0 B5R0.3 C#CC(=O)NC CS-0202683 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.3 C#CC(=O)O[Na] CS-0620485 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 C=CC(=O)NC CS-0134564 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 C=CC(=O)O[K] CS-0196459 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 C=CC(O)C=C CS-0064552 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.3 C=CC(O)CO CS-W016675 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 CCC(=O)CBr CS-0131119 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(=O)CN CS-W005374 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CCC(=O)NC CS-0179730 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.3 CCC(=O)NN CS-0206618 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(=O)O[K] CS-0019431 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.3 CCC(=O)O[Na] CS-0013802 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.3 CCS(=O)CC CS-0199213 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 CCS(=O)O[Na] CS-0020098 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.3 CNC(=N)NN CS-0371525 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CNC(=O)CBr CS-0023001 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.3 CNC(=O)CCl CS-W007769 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.3 CNC(=O)CI CS-0244983 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.3 CNC(=O)CN CS-0008246 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 CNC(=O)CN CS-0130384 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CNC(=S)NC CS-0071975 [0,0,0,0,0,0|2,1,1]=4 25 B5R0.3 COC(=N)CCl CS-0150960 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 COC(=O)CI CS-0235696 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.3 COC(=O)CN CS-W018508 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.3 COC(=O)CO CS-W004068 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.3 COC(=O)NN CS-0015902 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.3 COC(=O)SCl CS-0313613 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.3 COC(C)C#N CS-0372147 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 CON(C)C=O CS-0128675 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.3 COS(=O)OC CS-0230894 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.3 CO[C@H](C)CN CS-0148788 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.3 CO[C@H](C)CN CS-0613352 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.3 CSC(=N)NN CS-0105940 [0,0,0,0,0,0|3,1,0]=4 40 B5R0.3 CSC(=S)NN CS-0033768 [0,0,0,0,0,0|2,2,0]=4 41 B5R0.3 NCC(=O)O[Na] CS-W016662 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.3 NNC(=O)CCl CS-0199719 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.3 NNC(=O)CO CS-W006527 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.3 NNC(=O)NN CS-0149890 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.3 NNC(=O)NO CS-0328319 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.3 O=C(CBr)CBr CS-W020932 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.3 O=C(CI)O[Na] CS-0014819 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.3 O=C(CO)CO CS-W019614 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.3 O=C(CS)O[Na] CS-0197966 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.3 O=C(OO)[Ag][Ag] CS-0015156 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.3 O=S(CO)O[Na] CS-0046582 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 C#CC(N)=O CS-0022393 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 C(=O)C(=O)O CS-0031458 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 C=C(Br)CBr CS-0132263 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C=CC(=O)O CS-0356466 [1,0,0,0,0,0|0,0,0]=1 57 B4R0.1 C=CC(=O)O CS-0356467 [1,0,0,0,0,0|0,0,0]=1 58 B4R0.1 C=CC(=O)O CS-0356469 [1,0,0,0,0,0|0,0,0]=1 59 B4R0.1 C=CC(=O)O CS-0356470 [1,0,0,0,0,0|0,0,0]=1 60 B4R0.1 C=CC(=O)O CS-0356471 [1,0,0,0,0,0|0,0,0]=1 61 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C=CC(N)=O CS-0255029 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 C=CC(N)=O CS-0255030 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 CC(=O)C=O CS-0031856 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 CC(=O)NBr CS-0142503 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 CCC(=N)S CS-W016672 [1,0,0,0,0,0|2,1,0]=4 76 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CNC(=N)N CS-W005028 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 CNC(=N)S CS-W011347 [1,0,0,0,0,0|2,1,0]=4 79 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 COC(=N)N CS-W017615 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 CS(=O)O[Na] CS-0019422 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CSC(=N)N CS-0011749 [1,0,0,0,0,0|2,1,0]=4 87 B4R0.1 CSC(=N)N CS-0134406 [1,0,0,0,0,0|2,1,0]=4 88 B4R0.1 CSC(=N)N CS-0199730 [1,0,0,0,0,0|2,1,0]=4 89 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 NC(=O)NO CS-2353 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 NNC(N)=O CS-W018530 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 O=C(O)[Ba]O CS-0015804 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 O=C([Co])OO CS-0111382 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 O=C([Cu])OO CS-0188508 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 O=CC(=O)O CS-W019807 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 O=C[Pb](=O)O CS-B1715 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 O=P(=O)OO CS-0015364 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.1 O=P(=O)OO CS-0021609 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 O=P(=O)OO CS-0144851 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 O=P(=O)OO CS-0642537 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 O=P(=O)OO CS-0653228 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.1 O=[Si](O)[Ca]O CS-0144587 [1,0,0,0,0,0|2,1,0]=4 110 B4R0.1 O=[Si](O)[Ca]O CS-0180929 [1,0,0,0,0,0|2,1,0]=4 111 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.2 C=CCCI CS-0139149 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 C=CCNN CS-0465740 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.2 CCNC=O CS-0187584 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.2 CCOC=N CS-0333913 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 COCC#N CS-0128800 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.2 COCCI CS-0139205 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.2 COCCO CS-0179325 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.2 COCCO CS-0200432 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.2 O=COO[Cs] CS-0534192 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.2 O=COO[Cs] CS-W008901 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.2 O=COO[K] CS-0644452 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.2 O=COO[Rb] CS-0146110 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 [Li]OOC=O CS-0013647 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 C#CC(=O)NCC CS-0168077 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.1 C=CC(=O)NCC CS-W013719 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.1 C=CCC(=O)OC CS-0158011 [0,1,0,0,0,0|0,0,0]=1 131 B6R0.1 CC#CC(=O)OC CS-0066219 [0,1,0,0,0,0|0,0,2]=3 132 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|0,0,2]=3 133 B6R0.1 CCCC(=O)NN CS-0152447 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.1 CCOC(=O)C#N CS-0022374 [0,1,0,0,0,0|1,0,1]=3 136 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.1 CCOC(=O)NN CS-W008412 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.1 CNC(=O)CCCl CS-0143787 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.1 CNC(=O)CCO CS-0188403 [0,1,0,0,0,0|1,0,2]=4 143 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.1 COC(=O)C#CBr CS-0043861 [0,1,0,0,0,0|0,0,2]=3 145 B6R0.1 COC(=O)C#CI CS-0513737 [0,1,0,0,0,0|0,0,2]=3 146 B6R0.1 COC(=O)CC#N CS-W016657 [0,1,0,0,0,0|0,0,2]=3 147 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|0,0,2]=3 148 B6R0.1 COC(=O)CCCl CS-0131786 [0,1,0,0,0,0|0,0,2]=3 149 B6R0.1 COC(=O)CCI CS-0615889 [0,1,0,0,0,0|0,0,2]=3 150 B6R0.1 COC(=O)CCN CS-W007648 [0,1,0,0,0,0|0,0,2]=3 151 B6R0.1 COC(=O)CCO CS-0022864 [0,1,0,0,0,0|0,0,2]=3 152 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|0,0,2]=3 153 B6R0.1 COC(=O)OCCl CS-0067504 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.1 COC(=O)\C=C/I CS-0150951 [0,1,0,0,0,0|0,0,0]=1 155 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,1,0,0,0,0|0,0,0]=1 156 B6R0.1 COCC(=O)NN CS-W005634 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.1 N#CCC(=O)O[Na] CS-0187634 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.1 NNC(=O)CCS CS-0513962 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.3 C=C(C)C(=O)NC CS-0167922 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 C=C(C)C(=O)O[Na] CS-W016633 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.3 C=CC(=O)N(C)C CS-0016062 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 C=CN(C)C(C)=O CS-W013718 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.3 CC(=O)C(=O)O[K] CS-0155155 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.3 CC(=O)C(=O)O[Na] CS-W016629 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.3 CC(C)C(=O)CBr CS-0020096 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.3 CC(C)C(=O)O[K] CS-0196930 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.3 CC(C)C(=O)O[Na] CS-0040347 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.3 