0 B4R0.1 C#CC(C)N CS-0072301 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@H](C)N CS-0147130 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#C[C@H](C)O CS-0127970 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=C(Br)CBr CS-0132263 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(C)CN CS-0204398 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.1 C=CC(C)N CS-0173225 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CC(=N)NO CS-W008635 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(=O)C=O CS-0031856 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(=O)CN CS-W004850 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(=O)CO CS-0017823 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(=O)NBr CS-0142503 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(=O)NN CS-D1403 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=O)NO CS-4881 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(=O)O[Ag] CS-0082496 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CC(=O)O[K] CS-W020131 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 CC(Br)C#N CS-0020094 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 CC(Br)CO CS-0061061 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 CC(C)=NO CS-W009556 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC(C)CN CS-0154223 [0,0,0,0,0,0|0,0,0]=0 19 B4R0.1 CC(C)CN CS-0214073 [0,0,0,0,0,0|0,0,0]=0 20 B4R0.1 CC(C)NO CS-W022923 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(C)ON CS-W008733 [0,0,0,0,0,0|1,0,0]=1 22 B4R0.1 CC(N)C#N CS-0095478 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 CC(N)CCl CS-0161780 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(N)CF CS-0107816 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(N)CO CS-W018531 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CC(O)CBr CS-0063182 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 CC(O)CN CS-W016685 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 CC(O)CO CS-0015917 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 CCB(O)O CS-W000933 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 CCC(=N)N CS-W019290 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CCC(=N)S CS-W016672 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CCC(N)=O CS-W016688 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 CC[C@@H](C)N CS-0379054 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 CC[C@@H](C)O CS-0128797 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 CC[C@H](C)N CS-0084847 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 CNC(C)=O CS-0031873 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 CNN(C)C CS-M2145 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 CS(=O)O[Na] CS-0019422 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 C[C@@H](Cl)CO CS-0186126 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.1 C[C@@H](N)CF CS-0104382 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.1 C[C@@H](N)CN CS-W018220 [0,0,0,0,0,0|1,0,0]=1 42 B4R0.1 C[C@@H](N)CO CS-W011362 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 C[C@@H](O)CN CS-W002295 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 C[C@@H](O)CO CS-W020032 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 C[C@H](N)CF CS-0090252 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.1 C[C@H](N)CO CS-B1303 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 C[C@H](O)CN CS-W019029 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C[C@H](O)CO CS-0011520 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.1 N#CC(Br)Br CS-0242752 [0,0,0,0,0,0|2,0,2]=4 50 B4R0.1 N=C(N)CCl CS-W000829 [0,0,0,0,0,0|3,0,1]=4 51 B4R0.1 N=C(N)NN CS-0031844 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 N=C(N)NN CS-0201528 [0,0,0,0,0,0|3,0,1]=4 53 B4R0.1 N=C(N)NN CS-4562 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.1 NC(=O)CBr CS-W007330 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.1 NC(=O)CI CS-0020050 [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 NC(=O)CO CS-W016686 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.1 NCC(=O)O CS-0158475 [0,0,0,0,0,0|2,0,1]=3 58 B4R0.1 NCC(=O)O CS-0187433 [0,0,0,0,0,0|2,0,1]=3 59 B4R0.1 NCC(=O)O CS-B1641 [0,0,0,0,0,0|2,0,1]=3 60 B4R0.1 NCC(F)F CS-0121259 [0,0,0,0,0,0|2,0,0]=2 61 B4R0.1 NCC(N)=O CS-0149938 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 NCC(N)=O CS-W019695 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 NNC(N)=O CS-W018530 [0,0,0,0,0,0|3,0,1]=4 64 B4R0.1 NNC(N)=S CS-0008325 [0,0,0,0,0,0|3,0,1]=4 65 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [0,0,0,0,0,0|2,0,0]=2 66 B4R0.1 [C@@H](C)(N)CN CS-W008537 [0,0,0,0,0,0|1,0,0]=1 