0 B5R0.3 C#CC(=O)NC CS-0202683 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(=O)O[Na] CS-0620485 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=C(CO)CO CS-W009247 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C=CC(=O)NC CS-0134564 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=CC(=O)O[K] CS-0196459 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 C=CC(O)CO CS-W016675 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 CC(CBr)CBr CS-0154074 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CC(CCl)CBr CS-0204235 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CC(CN)CO CS-0447291 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CC(CO)CBr CS-0139638 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CC(CO)CO CS-0021060 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCC(=O)CBr CS-0131119 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CCC(=O)CN CS-W005374 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.3 CCC(=O)NC CS-0179730 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CCC(=O)NN CS-0206618 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CCC(=O)O[K] CS-0019431 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 CCC(=O)O[Na] CS-0013802 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.3 CCC(Br)CC CS-0015742 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 CCC(N)CC CS-0128806 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 CCC(O)CC CS-0128838 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 CCC(O)CN CS-0109319 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 CCS(=O)CC CS-0199213 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.3 CCS(=O)O[Na] CS-0020098 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 CC[C@H](C)CO CS-0139702 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.3 CNC(=O)CBr CS-0023001 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.3 CNC(=O)CCl CS-W007769 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.3 CNC(=O)CI CS-0244983 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.3 CNC(=O)CN CS-0008246 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.3 CNC(=O)CN CS-0130384 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.3 CNC(C)CO CS-0197105 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.3 CN[C@H](C)CO CS-0162211 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.3 COC(=N)CCl CS-0150960 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.3 COC(=O)CI CS-0235696 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 COC(=O)CN CS-W018508 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.3 COC(=O)CO CS-W004068 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 COC(=O)NN CS-0015902 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.3 COC(=O)SCl CS-0313613 [0,0,0,0,0,0|4,0,0]=4 48 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|1,0,1]=2 52 B5R0.3 NC(CO)CO CS-W011141 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.3 NCC(=O)O[Na] CS-W016662 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.3 NCC(O)CCl CS-W006320 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.3 NCC(O)CN CS-W007600 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.3 NCC(O)CO CS-W002040 [0,0,0,0,0,0|1,0,2]=3 57 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,0,0,0,0,0|1,0,2]=3 60 B5R0.3 NC[C@H](F)CO CS-0053431 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.3 NNC(=O)CCl CS-0199719 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.3 NNC(=O)CO CS-W006527 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.3 NNC(=O)NN CS-0149890 [0,0,0,0,0,0|4,0,0]=4 65 B5R0.3 NNC(=O)NO CS-0328319 [0,0,0,0,0,0|3,0,0]=3 66 B5R0.3 O=C(CBr)CBr CS-W020932 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.3 O=C(CI)O[Na] CS-0014819 [0,0,0,0,0,0|3,0,0]=3 68 B5R0.3 O=C(CO)CO CS-W019614 [0,0,0,0,0,0|0,0,0]=0 69 B5R0.3 O=C(CS)O[Na] CS-0197966 [0,0,0,0,0,0|2,1,0]=3 70 B5R0.3 O=C(OO)[Ag][Ag] CS-0015156 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.3 O=CC(O)CO CS-0102543 [0,0,0,0,0,0|0,0,4]=4 72 B5R0.3 O=S(CO)O[Na] CS-0046582 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.3 OC(CBr)CBr CS-W014808 [0,0,0,0,0,0|2,0,2]=4 74 B5R0.3 OCC(Cl)CO CS-0640889 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.3 OCC(O)CBr CS-W018026 [0,0,0,0,0,0|1,0,2]=3 76 B5R0.3 OCC(O)CO CS-6964 [0,0,0,0,0,0|0,0,2]=2 77 B5R0.3 OCC(O)CS CS-W011288 [0,0,0,0,0,0|0,1,2]=3 78 B5R0.3 OCC(S)CS CS-0013059 [0,0,0,0,0,0|0,2,1]=3 79 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,0,0,0,0,0|1,0,2]=3 80 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,0,0,0,0|1,0,2]=3 81 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,0,0,0,0,0|1,0,2]=3 82 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,0,0,0,0,0|1,0,2]=3 83 B4R0.1 C#CC(N)=O CS-0022393 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 C(=O)C(=O)O CS-0031458 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.1 C=C(Br)CBr CS-0132263 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 C=CC(=O)O CS-0356466 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 C=CC(=O)O CS-0356467 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 C=CC(=O)O CS-0356469 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 C=CC(=O)O CS-0356470 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 C=CC(=O)O CS-0356471 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 C=CC(N)=O CS-0255029 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 C=CC(N)=O CS-0255030 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CC(=O)C=O CS-0031856 [1,0,0,0,0,0|0,0,2]=3 96 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|0,0,0]=1 98 B4R0.1 CC(=O)NBr CS-0142503 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 CC(Br)CO CS-0061061 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 CC(C)CN CS-0154223 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CC(C)CN CS-0214073 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 CC(C)NO CS-W022923 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CC(N)CCl CS-0161780 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 CC(N)CF CS-0107816 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.1 CC(O)CN CS-W016685 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 CC(O)CO CS-0015917 [1,0,0,0,0,0|0,0,2]=3 114 B4R0.1 CCB(O)O CS-W000933 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 CCC(=N)S CS-W016672 [1,0,0,0,0,0|2,1,0]=4 117 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 CS(=O)O[Na] CS-0019422 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.1 C[C@@H](Cl)CO CS-0186126 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.1 C[C@@H](N)CN CS-W018220 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 C[C@@H](N)CO CS-W011362 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.1 C[C@@H](O)CN CS-W002295 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.1 C[C@@H](O)CO CS-W020032 [1,0,0,0,0,0|0,0,2]=3 131 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 C[C@H](N)CO CS-B1303 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 C[C@H](O)CN CS-W019029 [1,0,0,0,0,0|1,0,2]=4 134 B4R0.1 C[C@H](O)CO CS-0011520 [1,0,0,0,0,0|0,0,2]=3 135 B4R0.1 N=C(N)CCl CS-W000829 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 NC(=O)NO CS-2353 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 NNC(N)=O CS-W018530 [1,0,0,0,0,0|3,0,0]=4 146 B4R0.1 O=C(O)[Ba]O CS-0015804 [1,0,0,0,0,0|1,0,0]=2 147 B4R0.1 O=C([Co])OO CS-0111382 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 O=C([Cu])OO CS-0188508 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.1 O=CC(=O)O CS-W019807 [1,0,0,0,0,0|0,0,2]=3 150 B4R0.1 O=C[Pb](=O)O CS-B1715 [1,0,0,0,0,0|1,0,2]=4 151 B4R0.1 O=P(=O)OO CS-0015364 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 O=P(=O)OO CS-0021609 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 O=P(=O)OO CS-0144851 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 O=P(=O)OO CS-0642537 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 O=P(=O)OO CS-0653228 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 O=[Si](O)[Ca]O CS-0144587 [1,0,0,0,0,0|1,1,0]=3 157 B4R0.1 O=[Si](O)[Ca]O CS-0180929 [1,0,0,0,0,0|1,1,0]=3 158 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [1,0,0,0,0,0|1,0,1]=3 160 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.2 