CC(O)C(=O)O[Na] CS-0030973 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.3 CCC(=O)N(C)C CS-W001248 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.3 CN(C)C(=O)CCl CS-0008654 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.3 CN(C)C(=O)CI CS-0239613 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.3 CN(C)C(=O)CN CS-W003959 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.3 CNC(=O)C(C)N CS-0154032 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,1,0,0,0,0|1,0,0]=2 190 B6R0.3 COC(=O)C(C)=O CS-W013701 [0,1,0,0,0,0|0,0,1]=2 191 B6R0.3 COC(=O)C(C)Br CS-0154978 [0,1,0,0,0,0|0,0,2]=3 192 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|0,0,2]=3 193 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,1,0,0,0,0|0,0,2]=3 195 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 CON(C)C(C)=O CS-W001095 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0895775 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.3 C[C@H](O)C(=O)O[Na] CS-0897268 [0,1,0,0,0,0|1,0,2]=4 200 B6R0.3 C[C@H](O)C(=O)O[Na] CS-W020973 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.3 NC(=O)C(=O)O[Na] CS-0109107 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 NNC(=O)C(N)=O CS-0181798 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.3 O=C(O)C(=O)CBr CS-5517 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.3 O=C(O)C(=O)O[K] CS-0198035 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|0,0,2]=3 208 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|0,0,2]=3 209 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.3 [Li]OC(=O)C(C)O CS-W011341 [0,1,0,0,0,0|1,0,2]=4 211 B6R0.3 [Li]OC(=O)[C@H](C)O CS-0015207 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.8 CCS(=O)(=O)OC CS-W011183 [0,1,0,0,0,0|1,0,2]=4 213 B6R0.8 COS(=O)(=O)O[Na] CS-0204494 [0,1,0,0,0,0|3,0,0]=4 214 B6R1.2 BrC1=CC=NS1 CS-0157906 [0,0,0,1,0,0|2,1,0]=4 215 B6R1.2 BrC1=CN=CO1 CS-0469695 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.2 BrC1=CSC=C1 CS-W009226 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.2 BrC1=NC=CO1 CS-0084599 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.2 BrC1=NNC=C1 CS-D0856 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.2 BrC1=NOC=C1 CS-0039114 [0,0,0,1,0,0|3,0,0]=4 220 B6R1.2 CC1=CC=CN1 CS-W011360 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.2 CC1=CC=CS1 CS-W011331 [0,0,0,1,0,0|1,1,1]=4 222 B6R1.2 CC1=CC=NO1 CS-0085310 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.2 CC1=NC=CO1 CS-0312016 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.2 CC1=NNC=C1 CS-B0947 [0,0,0,1,0,0|3,0,0]=4 225 B6R1.2 ClC1=CC=CS1 CS-W011216 [0,0,0,1,0,0|1,1,1]=4 226 B6R1.2 ClC1=CSC=C1 CS-W013592 [0,0,0,1,0,0|3,0,0]=4 227 B6R1.2 ClC1=NNC=C1 CS-W021893 [0,0,0,1,0,0|3,0,0]=4 228 B6R1.2 FC1=NNC=C1 CS-0035415 [0,0,0,1,0,0|3,0,0]=4 229 B6R1.2 IC1=CC=CS1 CS-W007589 [0,0,0,1,0,0|1,1,1]=4 230 B6R1.2 IC1=CSC=C1 CS-W004948 [0,0,0,1,0,0|3,0,0]=4 231 B6R1.2 IC1=NC=CO1 CS-0051894 [0,0,0,1,0,0|2,0,1]=4 232 B6R1.2 IC1=NNC=C1 CS-D0881 [0,0,0,1,0,0|3,0,0]=4 233 B6R1.2 NC1=CC=NN1 CS-0032811 [0,0,0,1,0,0|3,0,0]=4 234 B6R1.2 NC1=CC=NO1 CS-W005361 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.2 NC1=CC=NS1 CS-0160228 [0,0,0,1,0,0|2,1,0]=4 236 B6R1.2 NC1=CSC=C1 CS-0167153 [0,0,0,1,0,0|3,0,0]=4 237 B6R1.2 NC1=CSC=C1 CS-D0258 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.2 NC1=CSC=C1 CS-D0330 [0,0,0,1,0,0|3,0,0]=4 239 B6R1.2 NC1=NC=CO1 CS-D0841 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.2 NC1=NNC=C1 CS-D1141 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.2 NC1=NOC=C1 CS-W007329 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|1,0,0]=2 243 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,1,0,0|0,0,0]=1 244 B6R1.2 O=C1C=CCS1 CS-0348812 [0,0,0,1,0,0|0,1,0]=2 245 B6R1.2 O=C1C=CNN1 CS-W004179 [0,0,0,1,0,0|2,0,0]=3 246 B6R1.2 O=C1C=CSN1 CS-0005502 [0,0,0,1,0,0|2,0,0]=3 247 B6R1.2 O=C1CC=NN1 CS-W004408 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.2 O=C1CCCN1 CS-0197058 [0,0,0,1,0,0|1,0,2]=4 249 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|2,0,1]=4 250 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,1,0,0|3,0,0]=4 251 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|2,0,1]=4 252 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|2,0,1]=4 253 B6R1.2 O=C1N=CNN1 CS-0044804 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.2 O=C1NC=CN1 CS-W002186 [0,0,0,1,0,0|2,0,1]=4 255 B6R1.2 O=C1NCCN1 CS-0075560 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.2 O=C1NCCO1 CS-W007548 [0,0,0,1,0,0|1,0,1]=3 257 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,1,0,0|1,1,1]=4 258 B6R1.2 O=C1OC=CO1 CS-W013752 [0,0,0,1,0,0|1,0,1]=3 259 B6R1.2 O=S1OCCO1 CS-W013675 [0,0,0,1,0,0|2,0,1]=4 260 B6R1.2 OC1=NNC=C1 CS-0044191 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.2 OC1=NOC=C1 CS-0047268 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,1,0,0|1,0,2]=4 263 B6R1.2 S=C1NCCO1 CS-0097403 [0,0,0,1,0,0|1,1,1]=4 264 B6R1.2 SC1=CC=CS1 CS-W016596 [0,0,0,1,0,0|0,2,1]=4 265 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|2,0,1]=4 266 B6R1.4 O=C1CCC1Br CS-0147268 [0,0,0,1,0,0|2,0,1]=4 267 B3R0.1 Br\C=C\Br CS-0197272 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.1 C(=O)ON CS-0015274 [2,0,0,0,0,0|1,0,0]=3 269 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|1,0,1]=4 270 B3R0.1 O=BOO CS-0013869 [2,0,0,0,0,0|2,0,0]=4 271 B3R0.1 O=CO[Na] CS-0129037 [2,0,0,0,0,0|1,0,0]=3 272 B3R0.1 [Li]OB=O CS-0128725 [2,0,0,0,0,0|2,0,0]=4 273 B3R0.1 [Li]OC=O CS-0158490 [2,0,0,0,0,0|1,0,0]=3 274 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|2,0,0]=4 275 B3R0.2 CC(=N)N CS-0850442 [2,0,0,0,0,0|2,0,0]=4 276 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|0,0,1]=3 277 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|0,0,1]=3 278 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|0,0,1]=3 279 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|0,0,1]=3 280 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|0,0,1]=3 281 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,1]=3 282 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|1,0,0]=3 283 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,0]=3 284 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,1,0]=4 285 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|1,0,1]=4 286 B3R0.2 NC(N)=O CS-0653234 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.2 NC(N)=O CS-B1800 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.1 C#CCC(=O)O CS-W004784 [1,1,0,0,0,0|0,0,2]=4 289 B5R0.1 C=CCC(=O)O CS-0069849 [1,1,0,0,0,0|0,0,0]=2 290 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.1 CC#CC(=O)O CS-W007936 [1,1,0,0,0,0|0,0,2]=4 292 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|0,0,2]=4 293 B5R0.1 CC(=O)CCN CS-0209803 [1,1,0,0,0,0|0,0,2]=4 294 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.1 CC(=O)OCBr CS-0090812 [1,1,0,0,0,0|0,0,1]=3 296 B5R0.1 CC(=O)OCCl CS-0139458 [1,1,0,0,0,0|0,0,1]=3 297 B5R0.1 CC(C)=CCCl CS-0204351 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.1 CC(C)=CCN CS-0236946 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.1 CCCC(=O)O CS-0977378 [1,1,0,0,0,0|0,0,2]=4 301 B5R0.1 CCCC(N)=O CS-0130522 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.1 CCNC(N)=O CS-W011351 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.1 CCOC(=N)N CS-W019160 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.1 CCOC(N)=O CS-4731 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|0,0,2]=4 307 B5R0.1 CNCC(=O)O CS-W018511 [1,1,0,0,0,0|0,0,2]=4 308 B5R0.1 CNCC(N)=O CS-W011178 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.1 COCC(=N)N CS-W003564 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.1 CSCC(=O)O CS-0015159 [1,1,0,0,0,0|0,0,2]=4 312 B5R0.1 CSCC(N)=O CS-0150088 [1,1,0,0,0,0|1,1,0]=4 313 B5R0.1 C\C(N)=C\C#N CS-0005803 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.1 C\C=C\B(O)O CS-0086306 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,1,0,0,0,0|0,0,0]=2 316 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,1,0,0,0,0|0,0,0]=2 317 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,1,0,0,0,0|0,0,0]=2 318 B5R0.1 NC(=O)CCBr CS-0046169 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.1 NC(=O)CCCl CS-0204808 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.1 NC(=O)CCO CS-0205185 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.1 NCCC(=O)O CS-0668359 [1,1,0,0,0,0|0,0,2]=4 322 B5R0.1 NCCC(=O)O CS-W020126 [1,1,0,0,0,0|0,0,2]=4 323 B5R0.1 NOCC(=O)O CS-8158 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|0,0,2]=4 325 B5R0.1 O=C(O)CCI CS-0204563 [1,1,0,0,0,0|0,0,2]=4 326 B5R0.1 O=C(O)CCO CS-0147832 [1,1,0,0,0,0|0,0,2]=4 327 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,1,0,0,0,0|0,0,0]=2 328 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,1,0,0,0,0|0,0,0]=2 329 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,1,0,0,0,0|0,0,0]=2 330 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,1,0,0,0,0|0,0,0]=2 331 B5R0.4 C=CS(=O)(=O)F CS-0197774 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.4 C=CS(=O)(=O)[O-] CS-0157965 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.4 C=CS(N)(=O)=O CS-0091212 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.4 COS(C)(=O)=O CS-W004702 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.5 