0 B5R0.2 C=CCCCO HY-W010639 [1,0,0,0,0,0|0,0,2]=3 1 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|1,0,0]=2 2 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|0,0,0]=1 3 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.3 OCC(Cl)CO HY-W585827 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.3 OCC(O)CS HY-W010572 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.3 CCC(=O)OCOC HY-41616 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.5 CN(CCO)C(=N)N HY-160080 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.11 C[N+](C)(CI)CCO HY-W130177 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|1,0,1]=3 20 B4R0.1 CCB(O)O HY-W000933 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 C[C@H](N)CO HY-Y0837 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,0]=3 23 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,1]=4 24 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,0]=3 25 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,0]=3 26 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|0,0,1]=3 27 B6R0.2 CC(C)NC(C)C HY-B2210 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [1,1,0,0,0,0|0,0,0]=2 29 B6R0.5 C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [1,1,0,0,0,0|1,0,0]=3 30 B6R0.6 NCCOCCS HY-140651 [1,1,0,0,0,0|1,1,0]=4 31 B6R0.6 NCCOCCS HY-168937D [1,1,0,0,0,0|1,1,0]=4 32 B6R0.6 OCCOCCO HY-B1952R [1,1,0,0,0,0|1,0,0]=3 33 B6R0.6 [N-]=[N+]=NCCCO HY-151851 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,2,0,0,0,0|0,0,1]=3 35 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,2,0,0,0,0|0,0,1]=3 36 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,2,0,0,0,0|0,0,1]=3 37 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,2,0,0,0,0|0,0,1]=3 38 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,2,0,0,0,0|1,0,1]=4 40 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|1,0,1]=4 41 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [1,0,0,1,0,0|2,0,0]=4 42 B6R1.6 OC[C@H]1CCN1 HY-W061628 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,1,0,0|2,0,0]=4 44 B8R2.34 C1=CC2CCC1C2 HY-W013021 [0,0,0,2,0,0|1,0,1]=4