BrCCCI CS-0199040 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 C#CCCO CS-W001947 [1,0,0,0,0,0|1,0,2]=4 164 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 CCCCN CS-0214149 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 CCNCC CS-0160324 [1,0,0,0,0,0|3,0,0]=4 167 B4R0.2 CNCCO CS-0542090 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 CNCCO CS-W008875 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 COCCO CS-0179325 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 COCCO CS-0200432 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 CSCCO CS-0150086 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 FCCCI CS-0121313 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 ICCCI CS-W012156 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 N#CCCO CS-W001263 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 NCCCN CS-0214047 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 NCCCN CS-0214116 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,1]=3 181 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|1,0,1]=3 183 B4R0.2 OCCCF CS-0170820 [1,0,0,0,0,0|1,0,1]=3 184 B4R0.2 OCCCI CS-W015993 [1,0,0,0,0,0|1,0,1]=3 185 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|0,0,1]=2 186 B6R0.1 C#CC(=O)NCC CS-0168077 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.1 C=CC(=O)NCC CS-W013719 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.1 C=CCC(=O)OC CS-0158011 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.1 C=CCC(N)CO CS-0197807 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CC(CO)CCN CS-0154050 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.1 CC(CO)CCO CS-0517219 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.1 CCCC(=O)NN CS-0152447 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 CCCC(O)CO CS-0017222 [0,1,0,0,0,0|1,0,2]=4 196 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.1 CCOC(=O)C#N CS-0022374 [0,1,0,0,0,0|2,0,1]=4 200 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|2,0,0]=3 201 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.1 CCOC(=O)NN CS-W008412 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.1 CNC(=O)CCCl CS-0143787 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.1 CNC(=O)CCO CS-0188403 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.1 CNCC(O)CO CS-0151017 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.1 COC(=O)CC#N CS-W016657 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.1 COC(=O)CCCl CS-0131786 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.1 COC(=O)CCI CS-0615889 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.1 COC(=O)CCN CS-W007648 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.1 COC(=O)CCO CS-0022864 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|2,1,0]=4 216 B6R0.1 COC(=O)OCCl CS-0067504 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.1 COCC(=O)NN CS-W005634 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.1 COCC(N)CO CS-0106469 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.1 COCC(O)CN CS-0106474 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.1 N#CCC(=O)NN CS-4488 [0,1,0,0,0,0|3,0,0]=4 221 B6R0.1 N#CCC(=O)O[Na] CS-0187634 [0,1,0,0,0,0|3,0,0]=4 222 B6R0.1 NNC(=O)CCS CS-0513962 [0,1,0,0,0,0|2,1,0]=4 223 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|0,0,2]=3 225 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,1,0,0,0,0|0,0,2]=3 226 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.3 CC(C)C(=N)NO CS-0008651 [0,1,0,0,0,0|3,0,0]=4 229 B6R0.3 CC(C)C(=N)NO CS-W011311 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.3 CC(C)C(=O)CBr CS-0020096 [0,1,0,0,0,0|2,0,0]=3 231 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.3 CC(C)C(=O)O[K] CS-0196930 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.3 CC(C)C(=O)O[Na] CS-0040347 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.3 CC(C)C(N)CO CS-W004906 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.3 CC(O)C(=O)O[Na] CS-0030973 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.3 CCC(=O)N(C)C CS-W001248 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.3 