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1  B13R1.337  CN(C)CCCNC1CCCCC1 Z90512488 [1,0,0,0,0,0|3,0,0]=4
2  B13R1.337  O=C(O)CCCCN1CCCCC1 Z1270387209 [1,0,0,0,0,0|3,0,0]=4
3  B15R1.362  CC1CCCCC1OCCNS(=O)(=O)C Z416437818 [0,1,0,0,0,0|3,0,0]=4
4  B15R2.4444  CS(=O)(=O)NC1CC1C2CCCCC2 Z1271280569 [0,0,0,1,0,0|3,0,0]=4
5  B15R2.7532  O=S1(=O)CCC(C1)NC2CCCCC2 Z56988269 [0,0,0,1,0,0|1,0,0]=2
6  B15R2.7532  O=S1(=O)CCC(C1)NC2CCNCC2 Z425810488 [0,0,0,1,0,0|2,0,0]=3
7  B15R2.109477  CS(=O)(=O)N1CCOC2C1CCCC2 Z573587150 [0,0,0,1,0,0|3,0,0]=4
8  B15R2.109477  NS(=O)(=O)N1CCC[C@H]2[C@@H]1CCCC2 Z1792685795 [0,0,0,1,0,0|3,0,0]=4
9  B15R2.109477  O=S(=O)(F)N1CCCC2C1CCCC2 Z3466011326 [0,0,0,1,0,0|3,0,0]=4
10  B13R1.2904  CS(=O)(=O)NCCCC1CCCC1 Z319888734 [0,0,0,0,1,0|3,0,0]=4
11  B13R1.2904  O=S(=O)(F)CCOCC1CCCC1 Z2907448719 [0,0,0,0,1,0|3,0,0]=4
12  B13R1.3523  CS(=O)(=O)NCCC1CCCCN1 Z299971750 [0,0,0,0,1,0|3,0,0]=4
13  B13R1.3523  NS(=O)(=O)CCOC1CCCCC1 Z1206904517 [0,0,0,0,1,0|2,0,0]=3
14  B13R1.3523  NS(=O)(=O)NCCC1CCNCC1 Z3492404705 [0,0,0,0,1,0|3,0,0]=4
15  B15R1.3890  CS(=O)(=O)CCSCCN1CCCCC1 Z1449297761 [0,0,0,0,0,1|3,0,0]=4
16  B15R1.3890  CS(=O)(=O)NCCCOC1CCCCC1 Z133866314 [0,0,0,0,0,1|2,0,0]=3
17  B15R1.3890  CS(=O)(=O)NCCSCC1CCCCC1 Z1147677001 [0,0,0,0,0,1|3,0,0]=4
18  B15R1.16600  CS(=O)(=O)CCSCC1CCCCCC1 Z1675255641 [0,0,0,0,0,1|3,0,0]=4
19  B15R1.16600  CS(=O)(=O)NCCOC1CCCCCC1 Z1228551093 [0,0,0,0,0,1|3,0,0]=4
20  B15R1.16600  O=S(=O)(O)CCCCN1CCCCCC1 Z123644776 [0,0,0,0,0,1|2,0,0]=3
21  B12R0.234  CCCCCCCCCCC(=O)O Z104473988 [1,0,1,0,0,0|2,0,0]=4
22  B12R1.8  COCCCNC1CCCCC1 Z3547453339 [2,0,0,0,0,0|1,1,0]=4
23  B14R0.810  CCCC(CC)S(=O)CCCS(=O)(=O)C Z1956913329 [0,1,1,0,0,0|2,0,0]=4
24  B14R0.810  CCCC(CC)S(=O)CCCS(=O)(=O)N Z1956912596 [0,1,1,0,0,0|2,0,0]=4
25  B14R1.159  NC1CCCCC1CCCCC(=O)O Z5628310222 [1,1,0,0,0,0|2,0,0]=4
26  B14R1.677  CC1CCC(CC1)OCCCC(=O)O Z316259158 [1,1,0,0,0,0|2,0,0]=4
27  B14R1.147  CC1CCCC(C1)CCNS(=O)(=O)C Z1212976572 [0,1,0,0,1,0|2,0,0]=4
28  B14R1.3099  CN(CCC1CCCCC1)S(=O)(=O)C Z1003563324 [0,1,0,0,1,0|2,0,0]=4
29  B16R1.8819  CC1CCCCC1NCCCCS(=O)(=O)C Z1723036380 [0,1,0,0,0,1|1,0,0]=3
30  B16R1.12545  O=C(NCCCS(=O)(=O)F)C1CCOCC1 Z3267389795 [0,1,0,0,0,1|2,0,0]=4
