0 B4R0.1 C=CC(=O)O HY-W243303A [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C=CC(=O)O HY-W243303C [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 C=CC(=O)O HY-W243303D [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=CC(=O)O HY-W243303E [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 C=CC(=O)O HY-W243303O [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 C=CC(N)=O HY-W115727 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 C=CC(N)=O HY-W115727A [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 C=CC(N)=O HY-W115727B [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 CC(=O)C=O HY-W020014 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(=O)CO HY-Y1366 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(=O)NBr HY-131899 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(=O)O[K] HY-Y0319B [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CC(C)=NO HY-W008840 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CC(O)CN HY-W015969 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 CC(O)CO HY-Y0921 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 CC[C@@H](C)O HY-W087952 [0,0,0,0,0,0|0,0,2]=2 18 B4R0.1 CNC(=N)N HY-W005028 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 COC(N)=O HY-Y1401 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 C[C@@H](N)CO HY-W010646 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 C[C@@H](O)CN HY-W002295 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 N=C(N)NN HY-B1041 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 N=C(N)NN HY-W020772 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 NC(=O)CBr HY-W007330 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 NC(=O)CCl HY-W010629 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 NC(=O)CI HY-34477 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 NC(=O)NO HY-B0313R [0,0,0,0,0,0|3,0,0]=3 30 B4R0.1 NCC(=O)O HY-Y0966 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 NCC(=O)O HY-Y0966R [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 NCC(N)=O HY-Y1123 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 NNC(N)=O HY-Y0470 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 NNC(N)=S HY-Y0032 [0,0,0,0,0,0|3,1,0]=4 36 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.1 O=C(O)CO HY-W015967 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.1 O=C(O)[Ba]O HY-Y0827 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.1 O=C(O)[Ca]O HY-W243408C [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 O=C([Zn])OO HY-B1818 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 O=CC(=O)O HY-79494 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 O=C[Pb](=O)O HY-Y1877 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 O=P(=O)OO HY-B2243 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.1 O=P(=O)OO HY-B2243A [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 O=P(=O)OO HY-B2243B [0,0,0,0,0,0|4,0,0]=4 47 B4R0.1 O=P(=O)OO HY-B2243D [0,0,0,0,0,0|4,0,0]=4 48 B4R0.1 O=P(=O)OO HY-W094497 [0,0,0,0,0,0|4,0,0]=4 49 B4R0.1 O=P(=O)OO HY-Y0332B [0,0,0,0,0,0|4,0,0]=4 50 B4R0.1 O=P(=O)OO HY-Y0332K [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 O=S=S(=O)=O HY-108775A [0,0,0,0,0,0|4,0,0]=4 52 B4R0.1 O=[13C](O)O[Na] HY-W251598S [0,0,0,0,0,0|3,0,0]=3 53 B4R0.1 O=[N+]([O-])CBr