CN(C)C(=O)CCl CS-0008654 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.3 CN(C)C(=O)CI CS-0239613 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.3 CN(C)C(=O)CN CS-W003959 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.3 CNC(=O)C(C)N CS-0154032 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.3 COC(=O)C(C)Br CS-0154978 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0895775 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0897268 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.3 C[C@H](O)C(=O)O[Na] CS-W020973 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.3 NNC(=O)C(F)F CS-0523673 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,1,0,0,0,0|1,0,2]=4 263 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,1,0,0,0,0|1,0,2]=4 265 B6R0.3 O=C(O)C(=O)CBr CS-5517 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.3 O=C(O)C(=O)O[K] CS-0198035 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,1,0,0,0,0|0,0,3]=4 268 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|3,0,0]=4 271 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,1,0,0,0,0|1,0,1]=3 272 B6R0.3 [Li]OC(=O)C(C)O CS-W011341 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 [Li]OC(=O)[C@H](C)O CS-0015207 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.8 CC(C)(CN)CO CS-W008239 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.8 CC(C)(CO)CBr CS-0043654 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.8 CC(C)(CO)CCl CS-W011189 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.8 CC(N)(CO)CO CS-W017770 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.8 CCS(=O)(=O)CC CS-0376644 [0,1,0,0,0,0|3,0,0]=4 279 B6R0.8 NCC(F)(F)CO CS-B1180 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.8 OCC(F)(F)CO CS-0094694 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.9 CCN(CC)N=O CS-0128799 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.9 OCC(CO)CO CS-W005889 [0,1,0,0,0,0|0,0,2]=3 284 B6R1.2 BrC1CCOC1 CS-W004035 [0,0,0,1,0,0|2,0,1]=4 285 B6R1.2 IC1CCOC1 CS-W004266 [0,0,0,1,0,0|2,0,1]=4 286 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,0,0,1,0,0|2,0,1]=4 287 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,0,0,1,0,0|2,0,1]=4 288 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,1]=4 289 B6R1.2 NC1CCOC1 CS-W011353 [0,0,0,1,0,0|2,0,1]=4 290 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|2,0,1]=4 291 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,0,0,1,0,0|2,0,1]=4 292 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|2,0,1]=4 293 B6R1.2 O=C1CC=NN1 CS-W004408 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.2 O=C1CCCN1 CS-0197058 [0,0,0,1,0,0|3,0,0]=4 295 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|2,0,0]=3 296 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,1,0,0|3,0,0]=4 297 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|1,0,0]=2 298 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|1,1,0]=3 299 B6R1.2 O=S1CCCC1 CS-0207394 [0,0,0,1,0,0|3,0,0]=4 300 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|1,0,2]=4 301 B6R1.2 OC1CNOC1 CS-0271204 [0,0,0,1,0,0|1,0,2]=4 302 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|1,0,2]=4 303 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|1,0,2]=4 304 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,0,0,1,0,0|1,0,2]=4 305 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|1,0,0]=2 306 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|2,0,1]=4 307 B6R1.4 O=C1CCC1Br CS-0147268 [0,0,0,1,0,0|2,0,0]=3 308 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|2,0,1]=4 309 B6R1.6 ICC1COC1 CS-0045504 [0,0,0,1,0,0|2,0,1]=4 310 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|2,0,1]=4 311 B6R1.6 OCC1CCC1 CS-W001922 [0,0,0,1,0,0|2,0,1]=4 312 B6R1.6 OCC1CCN1 CS-0049913 [0,0,0,1,0,0|2,0,1]=4 313 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|1,0,2]=4 314 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|2,0,1]=4 315 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|2,0,1]=4 316 B6R1.7 CC1(CO)CC1 CS-W000081 [0,0,0,1,0,0|2,0,1]=4 317 B6R1.7 NC1(CO)CC1 CS-0040895 [0,0,0,1,0,0|2,0,1]=4 318 B6R1.7 NC1(CO)CC1 CS-D0148 [0,0,0,1,0,0|2,0,1]=4 319 B6R1.7 OCC1(F)CC1 CS-W000077 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.7 OCC1(O)CC1 CS-0037029 [0,0,0,1,0,0|1,0,2]=4 321 B3R0.1 C(=O)ON CS-0015274 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.1 CCCN CS-0203559 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.1 CCC[O-] CS-0636169 [2,0,0,0,0,0|0,0,2]=4 325 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.1 CCNO CS-0370696 [2,0,0,0,0,0|1,0,1]=4 327 B3R0.1 ICCI CS-0143351 [2,0,0,0,0,0|2,0,0]=4 328 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.1 NCCS CS-2800 [2,0,0,0,0,0|1,1,0]=4 333 B3R0.1 O=BOO CS-0013869 [2,0,0,0,0,0|2,0,0]=4 334 B3R0.1 O=CO[Na] CS-0129037 [2,0,0,0,0,0|2,0,0]=4 335 B3R0.1 OCCI CS-W017637 [2,0,0,0,0,0|1,0,0]=3 336 B3R0.1 OCCO CS-0015059 [2,0,0,0,0,0|0,0,0]=2 337 B3R0.1 OCCO CS-0015844 [2,0,0,0,0,0|0,0,0]=2 338 B3R0.1 OCCO CS-0676146 [2,0,0,0,0,0|0,0,0]=2 339 B3R0.1 OCCO CS-0864542 [2,0,0,0,0,0|0,0,0]=2 340 B3R0.1 OCCO CS-0907650 [2,0,0,0,0,0|0,0,0]=2 341 B3R0.1 OCCO CS-0998158 [2,0,0,0,0,0|0,0,0]=2 342 B3R0.1 OCCO CS-1053456 [2,0,0,0,0,0|0,0,0]=2 343 B3R0.1 [Li]OC=O CS-0158490 [2,0,0,0,0,0|2,0,0]=4 344 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|2,0,0]=4 345 B3R0.2 CB(O)O CS-W018525 [2,0,0,0,0,0|1,0,1]=4 346 B3R0.2 CC(=N)N CS-0850442 [2,0,0,0,0,0|2,0,0]=4 347 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|0,0,0]=2 348 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|0,0,0]=2 349 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|0,0,0]=2 350 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|0,0,0]=2 351 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|0,0,0]=2 352 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,0]=2 353 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|0,0,1]=3 354 B3R0.2 CC(C)C CS-0035161 [2,0,0,0,0,0|1,0,1]=4 355 B3R0.2 CC(C)N CS-0154205 [2,0,0,0,0,0|1,0,1]=4 356 B3R0.2 CC(C)N CS-0182206 [2,0,0,0,0,0|1,0,1]=4 357 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,0]=3 358 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,1,0]=4 359 B3R0.2 CN(C)C CS-0204256 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.2 CN(C)C CS-D1390 [2,0,0,0,0,0|2,0,0]=4 361 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|1,0,0]=3 362 B3R0.2 C[Cr](C)C CS-0137821 [2,0,0,0,0,0|2,0,0]=4 363 B3R0.2 C[In](C)C CS-0111736 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.2 C[S+](C)Br CS-0311610 [2,0,0,0,0,0|2,0,0]=4 365 B3R0.2 C[S+](C)C CS-0128440 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.2 C[S+](C)C CS-W008974 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.2 NC(N)=O CS-0653234 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.2 NC(N)=O CS-B1800 [2,0,0,0,0,0|2,0,0]=4 369 B3R0.2 O[AlH3](O)O CS-0013311 [2,0,0,0,0,0|1,0,1]=4 370 B3R0.2 O[Au](O)O CS-0167620 [2,0,0,0,0,0|1,0,1]=4 371 B3R0.2 O[In](O)O CS-0166623 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.1 C#CCC(=O)O CS-W004784 [1,1,0,0,0,0|1,0,0]=3 373 B5R0.1 C=CCC(=O)O CS-0069849 [1,1,0,0,0,0|1,0,0]=3 374 B5R0.1 CC#CC(=O)O CS-W007936 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.1 CC(=O)CCN CS-0209803 [1,1,0,0,0,0|1,0,0]=3 377 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|0,0,0]=2 378 B5R0.1 CC(=O)OCBr CS-0090812 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.1 CC(=O)OCCl CS-0139458 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 CC(C)=CCCl CS-0204351 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.1 CC(C)=CCN CS-0236946 [1,1,0,0,0,0|2,0,0]=4 382 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.1 CC(C)CON CS-0136014 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.1 CC(O)CCO CS-0115644 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.1 CCCC(=O)O CS-0977378 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.1 CCCC(N)=O CS-0130522 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.1 CCNC(N)=O CS-W011351 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|2,0,0]=4 390 B5R0.1 CCOC(N)=O CS-4731 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.1 CNCC(=O)O CS-W018511 