0  B5R0.1  CC(C)CNN BB58-2806 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.1  CC(C)N=C=O BB58-3549 [0,0,0,0,0,0|1,0,1]=2
2  B5R0.1  CC(C)N=C=S BB01-6321 [0,0,0,0,0,0|1,1,1]=3
3  B4R0.1  CC(O)C#N BB58-1312 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.2  CCN=C=O BB01-7862 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.1  CCC(C)N=C=O BB01-6539 [0,1,0,0,0,0|1,0,1]=3
6  B6R0.2  CC(C)=CC(=O)Cl BB20-1413 [0,1,0,0,0,0|1,0,1]=3
7  B6R0.2  CC(C)CB(O)O BB01-8323 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.2  CC(C)CC(C)N BB01-6378 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.2  CC(C)NC(N)=S BB20-1187 [0,1,0,0,0,0|1,1,0]=3
10  B6R0.2  CN(C)CC(N)=S BB58-0525 [0,1,0,0,0,0|2,1,0]=4
11  B6R0.4  CC(C)CCC=O BB58-4980 [0,1,0,0,0,0|1,0,0]=2
12  B6R0.4  CC(C)NCCN BB57-0247 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.4  CC(C)OCCO BB01-5911 [0,1,0,0,0,0|0,0,2]=3
14  B6R0.5  CC(C)(C)N=C=O BB01-6171 [0,1,0,0,0,0|1,0,1]=3
15  B6R0.5  CC(C)(C)N=C=S BB01-7874 [0,1,0,0,0,0|1,1,1]=4
16  B6R0.5  CC(C)(N)CCO BB01-4028 [0,1,0,0,0,0|1,0,2]=4
17  B3R0.2  CB(O)O BB55-7799 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.4  CC(C)(C)C#N BB58-4601 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.4  CC(C)(C)C=O BB17-2240 [1,1,0,0,0,0|0,0,0]=2
20  B5R0.5  CC(C)C(N)=O BB01-6147 [1,1,0,0,0,0|0,0,0]=2
21  B5R0.5  CC(C)C(N)=S BB01-7896 [1,1,0,0,0,0|0,1,0]=3
22  B5R0.5  CN(C)C(N)=S BB55-6887 [1,1,0,0,0,0|1,1,0]=4
23  B5R0.2  CCCN=C=O BB58-3576 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.2  CCOCCN BB57-6037 [1,1,0,0,0,0|1,0,1]=4
25  B7R0.2  CC(C)NC(=O)CCl BB01-5507 [0,2,0,0,0,0|1,0,0]=3
26  B7R0.2  CC(O)CC(=O)NN BB55-2167 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.2  NCC(O)CC(=O)O BB57-4937 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.6  CC(=O)CCN(C)C BB55-6125 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.6  CC(C)OCC(=O)O BB55-5141 [0,2,0,0,0,0|0,0,0]=2
30  B7R0.8  C=CC#CC(C)(C)O BB57-6759 [0,2,0,0,0,0|2,0,0]=4
31  B5R1.3  BrCC1CC1 BB58-0270 [1,0,0,1,0,0|1,0,1]=4
32  B5R1.3  NCC1CC1 BB55-3609 [1,0,0,1,0,0|1,0,1]=4
33  B7R1.1  OC[C@H]1CCCO1 BB31-4654 [0,1,0,1,0,0|1,0,1]=4
34  B7R1.20  N=C(N)NC1CC1 BB53-1252 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.20  O=C(O)CC1CC1 BB57-3745 [0,1,0,1,0,0|1,0,0]=3