HY-131120 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [0,0,0,0,0,0|3,1,0]=4 55 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,0,0,0,0,0|2,0,0]=2 56 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [0,0,0,0,0,0|3,0,0]=3 57 B3R0.1 C(=O)ON HY-Y0488A [1,0,0,0,0,0|2,0,0]=3 58 B3R0.1 CNNC HY-W460407 [1,0,0,0,0,0|2,0,0]=3 59 B3R0.1 CNOC HY-41074 [1,0,0,0,0,0|2,0,0]=3 60 B3R0.1 NCCO HY-W035903 [1,0,0,0,0,0|1,0,2]=4 61 B3R0.1 NCCS HY-77591 [1,0,0,0,0,0|1,1,1]=4 62 B3R0.1 O=[13CH]CO HY-146995S [1,0,0,0,0,0|1,0,0]=2 63 B3R0.1 OCCO HY-Y0338 [1,0,0,0,0,0|1,0,2]=4 64 B3R0.1 OCCO HY-Y0873A [1,0,0,0,0,0|1,0,2]=4 65 B3R0.1 OCCO HY-Y0873A1 [1,0,0,0,0,0|1,0,2]=4 66 B3R0.1 OCCO HY-Y0873B [1,0,0,0,0,0|1,0,2]=4 67 B3R0.1 OCCO HY-Y0873C [1,0,0,0,0,0|1,0,2]=4 68 B3R0.1 OCCO HY-Y0873E [1,0,0,0,0,0|1,0,2]=4 69 B3R0.1 OCCO HY-Y0873F [1,0,0,0,0,0|1,0,2]=4 70 B3R0.1 OCCO HY-Y0873G [1,0,0,0,0,0|1,0,2]=4 71 B3R0.1 OCCO HY-Y0873H [1,0,0,0,0,0|1,0,2]=4 72 B3R0.1 OCCO HY-Y0873I [1,0,0,0,0,0|1,0,2]=4 73 B3R0.1 OCCO HY-Y0873J [1,0,0,0,0,0|1,0,2]=4 74 B3R0.1 OCCO HY-Y0873K [1,0,0,0,0,0|1,0,2]=4 75 B3R0.1 OCCO HY-Y0873L [1,0,0,0,0,0|1,0,2]=4 76 B3R0.1 OCCO HY-Y0873M [1,0,0,0,0,0|1,0,2]=4 77 B3R0.1 OCCO HY-Y0873N [1,0,0,0,0,0|1,0,2]=4 78 B3R0.1 OCCO HY-Y0873O [1,0,0,0,0,0|1,0,2]=4 79 B3R0.1 OCCO HY-Y0873P [1,0,0,0,0,0|1,0,2]=4 80 B3R0.1 OCCO HY-Y0873Q [1,0,0,0,0,0|1,0,2]=4 81 B3R0.2 CB(O)O HY-34449 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.2 CC(=O)O HY-13443A [1,0,0,0,0,0|1,0,0]=2 83 B3R0.2 CC(=O)O HY-75153 [1,0,0,0,0,0|1,0,0]=2 84 B3R0.2 CC(=O)O HY-P0052A [1,0,0,0,0,0|1,0,0]=2 85 B3R0.2 CC(=O)O HY-W094353 [1,0,0,0,0,0|1,0,0]=2 86 B3R0.2 CC(=O)O HY-Y0849C [1,0,0,0,0,0|1,0,0]=2 87 B3R0.2 CC(C)[O-] HY-133023 [1,0,0,0,0,0|0,0,2]=3 88 B3R0.2 CC(N)=O HY-Y0946 [1,0,0,0,0,0|1,0,0]=2 89 B3R0.2 CC(N)=S HY-Y0698 [1,0,0,0,0,0|1,1,0]=3 90 B3R0.2 CN(C)C HY-Y0504 [1,0,0,0,0,0|2,0,0]=3 91 B3R0.2 CN(C)C HY-Y0504R [1,0,0,0,0,0|2,0,0]=3 92 B3R0.2 CS(C)=O HY-Y0320R [1,0,0,0,0,0|1,0,0]=2 93 B3R0.2 C[13C](=O)O HY-W772341 [1,0,0,0,0,0|1,0,0]=2 94 B3R0.2 C[Cr](C)C HY-D1163 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.2 N=C(N)N HY-B0178A [1,0,0,0,0,0|3,0,0]=4 96 B3R0.2 N=C(N)N HY-D0841 [1,0,0,0,0,0|3,0,0]=4 97 B3R0.2 NC(N)=O HY-Y0271 [1,0,0,0,0,0|2,0,0]=3 98 B3R0.2 NC(N)=O HY-Y0271R [1,0,0,0,0,0|2,0,0]=3 99 B3R0.2 N[13C](N)=O HY-118877 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.2 O=[13C]([O-])O HY-Y0287AS [1,0,0,0,0,0|2,0,0]=3 101 B3R0.2 O=[N+]([O-])[Ag] HY-W034067 [1,0,0,0,0,0|3,0,0]=4 102 B3R0.2 O=[Si]([O-])[O-] HY-B2205 [1,0,0,0,0,0|2,1,0]=4 103 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [1,0,0,0,0,0|2,0,0]=3 105 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.1 C#CCC(=O)O HY-W004784 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.1 C=CCC(=O)O HY-W068697 [0,1,0,0,0,0|1,0,1]=3 108 B5R0.1 CC(=O)CCO HY-W051287 [0,1,0,0,0,0|0,0,0]=1 109 B5R0.1 CC(=O)NCO HY-W024564 [0,1,0,0,0,0|1,0,0]=2 110 B5R0.1 CC(C)=CC=O HY-34409 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 CC(C)=CCO HY-W013035 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 CC(N)CC#N HY-W018936 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.1 CC(O)CCO HY-77490A [0,1,0,0,0,0|0,0,2]=3 114 B5R0.1 CCCB(O)O HY-W007470 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.1 