0 B4R0.2 BrCCCBr HY-Y1806 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCO HY-W001947 [0,0,0,0,0,0|1,1,1]=3 2 B4R0.2 C=CCCN HY-W019321 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C=CCSC HY-128447 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CNCCO HY-Y1783 [0,0,0,0,0,0|2,1,0]=3 5 B4R0.2 COCCO HY-139415 [0,0,0,0,0,0|2,1,0]=3 6 B4R0.2 NCCCO HY-Y0139 [0,0,0,0,0,0|1,1,0]=2 7 B4R0.2 O=CCCO HY-N8461 [0,0,0,0,0,0|0,2,1]=3 8 B4R0.2 OCCCBr HY-W007337 [0,0,0,0,0,0|1,1,0]=2 9 B4R0.2 OCCCO HY-W017758 [0,0,0,0,0,0|0,2,0]=2 10 B4R0.2 OCCCS HY-W090210 [0,0,0,0,0,0|0,1,0]=1 11 B3R0.1 CNNC HY-W460407 [1,0,0,0,0,0|3,0,0]=4 12 B3R0.1 CNOC HY-41074 [1,0,0,0,0,0|3,0,0]=4 13 B3R0.1 NCCO HY-W035903 [1,0,0,0,0,0|1,1,0]=3 14 B3R0.1 NCCS HY-77591 [1,0,0,0,0,0|1,0,0]=2 15 B3R0.1 O=[13CH]CO HY-146995S [1,0,0,0,0,0|0,2,1]=4 16 B3R0.1 OCCO HY-Y0338 [1,0,0,0,0,0|0,2,0]=3 17 B3R0.1 OCCO HY-Y0873A [1,0,0,0,0,0|0,2,0]=3 18 B3R0.1 OCCO HY-Y0873A1 [1,0,0,0,0,0|0,2,0]=3 19 B3R0.1 OCCO HY-Y0873B [1,0,0,0,0,0|0,2,0]=3 20 B3R0.1 OCCO HY-Y0873C [1,0,0,0,0,0|0,2,0]=3 21 B3R0.1 OCCO HY-Y0873E [1,0,0,0,0,0|0,2,0]=3 22 B3R0.1 OCCO HY-Y0873F [1,0,0,0,0,0|0,2,0]=3 23 B3R0.1 OCCO HY-Y0873G [1,0,0,0,0,0|0,2,0]=3 24 B3R0.1 OCCO HY-Y0873H [1,0,0,0,0,0|0,2,0]=3 25 B3R0.1 OCCO HY-Y0873I [1,0,0,0,0,0|0,2,0]=3 26 B3R0.1 OCCO HY-Y0873J [1,0,0,0,0,0|0,2,0]=3 27 B3R0.1 OCCO HY-Y0873K [1,0,0,0,0,0|0,2,0]=3 28 B3R0.1 OCCO HY-Y0873L [1,0,0,0,0,0|0,2,0]=3 29 B3R0.1 OCCO HY-Y0873M [1,0,0,0,0,0|0,2,0]=3 30 B3R0.1 OCCO HY-Y0873N [1,0,0,0,0,0|0,2,0]=3 31 B3R0.1 OCCO HY-Y0873O [1,0,0,0,0,0|0,2,0]=3 32 B3R0.1 OCCO HY-Y0873P [1,0,0,0,0,0|0,2,0]=3 33 B3R0.1 OCCO HY-Y0873Q [1,0,0,0,0,0|0,2,0]=3 34 B5R0.1 CC(=O)CCO HY-W051287 [0,1,0,0,0,0|0,2,1]=4 35 B5R0.1 CC(N)CC#N HY-W018936 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(O)CCO HY-77490A [0,1,0,0,0,0|0,2,0]=3 37 B5R0.1 CCCB(O)O HY-W007470 [0,1,0,0,0,0|2,1,0]=4 38 B5R0.1 CCCC(N)=O HY-W088319 [0,1,0,0,0,0|1,1,1]=4 39 B5R0.1 C[C@@H](O)CCO HY-77490 [0,1,0,0,0,0|0,2,0]=3 40 B5R0.1 NCCC(=O)O HY-N0230 [0,1,0,0,0,0|1,1,1]=4 41 B5R0.1 NCCS(=O)O HY-100803 [0,1,0,0,0,0|2,1,0]=4 42 B5R0.2 C#CCCCO HY-W010642 [0,1,0,0,0,0|1,1,0]=3 43 B5R0.2 CCCSSC HY-N7436 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.2 CCSCCCl HY-W199190 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.2 CC\C=C/CO HY-W030347 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.2 NCCCCO HY-W002041 [0,1,0,0,0,0|1,1,0]=3 47 B5R0.2 OC\C=C/CO HY-W027631 [0,1,0,0,0,0|0,2,1]=4 