0  B14R2.8239  CN1CC2=C(C=CC(Br)=C2)NC1=O 7118966 [0,0,0,0,0,0|2,1,1]=4
1  B14R2.8239  OC1=C(O)N=C2C=C(Br)C=CC2=N1 5131629 [0,0,0,0,0,0|1,1,2]=4
2  B13R2.155  OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [1,0,0,0,0,0|2,0,0]=3
3  B13R2.369  OC1=NC2=CC=CC=C2C=C1Br 4032198 [1,0,0,0,0,0|1,0,2]=4
4  B13R2.3683  NC1=CC=C2NC(=O)COC2=C1 4029774 [1,0,0,0,0,0|2,0,1]=4
5  B13R2.3683  O=C1CCC2=CC(F)=CC=C2N1 4043551 [1,0,0,0,0,0|0,1,2]=4
6  B15R2.1754  CC1=CC=C2C=C(C=O)C(O)=NC2=C1 6951607 [0,1,0,0,0,0|3,0,0]=4
7  B15R2.62227  CC1=NC2=CC(C)=C(C)C=C2NC1=O 4043049 [0,1,0,0,0,0|3,0,0]=4
8  B13R1.133  CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,0,1,0,0,0|2,0,0]=3
9  B13R1.133  O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,0,1,0,0,0|1,1,0]=3
10  B13R1.148  O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,0,1,0,0,0|2,0,1]=4
11  B13R1.2679  O=C(CCl)NC1=CC=C(Cl)C=C1F 7231633 [0,0,1,0,0,0|2,0,1]=4
12  B13R1.2872  C\C(C=O)=C/C1=CC(Cl)=CC=C1O 4012334 [0,0,1,0,0,0|2,0,0]=3
13  B13R2.3028  CC1=CC=C2NC(=O)C(N)C2=C1 4011503 [0,0,0,0,1,0|2,0,1]=4
14  B13R2.3028  NC1C(=O)NC2=C1C=C(Br)C=C2 4028382 [0,0,0,0,1,0|1,1,1]=4
15  B13R2.3028  NC1C(=O)NC2=CC=C(Cl)C=C21 4011276 [0,0,0,0,1,0|1,0,1]=3
16  B13R2.3028  NC1C(=O)NC2=CC=C(F)C=C21 4011506 [0,0,0,0,1,0|1,1,1]=4
17  B12R1.21  O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [1,0,1,0,0,0|1,0,1]=4
18  B12R1.43  O=C(O)C(=O)NC1=CC=CC=C1 4027804 [1,0,1,0,0,0|1,0,0]=3
19  B12R1.226  NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [1,0,1,0,0,0|2,0,0]=4
20  B12R1.233  CC(=O)NC1=C(Br)C=C(Cl)C=C1 4029939 [1,0,1,0,0,0|1,0,1]=4
21  B12R1.233  CC(=O)NC1=C(N)C=C(Cl)C=C1 4025073 [1,0,1,0,0,0|1,0,1]=4
22  B14R1.6049  CC1=CC=C(NC(=O)C(=O)O)C(C)=C1 4026999 [0,1,1,0,0,0|2,0,0]=4
23  B14R1.6049  O=C(O)C(=O)NC1=CC=C(F)C=C1F 4029935 [0,1,1,0,0,0|1,1,0]=4
24  B14R1.6823  COCC(=O)NC1=CC=C(Cl)C=C1N 4028035 [0,1,1,0,0,0|1,0,1]=4
25  B14R2.1128  O=CC1=CC2=CC=CC=C2NC1=O 4003194 [1,1,0,0,0,0|0,0,1]=3
26  B14R2.1128  OCC1=CC2=CC=CC=C2N=C1Cl 4030706 [1,1,0,0,0,0|1,0,1]=4
27  B14R2.8188  CN1C(=O)C(=O)NC2=CC=CC=C21 4033761 [1,1,0,0,0,0|1,0,1]=4
28  B14R2.8188  CN1C(=O)C(Br)=CC2=C1C=CC=C2 4031359 [1,1,0,0,0,0|1,0,0]=3
29  B14R2.2332  O=CC1=NC2=CC=C(Cl)C=C2C=C1 4003791 [1,1,0,0,0,0|0,0,1]=3
30  B14R2.2332  O=CC1=NC2=CC=C(F)C=C2C=C1 4003789 [1,1,0,0,0,0|0,1,1]=4
31  B14R2.8235  CC1=CC(=O)NC2=C1C=C(Br)C=C2 6183322 [1,1,0,0,0,0|0,1,0]=3
32  B14R2.8235  CC1=CC(Cl)=NC2=CC=C(Cl)C=C12 4040513 [1,1,0,0,0,0|1,0,1]=4
33  B14R2.8235  CC1=NC2=CC=C(Cl)C=C2C(N)=C1 4029729 [1,1,0,0,0,0|1,0,1]=4
34  B14R2.1060  CC1=C(C=O)NC2=CC=C(Cl)C=C21 4009669 [0,1,0,0,1,0|1,0,0]=3
35  B14R2.1060  CC1=C(C=O)NC2=CC=C(F)C=C21 4009671 [0,1,0,0,1,0|1,1,0]=4
36  B14R2.1060  CC1=C(CO)NC2=CC=C(Cl)C=C21 9071172 [0,1,0,0,1,0|1,0,1]=4
37  B14R2.1060  CC1=CC=C2NC(C=O)=C(C)C2=C1 4009668 [0,1,0,0,1,0|2,0,0]=4
38  B14R2.8716  CC1=CC=C2C(=C1)C(=O)C(=O)N2C 4023501 [0,1,0,0,1,0|1,0,1]=4
39  B14R2.8716  CN1C(=O)C(=O)C2=CC(Br)=CC=C21 4028673 [0,1,0,0,1,0|0,1,1]=4
40  B14R2.9184  N1C(=O)C(=O)C2=C1C(Br)=CC(C)=C2 4010945 [0,1,0,0,1,0|1,0,1]=4
41  B14R2.9184  O=C1NC2=C(Br)C=C(F)C=C2C1=O 4027099 [0,1,0,0,1,0|0,1,1]=4
42  B14R2.9184  O=C1NC2=C(C=C(Br)C=C2Cl)C1=O 4030704 [0,1,0,0,1,0|0,1,1]=4
43  B14R2.8737  O=C1NC2=C(Cl)C(Cl)=CC=C2C1=O 4043669 [0,1,0,0,1,0|1,0,1]=4
44  B16R2.192589  CC1=CC(C)=C2NC(=O)C(C=O)=CC2=C1 4028184 [0,2,0,0,0,0|1,0,1]=4
45  B14R2.7969  CC1=CC=CC2=C1OC(C(=O)O)=C2 4041510 [0,0,1,1,0,0|2,0,0]=4
46  B14R2.7969  O=C(O)C1=CC2=CC=CC(Cl)=C2N1 4023476 [0,0,1,1,0,0|2,0,0]=4
47  B12R2.132  NC1=CC2=C(C=C1)NN=C2O 4048302 [1,0,0,0,1,0|2,0,0]=4
48  B12R2.18  NC1C(=O)NC2=C1C=CC=C2 4011261 [1,0,0,0,1,0|1,0,1]=4