0  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,0,0,0,0,0|1,0,1]=2
1  B6R0.3  NC(=O)\C(N)=N\O BB12-3387 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.3  NNC(=O)C(N)=O BB12-2523 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.3  CC\C(N)=N\O BB12-3467 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  CNC(C)CO BB12-1570 [1,0,0,0,0,0|1,0,2]=4
6  B5R0.5  CC(Cl)C(N)=O BB12-1307 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [0,1,0,0,0,0|1,0,1]=3
8  B7R0.5  CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|0,0,2]=3
9  B7R0.5  CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|0,0,2]=3
10  B7R0.10  CCN(C)C(=O)CCl BB12-2479 [0,1,0,0,0,0|2,0,1]=4
11  B7R0.10  CNC(=O)C(C)NC BB12-3606 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.13  CCC(C)(N)C(=O)O BB56-0974 [0,1,0,0,0,0|0,0,2]=3
13  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,0|1,0,1]=3
14  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,0|1,0,1]=3
15  B7R1.4  CC1=C(Br)SC=C1 BB56-2325 [0,0,0,1,0,0|1,1,1]=4
16  B7R1.18  NC(=O)C1CCC1 BB12-3033 [0,0,0,1,0,0|1,0,2]=4
17  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,0,0,0,0,1|1,0,1]=3
18  B7R0.2  CCN(C)CC(C)=O BB12-2316 [0,0,0,0,0,1|2,0,1]=4
19  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,0,0,0,0,1|1,0,1]=3
20  B4R0.1  C\C(N)=N\O BB53-1937 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.2  CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|0,0,2]=4
22  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|0,0,2]=4
23  B6R0.4  CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|0,0,2]=4
24  B8R0.5  CN(CCO)CC(=O)O BB12-1628 [0,1,0,0,0,1|1,0,1]=4
25  B8R0.23  CC(CC(=O)O)N(C)C BB12-1308 [0,1,0,0,0,1|1,0,1]=4
26  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [0,2,0,0,0,0|1,0,1]=4
27  B8R0.8  C=CCSC(C)C(=O)O BB12-3266 [0,2,0,0,0,0|0,0,2]=4
28  B8R0.13  CCC(C)(N)C(=O)OC BB56-0964 [0,2,0,0,0,0|0,0,2]=4
29  B8R0.37  CN(C)C(C)(C)C(=O)O BB12-3603 [0,2,0,0,0,0|1,0,1]=4
30  B8R0.18  CC(=O)C(=NO)C(C)=O BB12-1907 [0,2,0,0,0,0|2,0,0]=4
31  B8R0.18  CCC(C(=O)O)N(C)C BB12-3549 [0,2,0,0,0,0|0,0,2]=4
32  B8R1.1  COC1=CC(=O)NC1 BB12-2206 [0,0,0,1,0,1|2,0,0]=4
33  B8R1.4  CC1=CC=NC(O)=N1 BB12-3694 [0,0,0,1,0,1|1,0,1]=4
34  B8R1.18  CC1=C(C)NC(Cl)=N1 BB52-6880 [0,0,0,1,0,1|2,0,0]=4
35  B8R1.18  CC1=C(C)SC(Br)=N1 BB12-3700 [0,0,0,1,0,1|1,1,0]=4
36  B8R1.5  CC1=NC=CC=C1O BB17-0195 [0,1,0,1,0,0|1,0,1]=4
37  B8R1.7  O=C(O)C1=CN=NN1 BB90-0079 [0,1,0,1,0,0|2,0,0]=4
38  B8R1.7  O=C(O)C1=CNN=C1 BB01-4399 [0,1,0,1,0,0|1,0,1]=4
39  B8R1.7  O=C(O)C1=NOC=C1 BB20-4533 [0,1,0,1,0,0|1,0,1]=4
40  B8R1.11  CC1=C(CO)C=CO1 BB90-0116 [0,1,0,1,0,0|1,0,1]=4
41  B8R1.38  COC(=O)C1CCC1 BB12-2967 [0,1,0,1,0,0|0,0,2]=4
42  B8R1.50  CC1=NNC(O)=C1C BB12-3524 [0,1,0,1,0,0|1,0,0]=3
43  B8R1.50  CC1=NOC(C)=C1Cl BB55-4174 [0,1,0,1,0,0|2,0,0]=4
44  B8R1.50  CN1C(=O)CNC1=O BB26-0158 [0,1,0,1,0,0|2,0,0]=4
45  B8R0.9  CCN(C)CCC(=O)O BB12-3650 [0,0,0,0,0,2|1,0,1]=4