C21 4033761 [1,1,0,0,0,0|1,0,1]=4
39  B14R2.8188  CN1C(=O)C(Br)=CC2=C1C=CC=C2 4031359 [1,1,0,0,0,0|1,0,0]=3
40  B14R2.8716  CC1=CC=C2C(=C1)C(=O)C(=O)N2C 4023501 [0,1,0,0,1,0|1,0,1]=4
41  B14R2.9184  N1C(=O)C(=O)C2=C1C(Br)=CC(C)=C2 4010945 [0,1,0,0,1,0|1,0,1]=4
42  B14R2.19008  CC1=CC=C2NC(C)=C(C=O)C2=C1 4002638 [0,1,0,0,1,0|2,0,0]=4
43  B14R2.1815  COC1=CC=C2C(=C1)NC(=O)C2N 4011509 [0,1,0,0,1,0|1,0,1]=4
44  B14R2.4217  CC1=CC=C2C(=C1)NC(C)=C2C=O 4031258 [0,1,0,0,1,0|1,0,1]=4
45  B14R2.8737  O=C1NC2=C(Cl)C(Cl)=CC=C2C1=O 4043669 [0,1,0,0,1,0|1,0,1]=4
46  B16R2.104317  CC1=CC(O)=C2C(=C1)OC(=O)C(C)=C2C 7109536 [0,2,0,0,0,0|2,0,0]=4
47  B14R2.8620  N1C(=O)C(=O)C2=C1C(C)=CC=C2C 5226018 [0,0,1,1,0,0|0,0,2]=4
48  B12R2.132  CC1=CC=C2CNC(=O)C2=C1 4045631 [1,0,0,0,1,0|1,0,1]=4
49  B12R2.606  CC1=CC=C2OC(=O)NC2=C1 4035617 [1,0,0,0,1,0|1,0,0]=3
50  B12R2.606  NC1=CC2=C(C=C1)CC(=O)N2 4021865 [1,0,0,0,1,0|1,0,1]=4
51  B12R2.18  NC1C(=O)NC2=C1C=CC=C2 4011261 [1,0,0,0,1,0|1,0,1]=4
52  B12R2.612  CC1=CC2=C(C=C1)C(I)=NN2 4046881 [1,0,0,0,1,0|2,0,0]=4
53  B14R1.5978  CC1=CC=CC(NC(=O)CC(=O)O)=C1 4024703 [0,0,1,0,0,1|1,0,0]=3