31  B16R1.59031  CS(=O)(=O)CCNC(=O)NC1CCCCC1 Z1021248200 [0,1,0,0,0,1|1,0,1]=4
32  B16R1.59031  CS(=O)(=O)NCCC(=O)NC1CCCCC1 Z377489498 [0,1,0,0,0,1|1,0,1]=4
33  B16R1.7418  CC1CCCCC1NCCN(C)S(=O)(=O)C Z1723040912 [0,2,0,0,0,0|2,0,0]=4
34  B16R1.7422  CC(CNC1CCCCC1C)CS(=O)(=O)C Z1723034622 [0,2,0,0,0,0|1,0,0]=3
35  B16R1.11231  CC1CCCC(C1NCCNS(=O)(=O)C)C Z335572376 [0,2,0,0,0,0|2,0,0]=4
36  B14R1.3131  CS(=O)(=O)CCCN1CCCC1CO Z1097110210 [0,0,1,1,0,0|2,0,0]=4
37  B14R2.55  O=C(O)C1CCNC12CCOCC2 Z3614130169 [1,0,0,1,0,0|2,0,0]=4
38  B14R2.333  O=S1(=O)CCCN1C2CCNCC2 Z803067970 [1,0,0,1,0,0|1,0,0]=3
39  B14R2.409  O=S1(=O)CCNCC12CCCCC2 Z1365534259 [1,0,0,1,0,0|2,0,0]=4
40  B14R2.31359  O=C(O)C1CCCC2C1CCCC2 Z1262514786 [1,0,0,1,0,0|2,0,0]=4
41  B14R2.24043  O=S1(=O)CCC(C1)NC2CCCC2 Z89283343 [0,0,0,1,1,0|1,0,0]=3
42  B14R2.15525  O=S(=O)(F)C1CCC2CCC1OC2 Z3333543438 [0,0,0,1,1,0|2,0,0]=4
43  B14R2.45895  O=S(=O)(F)C[C@@H]1C[C@H]2[C@@H]1CCCC2 Z3333541095 [0,0,0,1,1,0|1,0,0]=3
44  B16R2.2313  CS(=O)(=O)N1CCCC1C2CCCCC2 Z741717422 [0,0,0,1,0,1|2,0,0]=4
45  B12R1.252  O=C(O)CCCC1CCCCC1 Z104482928 [1,0,0,0,1,0|1,0,0]=3
46  B12R1.252  O=C(O)CCCC1CCCCN1 Z2106608775 [1,0,0,0,1,0|2,0,0]=4
47  B12R1.252  O=C(O)CCCC1CCCNC1 Z2831439612 [1,0,0,0,1,0|2,0,0]=4
48  B12R1.252  O=C(O)CCCC1CCNCC1 Z2106608777 [1,0,0,0,1,0|2,0,0]=4
49  B12R1.252  O=C(O)CCCC1CCOCC1 Z1209411166 [1,0,0,0,1,0|2,0,0]=4
50  B12R1.252  O=C(O)CCCN1CCCCC1 Z600397690 [1,0,0,0,1,0|2,0,0]=4
51  B12R1.252  O=C(O)CCNC1CCCCC1 Z3344728240 [1,0,0,0,1,0|1,0,0]=3
52  B12R1.252  O=C(O)CCNC1CCNCC1 Z1737940641 [1,0,0,0,1,0|2,0,0]=4
53  B12R1.891  CS(=O)(=O)CCC1CCCCN1 Z2188172198 [0,0,0,0,2,0|2,0,0]=4
54  B12R1.891  NS(=O)(=O)CCC1CCCCC1 Z1400796472 [0,0,0,0,2,0|1,0,0]=3
55  B12R1.891  NS(=O)(=O)CCC1CCCCN1 Z3156156900 [0,0,0,0,2,0|2,0,0]=4
56  B12R1.891  O=S(=O)(F)CCC1CCCCC1 Z2907445833 [0,0,0,0,2,0|1,0,0]=3
57  B12R1.891  O=S(=O)(F)CCC1CCCCN1 Z3069147322 [0,0,0,0,2,0|2,0,0]=4
58  B12R1.891  O=S(=O)(F)CCC1CCCNC1 Z4297384656 [0,0,0,0,2,0|2,0,0]=4
59  B12R1.891  O=S(=O)(F)CCC1CCNCC1 Z4302465000 [0,0,0,0,2,0|2,0,0]=4
60  B12R1.891  O=S(=O)(F)CCC1CCOCC1 Z2907429169 [0,0,0,0,2,0|2,0,0]=4
61  B12R1.891  O=S(=O)(O)CCN1CCOCC1 Z1079084978 [0,0,0,0,2,0|2,0,0]=4