0  B4R0.2  CCCCCl F0001-0200 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.2  CSCCN F2191-0292 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.1  CCNC F2158-0955 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.1  CC(C)CC#N F0001-1677 [0,1,0,0,0,0|2,0,1]=4
4  B5R0.1  COCC(C)N F2190-0371 [0,1,0,0,0,0|3,0,0]=4
5  B5R0.1  COCC(N)=S F8881-7845 [0,1,0,0,0,0|2,1,0]=4
6  B5R0.2  C#CCCCI F8885-4128 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.2  CCCCC#N F0001-0220 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.2  CCCCC=O F2190-0583 [0,1,0,0,0,0|1,0,0]=2
9  B5R0.2  CCCCCO F0001-1831 [0,1,0,0,0,0|1,0,2]=4
10  B5R0.2  CCCCNN F2169-0384 [0,1,0,0,0,0|2,0,1]=4
11  B5R0.2  CCOCCCl F0001-1693 [0,1,0,0,0,0|1,0,1]=3
12  B5R0.2  CCSCCN F2147-1017 [0,1,0,0,0,0|1,1,1]=4
13  B5R0.2  CNCCOC F0001-1089 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.2  ICCCCI F0001-1692 [0,1,0,0,0,0|2,0,1]=4
15  B5R0.2  N#CCCCBr F0001-1378 [0,1,0,0,0,0|2,0,1]=4
16  B5R0.3  C#CC(O)CC F0001-1172 [0,1,0,0,0,0|2,0,1]=4
17  B5R1.2  O=C1CSC1 F2147-0949 [0,0,0,1,0,0|2,0,0]=3
18  B4R0.1  CC(C)[Mg]Cl F1905-7163 [1,1,0,0,0,0|2,0,0]=4
19  B4R0.1  O=CC(=O)O F2191-0150 [1,1,0,0,0,0|1,0,1]=4
20  B6R0.1  CCCC(=O)NN F3191-0132 [0,2,0,0,0,0|1,0,0]=3
21  B6R0.2  CC(C)CC(N)=O F1995-0350 [0,2,0,0,0,0|1,0,0]=3
22  B6R0.2  CC(C)OC(C)C F0001-0159 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.3  N[C@@H](CS)C(=O)O F8880-8973 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.4  C#CCCC(=O)O F1913-1832 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.4  CN(C)\C=C\C=O F0001-2230 [0,2,0,0,0,0|1,0,1]=4
26  B6R0.4  CSCCC(C)=O F0001-0996 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.4  N#CCCC(=O)O F8884-9159 [0,2,0,0,0,0|1,0,1]=4
28  B6R0.4  NC(=O)NCCO F1019-0075 [0,2,0,0,0,0|1,0,0]=3
29  B6R0.6  CC\C=C\CCO F0001-2233 [0,2,0,0,0,0|1,0,1]=4
30  B6R1.2  CC1=CC=NO1 F0001-2561 [0,1,0,1,0,0|1,0,1]=4
31  B6R1.2  O=C1NCCN1 F0001-0353 [0,1,0,1,0,0|1,0,0]=3
32  B6R1.5  NC1CC(=O)C1 F2147-8243 [0,1,0,1,0,0|1,0,0]=3
33  B6R1.1  C1=CCNCC1 F8889-0743 [0,1,0,1,0,0|2,0,0]=4
34  B6R1.1  C1CCOCC1 F0001-0499 [0,1,0,1,0,0|1,0,1]=4