0 B6R1.2 S=C1NCCO1 HY-W038985 [0,0,0,0,0,0|3,1,0]=4 1 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,0,0,0|2,0,1]=3 2 B5R1.1 C1CSCN1 HY-I0144 [1,0,0,0,0,0|1,0,0]=2 3 B7R1.1 O=CN1CCCC1 HY-W102648 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.1 O=NN1CCCC1 HY-W141077 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,0,0,0|2,0,0]=3 6 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,0,0,0|0,1,0]=2 7 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,0,0,0|3,0,0]=4 8 B7R1.14 O=S1(=O)CCCO1 HY-W010479 [0,1,0,0,0,0|3,0,0]=4 9 B5R0.1 CNCC(=O)O HY-W012791 [0,0,1,0,0,0|2,0,0]=3 10 B5R0.1 C\C=C\C(C)=O HY-34748 [0,0,1,0,0,0|1,0,1]=3 11 B5R0.1 NOCC(=O)O HY-107994A [0,0,1,0,0,0|2,1,0]=4 12 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,1,0,0,0|2,0,0]=3 13 B5R0.2 C=CCCCO HY-W010639 [0,0,1,0,0,0|3,0,0]=4 14 B5R0.3 CCC(O)CC HY-W087988 [0,0,1,0,0,0|1,0,2]=4 15 B5R0.3 CC[C@H](C)CO HY-W093104 [0,0,1,0,0,0|1,1,1]=4 16 B5R0.3 CC[PH](=O)CC HY-W094280 [0,0,1,0,0,0|2,0,0]=3 17 B5R0.3 OCC(O)CS HY-W010572 [0,0,1,0,0,0|1,0,2]=4 18 B5R1.2 C[C@H]1CCN1 HY-35279 [0,0,0,0,1,0|2,0,1]=4 19 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,0,0,1|2,0,0]=3 20 B4R0.1 CC(=O)CN HY-W004850 [1,0,1,0,0,0|1,0,0]=3 21 B4R0.1 CSC(=N)N HY-79457 [1,0,1,0,0,0|2,0,0]=4 22 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,1,0,0,0|0,1,0]=3 23 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,1,0,0,0|1,1,0]=4 24 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,1,0,0,0|1,1,0]=4 25 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,1,0,0,0|1,1,0]=4 26 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,1,0,0,0|1,1,0]=4 27 B4R0.2 CCCNC HY-W250110E [1,0,1,0,0,0|1,0,1]=4 28 B4R0.2 CCCNC HY-W250110I [1,0,1,0,0,0|1,0,1]=4 29 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,1,1,0,0,0|2,0,0]=4 30 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,1,1,0,0,0|0,1,1]=4 31 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,1,1,0,0,0|2,0,0]=4 32 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,1,0,0,0|1,0,1]=4 33 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,1,0,0,0|2,0,0]=4 34 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,1,0,0,0|2,0,0]=4 35 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,1,0,0,0|2,0,0]=4 36 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,1,0,0,0|1,1,0]=4 37 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,1,0,0,0|1,1,0]=4 38 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,1,0,0,0|1,1,0]=4 39 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,1,0,0,0|1,0,0]=3 40 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,1,1,0,0,0|2,0,0]=4 41 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,0,0,1|1,1,0]=4 42 B8R1.11 CCN1CCCC1=O HY-B1620D [0,2,0,0,0,0|2,0,0]=4 43 B8R1.11 CCN1CCCC1=O HY-B1620K [0,2,0,0,0,0|2,0,0]=4 44 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,2,0,0,0,0|1,0,0]=3