0  B9R1.6  C1CCC(CC1)C(=O)O A2Z00093527 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.6  C1CNCCC1C(=O)O A2Z00093530 [0,0,0,0,0,0|1,0,0]=1
2  B9R1.6  CC(=O)C1CCNCC1 A2Z00096432 [0,0,0,0,0,0|2,0,0]=2
3  B9R1.6  CC(C1CCNCC1)O A2Z00095925 [0,0,0,0,0,0|2,0,1]=3
4  B8R1.2  C1CC(CNC1)CO A2Z00049972 [1,0,0,0,0,0|1,0,1]=3
5  B8R1.2  C1CNC(CN1)CO A2Z00062231 [1,0,0,0,0,0|2,0,1]=4
6  B8R1.2  C1CNCCC1C#N A2Z00094290 [1,0,0,0,0,0|2,0,1]=4
7  B8R1.2  C1COCC(N1)CO A2Z00050206 [1,0,0,0,0,0|2,0,1]=4
8  B8R1.2  C1COCCC1CO A2Z00094827 [1,0,0,0,0,0|1,0,1]=3
9  B8R1.2  CCC1CCCCN1 A2Z00093507 [1,0,0,0,0,0|2,0,1]=4
10  B10R1.13  C1CC(NCC1O)C(=O)O A2Z00049742 [0,1,0,0,0,0|1,0,0]=2
11  B10R1.15  C1CCC(CC1)C(=O)NN A2Z00094628 [0,1,0,0,0,0|1,0,0]=2
12  B10R1.15  C1CCN(CC1)C(=O)CN A2Z00044969 [0,1,0,0,0,0|2,0,0]=3
13  B10R1.15  C1COCCN1C(=O)CCl A2Z00097873 [0,1,0,0,0,0|3,0,0]=4
14  B10R1.15  CCC(=O)C1CCNCC1 A2Z00096433 [0,1,0,0,0,0|2,0,0]=3
15  B10R1.15  CCC(=O)N1CCNCC1 A2Z00094178 [0,1,0,0,0,0|3,0,0]=4
16  B10R1.15  CCC(C1CCNCC1)O A2Z00095969 [0,1,0,0,0,0|2,0,1]=4
17  B10R1.15  CNC(=O)C1CCNCC1 A2Z00094629 [0,1,0,0,0,0|2,0,0]=3
18  B10R1.15  COC(=O)C1=CCNCC1 A2Z00095425 [0,1,0,0,0,0|1,0,2]=4
19  B10R1.113  C1C(CNNC1=O)C(=O)O A2Z00096532 [0,1,0,0,0,0|2,0,1]=4
20  B10R1.363  C1CCC(CC1)(C(=O)O)N A2Z00057470 [0,1,0,0,0,0|0,0,0]=1
21  B8R0.7  CC(=O)NCCCCN A2Z00047089 [0,0,1,0,0,0|3,0,0]=4
22  B8R0.7  CC(=O)NCCCCO A2Z00047993 [0,0,1,0,0,0|3,0,0]=4
23  B8R0.7  CCCCCCC(=O)O A2Z00093531 [0,0,1,0,0,0|0,0,0]=1
24  B8R0.7  CCCNCCC(=O)O A2Z00070008 [0,0,1,0,0,0|1,0,0]=2
25  B8R0.7  CCCNCCC(=O)O A2Z00070304 [0,0,1,0,0,0|1,0,0]=2
26  B8R0.8  CC(C(=O)O)OCCN A2Z00070299 [0,0,1,0,0,0|2,0,0]=3
27  B8R0.8  CSCCC(C(=O)O)N A2Z00093547 [0,0,1,0,0,0|2,0,0]=3
28  B8R1.7  C1CNCC1C(=O)O A2Z00096244 [0,0,0,0,1,0|1,0,0]=2
29  B10R1.18  C1CCN(CC1)CC(=O)N A2Z00038609 [0,0,0,0,0,1|2,0,0]=3
30  B10R1.18  C1CCOC(C1)CC(=O)O A2Z00049521 [0,0,0,0,0,1|1,0,0]=2
31  B10R1.18  C1COCCC1CC(=O)N A2Z00096494 [0,0,0,0,0,1|2,0,0]=3
32  B10R1.18  C1COCCC1CC(=O)O A2Z00095945 [0,0,0,0,0,1|1,0,0]=2
33  B10R1.18  CC(=O)CN1CCNCC1 A2Z00047843 [0,0,0,0,0,1|3,0,0]=4
34  B7R0.1  C(CCCO)CCN A2Z00096548 [1,0,1,0,0,0|1,0,1]=4
35  B7R0.4  C(CCS)CC(=O)O A2Z00070146 [1,0,1,0,0,0|1,0,0]=3
