0 B5R1.3 BrCC1CC1 HY-Y1100 [0,1,0,0,0,0|1,0,0]=2 1 B5R1.3 OCC1CO1 HY-Y1010 [0,1,0,0,0,0|0,0,0]=1 2 B3R0.1 C(=O)ON HY-Y0488A [0,0,1,0,0,0|2,0,1]=4 3 B3R0.1 CNNC HY-W460407 [0,0,1,0,0,0|2,0,0]=3 4 B3R0.1 CNOC HY-41074 [0,0,1,0,0,0|1,0,0]=2 5 B3R0.1 NCCO HY-W035903 [0,0,1,0,0,0|1,0,0]=2 6 B3R0.1 NCCS HY-77591 [0,0,1,0,0,0|1,1,0]=3 7 B3R0.1 O=[13CH]CO HY-146995S [0,0,1,0,0,0|1,0,1]=3 8 B3R0.1 OCCO HY-Y0338 [0,0,1,0,0,0|1,0,0]=2 9 B3R0.1 OCCO HY-Y0873A [0,0,1,0,0,0|1,0,0]=2 10 B3R0.1 OCCO HY-Y0873A1 [0,0,1,0,0,0|1,0,0]=2 11 B3R0.1 OCCO HY-Y0873B [0,0,1,0,0,0|1,0,0]=2 12 B3R0.1 OCCO HY-Y0873C [0,0,1,0,0,0|1,0,0]=2 13 B3R0.1 OCCO HY-Y0873E [0,0,1,0,0,0|1,0,0]=2 14 B3R0.1 OCCO HY-Y0873F [0,0,1,0,0,0|1,0,0]=2 15 B3R0.1 OCCO HY-Y0873G [0,0,1,0,0,0|1,0,0]=2 16 B3R0.1 OCCO HY-Y0873H [0,0,1,0,0,0|1,0,0]=2 17 B3R0.1 OCCO HY-Y0873I [0,0,1,0,0,0|1,0,0]=2 18 B3R0.1 OCCO HY-Y0873J [0,0,1,0,0,0|1,0,0]=2 19 B3R0.1 OCCO HY-Y0873K [0,0,1,0,0,0|1,0,0]=2 20 B3R0.1 OCCO HY-Y0873L [0,0,1,0,0,0|1,0,0]=2 21 B3R0.1 OCCO HY-Y0873M [0,0,1,0,0,0|1,0,0]=2 22 B3R0.1 OCCO HY-Y0873N [0,0,1,0,0,0|1,0,0]=2 23 B3R0.1 OCCO HY-Y0873O [0,0,1,0,0,0|1,0,0]=2 24 B3R0.1 OCCO HY-Y0873P [0,0,1,0,0,0|1,0,0]=2 25 B3R0.1 OCCO HY-Y0873Q [0,0,1,0,0,0|1,0,0]=2 26 B3R0.1 OOOP HY-Y1939A [0,0,1,0,0,0|3,0,0]=4 27 B3R0.2 CB(O)O HY-34449 [0,0,1,0,0,0|2,0,0]=3 28 B3R0.2 CC(=O)O HY-13443A [0,0,1,0,0,0|1,0,1]=3 29 B3R0.2 CC(=O)O HY-75153 [0,0,1,0,0,0|1,0,1]=3 30 B3R0.2 CC(=O)O HY-P0052A [0,0,1,0,0,0|1,0,1]=3 31 B3R0.2 CC(=O)O HY-W094353 [0,0,1,0,0,0|1,0,1]=3 32 B3R0.2 CC(=O)O HY-Y0849C [0,0,1,0,0,0|1,0,1]=3 33 B3R0.2 CC(C)[O-] HY-133023 [0,0,1,0,0,0|0,0,1]=2 34 B3R0.2 CC(N)=O HY-Y0946 [0,0,1,0,0,0|1,0,2]=4 35 B3R0.2 CC(N)=S HY-Y0698 [0,0,1,0,0,0|1,1,1]=4 36 B3R0.2 CN(C)C HY-Y0504 [0,0,1,0,0,0|2,0,0]=3 37 B3R0.2 CN(C)C HY-Y0504R [0,0,1,0,0,0|2,0,0]=3 38 B3R0.2 CS(C)=O HY-Y0320R [0,0,1,0,0,0|1,0,1]=3 39 B3R0.2 C[13C](=O)O HY-W772341 [0,0,1,0,0,0|1,0,1]=3 40 B3R0.2 C[Cr](C)C HY-D1163 [0,0,1,0,0,0|2,0,0]=3 41 B3R0.2 O=[13C]([O-])O HY-Y0287AS [0,0,1,0,0,0|2,0,1]=4 42 B3R0.2 O[AlH3](O)O HY-B1521 [0,0,1,0,0,0|3,0,0]=4 43 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [0,0,1,0,0,0|2,0,0]=3 44 