67 B4R0.1 [C@H](C)(O)CCl CS-W005784 [0,0,0,0,0,0|2,0,0]=2 68 B3R0.1 C(=O)ON CS-0015274 [1,0,0,0,0,0|2,0,1]=4 69 B3R0.1 CCCN CS-0079898 [1,0,0,0,0,0|0,0,0]=1 70 B3R0.1 CCCN CS-0203559 [1,0,0,0,0,0|0,0,0]=1 71 B3R0.1 CCC[O-] CS-0636169 [1,0,0,0,0,0|1,0,0]=2 72 B3R0.1 CCNC CS-0158300 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.1 CCNN CS-0151959 [1,0,0,0,0,0|1,0,0]=2 74 B3R0.1 CCNN CS-0160233 [1,0,0,0,0,0|1,0,0]=2 75 B3R0.1 CCNO CS-0370696 [1,0,0,0,0,0|2,0,0]=3 76 B3R0.1 CCON CS-0017502 [1,0,0,0,0,0|1,0,0]=2 77 B3R0.1 CCON CS-W011335 [1,0,0,0,0,0|1,0,0]=2 78 B3R0.1 CNNC CS-0530458 [1,0,0,0,0,0|3,0,0]=4 79 B3R0.1 CNOC CS-D1361 [1,0,0,0,0,0|3,0,0]=4 80 B3R0.1 C[Se][Se]C CS-0199215 [1,0,0,0,0,0|3,0,0]=4 81 B3R0.1 ICCI CS-0143351 [1,0,0,0,0,0|2,0,0]=3 82 B3R0.1 N#CCI CS-W016050 [1,0,0,0,0,0|1,0,2]=4 83 B3R0.1 N#CCN CS-W013739 [1,0,0,0,0,0|1,0,1]=3 84 B3R0.1 NCCBr CS-W008659 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.1 NCCCl CS-W013617 [1,0,0,0,0,0|1,0,0]=2 86 B3R0.1 NCCF CS-W007788 [1,0,0,0,0,0|1,0,0]=2 87 B3R0.1 NCCO CS-0088236 [1,0,0,0,0,0|1,0,0]=2 88 B3R0.1 NCCS CS-2800 [1,0,0,0,0,0|1,0,0]=2 89 B3R0.1 OCCI CS-W017637 [1,0,0,0,0,0|2,0,0]=3 90 B3R0.1 OCCO CS-0015059 [1,0,0,0,0,0|2,0,0]=3 91 B3R0.1 OCCO CS-0015844 [1,0,0,0,0,0|2,0,0]=3 92 B3R0.1 OCCO CS-0676146 [1,0,0,0,0,0|2,0,0]=3 93 B3R0.1 OCCO CS-0864542 [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 OCCO CS-0907650 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 OCCO CS-0998158 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.1 OCCO CS-1053456 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.2 C=[N+](C)C CS-0132319 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.2 CB(O)O CS-W018525 [1,0,0,0,0,0|3,0,0]=4 99 B3R0.2 CC(=N)N CS-0850442 [1,0,0,0,0,0|1,0,1]=3 100 B3R0.2 CC(=O)O CS-0081928 [1,0,0,0,0,0|2,0,1]=4 101 B3R0.2 CC(=O)O CS-0144598 [1,0,0,0,0,0|2,0,1]=4 102 B3R0.2 CC(=O)O CS-0646220 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.2 CC(=O)O CS-0886556 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.2 CC(=O)O CS-W013740 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.2 CC(=O)O CS-W019776 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.2 CC(=O)[O-] CS-0084981 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.2 CC(C)C CS-0035161 [1,0,0,0,0,0|0,0,0]=1 108 B3R0.2 CC(C)N CS-0154205 [1,0,0,0,0,0|0,0,0]=1 109 B3R0.2 CC(C)N CS-0182206 [1,0,0,0,0,0|0,0,0]=1 110 B3R0.2 CC(N)=O CS-0015934 [1,0,0,0,0,0|1,0,1]=3 111 B3R0.2 CC(N)=S CS-W018499 [1,0,0,0,0,0|1,0,1]=3 112 B3R0.2 CN(C)C CS-0204256 [1,0,0,0,0,0|1,0,0]=2 113 B3R0.2 CN(C)C CS-D1390 [1,0,0,0,0,0|1,0,0]=2 114 B3R0.2 CS(C)=O CS-B1637 [1,0,0,0,0,0|2,0,0]=3 115 B3R0.2 C[Cr](C)C CS-0137821 [1,0,0,0,0,0|1,0,0]=2 116 B3R0.2 C[In](C)C CS-0111736 [1,0,0,0,0,0|1,0,0]=2 117 B3R0.2 C[S+](C)Br CS-0311610 [1,0,0,0,0,0|2,0,0]=3 118 B3R0.2 C[S+](C)C CS-0128440 [1,0,0,0,0,0|1,0,0]=2 119 B3R0.2 C[S+](C)C CS-W008974 [1,0,0,0,0,0|1,0,0]=2 120 B3R0.2 N=C(N)Cl CS-0099930 [1,0,0,0,0,0|2,0,1]=4 121 B3R0.2 N=C(N)N CS-0014812 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.2 N=C(N)N CS-0015157 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.2 N=C(N)N CS-0158502 [1,0,0,0,0,0|2,0,1]=4 124 B3R0.2 N=C(N)N CS-0214056 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 N=C(N)N CS-2056 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.2 NC(=S)[S-] CS-0187303 [1,0,0,0,0,0|2,0,1]=4 127 B3R0.2 NC(N)=O CS-0653234 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.2 NC(N)=O CS-B1800 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,1,0,0,0,0|2,0,0]=3 130 B5R0.1 CC(=O)CCCl CS-W022162 [0,1,0,0,0,0|2,0,1]=4 131 B5R0.1 CC(=O)CCN CS-0209803 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.1 CC(=O)NCO CS-0061075 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.1 CC(=O)OCBr CS-0090812 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.1 CC(=O)OCCl CS-0139458 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.1 CC(C)=CCCl CS-0204351 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.1 CC(C)=CCN CS-0236946 [0,1,0,0,0,0|0,0,1]=2 137 B5R0.1 CC(C)=CCO CS-W013751 [0,1,0,0,0,0|1,0,1]=3 138 B5R0.1 CC(C)CNN CS-0067938 [0,1,0,0,0,0|0,0,0]=1 139 B5R0.1 CC(C)CON CS-0136014 [0,1,0,0,0,0|0,0,0]=1 140 B5R0.1 CC(C)\C=N\O CS-W000111 [0,1,0,0,0,0|0,0,2]=3 141 B5R0.1 CC(N)CCO CS-W004841 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.1 CC(O)CC#N CS-0261013 [0,1,0,0,0,0|1,0,1]=3 143 B5R0.1 CC(O)CCBr CS-0142519 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.1 CC(O)CCO CS-0115644 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 CCC[C@@H](C)N CS-0162182 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.1 