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.1 CNCC(N)=O CS-W011178 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.1 COCC(=N)N CS-W003564 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|0,0,0]=2 396 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.1 COC[C@H](C)N CS-0148795 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|0,0,2]=4 399 B5R0.1 CSCC(=O)O CS-0015159 [1,1,0,0,0,0|0,1,0]=3 400 B5R0.1 CSCC(N)=O CS-0150088 [1,1,0,0,0,0|1,1,0]=4 401 B5R0.1 CSCS(C)=O CS-0146450 [1,1,0,0,0,0|1,1,0]=4 402 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,1,0,0,0,0|0,0,2]=4 404 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,2]=4 406 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.1 N#CCC(=O)[O-] CS-0162555 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.1 N=C(O)CCN CS-W007497 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.1 NC(=O)CCBr CS-0046169 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.1 NC(=O)CCCl CS-0204808 [1,1,0,0,0,0|2,0,0]=4 413 B5R0.1 NC(=O)CCO CS-0205185 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.1 NCCC(=O)O CS-0668359 [1,1,0,0,0,0|1,0,0]=3 415 B5R0.1 NCCC(=O)O CS-W020126 [1,1,0,0,0,0|1,0,0]=3 416 B5R0.1 NCCS(=O)O CS-6985 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.1 NOCC(=O)O CS-8158 [1,1,0,0,0,0|0,0,0]=2 418 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|1,0,0]=3 419 B5R0.1 O=C(O)CCI CS-0204563 [1,1,0,0,0,0|1,0,0]=3 420 B5R0.1 O=C(O)CCO CS-0147832 [1,1,0,0,0,0|0,0,0]=2 421 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.1 O=[N+]([O-])CCO CS-W013741 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.4 CC(C)(N)CO CS-0129831 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.4 CC(C)(O)CO CS-W005057 [1,1,0,0,0,0|0,0,2]=4 430 B5R0.4 CCS(=O)(=O)O CS-0019432 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.4 CCS(C)(=O)=O CS-0197307 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.4 NCP(=O)(O)O CS-0085750 [1,1,0,0,0,0|2,0,0]=4 433 B5R0.4 NCS(=O)(=O)O CS-W016624 [1,1,0,0,0,0|2,0,0]=4 434 B5R0.4 O=S(O)(=[Ca])OO CS-0031707 [1,1,0,0,0,0|2,0,0]=4 435 B5R0.4 O=S(O)(=[Mg])OO CS-0017232 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.5 C=C(C)B(O)O CS-0175097 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.5 CC(=O)C(=O)O CS-W020190 [1,1,0,0,0,0|0,0,1]=3 440 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [1,1,0,0,0,0|0,0,2]=4 441 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.5 CC(=O)C(F)F CS-0121252 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.5 CC(=O)N(C)C CS-W023195 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [1,1,0,0,0,0|0,0,1]=3 446 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.5 CC(Br)C(N)=O CS-0139914 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(F)C(=O)O CS-0180920 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.5 CC(N)C(C)O CS-0217255 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.5 CC(N)C(N)=O CS-0186552 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.5 CC(O)C(=O)O CS-0013338 [1,1,0,0,0,0|0,0,0]=2 454 B5R0.5 CC(O)C(=O)O CS-0031116 [1,1,0,0,0,0|0,0,0]=2 455 B5R0.5 CC(O)C(=O)O CS-0310546 [1,1,0,0,0,0|0,0,0]=2 456 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|0,0,1]=3 457 B5R0.5 CC(O)C(C)O CS-0099502 [1,1,0,0,0,0|0,0,2]=4 458 B5R0.5 CC(O)C(N)=O CS-0068194 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|2,0,0]=4 464 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [1,1,0,0,0,0|0,0,2]=4 466 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,1,0,0,0,0|1,0,0]=3 469 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,1,0,0,0,0|1,0,0]=3 474 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [1,1,0,0,0,0|0,0,2]=4 475 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [1,1,0,0,0,0|0,0,2]=4 476 B5R0.5 NC(=O)C(=O)O CS-W013748 [1,1,0,0,0,0|0,0,2]=4 477 B5R0.5 NC(=O)C(F)F CS-0109914 [1,1,0,0,0,0|2,0,0]=4 478 B5R0.5 NC(O)C(=O)O CS-0380752 [1,1,0,0,0,0|0,0,0]=2 479 B5R0.5 O=C(O)C(=O)O CS-0013716 [1,1,0,0,0,0|0,0,1]=3 480 B5R0.5 O=C(O)C(=O)O CS-0017264 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.5 O=C(O)C(=O)O CS-0882464 