0 B5R0.2 C#CCCCO HY-W010642 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 CCCSSC HY-N7436 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 CCSCCCl HY-W199190 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 CC\C=C\C=O HY-W111375 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.2 NCCCCO HY-W002041 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 [2H]OCCO[2H] HY-Y0338S [0,0,0,0,0,0|3,1,0]=4 6 B4R0.2 BrCCCBr HY-Y1806 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 C#CCCO HY-W001947 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|0,0,1]=2 10 B4R0.2 CNCCO HY-Y1783 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 COCCO HY-139415 [1,0,0,0,0,0|0,1,1]=3 12 B4R0.2 CSSSC HY-128454 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 NCCCO HY-Y0139 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|0,1,0]=2 15 B4R0.2 O=COO[K] HY-Y1220D [1,0,0,0,0,0|2,1,0]=4 16 B4R0.2 O=COO[K] HY-Y1220J [1,0,0,0,0,0|2,1,0]=4 17 B4R0.2 O=COO[Na] HY-ER013C [1,0,0,0,0,0|2,1,0]=4 18 B4R0.2 O=COO[Na] HY-W251598B [1,0,0,0,0,0|2,1,0]=4 19 B4R0.2 O=COO[Na] HY-W251598C [1,0,0,0,0,0|2,1,0]=4 20 B4R0.2 OCCCBr HY-W007337 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 OCCCO HY-W017758 [1,0,0,0,0,0|0,1,2]=4 22 B4R0.2 OCCCS HY-W090210 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.1 C=CCC(=O)OC HY-W105369 [0,1,0,0,0,0|1,1,1]=4 24 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.4 CC(C)CCCO HY-W007511 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.4 CCCCB(O)O HY-W000932 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.4 CCCCC(N)=O HY-W144037 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.4 CCNCC(=O)O HY-W141879 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.4 CCOCC(=O)O HY-W027555 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.4 CN(C)CCCCl HY-W018789 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.4 CSCCC(=O)O HY-101401 [0,1,0,0,0,0|0,0,0]=1 33 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.4 NCCCC(=O)O HY-N0067 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.4 NCCCC(=O)O HY-N0067R [0,1,0,0,0,0|2,0,0]=3 36 B6R0.4 O=CNCC(=O)O HY-128735 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.6 C(CO)=CCCC HY-W015936 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.6 C=CCCCCO HY-W012995 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.6 C=CCSSSC HY-134900 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.6 CCCCCCO HY-W032022 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.6 CCC\C=C\C=O HY-128429 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.6 NCCCCCN HY-W016750 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.6 NCCCCCO HY-W012971 [0,1,0,0,0,0|1,0,2]=4 45 B6R1.1 C1CSCCN1 HY-W007359 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.1 C1CSCSC1 HY-W001189 [0,0,0,1,0,0|0,1,1]=3 47 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|1,0,1]=3 51 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,1,0,0|0,1,0]=2 53 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,1,0,0|0,0,0]=1 54 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,1,0,0|0,1,2]=4 56 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,0,0,1,0,0|0,1,2]=4 57 B6R1.6 OCC1CNC1 HY-21336 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.6 OCC1COC1 HY-W004925 [0,0,0,1,0,0|0,1,2]=4 59 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|1,1,0]=4 60 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|1,1,0]=4 62 B3R0.1 NCCO HY-W035903 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 NCCS HY-77591 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|0,1,0]=3 65 B3R0.1 OCCO HY-Y0338 [2,0,0,0,0,0|0,1,1]=4 66 B3R0.1 OCCO HY-Y0873A [2,0,0,0,0,0|0,1,1]=4 67 B3R0.1 OCCO HY-Y0873A1 [2,0,0,0,0,0|0,1,1]=4 68 B3R0.1 OCCO HY-Y0873B [2,0,0,0,0,0|0,1,1]=4 69 B3R0.1 OCCO HY-Y0873C [2,0,0,0,0,0|0,1,1]=4 70 B3R0.1 OCCO HY-Y0873E [2,0,0,0,0,0|0,1,1]=4 71 B3R0.1 OCCO HY-Y0873F [2,0,0,0,0,0|0,1,1]=4 72 B3R0.1 OCCO HY-Y0873G [2,0,0,0,0,0|0,1,1]=4 73 B3R0.1 OCCO HY-Y0873H [2,0,0,0,0,0|0,1,1]=4 74 B3R0.1 OCCO HY-Y0873I [2,0,0,0,0,0|0,1,1]=4 75 B3R0.1 OCCO HY-Y0873J [2,0,0,0,0,0|0,1,1]=4 76 B3R0.1 OCCO HY-Y0873K [2,0,0,0,0,0|0,1,1]=4 77 B3R0.1 OCCO HY-Y0873L [2,0,0,0,0,0|0,1,1]=4 78 B3R0.1 OCCO HY-Y0873M [2,0,0,0,0,0|0,1,1]=4 79 B3R0.1 OCCO HY-Y0873N [2,0,0,0,0,0|0,1,1]=4 80 B3R0.1 OCCO HY-Y0873O [2,0,0,0,0,0|0,1,1]=4 81 B3R0.1 OCCO HY-Y0873P [2,0,0,0,0,0|0,1,1]=4 82 B3R0.1 OCCO HY-Y0873Q [2,0,0,0,0,0|0,1,1]=4 83 B5R0.1 C#CCC(=O)O HY-W004784 [1,1,0,0,0,0|0,0,2]=4 84 B5R0.1 C=CCC(=O)O HY-W068697 [1,1,0,0,0,0|0,0,2]=4 85 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|0,1,0]=3 86 B5R0.1 