CCCC(N)=O HY-W088319 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.1 CCOC(N)=O HY-B1207R [0,1,0,0,0,0|1,0,0]=2 118 B5R0.1 CCSC(=N)N HY-101252 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.1 CN(C)CC=O HY-100061A [0,1,0,0,0,0|2,0,1]=4 120 B5R0.1 CNCC(=O)O HY-101037 [0,1,0,0,0,0|1,0,0]=2 121 B5R0.1 CNCC(=O)O HY-101037R [0,1,0,0,0,0|1,0,0]=2 122 B5R0.1 COCC(=O)O HY-Y1009 [0,1,0,0,0,0|1,0,0]=2 123 B5R0.1 C[C@@H](O)CCO HY-77490 [0,1,0,0,0,0|0,0,2]=3 124 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,1,0,0,0,0|1,0,1]=3 125 B5R0.1 NCCC(=O)O HY-N0230 [0,1,0,0,0,0|1,0,0]=2 126 B5R0.1 NCCS(=O)O HY-100803 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.1 NOCC(=O)O HY-107994 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.3 CCC(=O)CO HY-W005327 [0,1,0,0,0,0|0,0,0]=1 129 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 CCC(C)C=O HY-W020678 [0,1,0,0,0,0|0,0,1]=2 131 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,1,0,0,0,0|1,0,0]=2 132 B5R0.3 CNC(=S)NC HY-W027951 [0,1,0,0,0,0|1,1,0]=3 133 B5R0.3 COC(=O)CN HY-Y1789 [0,1,0,0,0,0|1,0,0]=2 134 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.3 NCC(O)CO HY-W002040 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,1,0,0,0,0|1,0,2]=4 137 B5R0.3 O=C(CI)O[Na] HY-D0849 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.3 O=C(CO)CO HY-Y0335 [0,1,0,0,0,0|1,0,0]=2 139 B5R0.3 O=C(CO)O[Na] HY-W088011B [0,1,0,0,0,0|2,0,0]=3 140 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.3 O=CC(O)CO HY-128748 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.3 O=C[C@@H](O)CO HY-W008504 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.3 OC(CBr)CBr HY-W014092 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.3 OCC(O)CO HY-B1659 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.3 OCC(O)CO HY-B1659R [0,1,0,0,0,0|1,0,2]=4 146 B5R0.3 OCC(S)CS HY-B1285 [0,1,0,0,0,0|1,1,1]=4 147 B5R0.4 CC(C)(N)CO HY-W013027 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.4 CC(C)(N)CO HY-W013027A [0,1,0,0,0,0|2,0,1]=4 149 B5R0.4 CC(C)(O)CN HY-33948 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.4 CC[N+](C)(C)C HY-W101257 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.4 COS(C)(=O)=O HY-W004702 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.4 COS(C)(=O)=O HY-W004702R [0,1,0,0,0,0|2,0,0]=3 153 B5R0.4 CO[Si](C)(C)C HY-104035E [0,1,0,0,0,0|2,1,0]=4 154 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,1,0,0,0,0|1,0,1]=3 155 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,1,0,0,0,0|1,0,1]=3 157 B5R0.5 CC(=O)N(C)C HY-W042416 [0,1,0,0,0,0|1,0,0]=2 158 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,1,0,0,0,0|1,0,1]=3 159 B5R0.5 CC(N)C(=O)O HY-N2362 [0,1,0,0,0,0|1,0,0]=2 160 B5R0.5 CC(O)C(=O)O HY-B1530 [0,1,0,0,0,0|1,0,0]=2 161 B5R0.5 CC(O)C(=O)O HY-B2227 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.5 CC(O)C(=O)O HY-B2227D [0,1,0,0,0,0|1,0,0]=2 163 B5R0.5 CC(O)C(=O)O HY-B2227R [0,1,0,0,0,0|1,0,0]=2 164 B5R0.5 CC(O)C(=O)O HY-W250313 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,1,0,0,0,0|1,0,0]=2 166 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,1,0,0,0,0|1,0,0]=2 167 B5R0.5 CC(O)C(C)O HY-128387 [0,1,0,0,0,0|0,0,2]=3 168 B5R0.5 CC(O)C(C)O HY-128387R [0,1,0,0,0,0|0,0,2]=3 169 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,1,0,0,0,0|0,0,2]=3 