CCC[C@H](C)N CS-W006528 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.1 CCOC(C)=N CS-W008601 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CN(C)CCBr CS-W004693 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.1 CN(C)NC=O CS-M2144 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.1 CNCC(=O)O CS-W013507 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.1 CNCC(=O)O CS-W018511 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CNCC(C)O CS-0216704 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.1 CNCC(N)=O CS-W011178 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.1 COC[C@@H](C)N CS-W019198 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 COC[C@H](C)N CS-0148795 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.1 CSCS(C)=O CS-0146450 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.1 C[AlH3](C)[Ti][Ti][Ti] CS-0146120 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.1 C[C@@H](N)CC#N CS-0127883 [0,1,0,0,0,0|1,0,1]=3 160 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 C[C@@H](O)CCO CS-M1638 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 C[C@H](N)CC#N CS-0127884 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.1 C[C@H](N)CCO CS-W019851 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.1 C[C@H](O)CCO CS-W016671 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 N=C(O)CCN CS-W007497 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.1 NCCC(=O)O CS-0668359 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.1 NCCC(=O)O CS-W020126 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.1 NCCS(=O)O CS-6985 [0,1,0,0,0,0|3,0,0]=4 169 B5R0.1 NOCC(=O)O CS-8158 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.1 OCCC(F)F CS-0185412 [0,1,0,0,0,0|3,0,0]=4 171 B5R0.3 C=C(CCl)CCl CS-W011177 [0,1,0,0,0,0|1,0,2]=4 172 B5R0.3 C=C(CO)CO CS-W009247 [0,1,0,0,0,0|1,0,2]=4 173 B5R0.3 C=CC(O)CO CS-W016675 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.3 CC(CBr)CBr CS-0154074 [0,1,0,0,0,0|1,0,0]=2 177 B5R0.3 CC(CCl)CBr CS-0204235 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.3 CC(CN)CO CS-0447291 [0,1,0,0,0,0|0,0,0]=1 179 B5R0.3 CC(CO)CBr CS-0139638 [0,1,0,0,0,0|1,0,0]=2 180 B5R0.3 CC(CO)CO CS-0021060 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.3 CCC(=O)CBr CS-0131119 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.3 CCC(=O)CN CS-W005374 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.3 CCC(=O)CO CS-W005327 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.3 CCC(=O)NC CS-0179730 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.3 CCC(=O)NN CS-0206618 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.3 CCC(Br)CC CS-0015742 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.3 CCC(C)C#N CS-0648856 [0,1,0,0,0,0|0,0,2]=3 188 B5R0.3 CCC(C)C#N CS-0649016 [0,1,0,0,0,0|0,0,2]=3 189 B5R0.3 CCC(C)C#N CS-0649019 [0,1,0,0,0,0|0,0,2]=3 190 B5R0.3 CCC(N)C#N CS-0197521 [0,1,0,0,0,0|1,0,2]=4 191 B5R0.3 CCC(N)CC CS-0128806 [0,1,0,0,0,0|2,0,0]=3 192 B5R0.3 CCC(O)CC CS-0128838 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.3 CCC(O)CN CS-0109319 [0,1,0,0,0,0|1,0,0]=2 194 B5R0.3 CCS(=O)CC CS-0199213 [0,1,0,0,0,0|3,0,0]=4 195 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,1,0,0,0,0|1,0,0]=2 196 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.3 CC[C@H](C)CO CS-0139702 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.3 CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,0,0,0,0|2,0,0]=3 200 B5R0.3 CNC(=N)NN CS-0371525 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 CNC(=O)CBr CS-0023001 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 CNC(=O)CCl CS-W007769 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 CNC(=O)CI CS-0244983 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.3 CNC(=O)CN CS-0008246 [0,1,0,0,0,0|1,0,1]=3 205 B5R0.3 CNC(=O)CN CS-0130384 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.3 CNC(C)CO CS-0197105 [0,1,0,0,0,0|1,0,0]=2 207 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.3 CN[C@H](C)CO CS-0162211 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.3 COC(=N)CCl CS-0150960 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.3 COC(=O)CI CS-0235696 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.3 COC(=O)CN CS-W018508 [0,1,0,0,0,0|1,0,1]=3 213 B5R0.3 COC(=O)CO CS-W004068 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.3 COC(=O)NN CS-0015902 [0,1,0,0,0,0|2,0,1]=4 215 B5R0.3 COC(C)C#N CS-0372147 [0,1,0,0,0,0|0,0,2]=3 216 B5R0.3 CON(C)C=O CS-0128675 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,1,0,0,0,0|0,0,0]=1 218 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.3 CO[C@H](C)CN CS-0148788 [0,1,0,0,0,0|0,0,0]=1 220 B5R0.3 CO[C@H](C)CN CS-0613352 [0,1,0,0,0,0|0,0,0]=1 221 B5R0.3 CO[C@H](C)CO CS-W011349 [0,1,0,0,0,0|1,0,0]=2 222 B5R0.3 CSC(=N)NN CS-0105940 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.3 CSC(=S)NN CS-0033768 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,0,0,0,0|1,0,0]=2 225 B5R0.3 NC(CO)CO CS-W007357 [0,1,0,0,0,0|2,0,0]=3 226 B5R0.3 NC(CO)CO CS-W011141 [0,1,0,0,0,0|2,0,0]=3 227 B5R0.3 NCC(=O)O[Na] CS-W016662 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.3 NCC(O)CCl CS-W006320 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.3 NCC(O)CN CS-W007600 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.3 NCC(O)CO CS-W002040 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,1,0,0,0,0|1,0,0]=2 232 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,1,0,0,0,0|1,0,0]=2 233 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.3 NNC(=O)CCl CS-0199719 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.3 NNC(=O)CO CS-W006527 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.3 O=C(CBr)CBr CS-W020932 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.3 O=C(CO)CO CS-W019614 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.3 O=CC(O)CO CS-0102543 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.3 OC(CBr)CBr CS-W014808 [0,1,0,0,0,0|2,0,0]=3 242 B5R0.3 OCC(Cl)CO CS-0640889 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.3 OCC(O)CBr CS-W018026 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.3 OCC(O)CO CS-6964 [0,1,0,0,0,0|2,0,0]=3 245 B5R0.3 OCC(O)CS CS-W011288 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.3 OCC(S)CS CS-0013059 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,1,0,0,0,0|2,0,0]=3 248 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,1,0,0,0,0|1,0,0]=2 250 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.4 C#CC(C)(C)Cl CS-W013692 [0,1,0,0,0,0|1,0,1]=3 252 B5R0.4 CC(C)(Br)C#N CS-0100471 [0,1,0,0,0,0|0,0,2]=3 253 B5R0.4 CC(C)(C)C#N CS-0017904 [0,1,0,0,0,0|0,0,2]=3 254 B5R0.4 CC(C)(C)CN CS-0996828 [0,1,0,0,0,0|0,0,0]=1 255 B5R0.4 CC(C)(C)CN CS-W019134 [0,1,0,0,0,0|0,0,0]=1 256 B5R0.4 CC(C)(C)NN CS-W004055 [0,1,0,0,0,0|1,0,0]=2 257 B5R0.4 CC(C)(C)NO CS-0130269 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.4 CC(C)(C)NO CS-W022903 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.4 CC(C)(C)ON CS-W004243 [0,1,0,0,0,0|1,0,0]=2 260 B5R0.4 CC(C)(Cl)CCl CS-0186289 [0,1,0,0,0,0|1,0,0]=2 261 B5R0.4 CC(C)(F)CBr CS-0154615 [0,1,0,0,0,0|1,0,0]=2 262 B5R0.4 CC(C)(F)CN CS-0060975 [0,1,0,0,0,0|0,0,0]=1 263 B5R0.4 CC(C)(F)CO CS-D1107 [0,1,0,0,0,0|1,0,0]=2 264 B5R0.4 CC(C)(N)C#N CS-W005215 [0,1,0,0,0,0|0,0,2]=3 265 B5R0.4 CC(C)(N)CN CS-0058986 [0,1,0,0,0,0|0,0,0]=1 266 B5R0.4 CC(C)(N)CO CS-0129831 [0,1,0,0,0,0|1,0,0]=2 267 B5R0.4 CC(C)(N)CO CS-W013743 [0,1,0,0,0,0|1,0,0]=2 268 B5R0.4 CC(C)(O)CBr CS-0139635 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.4 CC(C)(O)CCl CS-0030576 [0,1,0,0,0,0|1,0,0]=2 270 B5R0.4 CC(C)(O)CN CS-W008799 [0,1,0,0,0,0|0,0,0]=1 271 B5R0.4 CC(C)(O)CO CS-W005057 [0,1,0,0,0,0|1,0,0]=2 272 B5R0.4 CC(C)(S)CN CS-0140693 [0,1,0,0,0,0|0,0,0]=1 273 B5R0.4 CC(F)(F)CN CS-0028374 [0,1,0,0,0,0|1,0,0]=2 274 B5R0.4 CCC(C)(C)Br CS-0204230 [0,1,0,0,0,0|1,0,0]=2 275 B5R0.4 CCS(C)(=O)=O CS-0197307 [0,1,0,0,0,0|3,0,0]=4 276 B5R0.4 CC[N+](C)(C)C CS-0153899 [0,1,0,0,0,0|2,0,0]=3 277 B5R0.4 CS(=O)(=O)NN CS-W022771 [0,1,0,0,0,0|3,0,0]=4 278 B5R0.4 C[Si](C)(C)CI CS-0067163 [0,1,0,0,0,0|1,1,0]=3 279 B5R0.4 C[Si](C)(C)O[K] CS-0006201 [0,1,0,0,0,0|2,1,0]=4 280 B5R0.4 FC(F)(F)CI CS-D1740 [0,1,0,0,0,0|3,0,0]=4 281 B5R0.4 NCC(F)(F)F CS-W013336 [0,1,0,0,0,0|2,0,0]=3 282 B5R0.4 NCP(=O)(O)O CS-0085750 [0,1,0,0,0,0|3,0,0]=4 283 B5R0.4 NCS(=O)(=O)O CS-W016624 [0,1,0,0,0,0|3,0,0]=4 284 B5R0.4 OCC(Cl)(Cl)Cl CS-0013285 [0,1,0,0,0,0|3,0,0]=4 285 B5R0.5 C=C(C)C(N)=O CS-0031911 [0,1,0,0,0,0|0,0,3]=4 286 B5R0.5 CC(=O)C(C)Br CS-0130132 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.5 CC(=O)C(C)N CS-0105630 [0,1,0,0,0,0|1,0,1]=3 288 B5R0.5 CC(=O)C(F)F CS-0121252 [0,1,0,0,0,0|2,0,1]=4 289 B5R0.5 CC(=O)N(C)C CS-W023195 [0,1,0,0,0,0|2,0,1]=4 290 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [0,1,0,0,0,0|1,0,1]=3 291 B5R0.5 CC(Br)C(N)=O CS-0139914 [0,1,0,0,0,0|1,0,1]=3 292 B5R0.5 CC(C)=C(C)Br CS-0188281 [0,1,0,0,0,0|1,0,2]=4 293 B5R0.5 CC(C)B(O)O CS-W004088 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.5 CC(C)C(=N)N CS-0120122 [0,1,0,0,0,0|0,0,1]=2 295 B5R0.5 CC(C)C(N)=O CS-W019979 [0,1,0,0,0,0|0,0,1]=2 296 B5R0.5 CC(F)C(=O)O CS-0180920 [0,1,0,0,0,0|2,0,1]=4 297 B5R0.5 CC(N)C(=O)O CS-0022544 [0,1,0,0,0,0|2,0,1]=4 298 B5R0.5 CC(N)C(C)O CS-0217255 [0,1,0,0,0,0|1,0,0]=2 