CC(=O)NCO HY-W024564 [1,1,0,0,0,0|1,1,0]=4 87 B5R0.1 CC(C)=CC=O HY-34409 [1,1,0,0,0,0|0,0,2]=4 88 B5R0.1 CC(N)CC#N HY-W018936 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CC(O)CCO HY-77490A [1,1,0,0,0,0|0,0,2]=4 90 B5R0.1 CCCB(O)O HY-W007470 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 CCCC(N)=O HY-W088319 [1,1,0,0,0,0|0,0,0]=2 92 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.1 CCOC(N)=O HY-B1207R [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 CCSC(=N)N HY-101252 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.1 CN(C)CC=O HY-100061A [1,1,0,0,0,0|1,0,0]=3 96 B5R0.1 CNCC(=O)O HY-101037 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.1 CNCC(=O)O HY-101037R [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 COCC(=O)O HY-Y1009 [1,1,0,0,0,0|0,1,0]=3 99 B5R0.1 C[C@@H](O)CCO HY-77490 [1,1,0,0,0,0|0,0,2]=4 100 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,1,0,0,0,0|0,0,2]=4 101 B5R0.1 NCCC(=O)O HY-N0230 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.1 NCCS(=O)O HY-100803 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.1 NOCC(=O)O HY-107994 [1,1,0,0,0,0|1,1,0]=4 104 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,0,0]=2 105 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|0,1,0]=3 106 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|0,1,0]=3 107 B5R0.3 OCC(S)CS HY-B1285 [1,1,0,0,0,0|0,0,2]=4 108 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|1,0,0]=3 110 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,2,0,0,0,0|0,1,1]=4 113 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.3 CCCCC(=O)NN HY-W012890 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.3 COC(=O)CCCBr HY-W004701 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.3 COC(=O)CCCN HY-79594 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,2,0,0,0,0|0,0,0]=2 128 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,2,0,0,0,0|0,1,0]=3 129 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,2,0,0,0,0|2,0,0]=4 134 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,2,0,0,0,0|2,0,0]=4 136 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,2,0,0,0,0|2,0,0]=4 138 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,2,0,0,0,0|1,0,1]=4 143 B7R0.4 C#CCNCC(=O)O HY-142035 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.4 NCCCCC(=O)O HY-W015878 [0,2,0,0,0,0|1,0,0]=3 147 B7R0.4 NCCOCC(=O)O HY-140643 [0,2,0,0,0,0|2,0,0]=4 148 B7R0.4 NCCOCC(=O)O HY-140644 [0,2,0,0,0,0|2,0,0]=4 149 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,2,0,0,0,0|1,0,0]=3 151 B7R0.4 O=C(O)COCCBr HY-130163 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.4 O=C(O)COCCS HY-140730 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,2,0,0,0,0|1,0,0]=3 156 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,2,0,0,0,0|1,0,0]=3 157 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,2,0,0,0,0|2,0,0]=4 159 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.1 C=CCSSCC=C HY-W015635 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.1 CSCCCN=C=S HY-121204 [0,2,0,0,0,0|0,1,1]=4 166 B5R1.2 FC1CNC1 HY-W001606 [1,0,0,1,0,0|2,0,0]=4 167 B5R1.2 IC1COC1 HY-W016306 [1,0,0,1,0,0|1,1,0]=4 168 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|0,1,0]=3 169 B5R1.2 O=C1COC1 HY-76440 [1,0,0,1,0,0|0,1,0]=3 170 B5R1.2 OC1CCC1 HY-W013042 [1,0,0,1,0,0|0,0,2]=4 171 B5R1.2 OC1CNC1 HY-40144 [1,0,0,1,0,0|1,0,1]=4 172 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4 173 B5R1.3 OCC1CO1 HY-Y1010 [1,0,0,1,0,0|0,1,1]=4 174 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.3 O=C1CCCCN1 HY-W042193 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.3 O=C1CCCCO1 HY-W012997 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.3 O=C1CCOCC1 HY-76487 [0,1,0,1,0,0|0,1,0]=3 187 B7R1.3 O=C1CCSCC1 HY-W002007 [0,1,0,1,0,0|0,0,0]=2 188 B7R1.3 O=C1CNCCN1 HY-20128 [0,1,0,1,0,0|1,0,0]=3 189 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,1,0,0|1,0,0]=3 190 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.4 CN1SC=CC1=O HY-W010243 [0,1,0,1,0,0|0,0,2]=4 192 B7R1.4 CN1SC=CC1=O HY-W010520 [0,1,0,1,0,0|0,0,2]=4 193 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,1,0,1,0,0|1,1,0]=4 195 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,1,0,1,0,0|1,1,0]=4 196 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|2,0,0]=4 197 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,1,0,1,0,0|1,1,0]=4 198 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [0,1,0,1,0,0|1,1,0]=4 200 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,1,0,1,0,0|1,0,0]=3 201 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,1,0,1,0,0|1,0,0]=3