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,1,0,0,0,0|0,0,1]=3 483 B5R0.5 O=C(O)C(F)Cl CS-0204955 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.5 O=C([O-])C(F)F CS-0121641 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,1,0,0,0,0|1,0,0]=3 487 B5R0.2 BrC\C=C\CBr CS-0005942 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.2 BrC\C=C\CBr CS-0017873 [1,1,0,0,0,0|2,0,0]=4 489 B5R0.2 C#CCCCO CS-W011358 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 CCC#CCO CS-0143646 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.2 CCCCON CS-0106180 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.2 CCNCCO CS-0076051 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.2 COCCCBr CS-W010945 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.2 CSCCCO CS-0015993 [1,1,0,0,0,0|0,1,1]=4 496 B5R0.2 C\C=C\CCO CS-0162245 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.2 NCCCCO CS-W002041 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.2 NC\C=C/CCl CS-M0797 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.2 NC\C=C/CN CS-WAA0092 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.2 NC\C=C\CN CS-0374306 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.2 NOC\C=C\Cl CS-0186105 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.2 OCC#CCCl CS-0262802 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.2 OCCCCBr CS-W000344 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 OCCCCCl CS-0022417 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.2 OCCCCF CS-0116811 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.2 OCCNCO CS-0203827 [1,1,0,0,0,0|0,0,1]=3 507 B5R0.2 OC\C=C\CO CS-0130476 [1,1,0,0,0,0|0,0,0]=2 508 B5R0.2 OC\C=C\CO CS-B0322 [1,1,0,0,0,0|0,0,0]=2 509 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,2,0,0,0,0|2,0,0]=4 519 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,2,0,0,0,0|2,0,0]=4 520 B7R0.3 C#CCNC(=O)CN CS-0179644 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.3 C=CC(=O)OCCO CS-W013616 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.3 C=CCOC(=O)CCl CS-W013366 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,2,0,0,0,0|2,0,0]=4 524 B7R0.3 CCOCC(O)CO CS-0151429 [0,2,0,0,0,0|0,0,2]=4 525 B7R0.3 COC(=O)C#CCO CS-0029743 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.3 COCCC(=O)OC CS-0072438 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.3 NCCNC(=O)CCl CS-0697880 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.3 O=C(CNCO)O[Na] CS-W019206 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.5 CC(C)C(=O)CC#N CS-0044094 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.7 CC(CCO)CCO CS-0188324 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.7 CCNC(=O)CC#N CS-0141694 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.7 CCOC(=O)CCI CS-W002223 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.7 CCOC(=O)CCO CS-0139545 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.7 CCOC(=O)CNN CS-W002085 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.7 CCOC(=O)COC CS-0008463 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.7 CCOC(=O)CSC CS-0133049 [0,2,0,0,0,0|1,1,0]=4 551 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.7 COCC(=O)COC CS-W007070 [0,2,0,0,0,0|0,0,0]=2 553 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.7 COCC(O)COC CS-W018661 [0,2,0,0,0,0|0,0,2]=4 555 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.7 OCCC(O)CCO CS-0469963 [0,2,0,0,0,0|0,0,2]=4 557 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,2,0,0,0,0|2,0,0]=4 562 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,2,0,0,0,0|2,0,0]=4 573 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.10 CON(C)C(=O)CCl CS-W001106 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.10 CON(C)C(=O)CN CS-0646800 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.10 NC(CO)C(=O)NO CS-0142371 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.10 NNC(=O)C(N)CO CS-0149906 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.10 O=C(CBr)C(=O)CBr CS-0014426 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [0,2,0,0,0,0|0,0,2]=4 583 