C=C(C)B(O)O CS-0175097 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [1,1,0,0,0,0|0,0,1]=3 337 B5R0.5 C=C(C)C(N)=O CS-0031911 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [1,1,0,0,0,0|0,0,0]=2 339 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,1,0,0,0,0|0,0,0]=2 340 B5R0.5 CC(=O)C(=O)O CS-W020190 [1,1,0,0,0,0|0,0,1]=3 341 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,1,0,0,0,0|0,0,2]=4 343 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,2]=4 344 B5R0.5 CC(=O)C(F)F CS-0121252 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.5 CC(=O)N(C)C CS-W023195 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [1,1,0,0,0,0|0,0,1]=3 347 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,1,0,0,0,0|0,0,2]=4 348 B5R0.5 CC(Br)C(N)=O CS-0139914 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.5 CC(C)=C(C)Br CS-0188281 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|2,0,0]=4 351 B5R0.5 CC(F)C(=O)O CS-0180920 [1,1,0,0,0,0|0,0,2]=4 352 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|0,0,2]=4 353 B5R0.5 CC(N)C(N)=O CS-0186552 [1,1,0,0,0,0|2,0,0]=4 354 B5R0.5 CC(O)C(=O)O CS-0013338 [1,1,0,0,0,0|0,0,2]=4 355 B5R0.5 CC(O)C(=O)O CS-0031116 [1,1,0,0,0,0|0,0,2]=4 356 B5R0.5 CC(O)C(=O)O CS-0310546 [1,1,0,0,0,0|0,0,2]=4 357 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.5 CC(O)C(N)=O CS-0068194 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.5 CN(C)C(N)=O CS-0132397 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|0,0,2]=4 361 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,1,0,0,0,0|0,0,2]=4 363 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [1,1,0,0,0,0|0,0,2]=4 367 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [1,1,0,0,0,0|2,0,0]=4 368 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,1,0,0,0,0|0,0,2]=4 369 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [1,1,0,0,0,0|0,0,2]=4 373 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.5 N=C(N)S(=O)O CS-W016631 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.5 NC(=O)C(=O)O CS-W013748 [1,1,0,0,0,0|1,0,0]=3 376 B5R0.5 NC(=O)C(N)=O CS-W016676 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.5 NC(O)C(=O)O CS-0380752 [1,1,0,0,0,0|1,0,1]=4 378 B5R0.5 O=C(O)C(=O)O CS-0013716 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.5 O=C(O)C(=O)O CS-0017264 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.5 O=C(O)C(=O)O CS-0882464 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.5 O=C(O)C(F)Cl CS-0204955 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.5 O=C([O-])C(=O)[O-] CS-0199246 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.2 C=CCCCI CS-0135974 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.2 C=CCCNC CS-0197692 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.2 CC\C=C\C=O CS-0173472 [1,1,0,0,0,0|1,0,0]=3 389 B5R0.2 C\C=C\CCO CS-0162245 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.2 NOC\C=C\Cl CS-0186105 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,2,0,0,0,0|0,0,1]=3 398 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,2,0,0,0,0|0,0,2]=4 399 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,2,0,0,0,0|0,0,1]=3 400 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,2,0,0,0,0|0,0,2]=4 401 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,2,0,0,0,0|0,0,2]=4 402 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,2,0,0,0,0|0,0,2]=4 403 B7R0.2 COC(=O)C[N+](=O)[O-] CS-0130670 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,2,0,0,0,0|0,0,2]=4 406 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,2,0,0,0,0|0,0,2]=4 407 B7R0.3 C#CCCC(=O)OC CS-0137200 [0,2,0,0,0,0|0,0,2]=4 408 B7R0.3 C=CC(=O)NCCN CS-0128084 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,2,0,0,0,0|0,0,0]=2 410 B7R0.3 C=CC(=O)OCCO CS-W013616 [0,2,0,0,0,0|0,0,0]=2 411 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,2,0,0,0,0|0,0,0]=2 412 B7R0.3 C=CCOC(=O)CCl CS-W013366 [0,2,0,0,0,0|1,0,1]=4 413 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,2,0,0,0,0|0,0,0]=2 414 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,2,0,0,0,0|0,0,0]=2 415 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.3 CCCOC(=O)OC CS-0111112 [0,2,0,0,0,0|0,0,2]=4 417 B7R0.3 CNCCC(=O)OC CS-0150994 [0,2,0,0,0,0|0,0,2]=4 418 B7R0.3 COC(=O)C#CCO CS-0029743 [0,2,0,0,0,0|0,0,2]=4 419 B7R0.3 COC(=O)CCC#N CS-W009546 [0,2,0,0,0,0|0,0,2]=4 420 B7R0.3 COC(=O)CCCBr CS-W004701 [0,2,0,0,0,0|0,0,2]=4 421 B7R0.3 COC(=O)CCCCl CS-0001466 [0,2,0,0,0,0|0,0,2]=4 422 B7R0.3 COC(=O)CCCI CS-0001467 [0,2,0,0,0,0|0,0,2]=4 423 B7R0.3 COC(=O)CCCN CS-W019991 [0,2,0,0,0,0|0,0,2]=4 424 B7R0.3 COC(=O)CCSC CS-0128902 [0,2,0,0,0,0|0,0,2]=4 425 B7R0.3 COC(=O)CNC=O CS-0187476 [0,2,0,0,0,0|0,0,1]=3 426 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,2,0,0,0,0|0,0,0]=2 427 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,2,0,0,0,0|0,0,0]=2 428 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,2,0,0,0,0|0,0,0]=2 429 B7R0.3 COCCC(=O)OC CS-0072438 [0,2,0,0,0,0|0,0,2]=4 430 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,2,0,0,0,0|0,0,0]=2 431 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,2,0,0,0,0|0,0,0]=2 432 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.5 CCOC(=O)C(=N)N CS-0151910 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,0]=3 435 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,2,0,0,0,0|0,0,1]=3 437 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,2,0,0,0,0|0,0,2]=4 438 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,2,0,0,0,0|1,0,0]=3 441 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,2,0,0,0,0|0,0,2]=4 443 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,2,0,0,0,0|0,0,2]=4 444 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,2,0,0,0,0|1,0,1]=4 445 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|0,0,2]=4 446 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,2,0,0,0,0|0,0,2]=4 447 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,2,0,0,0,0|0,0,0]=2 448 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,2,0,0,0,0|0,0,0]=2 449 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,2,0,0,0,0|0,0,2]=4 450 B7R0.7 CCOC(=O)C#CBr CS-W022671 [0,2,0,0,0,0|0,0,2]=4 451 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|0,0,2]=4 452 B7R0.7 CCOC(=O)CCI CS-W002223 [0,2,0,0,0,0|0,0,2]=4 453 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|0,0,2]=4 454 B7R0.7 CCOC(=O)CCO CS-0139545 [0,2,0,0,0,0|0,0,2]=4 455 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|0,0,2]=4 456 B7R0.7 CCOC(=O)CNN CS-W002085 [0,2,0,0,0,0|1,0,1]=4 457 B7R0.7 CCOC(=O)COC CS-0008463 [0,2,0,0,0,0|0,0,2]=4 458 B7R0.7 CCOC(=O)CSC CS-0133049 [0,2,0,0,0,0|0,0,2]=4 459 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,2,0,0,0,0|0,0,2]=4 460 B7R0.7 COCC(=O)COC CS-W007070 [0,2,0,0,0,0|0,0,2]=4 461 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,2,0,0,0,0|0,0,0]=2 462 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,2,0,0,0,0|0,0,2]=4 465 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,2,0,0,0,0|0,0,2]=4 466 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,2,0,0,0,0|0,0,2]=4 467 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,2,0,0,0,0|0,0,2]=4 468 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|0,0,2]=4 469 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,2,0,0,0,0|0,0,2]=4 470 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|0,0,2]=4 471 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,2,0,0,0,0|0,0,1]=3 472 B7R0.10 COC(=O)C(=O)NN CS-0265222 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,2,0,0,0,0|0,0,2]=4 475 B7R0.10 COC(=O)C(C)CN CS-0253549 [0,2,0,0,0,0|0,0,2]=4 476 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|0,0,2]=4 477 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,2,0,0,0,0|0,0,2]=4 478 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|0,0,2]=4 479 B7R0.10 COC(=O)C(N)CS CS-0150913 [0,2,0,0,0,0|0,0,2]=4 480 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|0,0,2]=4 481 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,2,0,0,0,0|0,0,2]=4 482 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [0,2,0,0,0,0|0,0,2]=4 483 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|0,0,2]=4 484 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|0,0,2]=4 485 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [0,2,0,0,0,0|0,0,2]=4 486 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,2,0,0,0,0|0,0,2]=4 487 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,2,0,0,0,0|0,0,2]=4 488 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [0,2,0,0,0,0|0,0,2]=4 489 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|0,0,2]=4 490 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,2,0,0,0,0|0,0,2]=4 491 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,2,0,0,0,0|0,0,2]=4 492 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|0,0,2]=4 493 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.10 CON(C)C(=O)CCl CS-W001106 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.10 CON(C)C(=O)CN CS-0646800 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.10 O=C(O[Na])C(=O)O[Na] CS-0015712 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|0,0,2]=4 498 B7R0.11 C=CCS(=O)(=O)O[Na] CS-W018253 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.14 COC(=O)C(C)(C)F CS-0017916 [0,2,0,0,0,0|0,0,2]=4 500 B7R0.14 COC(=O)C(C)(C)N CS-0006965 [0,2,0,0,0,0|0,0,2]=4 501 B7R0.14 COC(=O)C(C)(C)N CS-W002520 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.14 COC(=O)C(F)(F)Br CS-0121434 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.14 COC(=O)C(F)(F)Cl CS-0017970 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.16 C=C(C)C(=O)N(C)C CS-W016612 [0,2,0,0,0,0|1,0,0]=3 505 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,2,0,0,0,0|2,0,0]=4 506 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,1]=4 507 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 508 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,1]=4 509 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,0,1]=4 510 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|1,0,1]=4 511 B5R1.1 C1=CNC=C1 CS-0655066 [1,0,0,1,0,0|1,0,1]=4 512 B5R1.1 C1=CNN=C1 CS-W008829 [1,0,0,1,0,0|2,0,0]=4 513 B5R1.1 C1=COC=N1 CS-0020144 [1,0,0,1,0,0|1,0,1]=4 514 B5R1.1 C1=CON=C1 CS-W011365 [1,0,0,1,0,0|1,0,0]=3 515 B7R1.1 CCC1=CC=CN1 CS-0198957 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.1 CCC1=CC=CO1 CS-W013731 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.1 CCC1=CN=CN1 CS-0055072 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.1 CCC1=NC=CN1 CS-0111073 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.1 CCC1=NC=CN1 CS-W013728 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.1 CNC1=NC=CS1 CS-W006616 [0,1,0,1,0,0|1,1,0]=4 521 B7R1.1 COC1=CC=CS1 CS-W001141 [0,1,0,1,0,0|0,1,0]=3 522 B7R1.1 COC1=CNN=C1 CS-0050823 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.1 COC1=CSC=C1 CS-W008023 [0,1,0,1,0,0|0,1,0]=3 524 B7R1.1 COC1=NC=CS1 CS-W005816 [0,1,0,1,0,0|0,1,0]=3 525 B7R1.1 COC1=NNC=C1 CS-0150000 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.1 CSC1=CC=CS1 CS-W013432 [0,1,0,1,0,0|0,2,0]=4 527 B7R1.1 CSC1=NC=CS1 CS-0127990 [0,1,0,1,0,0|0,2,0]=4 528 B7R1.1 N#CC1=CC=CO1 CS-W016667 [0,1,0,1,0,0|1,0,1]=4 529 B7R1.1 N#CC1=CC=NO1 CS-W000598 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.1 NCC1=CC=NO1 CS-0067551 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.1 O=CC1=CC=CN1 CS-D0925 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.1 O=CC1=CC=CS1 CS-W013657 [0,1,0,1,0,0|0,1,1]=4 533 B7R1.1 O=CC1=CC=NS1 CS-0171021 [0,1,0,1,0,0|1,1,0]=4 534 B7R1.1 O=CC1=CN=CO1 CS-W000738 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.1 O=CC1=CNC=C1 CS-D1061 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.1 O=CC1=COC=C1 CS-M0782 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.1 O=CC1=CSC=C1 CS-W001968 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.1 O=CC1=NC=CO1 CS-W006539 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.1 O=CC1=NNC=C1 CS-W004202 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.2 CC1=CC(Br)=NO1 CS-W018569 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.2 CC1=CC(N)=NO1 CS-W022416 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.2 CC1=CC=C(C)S1 CS-0022382 [0,1,0,1,0,0|1,1,0]=4 549 B7R1.2 CC1=CC=C(Cl)S1 CS-0194560 [0,1,0,1,0,0|1,1,0]=4 550 B7R1.2 CC1=CC=C(N)S1 CS-0665024 [0,1,0,1,0,0|1,1,0]=4 551 B7R1.2 CC1=CNC(=O)N1 CS-0188032 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.2 CC1=NN(C)C=C1 CS-W002168 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.2 CC1=NNC(=O)O1 CS-W019158 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,1,0,1,0,0|0,0,0]=2 557 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|0,0,2]=4 558 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,1,0,1,0,0|0,0,2]=4 559 B7R1.2 CN1C=CC(Br)=N1 CS-D0836 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.2 CN1C=CC(Cl)=N1 CS-D1270 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.2 CN1C=CC(I)=N1 CS-W000413 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.2 CN1C=CC(N)=C1 CS-0196553 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.2 CN1C=CC(N)=N1 CS-M0755 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.2 CN1C=CC(O)=N1 CS-W004808 [0,1,0,1,0,0|1,0,1]=4 565 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,1,0,1,0,0|1,0,1]=4 566 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,1,0,1,0,0|0,0,2]=4 567 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,1,0,1,0,0|0,0,2]=4 568 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,1,0,1,0,0|0,0,2]=4 569 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|0,0,2]=4 573 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|0,0,2]=4 574 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.2 O=C1C=CC(=O)N1 CS-W007324 [0,1,0,1,0,0|1,0,1]=4 577 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [0,1,0,1,0,0|0,0,0]=2 579 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,1,0,1,0,0|1,0,1]=4 583 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,1,0,1,0,0|0,0,1]=3 