170 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,1,0,0,0,0|1,0,0]=2 171 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,1,0,0,0,0|1,0,0]=2 172 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,1,0,0,0,0|1,0,0]=2 173 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,1,0,0,0,0|2,0,1]=4 178 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.5 O=C(O)C(O)O HY-W019724 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,1,0,0,0,0|3,0,0]=4 182 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,1,0,0,0,0|1,0,0]=2 183 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,1,0,0|2,0,1]=4 184 B5R1.2 IC1COC1 HY-W016306 [0,0,0,1,0,0|2,0,1]=4 185 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,1,0,0|1,0,0]=2 186 B5R1.2 O=C1COC1 HY-76440 [0,0,0,1,0,0|1,0,0]=2 187 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,1,0,0|0,0,2]=3 188 B5R1.2 OC1CNC1 HY-40144 [0,0,0,1,0,0|1,0,2]=4 189 B5R1.3 BrCC1CC1 HY-Y1100 [0,0,0,1,0,0|2,0,1]=4 190 B5R1.3 OCC1CO1 HY-Y1010 [0,0,0,1,0,0|1,0,2]=4 191 B2R0.1 C=CCl HY-W687022A [2,0,0,0,0,0|1,0,1]=4 192 B2R0.1 C=CO HY-Y0850 [2,0,0,0,0,0|0,0,2]=4 193 B2R0.1 C=CO HY-Y0850E [2,0,0,0,0,0|0,0,2]=4 194 B2R0.1 C=CO HY-Y0850H [2,0,0,0,0,0|0,0,2]=4 195 B2R0.1 C=CO HY-Y0850I [2,0,0,0,0,0|0,0,2]=4 196 B2R0.1 C=CO HY-Y0850J [2,0,0,0,0,0|0,0,2]=4 197 B2R0.1 C=CO HY-Y0850K [2,0,0,0,0,0|0,0,2]=4 198 B2R0.1 C=CO HY-Y0850N [2,0,0,0,0,0|0,0,2]=4 199 B2R0.1 C=CO HY-Y0850P [2,0,0,0,0,0|0,0,2]=4 200 B2R0.1 C=CO HY-Y0850U6 [2,0,0,0,0,0|0,0,2]=4 201 B2R0.1 CON HY-Y0958 [2,0,0,0,0,0|2,0,0]=4 202 B2R0.1 C[Cu]C HY-Y1102A [2,0,0,0,0,0|1,0,0]=3 203 B2R0.1 C[Pd]C HY-W002072 [2,0,0,0,0,0|1,0,0]=3 204 B2R0.1 C[Zn]C HY-B1817 [2,0,0,0,0,0|1,0,0]=3 205 B2R0.1 C[Zn]C HY-B1817A [2,0,0,0,0,0|1,0,0]=3 206 B2R0.1 NC=O HY-Y0842 [2,0,0,0,0,0|1,0,0]=3 207 B2R0.1 NC=O HY-Y0842B [2,0,0,0,0,0|1,0,0]=3 208 B2R0.1 O=[Ti]=O HY-W051271 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.2 BrCCCBr HY-Y1806 [1,1,0,0,0,0|1,0,1]=4 210 B4R0.2 C#CCCO HY-W001947 [1,1,0,0,0,0|0,0,2]=4 211 B4R0.2 C=CCCN HY-W019321 [1,1,0,0,0,0|0,0,1]=3 212 B4R0.2 C=CCSC HY-128447 [1,1,0,0,0,0|0,0,1]=3 213 B4R0.2 CNCCO HY-Y1783 [1,1,0,0,0,0|1,0,0]=3 214 B4R0.2 COCCO HY-139415 [1,1,0,0,0,0|1,0,0]=3 215 B4R0.2 CSSSC HY-128454 [1,1,0,0,0,0|2,0,0]=4 216 B4R0.2 NCCCO HY-Y0139 [1,1,0,0,0,0|0,0,2]=4 217 B4R0.2 O=CCCO HY-N8461 [1,1,0,0,0,0|0,0,0]=2 218 B4R0.2 O=COO[K] HY-Y1220D [1,1,0,0,0,0|2,0,0]=4 219 B4R0.2 O=COO[K] HY-Y1220J [1,1,0,0,0,0|2,0,0]=4 220 B4R0.2 O=COO[Na] HY-ER013C [1,1,0,0,0,0|2,0,0]=4 221 B4R0.2 O=COO[Na] HY-W251598B [1,1,0,0,0,0|2,0,0]=4 222 B4R0.2 O=COO[Na] HY-W251598C [1,1,0,0,0,0|2,0,0]=4 223 B4R0.2 OCCCBr HY-W007337 [1,1,0,0,0,0|0,0,2]=4 224 B4R0.2 OCCCO HY-W017758 [1,1,0,0,0,0|0,0,2]=4 225 B4R0.2 OCCCS HY-W090210 [1,1,0,0,0,0|0,0,2]=4 226 B4R0.3 CN(C)(C)=O HY-116084 [1,1,0,0,0,0|1,0,0]=3 227 B4R0.3 CS(C)(=O)=O HY-Y1314 [1,1,0,0,0,0|1,0,0]=3 228 B4R0.3 CS(N)(=O)=O HY-Y0995 [1,1,0,0,0,0|2,0,0]=4 229 B4R0.3 C[N+](C)(C)C HY-W014861 [1,1,0,0,0,0|2,0,0]=4 230 B4R0.3 C[N+](C)(C)C HY-W040184 [1,1,0,0,0,0|2,0,0]=4 231 B4R0.3 C[N+](C)(C)C HY-W095635 [1,1,0,0,0,0|2,0,0]=4 232 B4R0.3 C[N+](C)(C)C HY-W127672 [1,1,0,0,0,0|2,0,0]=4 233 B4R0.3 C[N+](C)(C)C HY-W130431 [1,1,0,0,0,0|2,0,0]=4 234 B4R0.3 C[N+](C)(C)C HY-Y0658 [1,1,0,0,0,0|2,0,0]=4 235 B4R0.3 