0  B5R0.1  CN(C)CC=O CS-0114075 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  C=CC(N)=O CS-0197970 [1,0,0,0,0,0|1,0,0]=2
2  B4R0.1  NC(=O)CCl CS-W011345 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  O=C(O)CO CS-W016683 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.1  CCC(=O)CC#N CS-0084645 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CCC(=O)CSC CS-0434652 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  COC(=O)CSC CS-W013574 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.1  COC(=O)NC#N CS-0379068 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.2  CC(=O)\C=C(\C)N CS-0095595 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.2  CC(C)OC(=S)[S-] CS-0109042 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  CC(=O)\C(C)=N\O CS-0015129 [0,1,0,0,0,0|3,0,0]=4
11  B6R0.4  C=CCOC(N)=O CS-0199028 [0,1,0,0,0,0|1,0,0]=2
12  B6R0.4  O=C(O)\C=C\CCl CS-0368704 [0,1,0,0,0,0|2,0,1]=4
13  B6R1.2  CC1=CN=CO1 CS-0139221 [0,0,0,1,0,0|2,0,0]=3
14  B6R1.2  CC1=CNC=C1 CS-W016682 [0,0,0,1,0,0|3,0,0]=4
15  B6R1.2  CC1=NSC=C1 CS-0340795 [0,0,0,1,0,0|3,0,0]=4
16  B6R1.2  NC1=NC=CN1 CS-0511688 [0,0,0,1,0,0|3,0,0]=4
17  B6R1.2  NC1=NC=CN1 CS-W018619 [0,0,0,1,0,0|3,0,0]=4
18  B6R1.2  NC1=NN=CO1 CS-0072489 [0,0,0,1,0,0|3,0,0]=4
19  B6R1.2  O=C1CCCS1 CS-0120136 [0,0,0,1,0,0|0,1,2]=4
20  B3R0.1  C(=O)O[Cs] CS-0166609 [2,0,0,0,0,0|1,0,0]=3
21  B5R0.5  O=C(O)C(=O)O CS-0015711 [1,1,0,0,0,0|2,0,0]=4
22  B5R0.2  C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.2  CC(C)OC(=O)CO CS-0154171 [0,2,0,0,0,0|0,0,2]=4
24  B7R0.2  COC(=O)CC(C)=O CS-0017265 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.7  CCOC(=O)\C=C/I CS-0151925 [0,2,0,0,0,0|2,0,0]=4
26  B7R0.7  CCOC(=O)\C=C\F CS-0890432 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.6  O=C(O)\C=C/C(=O)O CS-0015079 [0,2,0,0,0,0|2,0,0]=4
28  B5R1.2  O=C1CCO1 CS-0030919 [1,0,0,1,0,0|0,0,1]=3
29  B5R1.1  C1=CNC=N1 CS-0020516 [1,0,0,1,0,0|2,0,0]=4
30  B5R1.1  C1=NN=CO1 CS-0197119 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.1  BrCC1=NC=CO1 CS-0514047 [0,1,0,1,0,0|1,0,0]=3
32  B7R1.1  NCC1=NC=CO1 CS-0565274 [0,1,0,1,0,0|1,0,0]=3
33  B7R1.1  O=CC1=CC=NO1 CS-0342261 [0,1,0,1,0,0|1,0,1]=4
34  B7R1.2  CC1=CC=C(I)S1 CS-W014227 [0,1,0,1,0,0|1,1,0]=4
35  B7R1.2  NC1=NC(=O)CS1 CS-0033772 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.2  NC1=NCC(=O)S1 CS-B1693 [0,1,0,1,0,0|1,1,0]=4
37  B7R1.2  O=C1C=C(I)CC1 CS-0611577 [0,1,0,1,0,0|1,0,1]=4
38  B7R1.2  O=C1C=C(O)CO1 CS-W013716 [0,1,0,1,0,0|0,0,2]=4
39  B7R1.3  O=C1C=CCCO1 CS-0037765 [0,1,0,1,0,0|0,0,2]=4
40  B7R1.3  O=C1C=CNCC1 CS-0227023 [0,1,0,1,0,0|1,0,1]=4
41  B7R1.4  CC1=C(C)OC=N1 CS-0196982 [0,1,0,1,0,0|2,0,0]=4
42  B7R1.4  CC1=C(Cl)SC=C1 CS-W013401 [0,1,0,1,0,0|1,1,0]=4
43  B7R1.4  CC1=C(N)C=CS1 CS-0343369 [0,1,0,1,0,0|1,1,0]=4
44  B7R1.4  CC1=CC=CN1C CS-0613794 [0,1,0,1,0,0|2,0,0]=4