36  B7R0.4  C(CSCC(=O)O)N A2Z00070138 [1,0,1,0,0,0|2,0,0]=4
37  B7R0.4  CSCCCC(=O)O A2Z00070144 [1,0,1,0,0,0|1,0,0]=3
38  B7R0.15  CCN(CC)C(=O)Cl A2Z00096009 [1,0,1,0,0,0|2,0,0]=4
39  B7R1.3  C1CC(=O)CNC1 A2Z00096272 [2,0,0,0,0,0|1,0,1]=4
40  B7R1.3  C1CCC(CC1)N A2Z00093495 [2,0,0,0,0,0|1,0,0]=3
41  B7R1.3  C1COCCC1=O A2Z00096060 [2,0,0,0,0,0|1,0,1]=4
42  B7R1.3  C1CSCCC1=O A2Z00050190 [2,0,0,0,0,0|1,0,1]=4
43  B7R1.3  CC1CCCNC1 A2Z00093496 [2,0,0,0,0,0|1,0,1]=4
44  B7R1.3  CC1CCNCC1 A2Z00093494 [2,0,0,0,0,0|1,0,1]=4
45  B9R0.1  C(CC(=O)CN)CC(=O)O A2Z00050332 [0,1,1,0,0,0|1,0,1]=4
46  B9R0.2  C(CNCCC(=O)O)C#N A2Z00070037 [0,1,1,0,0,0|1,0,1]=4
47  B9R0.42  CCC(=O)CC(C(=O)O)N A2Z00096363 [0,1,1,0,0,0|1,0,1]=4
48  B9R1.8  C1COCCC1CCO A2Z00096236 [1,1,0,0,0,0|1,0,1]=4
49  B9R1.8  C1COCCC1N=C=O A2Z00048847 [1,1,0,0,0,0|1,0,1]=4
50  B9R1.11  C1CCN(C1)C(=O)CCl A2Z00046081 [0,1,0,0,1,0|2,0,0]=4
51  B9R1.11  COC(=O)C1CCCN1 A2Z00096650 [0,1,0,0,1,0|1,0,0]=3
52  B9R1.11  COC(=O)C1CCNC1 A2Z00096294 [0,1,0,0,1,0|1,0,0]=3
53  B9R1.19  C1CCC(C1)S(=O)(=O)Cl A2Z00046189 [0,1,0,0,1,0|1,0,1]=4
54  B11R1.40  C1CCC(CC1)NC(=O)CCl A2Z00067386 [0,1,0,0,0,1|1,0,0]=3
55  B11R1.40  C1CCC(CC1)NC(=O)CN A2Z00044970 [0,1,0,0,0,1|1,0,0]=3
56  B11R1.40  CNC(=O)CC1CCOCC1 A2Z00050488 [0,1,0,0,0,1|2,0,0]=4
57  B11R1.40  COC(=O)C=C1CCOCC1 A2Z00096394 [0,1,0,0,0,1|1,0,1]=4
58  B11R1.40  COC(=O)CC1CCOCC1 A2Z00096500 [0,1,0,0,0,1|1,0,0]=3
59  B11R1.40  COC(=O)CC1CCSCC1 A2Z00096481 [0,1,0,0,0,1|1,0,0]=3
60  B11R1.509  C1CCC(CC1)NS(=O)(=O)Cl A2Z00048838 [0,1,0,0,0,1|1,0,1]=4
61  B11R1.928  C1CCC(CC1)(CC(=O)O)N A2Z00087390 [0,1,0,0,0,1|0,0,0]=2
62  B11R1.16  CCNC(=O)C1CCNCC1 A2Z00094630 [0,2,0,0,0,0|2,0,0]=4
63  B11R1.16  CCOC(=O)C1CCNCC1 A2Z00038658 [0,2,0,0,0,0|1,0,0]=3
64  B11R1.222  COC(=O)C1CNCCC1=O A2Z00096453 [0,2,0,0,0,0|1,0,1]=4
65  B9R1.13  C1COC(O1)CC(=O)O A2Z00096436 [0,0,1,1,0,0|2,0,0]=4
66  B9R1.119  CCC1(COC1)C(=O)O A2Z00050365 [0,0,1,1,0,0|1,0,0]=3
67  B11R2.845  C1C2CC(C1C=C2)C(=O)O A2Z00096512 [0,1,0,1,0,0|0,0,2]=4
68  B7R1.1  C1CC(OC1)CO A2Z00093498 [1,0,0,0,1,0|1,0,1]=4
69  B7R1.1  C1CCC(C1)CN A2Z00046187 [1,0,0,0,1,0|1,0,1]=4
70  B11R1.91  C1COCCC1CCC(=O)O A2Z00050184 [0,0,0,0,0,2|1,0,0]=3