299 B5R0.5 CC(N)C(N)=O CS-0186552 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.5 CC(O)C(=O)O CS-0013338 [0,1,0,0,0,0|2,0,1]=4 301 B5R0.5 CC(O)C(=O)O CS-0031116 [0,1,0,0,0,0|2,0,1]=4 302 B5R0.5 CC(O)C(=O)O CS-0310546 [0,1,0,0,0,0|2,0,1]=4 303 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,1,0,0,0,0|2,0,1]=4 304 B5R0.5 CC(O)C(C)O CS-0099502 [0,1,0,0,0,0|2,0,0]=3 305 B5R0.5 CC(O)C(N)=O CS-0068194 [0,1,0,0,0,0|1,0,1]=3 306 B5R0.5 CN(C)C(=N)N CS-0036167 [0,1,0,0,0,0|1,0,1]=3 307 B5R0.5 CN(C)C(=N)N CS-0151357 [0,1,0,0,0,0|1,0,1]=3 308 B5R0.5 CN(C)C(N)=O CS-0132397 [0,1,0,0,0,0|1,0,1]=3 309 B5R0.5 CN(C)C(N)=S CS-0231074 [0,1,0,0,0,0|1,0,1]=3 310 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,1,0,0,0,0|2,0,1]=4 311 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [0,1,0,0,0,0|1,0,1]=3 312 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [0,1,0,0,0,0|2,0,1]=4 313 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,1,0,0,0,0|1,0,1]=3 316 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [0,1,0,0,0,0|2,0,0]=3 317 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [0,1,0,0,0,0|2,0,1]=4 318 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [0,1,0,0,0,0|1,0,1]=3 319 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [0,1,0,0,0,0|2,0,1]=4 320 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [0,1,0,0,0,0|1,0,1]=3 322 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [0,1,0,0,0,0|1,0,1]=3 323 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [0,1,0,0,0,0|2,0,1]=4 324 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [0,1,0,0,0,0|1,0,1]=3 325 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.5 NC(=O)C(F)F CS-0109914 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.5 NC(O)C(=O)O CS-0380752 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.5 OC(O)C(Cl)Cl CS-0210531 [0,1,0,0,0,0|3,0,0]=4 330 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [0,1,0,0,0,0|2,0,1]=4 331 B5R1.2 BrC1CCC1 CS-0044363 [0,0,0,1,0,0|2,0,0]=3 332 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,1,0,0|1,0,0]=2 333 B5R1.2 BrC1COC1 CS-D1251 [0,0,0,1,0,0|2,0,0]=3 334 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,1,0,0|2,0,0]=3 335 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|0,0,0]=1 336 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,1,0,0|2,0,0]=3 337 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,1,0,0|1,0,0]=2 338 B5R1.2 FC1CNC1 CS-W001606 [0,0,0,1,0,0|1,0,0]=2 339 B5R1.2 IC1COC1 CS-W017022 [0,0,0,1,0,0|2,0,0]=3 340 B5R1.2 NC1CCC1 CS-0006655 [0,0,0,1,0,0|2,0,0]=3 341 B5R1.2 NC1CNC1 CS-W022573 [0,0,0,1,0,0|1,0,0]=2 342 B5R1.2 NC1COC1 CS-W018946 [0,0,0,1,0,0|2,0,0]=3 343 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,1,0,0|2,0,0]=3 344 B5R1.2 O=C1CNC1 CS-W019264 [0,0,0,1,0,0|1,0,1]=3 345 B5R1.2 O=C1COC1 CS-M1912 [0,0,0,1,0,0|2,0,1]=4 346 B5R1.2 O=C1CSC1 CS-B0978 [0,0,0,1,0,0|2,0,1]=4 347 B5R1.2 OC1CCC1 CS-W013758 [0,0,0,1,0,0|2,0,0]=3 348 B5R1.2 OC1CNC1 CS-0084651 [0,0,0,1,0,0|1,0,0]=2 349 B5R1.2 OC1CNC1 CS-D0673 [0,0,0,1,0,0|1,0,0]=2 350 B5R1.2 OC1COC1 CS-W007362 [0,0,0,1,0,0|2,0,0]=3 351 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,1,0,0|2,0,0]=3 352 B5R1.3 BrCC1CC1 CS-W020194 [0,0,0,1,0,0|1,0,0]=2 353 B5R1.3 CNC1CC1 CS-W019814 [0,0,0,1,0,0|2,0,0]=3 354 B5R1.3 ClCC1CS1 CS-0232950 [0,0,0,1,0,0|2,0,0]=3 355 B5R1.3 ICC1CC1 CS-0056033 [0,0,0,1,0,0|1,0,0]=2 356 B5R1.3 NCC1CC1 CS-0132848 [0,0,0,1,0,0|0,0,0]=1 357 B5R1.3 NNC1CC1 CS-B1049 [0,0,0,1,0,0|1,0,0]=2 358 B5R1.3 NNC1CC1 CS-W000619 [0,0,0,1,0,0|1,0,0]=2 359 B5R1.3 OCC1CO1 CS-0016001 [0,0,0,1,0,0|2,0,0]=3 360 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,0,1,0,0|1,0,0]=2 361 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [0,0,0,1,0,0|1,0,0]=2 362 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [0,0,0,1,0,0|1,0,0]=2 363 B5R1.5 CC1(N)CC1 CS-W003769 [0,0,0,1,0,0|2,0,0]=3 364 B2R0.1 BrCI CS-0188364 [2,0,0,0,0,0|2,0,0]=4 365 B2R0.1 CNC CS-0214151 [2,0,0,0,0,0|1,0,0]=3 366 B2R0.1 CNN CS-W022891 [2,0,0,0,0,0|1,0,0]=3 367 B2R0.1 CNO CS-W007348 [2,0,0,0,0,0|2,0,0]=4 368 B2R0.1 CON CS-W020192 [2,0,0,0,0,0|1,0,0]=3 369 B2R0.1 C[BiH]C CS-0085798 [2,0,0,0,0,0|1,0,0]=3 370 B2R0.1 C[Pd]C CS-1098490 [2,0,0,0,0,0|1,0,0]=3 371 B2R0.1 C[Pd]C CS-W002072 [2,0,0,0,0,0|1,0,0]=3 372 B2R0.1 C[SnH2]C CS-0199194 [2,0,0,0,0,0|1,0,0]=3 373 B2R0.1 ClCI CS-0015110 [2,0,0,0,0,0|2,0,0]=4 374 B2R0.1 N=CN CS-0214067 [2,0,0,0,0,0|1,0,1]=4 375 B2R0.1 N=CN CS-0214153 [2,0,0,0,0,0|1,0,1]=4 376 B2R0.1 N=CN CS-W007673 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.2 BrCCCI CS-0199040 [1,1,0,0,0,0|1,0,0]=3 378 B4R0.2 C#CCCBr CS-0147245 [1,1,0,0,0,0|1,0,1]=4 379 B4R0.2 