48 B5R0.2 [2H]OCCO[2H] HY-Y0338S [0,1,0,0,0,0|2,1,0]=4 49 B5R0.2 [N-]=[N+]=NCCO HY-138461 [0,1,0,0,0,0|2,1,0]=4 50 B5R0.3 CCC(=O)CO HY-W005327 [0,1,0,0,0,0|1,1,1]=4 51 B5R0.3 CCC(C)C=O HY-W020678 [0,1,0,0,0,0|1,1,1]=4 52 B5R0.3 NCC(O)CO HY-W002040 [0,1,0,0,0,0|1,1,0]=3 53 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.3 O=C(CO)CO HY-Y0335 [0,1,0,0,0,0|0,2,1]=4 55 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.3 O=CC(O)CO HY-128748 [0,1,0,0,0,0|0,2,1]=4 57 B5R0.3 O=C[C@@H](O)CO HY-W008504 [0,1,0,0,0,0|0,2,1]=4 58 B5R0.3 OC(CBr)CBr HY-W014092 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.3 OCC(O)CO HY-B1659 [0,1,0,0,0,0|0,2,0]=3 60 B5R0.3 OCC(O)CO HY-B1659R [0,1,0,0,0,0|0,2,0]=3 61 B5R0.3 OCC(S)CS HY-B1285 [0,1,0,0,0,0|0,1,0]=2 62 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,1,0,0|3,0,0]=4 63 B5R1.2 IC1COC1 HY-W016306 [0,0,0,1,0,0|3,0,0]=4 64 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,1,0,0|0,2,1]=4 65 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,1,0,0|1,1,0]=3 66 B5R1.2 OC1CNC1 HY-40144 [0,0,0,1,0,0|2,1,0]=4 67 B5R1.3 BrCC1CC1 HY-Y1100 [0,0,0,1,0,0|2,0,0]=3 68 B5R1.3 OCC1CO1 HY-Y1010 [0,0,0,1,0,0|0,2,0]=3 69 B2R0.1 CON HY-Y0958 [2,0,0,0,0,0|2,0,0]=4 70 B2R0.1 C[Cu]C HY-Y1102A [2,0,0,0,0,0|1,0,0]=3 71 B2R0.1 C[Pd]C HY-W002072 [2,0,0,0,0,0|1,0,0]=3 72 B2R0.1 C[Zn]C HY-B1817 [2,0,0,0,0,0|1,0,0]=3 73 B2R0.1 C[Zn]C HY-B1817A [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 CC(=O)CO HY-Y1366 [1,1,0,0,0,0|0,1,1]=4 75 B4R0.1 CC(O)CN HY-W015969 [1,1,0,0,0,0|1,0,0]=3 76 B4R0.1 CC(O)CO HY-Y0921 [1,1,0,0,0,0|0,1,0]=3 77 B4R0.1 CC[C@@H](C)O HY-W087952 [1,1,0,0,0,0|0,1,0]=3 78 B4R0.1 C[C@@H](N)CO HY-W010646 [1,1,0,0,0,0|0,1,0]=3 79 B4R0.1 C[C@@H](O)CN HY-W002295 [1,1,0,0,0,0|1,0,0]=3 80 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,1,0,0,0,0|0,1,0]=3 81 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,2,0,0,0,0|1,1,0]=4 82 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,2,0,0,0,0|0,1,1]=4 83 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,2,0,0,0,0|0,1,1]=4 84 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,2,0,0,0,0|0,1,1]=4 85 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,2,0,0,0,0|0,1,1]=4 86 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,2,0,0,0,0|0,1,1]=4 87 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,2,0,0,0,0|0,1,1]=4 88 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,2,0,0,0,0|0,1,1]=4 89 