0  B4R0.1  C#C[C@H](C)N BB31-2680 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  CC(N)C#N BB31-5240 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CC(=O)CCBr BB31-4479 [0,1,0,0,0,0|1,0,0]=2
3  B5R0.1  CC(O)CCBr BB32-3029 [0,1,0,0,0,0|1,0,2]=4
4  B5R0.1  COCC(C)Br BB31-8127 [0,1,0,0,0,0|1,1,1]=4
5  B5R0.1  COCC(N)=O BB31-3207 [0,1,0,0,0,0|1,1,0]=3
6  B5R0.1  O=C(O)CCF BB32-2513 [0,1,0,0,0,0|2,0,0]=3
7  B5R0.1  O=C(O)\C=C\Br BB31-5400 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.3  CCC(=O)CN BB31-8248 [0,1,0,0,0,0|1,0,0]=2
9  B5R0.3  CO[C@@H](C)CO BB31-0453 [0,1,0,0,0,0|0,1,2]=4
10  B5R0.5  CC(=O)C(N)=O BB32-3571 [0,1,0,0,0,0|2,0,0]=3
11  B5R1.2  CC1CCN1 BB31-0642 [0,0,0,1,0,0|2,0,1]=4
12  B2R0.1  CNN BB32-2724 [2,0,0,0,0,0|2,0,0]=4
13  B4R0.2  C=CCCI BB31-6880 [1,1,0,0,0,0|1,0,1]=4
14  B6R0.1  C#CCC(=O)OC BB32-1580 [0,2,0,0,0,0|0,1,0]=3
15  B6R0.1  CCCC(=O)CCl BB31-4027 [0,2,0,0,0,0|1,0,0]=3
16  B6R0.1  CN(C=O)CCO BB31-3078 [0,2,0,0,0,0|2,0,0]=4
17  B6R0.1  NNC(=O)CCO BB31-4269 [0,2,0,0,0,0|2,0,0]=4
18  B6R0.3  CC(C#N)C(=O)O BB32-3033 [0,2,0,0,0,0|2,0,0]=4
19  B6R0.3  CC[C@@H](C)C(=O)O BB31-4656 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.3  CC[C@@H](O)C(=O)O BB31-3920 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.3  CN(C)C(=O)CI BB31-8712 [0,2,0,0,0,0|1,0,0]=3
22  B6R0.3  NC[C@@H](N)C(=O)O BB31-4003 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.4  CC(=O)CCCBr BB31-6000 [0,2,0,0,0,0|1,0,0]=3
24  B6R0.4  COCOC(C)=O BB32-2824 [0,2,0,0,0,0|0,1,0]=3
25  B6R0.4  NCCNC(N)=O BB32-3910 [0,2,0,0,0,0|2,0,0]=4
26  B6R1.2  BrC1CCSC1 BB52-7755 [0,1,0,1,0,0|1,0,1]=4
27  B6R1.2  NC1=NCCO1 BB32-1676 [0,1,0,1,0,0|1,1,0]=4
28  B6R1.2  NC1CCSC1 BB52-7752 [0,1,0,1,0,0|1,0,1]=4
29  B6R1.2  O=C1C=CCS1 BB32-1702 [0,1,0,1,0,0|0,0,1]=3
30  B6R1.2  OC1CCSC1 BB52-7751 [0,1,0,1,0,0|0,0,2]=4
31  B6R1.5  CN1CC(=O)C1 BB31-3564 [0,1,0,1,0,0|1,0,0]=3
32  B6R1.5  O=C1CC(O)C1 BB31-5120 [0,1,0,1,0,0|1,0,0]=3
33  B6R1.11  O=C(O)C1CO1 BB31-6282 [0,1,0,1,0,0|1,1,0]=4
34  B6R1.11  O=C([O-])[C@H]1CO1 BB31-6739 [0,1,0,1,0,0|1,1,0]=4
35  B6R1.6  CSC1CNC1 BB31-2729 [0,1,0,1,0,0|1,0,1]=4