C#CCCI CS-0088596 [1,1,0,0,0,0|1,0,1]=4 380 B4R0.2 C#CCCN CS-0059198 [1,1,0,0,0,0|0,0,1]=3 381 B4R0.2 C#CCCO CS-W001947 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.2 C#CCNN CS-0934814 [1,1,0,0,0,0|0,0,2]=4 383 B4R0.2 C#CCON CS-B1211 [1,1,0,0,0,0|0,0,2]=4 384 B4R0.2 C=CCCI CS-0139149 [1,1,0,0,0,0|1,0,1]=4 385 B4R0.2 C=CCCN CS-0028781 [1,1,0,0,0,0|0,0,1]=3 386 B4R0.2 C=CCNN CS-0465740 [1,1,0,0,0,0|0,0,2]=4 387 B4R0.2 C=CCON CS-0010194 [1,1,0,0,0,0|0,0,2]=4 388 B4R0.2 CC#CCN CS-0307944 [1,1,0,0,0,0|0,0,1]=3 389 B4R0.2 CC#CCO CS-B1382 [1,1,0,0,0,0|1,0,1]=4 390 B4R0.2 CCCCN CS-0214149 [1,1,0,0,0,0|0,0,0]=2 391 B4R0.2 CCCNN CS-0152064 [1,1,0,0,0,0|0,0,0]=2 392 B4R0.2 CCNC=O CS-0187584 [1,1,0,0,0,0|1,0,1]=4 393 B4R0.2 CCNCC CS-0160324 [1,1,0,0,0,0|1,0,0]=3 394 B4R0.2 CCOC=N CS-0333913 [1,1,0,0,0,0|0,0,2]=4 395 B4R0.2 CNCC#N CS-W002073 [1,1,0,0,0,0|0,0,2]=4 396 B4R0.2 CNCCBr CS-0042068 [1,1,0,0,0,0|1,0,0]=3 397 B4R0.2 CNCCCl CS-W019383 [1,1,0,0,0,0|1,0,0]=3 398 B4R0.2 CNCCO CS-0542090 [1,1,0,0,0,0|1,0,0]=3 399 B4R0.2 CNCCO CS-W008875 [1,1,0,0,0,0|1,0,0]=3 400 B4R0.2 COCC#N CS-0128800 [1,1,0,0,0,0|0,0,2]=4 401 B4R0.2 COCCBr CS-0015336 [1,1,0,0,0,0|1,0,0]=3 402 B4R0.2 COCCI CS-0139205 [1,1,0,0,0,0|1,0,0]=3 403 B4R0.2 COCCO CS-0179325 [1,1,0,0,0,0|1,0,0]=3 404 B4R0.2 COCCO CS-0200432 [1,1,0,0,0,0|1,0,0]=3 405 B4R0.2 CSCCN CS-0063136 [1,1,0,0,0,0|0,0,0]=2 406 B4R0.2 CSCCO CS-0150086 [1,1,0,0,0,0|1,0,0]=3 407 B4R0.2 CSCSC CS-W013673 [1,1,0,0,0,0|2,0,0]=4 408 B4R0.2 ClCCCI CS-W018493 [1,1,0,0,0,0|1,0,0]=3 409 B4R0.2 FCCCI CS-0121313 [1,1,0,0,0,0|1,0,0]=3 410 B4R0.2 ICCCI CS-W012156 [1,1,0,0,0,0|1,0,0]=3 411 B4R0.2 N#CCCI CS-0243866 [1,1,0,0,0,0|0,0,2]=4 412 B4R0.2 N#CCCN CS-D1507 [1,1,0,0,0,0|0,0,1]=3 413 B4R0.2 N#CCCO CS-W001263 [1,1,0,0,0,0|0,0,2]=4 414 B4R0.2 NCCCBr CS-W008585 [1,1,0,0,0,0|0,0,0]=2 415 B4R0.2 NCCCCl CS-0015792 [1,1,0,0,0,0|0,0,0]=2 416 B4R0.2 NCCCN CS-0214047 [1,1,0,0,0,0|0,0,0]=2 417 B4R0.2 NCCCN CS-0214116 [1,1,0,0,0,0|0,0,0]=2 418 B4R0.2 NCCCO CS-W020089 [1,1,0,0,0,0|0,0,0]=2 419 B4R0.2 NCCON CS-M2746 [1,1,0,0,0,0|1,0,0]=3 420 B4R0.2 NOCCO CS-W011361 [1,1,0,0,0,0|1,0,0]=3 421 B4R0.2 OCCCBr CS-W007337 [1,1,0,0,0,0|1,0,0]=3 422 B4R0.2 OCCCF CS-0170820 [1,1,0,0,0,0|1,0,0]=3 423 B4R0.2 OCCCI CS-W015993 [1,1,0,0,0,0|1,0,0]=3 424 B4R0.2 OCCCO CS-W018490 [1,1,0,0,0,0|1,0,0]=3 425 B4R0.3 CC(C)(C)N CS-0161392 [1,1,0,0,0,0|0,0,0]=2 426 B4R0.3 CN(C)(C)=O CS-0063748 [1,1,0,0,0,0|1,0,0]=3 427 B4R0.3 CP(C)(=O)O CS-0772300 [1,1,0,0,0,0|2,0,0]=4 428 B4R0.3 CS(C)(=N)=O CS-W000747 [1,1,0,0,0,0|1,0,1]=4 429 B4R0.3 CS(C)(=O)=O CS-0017786 [1,1,0,0,0,0|2,0,0]=4 430 B4R0.3 CS(N)(=O)=O CS-W020062 [1,1,0,0,0,0|2,0,0]=4 431 B4R0.3 C[N+](C)(C)C CS-0146412 [1,1,0,0,0,0|1,0,0]=3 432 B4R0.3 C[N+](C)(C)C CS-0179507 [1,1,0,0,0,0|1,0,0]=3 433 B4R0.3 C[N+](C)(C)C CS-0185871 [1,1,0,0,0,0|1,0,0]=3 434 B4R0.3 C[N+](C)(C)C CS-0188513 [1,1,0,0,0,0|1,0,0]=3 435 B4R0.3 C[N+](C)(C)C CS-0212442 [1,1,0,0,0,0|1,0,0]=3 436 B4R0.3 C[N+](C)(C)C CS-0528869 [1,1,0,0,0,0|1,0,0]=3 437 B4R0.3 C[N+](C)(C)C CS-W018526 [1,1,0,0,0,0|1,0,0]=3 438 B4R0.3 C[N+](C)(C)C CS-W020924 [1,1,0,0,0,0|1,0,0]=3 439 B4R0.3 C[N+](C)(C)[O-] CS-0031514 [1,1,0,0,0,0|1,0,0]=3 440 B4R0.3 C[Pt](C)(C)C CS-0105950 [1,1,0,0,0,0|1,0,0]=3 441 B4R0.3 C[Pt](C)(C)I CS-0085768 [1,1,0,0,0,0|1,0,0]=3 442 B4R0.3 C[S+](C)(C)=O CS-0097768 [1,1,0,0,0,0|1,0,0]=3 443 B4R0.3 C[S+](C)(C)=O CS-W018549 [1,1,0,0,0,0|1,0,0]=3 444 B4R0.3 C[Ti](C)(Cl)Cl CS-0026546 [1,1,0,0,0,0|2,0,0]=4 445 B4R0.3 C[Zr](C)(Cl)Cl CS-0020515 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.1 C=CCC(N)CO CS-0197807 [0,2,0,0,0,0|2,0,0]=4 447 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.1 CC(CO)CCN CS-0154050 [0,2,0,0,0,0|0,0,0]=2 449 B6R0.1 CC(CO)CCO CS-0517219 [0,2,0,0,0,0|1,0,0]=3 450 B6R0.1 CCCC(Cl)CC CS-0102884 [0,2,0,0,0,0|2,0,0]=4 451 B6R0.1 CCCC(O)CO CS-0017222 [0,2,0,0,0,0|2,0,0]=4 452 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,2,0,0,0,0|2,0,0]=4 453 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,2,0,0,0,0|2,0,0]=4 454 B6R0.1 CCOC(=O)CN CS-W020007 [0,2,0,0,0,0|1,0,1]=4 455 B6R0.1 CCOC(C)CC CS-0196425 [0,2,0,0,0,0|1,0,0]=3 456 B6R0.1 CNC(C)COC CS-0301311 [0,2,0,0,0,0|1,0,0]=3 457 B6R0.1 CNCC(O)CO CS-0151017 [0,2,0,0,0,0|1,0,0]=3 458 B6R0.1 COC(=O)CCN CS-W007648 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.1 COC(C)CCO CS-W013686 [0,2,0,0,0,0|1,0,0]=3 460 B6R0.1 COCC(N)CO CS-0106469 [0,2,0,0,0,0|2,0,0]=4 461 B6R0.1 COCC(O)CN CS-0106474 [0,2,0,0,0,0|1,0,0]=3 462 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.1 OCCC(O)CO CS-0008443 [0,2,0,0,0,0|2,0,0]=4 464 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,2,0,0,0,0|2,0,0]=4 465 