0 B5R0.2 C=CCCCO HY-W010639 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CCCNC HY-W250110E [1,0,0,0,0,0|1,0,1]=3 2 B4R0.2 CCCNC HY-W250110I [1,0,0,0,0,0|1,0,1]=3 3 B4R0.2 O=COO[Na] HY-ER013B [1,0,0,0,0,0|3,0,0]=4 4 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,1,0,0,0,0|2,0,1]=4 6 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,1,0,0,0,0|0,0,2]=3 8 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.6 C#CCOCCBr HY-W190805 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.6 C#CCOCCI HY-W251756 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.6 NCCOCCS HY-140651 [0,1,0,0,0,0|1,1,1]=4 12 B6R0.6 NCCOCCS HY-168937D [0,1,0,0,0,0|1,1,1]=4 13 B6R0.6 OCCOCCO HY-B1952R [0,1,0,0,0,0|1,0,2]=4 14 B6R0.6 [N-]=[N+]=NCCCO HY-151851 [0,1,0,0,0,0|3,0,0]=4 15 B6R1.2 S=C1NCCO1 HY-W038985 [0,0,0,1,0,0|2,1,0]=4 16 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,0,0,1,0,0|1,0,2]=4 18 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,1,0]=4 19 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,1]=4 20 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|2,0,0]=4 21 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|2,0,0]=4 22 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|1,0,1]=4 23 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|1,0,1]=4 24 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CNCC(=O)O HY-W012791 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.1 C\C=C\C(C)=O HY-34748 [1,1,0,0,0,0|0,0,2]=4 27 B5R0.1 NOCC(=O)O HY-107994A [1,1,0,0,0,0|2,0,0]=4 28 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,1,0,0,0,0|1,0,0]=3 29 B5R0.3 CCC(O)CC HY-W087988 [1,1,0,0,0,0|0,0,1]=3 30 B5R0.3 CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|0,0,1]=3 31 B5R0.3 CC[PH](=O)CC HY-W094280 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.3 OCC(Cl)CO HY-W585827 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.3 OCC(O)CS HY-W010572 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,2,0,0,0,0|2,0,0]=4 39 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,2,0,0,0,0|1,0,0]=3 41 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,2,0,0,0,0|1,0,0]=3 42 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.3 C=CC(=O)NCCO HY-W095198 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.3 CCC(=O)OCOC HY-41616 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,2,0,0,0,0|0,0,2]=4 46 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [0,2,0,0,0,0|0,0,0]=2 47 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,2,0,0,0,0|0,0,2]=4 48 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.4 NCCNCC(=O)O HY-W012883 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.4 O=C(O)COCCO HY-W591338A [0,2,0,0,0,0|1,0,0]=3 53 B7R0.4 O=C(O)COCCO HY-W591338B [0,2,0,0,0,0|1,0,0]=3 54 B7R0.4 O=C(O)COCCS HY-140728 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.1 C=CCCCCCO HY-W127475 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.1 COCCOCCBr HY-133277 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.1 COCCOCCO HY-140697 [0,2,0,0,0,0|0,0,2]=4 60 B7R0.1 COCCOCCS HY-140707 [0,2,0,0,0,0|0,1,1]=4 61 B7R0.1 COCCOCCS HY-140709 [0,2,0,0,0,0|0,1,1]=4 62 B7R0.1 [N-]=[N+]=NCCCCN HY-108374 [0,2,0,0,0,0|2,0,0]=4 63 B5R1.1 C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,1,0]=4 64 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.1 O=CN1CCCC1 HY-W102648 [0,1,0,1,0,0|0,0,0]=2 66 B7R1.1 O=NN1CCCC1 HY-W141077 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,1,0,0|0,0,2]=4 68 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,1,0,0|1,0,1]=4 69 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|0,0,0]=2 71 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.14 O=S1(=O)CCCO1 HY-W010479 [0,1,0,1,0,0|2,0,0]=4