0 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,0,0|1,2,1]=4 3 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,0,0|1,2,1]=4 4 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,0,0|1,2,1]=4 5 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,0,0|1,2,1]=4 6 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,0,0|1,2,1]=4 7 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,0,0|1,2,1]=4 8 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,0,0|1,2,1]=4 9 B5R0.5 CC(O)C(C)O HY-128387 [0,0,0,0,0,0|0,2,0]=2 10 B5R0.5 CC(O)C(C)O HY-128387R [0,0,0,0,0,0|0,2,0]=2 11 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,0,0,0,0,0|0,2,0]=2 12 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,0,0|2,1,1]=4 14 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,0,0|1,2,1]=4 15 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,0,0|2,1,1]=4 16 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|0,2,1]=4 17 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|0,2,0]=3 19 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|0,1,0]=2 20 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|0,2,0]=3 23 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|1,1,1]=4 26 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.2 CC(N)CN(C)C HY-32007 [0,0,0,0,0,1|3,0,0]=4 28 B6R0.2 CC(N)CN(C)C HY-32007A [0,0,0,0,0,1|3,0,0]=4 29 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,1,0]=4 32 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,0,0]=3 33 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|0,2,0]=4 34 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|0,2,0]=4 35 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|0,2,0]=4 36 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|0,2,0]=4 37 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|0,2,0]=4 38 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|0,2,0]=4 39 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|0,2,0]=4 40 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|0,2,0]=4 41 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|0,2,0]=4 42 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|0,2,0]=4 43 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|0,2,0]=4 44 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|0,2,0]=4 45 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|0,2,0]=4 46 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|0,2,0]=4 47 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|0,2,0]=4 48 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|0,2,0]=4 49 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|0,2,0]=4 50 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|0,2,0]=4 51 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,1,0]=3 52 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|2,0,0]=4 54 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,1,0]=4 55 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|2,0,0]=4 56 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|0,1,1]=4 58 B5R0.1 CC(N)CC#N HY-W018936 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,1,0]=3 60 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,1,0]=3 61 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|0,1,1]=4 62 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,1,0]=3 63 B5R0.3 NCC(O)CO HY-W002040 [1,1,0,0,0,0|0,2,0]=4 64 B5R0.3 NC[C@@H](O)CCl HY-W108649 [1,1,0,0,0,0|1,1,0]=4 65 B5R0.3 OC(CBr)CBr HY-W014092 [1,1,0,0,0,0|1,1,0]=4 66 B5R0.3 OCC(O)CO HY-B1659 [1,1,0,0,0,0|0,2,0]=4 67 B5R0.3 OCC(O)CO HY-B1659R [1,1,0,0,0,0|0,2,0]=4 68 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|0,0,0]=2 69 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|1,1,0]=4 70 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|1,1,0]=4 71 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,1,0]=4 72 B5R0.4 CC[N+](C)(C)C HY-W101257 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,1|2,0,0]=4 74 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [0,1,0,0,0,1|2,0,0]=4 75 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,0,1|0,2,0]=4 76 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,0,1|0,2,0]=4 77 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [0,2,0,0,0,0|0,2,0]=4 78 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [0,2,0,0,0,0|0,2,0]=4 79 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,2,0,0,0,0|0,2,0]=4 80 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,2,0,0,0,0|0,2,0]=4 81 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,2,0,0,0,0|0,2,0]=4 82 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [0,2,0,0,0,0|0,2,0]=4 83 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.13 CC(C)C(C)(N)C#N HY-W040802 [0,2,0,0,0,0|2,0,0]=4 85 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,1,0,0|2,0,0]=4 86 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|1,1,0]=4 87 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|0,1,0]=3 88 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,1,0]=4 89 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|2,0,0]=4 90 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|0,2,0]=4 91 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [0,1,0,1,0,0|1,1,0]=4