B6R0.1 [C@H](O)(CCl)CC#N CS-W016583 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.2 CC(C)CB(O)O CS-W000978 [0,2,0,0,0,0|1,0,0]=3 471 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,2,0,0,0,0|1,0,0]=3 473 B6R0.2 CC(C)CC(N)=S CS-0642935 [0,2,0,0,0,0|0,0,0]=2 474 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [0,2,0,0,0,0|1,0,0]=3 475 B6R0.2 CC(C)NC(C)C CS-0468828 [0,2,0,0,0,0|1,0,0]=3 476 B6R0.2 CC(C)NC(C)C CS-B1708 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.2 CC(C)NC(N)=O CS-0162822 [0,2,0,0,0,0|0,0,1]=3 478 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,2,0,0,0,0|0,0,1]=3 480 B6R0.2 CC(Cl)CN(C)C CS-0128777 [0,2,0,0,0,0|1,0,0]=3 481 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,2,0,0,0,0|2,0,0]=4 482 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,2,0,0,0,0|2,0,0]=4 483 B6R0.2 CC(O)CC(C)O CS-0377993 [0,2,0,0,0,0|2,0,0]=4 484 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,2,0,0,0,0|1,0,0]=3 485 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,2,0,0,0,0|2,0,0]=4 486 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,2,0,0,0,0|2,0,0]=4 487 B6R0.2 CN(C)CC(N)=S CS-W021439 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.2 C[C@@H](N)CN(C)C CS-0159973 [0,2,0,0,0,0|1,0,0]=3 489 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [0,2,0,0,0,0|1,0,0]=3 490 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,2,0,0,0,0|2,0,0]=4 492 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,2,0,0,0,0|2,0,0]=4 493 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,2,0,0,0,0|2,0,0]=4 497 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,2,0,0,0,0|2,0,0]=4 498 B6R0.3 C#CC(O)C(C)C CS-0207469 [0,2,0,0,0,0|1,0,0]=3 499 B6R0.3 C=C(I)[C@H](C)CI CS-M3569 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.3 CC(C)C(=N)NO CS-0008651 [0,2,0,0,0,0|0,0,1]=3 503 B6R0.3 CC(C)C(=N)NO CS-W011311 [0,2,0,0,0,0|0,0,1]=3 504 B6R0.3 CC(C)C(=O)CBr CS-0020096 [0,2,0,0,0,0|1,0,0]=3 505 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,2,0,0,0,0|0,0,1]=3 506 B6R0.3 CC(C)C(=O)O[K] CS-0196930 [0,2,0,0,0,0|1,0,1]=4 507 B6R0.3 CC(C)C(=O)O[Na] CS-0040347 [0,2,0,0,0,0|1,0,1]=4 508 B6R0.3 CC(C)C(N)C#N CS-0255764 [0,2,0,0,0,0|0,0,0]=2 509 B6R0.3 CC(C)C(N)CO CS-W004906 [0,2,0,0,0,0|0,0,0]=2 510 B6R0.3 CC(C)C(O)CN CS-0129685 [0,2,0,0,0,0|0,0,0]=2 511 B6R0.3 CC(C)S(=O)O[Na] CS-M3052 [0,2,0,0,0,0|2,0,0]=4 512 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,2,0,0,0,0|0,0,0]=2 513 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,2,0,0,0,0|0,0,0]=2 514 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,2,0,0,0,0|1,0,1]=4 515 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,2,0,0,0,0|0,0,1]=3 516 B6R0.3 CCC(=O)N(C)C CS-W001248 [0,2,0,0,0,0|2,0,0]=4 517 B6R0.3 CCC(=S)N(C)C CS-0160405 [0,2,0,0,0,0|2,0,0]=4 518 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,2,0,0,0,0|1,0,1]=4 519 B6R0.3 CCC(C)B(O)O CS-W011315 [0,2,0,0,0,0|2,0,0]=4 520 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,2,0,0,0,0|1,0,1]=4 521 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,2,0,0,0,0|1,0,1]=4 522 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,2,0,0,0,0|1,0,1]=4 523 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,2,0,0,0,0|1,0,1]=4 524 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,2,0,0,0,0|1,0,0]=3 528 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,2,0,0,0,0|2,0,0]=4 529 B6R0.3 CN(C)C(=O)CCl CS-0008654 [0,2,0,0,0,0|2,0,0]=4 530 B6R0.3 CN(C)C(=O)CI CS-0239613 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,2,0,0,0,0|1,0,0]=3 532 B6R0.3 CN(C)C(=O)CN CS-B0440 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.3 CN(C)C(=O)CN CS-W003959 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,2,0,0,0,0|2,0,0]=4 535 B6R0.3 CN(C)C(=S)NN CS-0151362 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.3 CNC(=O)C(C)N CS-0154032 [0,2,0,0,0,0|1,0,1]=4 537 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.3 CNC(C)C(C)C CS-W000156 [0,2,0,0,0,0|0,0,0]=2 541 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,2,0,0,0,0|1,0,1]=4 542 B6R0.3 COC(=O)C(C)N CS-W011040 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,2,0,0,0,0|1,0,1]=4 544 B6R0.3 COC(C)C(=O)O CS-W004806 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,2,0,0,0,0|1,0,1]=4 546 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,2,0,0,0,0|0,0,1]=3 547 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,2,0,0,0,0|0,0,1]=3 548 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,2,0,0,0,0|0,0,1]=3 549 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,2,0,0,0,0|0,0,1]=3 550 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,2,0,0,0,0|1,0,1]=4 