C[N+](C)(C)[O-] HY-108915 [1,1,0,0,0,0|1,0,1]=4 236 B4R0.3 C[Ti](C)(Cl)Cl HY-106782 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.1 C=CCC(=O)OC HY-W105369 [0,2,0,0,0,0|0,0,1]=3 238 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,2,0,0,0,0|1,0,0]=3 239 B6R0.1 CCOC(=O)CN HY-76204 [0,2,0,0,0,0|0,0,0]=2 240 B6R0.1 COC(=O)CCN HY-W007648 [0,2,0,0,0,0|0,0,0]=2 241 B6R0.1 COC(=O)CCO HY-42569 [0,2,0,0,0,0|0,0,0]=2 242 B6R0.1 COC(=O)OCCl HY-43384 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.1 N#CCC(=O)NN HY-B0994 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,2,0,0,0,0|1,0,0]=3 245 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,2,0,0,0,0|0,0,1]=3 246 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.2 CC(C)SC(=N)N HY-101304 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.2 CC(N)CN(C)C HY-32007 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.2 CC(N)CN(C)C HY-32007A [0,2,0,0,0,0|1,0,1]=4 253 B6R0.2 CC(O)CC(=O)O HY-113378 [0,2,0,0,0,0|1,0,0]=3 254 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,2,0,0,0,0|1,0,0]=3 257 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,2,0,0,0,0|0,0,1]=3 262 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,2,0,0,0,0|0,0,1]=3 263 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,2,0,0,0,0|1,0,0]=3 264 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,2,0,0,0,0|1,0,1]=4 265 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,2,0,0,0,0|1,0,0]=3 268 B6R0.3 CC(CO)C(=O)O HY-113126 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,2,0,0,0,0|1,0,0]=3 270 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,2,0,0,0,0|0,0,1]=3 271 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,2,0,0,0,0|0,0,1]=3 272 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,2,0,0,0,0|0,0,0]=2 273 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.3 CCC(O)C(=O)O HY-113381 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.3 COC(=O)C(C)N HY-W010324 [0,2,0,0,0,0|0,0,0]=2 279 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,2,0,0,0,0|0,0,0]=2 280 B6R0.3 CON(C)C(C)=O HY-W001095 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,2,0,0,0,0|1,0,0]=3 284 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,2,0,0,0,0|1,0,0]=3 286 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,2,0,0,0,0|0,0,1]=3 288 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,2,0,0,0,0|1,0,0]=3 289 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,2,0,0,0,0|1,0,0]=3 293 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,2,0,0,0,0|1,0,0]=3 295 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,2,0,0,0,0|1,0,0]=3 296 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,2,0,0,0,0|1,0,0]=3 299 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,2,0,0,0,0|1,0,0]=3 302 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,2,0,0,0,0|1,0,0]=3 304 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,2,0,0,0,0|1,0,0]=3 305 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,2,0,0,0,0|1,0,0]=3 308 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,2,0,0,0,0|1,0,0]=3 309 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,2,0,0,0,0|2,0,0]=4 314 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,2,0,0,0,0|0,0,0]=2 317 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.4 CC(C)CCCO