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,0,0,1|2,0,0]=3 45 B5R1.2 IC1COC1 HY-W016306 [0,0,0,0,0,1|1,0,0]=2 46 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,0,0,1|1,0,1]=3 47 B5R1.2 O=C1COC1 HY-76440 [0,0,0,0,0,1|1,0,1]=3 48 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,0,0,1|2,0,0]=3 49 B5R1.2 OC1CNC1 HY-40144 [0,0,0,0,0,1|2,0,0]=3 50 B2R0.1 C=CO HY-Y0850 [1,0,1,0,0,0|0,0,2]=4 51 B2R0.1 C=CO HY-Y0850E [1,0,1,0,0,0|0,0,2]=4 52 B2R0.1 C=CO HY-Y0850H [1,0,1,0,0,0|0,0,2]=4 53 B2R0.1 C=CO HY-Y0850I [1,0,1,0,0,0|0,0,2]=4 54 B2R0.1 C=CO HY-Y0850J [1,0,1,0,0,0|0,0,2]=4 55 B2R0.1 C=CO HY-Y0850K [1,0,1,0,0,0|0,0,2]=4 56 B2R0.1 C=CO HY-Y0850N [1,0,1,0,0,0|0,0,2]=4 57 B2R0.1 C=CO HY-Y0850P [1,0,1,0,0,0|0,0,2]=4 58 B2R0.1 C=CO HY-Y0850U6 [1,0,1,0,0,0|0,0,2]=4 59 B2R0.1 CON HY-Y0958 [1,0,1,0,0,0|1,0,0]=3 60 B2R0.1 C[Cu]C HY-Y1102A [1,0,1,0,0,0|1,0,0]=3 61 B2R0.1 C[Pd]C HY-W002072 [1,0,1,0,0,0|1,0,0]=3 62 B2R0.1 C[Zn]C HY-B1817 [1,0,1,0,0,0|1,0,0]=3 63 B2R0.1 C[Zn]C HY-B1817A [1,0,1,0,0,0|1,0,0]=3 64 B2R0.1 O[Ca]O HY-B2217 [1,0,1,0,0,0|2,0,0]=4 65 B2R0.1 O[Ca]O HY-B2217D [1,0,1,0,0,0|2,0,0]=4 66 B2R0.1 O[Mg]O HY-B2218D [1,0,1,0,0,0|2,0,0]=4 67 B4R0.1 CC(=O)CO HY-Y1366 [0,1,1,0,0,0|0,0,1]=3 68 B4R0.1 CC(=O)NO HY-B1235 [0,1,1,0,0,0|1,0,1]=4 69 B4R0.1 CC(=O)O[K] HY-Y0319B [0,1,1,0,0,0|1,0,1]=4 70 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,1,1,0,0,0|1,0,1]=4 71 B4R0.1 CC(C)=NO HY-W008840 [0,1,1,0,0,0|1,0,1]=4 72 B4R0.1 CC(O)CN HY-W015969 [0,1,1,0,0,0|1,0,0]=3 73 B4R0.1 CC(O)CO HY-Y0921 [0,1,1,0,0,0|0,0,0]=2 74 B4R0.1 CC[C@@H](C)O HY-W087952 [0,1,1,0,0,0|0,0,0]=2 75 B4R0.1 COC(N)=O HY-Y1401 [0,1,1,0,0,0|1,0,1]=4 76 B4R0.1 C[C@@H](N)CO HY-W010646 [0,1,1,0,0,0|0,0,0]=2 77 B4R0.1 C[C@@H](O)CN HY-W002295 [0,1,1,0,0,0|1,0,0]=3 78 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,1,1,0,0,0|0,0,0]=2 79 B4R0.1 NCC(=O)O HY-Y0966 [0,1,1,0,0,0|1,0,1]=4 80 B4R0.1 NCC(=O)O HY-Y0966R [0,1,1,0,0,0|1,0,1]=4 81 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,1,1,0,0,0|1,0,1]=4 82 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,1,1,0,0,0|1,0,1]=4 83 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,1,1,0,0,0|1,0,1]=4 