0  B6R1.2  S=C1NCCO1 HY-W038985 [0,0,0,0,0,0|2,0,2]=4
1  B6R1.2  [C@H]1(F)CCNC1 HY-W004695 [0,0,0,0,0,0|2,0,0]=2
2  B5R1.1  C1CSCN1 HY-I0144 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.1  O=CN1CCCC1 HY-W102648 [0,1,0,0,0,0|1,1,0]=3
4  B7R1.1  O=NN1CCCC1 HY-W141077 [0,1,0,0,0,0|1,1,0]=3
5  B7R1.1  [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,0,0,0|2,0,0]=3
6  B7R1.4  CC1OCCC1=O HY-W010608 [0,1,0,0,0,0|1,1,1]=4
7  B7R1.14  O=S1(=O)CCCO1 HY-W010479 [0,1,0,0,0,0|2,1,0]=4
8  B5R0.2  C=CCCCO HY-W010639 [0,0,1,0,0,0|0,1,2]=4
9  B5R0.3  CCC(O)CC HY-W087988 [0,0,1,0,0,0|0,1,0]=2
10  B5R0.3  CC[C@H](C)CO HY-W093104 [0,0,1,0,0,0|2,0,0]=3
11  B5R0.3  CC[PH](=O)CC HY-W094280 [0,0,1,0,0,0|1,1,0]=3
12  B5R0.3  OCC(Cl)CO HY-W585827 [0,0,1,0,0,0|3,0,0]=4
13  B5R0.3  OCC(O)CS HY-W010572 [0,0,1,0,0,0|2,1,0]=4
14  B5R0.3  OC[13CH](O)CO HY-B1659S2 [0,0,1,0,0,0|2,1,0]=4
15  B5R0.3  O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,0,1,0,0,0|2,1,0]=4
16  B5R0.3  O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,0,1,0,0,0|2,1,0]=4
17  B5R1.2  C[C@H]1CCN1 HY-35279 [0,0,0,0,1,0|2,0,0]=3
18  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,0,0,0,1|1,0,1]=3
19  B4R0.1  C[C@H](N)CO HY-Y0837 [1,0,1,0,0,0|2,0,0]=4
20  B4R0.1  C[C@H](O)CO HY-79334 [1,0,1,0,0,0|1,1,0]=4
21  B4R0.2  CCCNC HY-W250110E [1,0,1,0,0,0|1,0,0]=3
22  B4R0.2  CCCNC HY-W250110I [1,0,1,0,0,0|1,0,0]=3
23  B6R0.2  CC(C)NC(C)C HY-B2210 [0,1,1,0,0,0|2,0,0]=4
24  B6R0.3  CC(C)[C@@H](N)CO HY-30167 [0,1,1,0,0,0|2,0,0]=4
25  B6R0.6  NCCOCCS HY-140651 [0,1,1,0,0,0|1,0,0]=3
26  B6R0.6  NCCOCCS HY-168937D [0,1,1,0,0,0|1,0,0]=3
27  B6R0.6  OCCOCCO HY-B1952R [0,1,1,0,0,0|1,1,0]=4
28  B6R1.6  OC[C@H]1CCN1 HY-W061628 [0,1,0,0,1,0|1,1,0]=4
29  B8R1.2  O=NN1CCOCC1 HY-131123 [0,1,0,0,0,1|1,1,0]=4
30  B8R1.7  O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,2,0,0,0,0|1,1,0]=4
31  B8R1.7  O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,2,0,0,0,0|1,1,0]=4
32  B8R2.34  C1=CC2CCC1C2 HY-W013021 [0,0,0,1,0,1|1,0,1]=4