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,2,0,0,0,0|0,1,1]=4 90 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,2,0,0,0,0|0,1,1]=4 91 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,2,0,0,0,0|0,1,1]=4 92 B6R0.4 CC(C)CCCO HY-W007511 [0,2,0,0,0,0|1,1,0]=4 93 B6R0.4 CCCCB(O)O HY-W000932 [0,2,0,0,0,0|1,1,0]=4 94 B6R0.4 CCCCC(N)=O HY-W144037 [0,2,0,0,0,0|1,1,0]=4 95 B6R0.4 CN(C)CCCCl HY-W018789 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.4 CSCCC(=O)O HY-101401 [0,2,0,0,0,0|0,1,1]=4 97 B6R0.4 NCCCC(=O)O HY-N0067 [0,2,0,0,0,0|1,1,0]=4 98 B6R0.4 NCCCC(=O)O HY-N0067R [0,2,0,0,0,0|1,1,0]=4 99 B6R0.5 CC(C)(C)CCO HY-W012977 [0,2,0,0,0,0|1,1,0]=4 100 B6R0.5 NCCS(=O)(=O)S HY-N15156 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.6 BrCCOCCBr HY-W013458 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.6 C#CCOCCN HY-116069 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.6 C#CCOCCO HY-43614 [0,2,0,0,0,0|1,1,0]=4 104 B6R0.6 C(CO)=CCCC HY-W015936 [0,2,0,0,0,0|1,1,0]=4 105 B6R0.6 C=CCCCCO HY-W012995 [0,2,0,0,0,0|1,1,0]=4 106 B6R0.6 CCCCCCO HY-W032022 [0,2,0,0,0,0|1,1,0]=4 107 B6R0.6 CC\C=C/CCO HY-W010607 [0,2,0,0,0,0|1,1,0]=4 108 B6R0.6 ClCCNCCCl HY-Y0881 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.6 NCCCCCN HY-W016750 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.6 NCCCCCO HY-W012971 [0,2,0,0,0,0|1,1,0]=4 111 B6R0.6 NCCOCCN HY-140208 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.6 NCCOCCN HY-140648 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.6 OCCOCCBr HY-141213 [0,2,0,0,0,0|1,1,0]=4 114 B6R0.6 OCCOCCO HY-B1952 [0,2,0,0,0,0|0,2,0]=4 115 B6R0.6 SCCOCCS HY-145485 [0,2,0,0,0,0|0,0,0]=2 116 B6R0.6 [N-]=[N+]=NCCCN HY-151862 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.8 CC(N)(CO)CO HY-W017054 [0,2,0,0,0,0|0,2,0]=4 118 B4R1.1 C1CNC1 HY-W010628 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.2 CN1CCCC1 HY-128383 [0,1,0,1,0,0|2,0,0]=4 120 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.2 N=C1CCCS1 HY-W015798 [0,1,0,1,0,0|1,0,0]=3 122 B6R1.2 O=C1CCSC1 HY-W010594 [0,1,0,1,0,0|0,1,1]=4 123 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,1,0,1,0,0|0,2,0]=4 124 B6R1.2 SC1=NCCN1 HY-W010593 [0,1,0,1,0,0|1,0,1]=4 125 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,1,0,1,0,0|0,2,0]=4 126 B6R1.1 C1CSCCN1 HY-W007359 [0,1,0,1,0,0|1,0,0]=3 127 B6R1.1 C1CSCSC1 HY-W001189 [0,1,0,1,0,0|0,0,0]=2 128 B6R1.6 OCC1CNC1 HY-21336 [0,1,0,1,0,0|1,1,0]=4 129 B6R1.6 OCC1COC1 HY-W004925 [0,1,0,1,0,0|0,2,0]=4