84 B4R0.1 O=C(O)CO HY-W015967 [0,1,1,0,0,0|1,0,1]=4 85 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,1,1,0,0,0|1,0,1]=4 86 B4R0.2 BrCCCBr HY-Y1806 [0,1,1,0,0,0|1,0,0]=3 87 B4R0.2 C#CCCO HY-W001947 [0,1,1,0,0,0|0,0,1]=3 88 B4R0.2 C=CCCN HY-W019321 [0,1,1,0,0,0|1,0,1]=4 89 B4R0.2 C=CCSC HY-128447 [0,1,1,0,0,0|0,1,1]=4 90 B4R0.2 CNCCO HY-Y1783 [0,1,1,0,0,0|0,0,0]=2 91 B4R0.2 COCCO HY-139415 [0,1,1,0,0,0|0,0,0]=2 92 B4R0.2 CSSSC HY-128454 [0,1,1,0,0,0|1,1,0]=4 93 B4R0.2 NCCCO HY-Y0139 [0,1,1,0,0,0|0,0,0]=2 94 B4R0.2 O=CCCO HY-N8461 [0,1,1,0,0,0|0,0,1]=3 95 B4R0.2 OCCCBr HY-W007337 [0,1,1,0,0,0|0,0,0]=2 96 B4R0.2 OCCCO HY-W017758 [0,1,1,0,0,0|0,0,0]=2 97 B4R0.2 OCCCS HY-W090210 [0,1,1,0,0,0|0,0,0]=2 98 B4R0.3 CN(C)(C)=O HY-116084 [0,1,1,0,0,0|1,0,1]=4 99 B4R0.3 CS(C)(=O)=O HY-Y1314 [0,1,1,0,0,0|1,0,1]=4 100 B4R0.3 C[N+](C)(C)C HY-W014861 [0,1,1,0,0,0|2,0,0]=4 101 B4R0.3 C[N+](C)(C)C HY-W040184 [0,1,1,0,0,0|2,0,0]=4 102 B4R0.3 C[N+](C)(C)C HY-W095635 [0,1,1,0,0,0|2,0,0]=4 103 B4R0.3 C[N+](C)(C)C HY-W127672 [0,1,1,0,0,0|2,0,0]=4 104 B4R0.3 C[N+](C)(C)C HY-W130431 [0,1,1,0,0,0|2,0,0]=4 105 B4R0.3 C[N+](C)(C)C HY-Y0658 [0,1,1,0,0,0|2,0,0]=4 106 B4R0.3 C[N+](C)(C)[O-] HY-108915 [0,1,1,0,0,0|1,0,1]=4 107 B4R0.3 C[Ti](C)(Cl)Cl HY-106782 [0,1,1,0,0,0|2,0,0]=4 108 B6R1.6 OCC1CNC1 HY-21336 [0,1,0,0,0,1|1,0,0]=3 109 B6R1.6 OCC1COC1 HY-W004925 [0,1,0,0,0,1|0,0,0]=2 110 B6R1.10 CC1(O)CNC1 HY-59333 [0,1,0,0,0,1|1,0,0]=3 111 B6R1.10 FC1(F)CNC1 HY-W001214 [0,1,0,0,0,1|2,0,0]=4 112 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,2,0,0,0,0|0,0,0]=2 113 B6R1.11 NC(=O)C1CO1 HY-119329 [0,2,0,0,0,0|0,0,1]=3 114 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,2,0,0,0,0|1,0,1]=4 115 B6R1.11 OB(O)C1CC1 HY-59219 [0,2,0,0,0,0|2,0,0]=4 116 B4R1.1 C1CNC1 HY-W010628 [0,0,1,1,0,0|1,0,0]=3 117 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,0,0,2|2,0,0]=4 118 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,0,0,2|2,0,0]=4 119 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,0,0,2|1,0,1]=4 120 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,0,0,2|1,0,1]=4 121 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,0,0,2|1,0,0]=3