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0019695 [0,2,0,0,0,0|0,0,2]=4 584 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0890220 [0,2,0,0,0,0|0,0,2]=4 585 B7R0.10 OC\C(Br)=C(/Br)CO CS-0137360 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.12 CCCC(CO)CO CS-W011220 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.14 CC(C)(Br)C(=O)CBr CS-0265191 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.14 O=C(OO)[Bi](=O)(O)[BiH2] CS-0021574 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.18 CCC(N)(CO)CO CS-0089934 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.18 NC(CO)(CO)CO CS-0015190 [0,2,0,0,0,0|0,0,2]=4 593 B7R0.18 NC(CO)(CO)CO CS-0201542 [0,2,0,0,0,0|0,0,2]=4 594 B7R0.18 NC(CO)(CO)CO CS-0201545 [0,2,0,0,0,0|0,0,2]=4 595 B7R0.18 NC(CO)(CO)CO CS-0201546 [0,2,0,0,0,0|0,0,2]=4 596 B7R0.18 NC(CO)(CO)CO CS-W009054 [0,2,0,0,0,0|0,0,2]=4 597 B7R0.18 NC(CO)(CO)CO CS-W018524 [0,2,0,0,0,0|0,0,2]=4 598 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|1,0,1]=4 599 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|1,0,1]=4 600 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,0,1]=4 601 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|2,0,0]=4 602 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,0]=3 603 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|0,0,0]=2 604 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|0,1,0]=3 605 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|0,0,2]=4 606 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|0,0,2]=4 607 B5R1.1 C1CNOC1 CS-0179756 [1,0,0,1,0,0|1,0,1]=4 608 B7R1.1 O=CC1CCOC1 CS-W004272 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.1 OCC1=COC=C1 CS-W007708 [0,1,0,1,0,0|1,0,1]=4 610 B7R1.1 OCC1=COC=N1 CS-0037571 [0,1,0,1,0,0|1,0,1]=4 611 B7R1.1 OCC1=NOC=C1 CS-W003938 [0,1,0,1,0,0|1,0,1]=4 612 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,0,1]=4 613 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,1,0,1,0,0|1,0,1]=4 620 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,1,0,1,0,0|1,0,1]=4 625 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,1,0,1,0,0|0,0,1]=3 626 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,1,0,1,0,0|0,0,2]=4 627 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.3 O=C1CCCNC1 CS-0048756 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.3 O=C1CCCNC1 CS-0185548 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.3 O=C1CCCSC1 CS-D0446 [0,1,0,1,0,0|1,1,0]=4 637 B7R1.3 O=C1CCOCC1 CS-D0601 [0,1,0,1,0,0|1,0,0]=3 638 B7R1.3 O=C1CCSCC1 CS-W002007 [0,1,0,1,0,0|1,1,0]=4 639 B7R1.3 O=C1CNCCN1 CS-B0039 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,0]=3 642 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|1,0,0]=3 643 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,1,0,0|1,1,0]=4 644 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,1,0,0|0,0,2]=4 645 B7R1.4 CC1CCNC1=O CS-W004958 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|2,0,0]=4 647 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,1,0,0|1,0,0]=3 648 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,1,0,0|1,1,0]=4 649 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.4 NC1CONC1=O CS-W008440 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,1,0,0|1,0,1]=4 662 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,0]=3 665 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,1,0,0|1,0,0]=3 666 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,0]=3 668 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|1,0,0]=3 670 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,1,0,0|0,0,2]=4 672 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.6 OCCC1COC1 CS-0052216 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,1,0,1,0,0|1,0,1]=4 676 B7R1.10 OCC1CC(O)C1 CS-0186717 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,1,0,1,0,0|1,0,0]=3 680 B7R1.22 O=C(O[K])[C@@H]1CO1 CS-0132936 [0,1,0,1,0,0|2,0,0]=4 681 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|1,0,1]=4 682 B7R1.25 NC1(CO)COC1 CS-0040896 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.29 OCC1(CO)CC1 CS-W002626 [0,1,0,1,0,0|1,0,1]=4