586 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,1,0,1,0,0|1,1,0]=4 588 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,1,0,1,0,0|1,0,1]=4 590 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|0,0,2]=4 591 B7R1.3 O=C1C=CC=CN1 CS-W009230 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.3 O=C1C=CC=CO1 CS-W013734 [0,1,0,1,0,0|0,0,1]=3 593 B7R1.3 O=C1C=CC=NN1 CS-D0990 [0,1,0,1,0,0|1,0,1]=4 594 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.3 O=C1C=CNC=C1 CS-0166783 [0,1,0,1,0,0|1,0,1]=4 596 B7R1.3 O=C1C=COC=C1 CS-0108723 [0,1,0,1,0,0|1,0,1]=4 597 B7R1.3 O=C1C=NC=CN1 CS-W013733 [0,1,0,1,0,0|1,0,1]=4 598 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,1,0,0|0,0,2]=4 599 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|0,0,2]=4 600 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,1,0,0|0,0,2]=4 601 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,1]=4 602 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|0,0,2]=4 603 B7R1.3 O=C1N=CC=CN1 CS-0021072 [0,1,0,1,0,0|1,0,1]=4 604 B7R1.3 O=C1N=CC=CN1 CS-W002079 [0,1,0,1,0,0|1,0,1]=4 605 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,1,0,0|0,0,2]=4 606 B7R1.3 O=C1OCCCO1 CS-0155207 [0,1,0,1,0,0|0,0,2]=4 607 B7R1.4 CC1=C(Br)C=CS1 CS-0153498 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.4 CC1=C(Br)C=NO1 CS-W006910 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.4 CC1=C(Br)SC=C1 CS-W002276 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.4 CC1=C(C)SC=C1 CS-W011263 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.4 CC1=C(Cl)C=CS1 CS-0187856 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.4 CC1=C(I)SC=C1 CS-0527678 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.4 CC1=C(S)C=CO1 CS-W011245 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.4 CC1=CC=NN1C CS-W002808 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.4 CC1=CCCC1=O CS-0180943 [0,1,0,1,0,0|1,0,0]=3 616 B7R1.4 CC1=CSC=C1Br CS-W008032 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 CC1=CSC=C1C CS-W005271 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.4 CC1=NC=CN1C CS-W016663 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|0,0,2]=4 620 B7R1.4 CN1C=CN=C1Br CS-W002911 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.4 CN1C=CN=C1Cl CS-0101166 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.4 CN1C=CN=C1I CS-W003999 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.4 CN1C=CN=C1N CS-0139784 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.4 CN1C=CN=C1N CS-W004745 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.4 CN1C=CN=C1O CS-0199419 [0,1,0,1,0,0|1,0,1]=4 626 B7R1.4 CN1C=CNC1=S CS-2149 [0,1,0,1,0,0|1,1,0]=4 627 B7R1.4 CN1C=NC=C1Cl CS-0151157 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.4 CN1C=NC=C1I CS-W006750 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.4 CN1CCOC1=O CS-W016647 [0,1,0,1,0,0|1,0,1]=4 630 B7R1.4 CN1N=CC=C1Br CS-W018563 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.4 CN1N=CC=C1I CS-D0852 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.4 CN1N=CC=C1N CS-D1362 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.4 CN1N=CC=C1O CS-W008402 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.4 CN1N=CCC1=O CS-0151202 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.4 CN1NC=CC1=O CS-0151204 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.4 CN1SC=CC1=O CS-W010959 [0,1,0,1,0,0|1,0,0]=3 637 B7R1.4 CN1SC=CC1=O CS-W011236 [0,1,0,1,0,0|1,0,0]=3 638 B7R1.4 NC1=NONC1=O CS-0527523 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|0,0,2]=4 640 B7R1.4 NC1CONC1=O CS-W008440 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.4 NN1CCOC1=O CS-W013698 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|0,0,2]=4 643 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,1,0,1,0,0|1,0,1]=4 644 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|0,0,2]=4 645 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,1,0,1,0,0|1,0,1]=4 646 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|1,0,0]=3 647 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,1,0,0|0,0,2]=4 648 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,0,2]=4 649 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|0,0,2]=4 650 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|0,0,2]=4 651 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|0,0,2]=4 652 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,1,0,1,0,0|0,0,2]=4 653 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|0,0,2]=4 654 B7R1.22 O=C(O[K])[C@@H]1CO1 CS-0132936 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.14 O=S1(=O)C=CCO1 CS-W003828 [0,1,0,1,0,0|1,0,0]=3