0  B7R0.4  CC(C)CCN=C=S BB58-1671 [0,0,0,0,0,0|1,1,1]=3
1  B7R0.4  CC(C)NCCC#N BB01-6620 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.4  CC(C)NCCCN BB01-5385 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.4  CC(C)SCCCN BB01-5320 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.4  CC(C)CCC=O BB58-4980 [1,0,0,0,0,0|0,0,0]=1
5  B6R0.4  CC(C)NCCN BB57-0247 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.4  CC(C)OCCO BB01-5911 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.4  CNCCN(C)C BB01-5604 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.6  COCCN=C=O BB01-6551 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.6  O=C=NCCCCl BB01-6557 [1,0,0,0,0,0|2,0,1]=4
10  B5R0.1  CC(C)CNN BB58-2806 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  CC(C)N=C=O BB58-3549 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.2  CCCN=C=O BB58-3576 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.2  CNCCOC BB57-3739 [2,0,0,0,0,0|1,0,1]=4
14  B5R0.2  COCCCBr BB58-3145 [2,0,0,0,0,0|1,0,1]=4
15  B7R0.2  CC(C)CC(N)CO BB20-2191 [1,1,0,0,0,0|0,0,2]=4
16  B7R0.2  CC(C)CC(O)C#N BB58-1314 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.3  CC(CO)CCCO BB58-5344 [1,1,0,0,0,0|0,0,2]=4
18  B7R0.6  CC(=O)CCN(C)C BB55-6125 [1,1,0,0,0,0|1,0,0]=3
19  B7R0.6  CC(C)OCC(=O)O BB55-5141 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.1  COCCCN=C=O BB01-4449 [1,1,0,0,0,0|1,0,1]=4
21  B9R0.53  CC(C)CC(N)CC(=O)O BB57-0289 [0,2,0,0,0,0|1,0,0]=3
22  B9R0.1  CC(C)CCNC(=O)CCl BB53-1230 [0,2,0,0,0,0|1,0,0]=3
23  B9R0.1  CN(C)CCNC(=O)CCl BB20-1607 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.7  CC(C)CNC(=O)C(=O)O BB57-0815 [0,2,0,0,0,0|2,0,0]=4
25  B9R0.7  C[S+](C)CC[C@H](N)C(=O)O BB55-8164 [0,2,0,0,0,0|2,0,0]=4
26  B7R1.20  CN(C)CC1CO1 BB58-4517 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.66  CC1(C)CC(=O)CCO1 BB53-1741 [0,1,0,1,0,0|2,0,0]=4
28  B9R1.40  CC1(C)NCCNC1=O BB01-5721 [0,1,0,1,0,0|1,0,0]=3