HY-W007511 [0,2,0,0,0,0|1,0,1]=4 323 B6R0.4 CCCCC(N)=O HY-W144037 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.4 CCNCC(=O)O HY-W141879 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.4 CCOCC(=O)O HY-W027555 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.4 CN(C)CCCCl HY-W018789 [0,2,0,0,0,0|2,0,0]=4 328 B6R0.4 CSCCC(=O)O HY-101401 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.4 N=C(N)SCCN HY-131929 [0,2,0,0,0,0|2,0,0]=4 331 B6R0.4 NCCCC(=O)O HY-N0067 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.4 NCCCC(=O)O HY-N0067R [0,2,0,0,0,0|1,0,0]=3 333 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,2,0,0,0,0|1,0,1]=4 334 B6R0.4 O=CNCC(=O)O HY-128735 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [0,2,0,0,0,0|2,0,0]=4 336 B6R0.5 CC(C)(C)CCO HY-W012977 [0,2,0,0,0,0|1,0,1]=4 337 B6R0.5 CCC[N+](C)(C)C HY-W099930 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.5 CCOS(C)(=O)=O HY-W015854 [0,2,0,0,0,0|1,0,0]=3 339 B6R0.5 C[N+](C)(C)CCBr HY-W011972 [0,2,0,0,0,0|2,0,0]=4 340 B6R0.5 C[N+](C)(C)CCCl HY-B1886 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.5 C[N+](C)(C)CCO HY-16074 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,2,0,0,0,0|2,0,0]=4 343 B6R0.5 C[N+](C)(C)CCO HY-B1337R [0,2,0,0,0,0|2,0,0]=4 344 B6R0.5 C[N+](C)(C)CCO HY-W039760 [0,2,0,0,0,0|2,0,0]=4 345 B6R0.5 C[N+](C)(C)CCO HY-W127656 [0,2,0,0,0,0|2,0,0]=4 346 B6R0.5 C[N+](C)(C)CCO HY-Y1242 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.5 C[N+](C)(C)CCO HY-Y1242A [0,2,0,0,0,0|2,0,0]=4 348 B6R0.5 NCCP(=O)(O)O HY-W006371 [0,2,0,0,0,0|2,0,0]=4 349 B6R0.5 NCCS(=O)(=O)O HY-B0351R [0,2,0,0,0,0|2,0,0]=4 350 B6R0.5 NCCS(=O)(=O)S HY-N15156 [0,2,0,0,0,0|2,0,0]=4 351 B6R0.5 O=P(O)(O)CCCl HY-W131845 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.9 CCN(CC)N=O HY-N7434 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,2,0,0,0,0|2,0,0]=4 356 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,2,0,0,0,0|2,0,0]=4 357 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.7 O=C(O)C(F)(F)F HY-W105853 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.7 O=C([O-])C(F)(F)F HY-W007333 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.7 [2H]C([2H])(O)C(=O)O HY-W015967S [0,2,0,0,0,0|2,0,0]=4 362 B6R0.7 [2H]C([2H])([2H])C(N)=O HY-W243217 [0,2,0,0,0,0|2,0,0]=4 363 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,2,0,0,0,0|1,0,0]=3 364 B4R1.1 C1CNC1 HY-W010628 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.2 CN1CCCC1 HY-128383 [0,1,0,1,0,0|2,0,0]=4 366 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,1,0,1,0,0|1,0,1]=4 367 B6R1.2 N=C1CCCS1 HY-W015798 [0,1,0,1,0,0|1,0,0]=3 368 B6R1.2 O=C1C=CCC1 HY-W010643 [0,1,0,1,0,0|0,0,1]=3 369 B6R1.2 O=C1C=CCO1 HY-W008270 [0,1,0,1,0,0|0,0,2]=4 370 B6R1.2 O=C1CCOC1 HY-33900 [0,1,0,1,0,0|0,0,0]=2 371 B6R1.2 O=C1CCSC1 HY-W010594 [0,1,0,1,0,0|0,0,0]=2 372 B6R1.2 O=C1NCCN1 HY-W031536 [0,1,0,1,0,0|1,0,0]=3 373 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,1,0,1,0,0|0,0,2]=4 374 B6R1.2 SC1=NCCN1 HY-W010593 [0,1,0,1,0,0|1,1,0]=4 375 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,1,0,1,0,0|0,0,2]=4 376 B6R1.10 CC1(O)CNC1 HY-59333 [0,1,0,1,0,0|0,0,2]=4 377 B6R1.11 NC(=O)C1CO1 HY-119329 [0,1,0,1,0,0|1,0,0]=3 378 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,1,0,1,0,0|1,0,0]=3