554 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,2,0,0,0,0|1,0,1]=4 555 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,2,0,0,0,0|1,0,1]=4 558 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,2,0,0,0,0|1,0,0]=3 563 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,2,0,0,0,0|1,0,0]=3 565 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,2,0,0,0,0|1,0,1]=4 566 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,2,0,0,0,0|1,0,1]=4 567 B6R0.4 C=CCCC(C)O CS-0513969 [0,2,0,0,0,0|2,0,0]=4 568 B6R0.4 CC(=O)OCCN CS-0657679 [0,2,0,0,0,0|1,0,1]=4 569 B6R0.4 CC(Br)CCCBr CS-0204659 [0,2,0,0,0,0|2,0,0]=4 570 B6R0.4 CC(C)=CCCBr CS-0155165 [0,2,0,0,0,0|1,0,1]=4 571 B6R0.4 CC(C)CCCBr CS-0154233 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.4 CC(C)CCCO CS-W007511 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.4 CC(C)NCCCl CS-W006300 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.4 CC(C)NCCN CS-0199017 [0,2,0,0,0,0|0,0,0]=2 575 B6R0.4 CC(C)NCCO CS-0076304 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.4 CC(C)OCCBr CS-W018660 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.4 CC(O)CCCO CS-0154051 [0,2,0,0,0,0|2,0,0]=4 578 B6R0.4 CCCC[C@@H](C)O CS-0179419 [0,2,0,0,0,0|2,0,0]=4 579 B6R0.4 CCCC[C@H](C)O CS-0179420 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.4 CCNCC(C)C CS-0071534 [0,2,0,0,0,0|0,0,0]=2 581 B6R0.4 CN(C)CCCBr CS-W003771 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.4 CN(C)CCCCl CS-W004690 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.4 CN(C)CCCCl CS-W019575 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.4 CN(C)CCCN CS-0214111 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.4 CN(C)CCON CS-0145225 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.4 CNCCC(C)C CS-0039334 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.4 CNCCN(C)C CS-W022914 [0,2,0,0,0,0|1,0,0]=3 588 B6R0.4 CS(=O)CCCN CS-0286765 [0,2,0,0,0,0|2,0,0]=4 589 B6R0.4 C[C@@H](N)CCCO CS-0634445 [0,2,0,0,0,0|2,0,0]=4 590 B6R0.4 C[C@H](N)CCCO CS-0652529 [0,2,0,0,0,0|2,0,0]=4 591 B6R0.5 C=CC[N+](C)(C)C CS-0158034 [0,2,0,0,0,0|2,0,0]=4 592 B6R0.5 CC(C)(C)CCBr CS-B0401 [0,2,0,0,0,0|1,0,0]=3 593 B6R0.5 CC(C)(C)CCO CS-W013693 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.5 CC(C)(F)CCN CS-0061673 [0,2,0,0,0,0|0,0,0]=2 595 B6R0.5 CC(C)(N)CCO CS-W004889 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.5 CC(C)(O)CC#N CS-0154614 [0,2,0,0,0,0|0,0,1]=3 597 B6R0.5 CC(C)(O)CCBr CS-W018816 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.5 CC(C)(O)CCN CS-0043489 [0,2,0,0,0,0|0,0,0]=2 599 B6R0.5 CCC[N+](C)(C)C CS-0152572 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.5 CNCC(C)(C)C CS-0039440 [0,2,0,0,0,0|0,0,0]=2 601 B6R0.5 CNCC(C)(C)O CS-0038213 [0,2,0,0,0,0|0,0,0]=2 602 B6R0.5 CNCC(F)(F)F CS-0151016 [0,2,0,0,0,0|2,0,0]=4 603 B6R0.5 COCC(C)(C)O CS-0186349 [0,2,0,0,0,0|1,0,0]=3 604 B6R0.5 CS(=O)(=O)CCN CS-0139140 [0,2,0,0,0,0|2,0,0]=4 605 B6R0.5 CS(=O)(=O)CCN CS-W003121 [0,2,0,0,0,0|2,0,0]=4 606 B6R0.5 CSCC(C)(C)N CS-0107363 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.5 C[N+](C)(C)CCBr CS-W012688 [0,2,0,0,0,0|2,0,0]=4 608 B6R0.5 C[N+](C)(C)CCCl CS-W008900 [0,2,0,0,0,0|2,0,0]=4 609 B6R0.5 C[N+](C)(C)CCN CS-0204825 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.5 C[N+](C)(C)CCO CS-0017216 [0,2,0,0,0,0|2,0,0]=4 611 B6R0.5 C[N+](C)(C)CCO CS-0097842 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.5 C[N+](C)(C)CCO CS-0185855 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.5 C[N+](C)(C)CCO CS-4855 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.5 C[N+](C)(C)CCS CS-0528621 [0,2,0,0,0,0|2,0,0]=4 615 B6R0.5 C[P+](C)(C)CC#N CS-0700502 [0,2,0,0,0,0|1,0,1]=4 616 B6R0.5 C[Si](C)(C)CC#N CS-0120673 [0,2,0,0,0,0|0,1,1]=4 617 B6R0.5 C[Si](C)(C)CCBr CS-0239787 [0,2,0,0,0,0|1,1,0]=4 618 B6R0.5 C[Si](C)(C)CCO CS-0015144 [0,2,0,0,0,0|1,1,0]=4 619 B6R0.5 NCCC(F)(F)F CS-W004765 [0,2,0,0,0,0|2,0,0]=4 620 B6R0.5 NNCC(F)(F)F CS-0158460 [0,2,0,0,0,0|2,0,0]=4 621 B6R0.8 C#CC(C)(N)CC CS-W003636 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.8 CC(C)(C#N)C#N CS-0098561 [0,2,0,0,0,0|0,0,2]=4 623 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,2,0,0,0,0|1,0,0]=3 624 B6R0.8 CC(C)(CBr)CBr CS-W004189 [0,2,0,0,0,0|1,0,0]=3 625 B6R0.8 CC(C)(CN)CN CS-0077143 [0,2,0,0,0,0|0,0,0]=2 626 B6R0.8 CC(C)(CN)CO CS-W008239 [0,2,0,0,0,0|0,0,0]=2 627 B6R0.8 CC(C)(CO)CBr CS-0043654 [0,2,0,0,0,0|1,0,0]=3 628 B6R0.8 CC(C)(CO)CCl CS-W011189 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.8 CC(N)(CO)CO CS-W017770 [0,2,0,0,0,0|1,0,0]=3 630 B6R0.8 CCC(C)(C)CN CS-0590202 [0,2,0,0,0,0|0,0,0]=2 631 B6R0.8 CCC(C)(C)O[K] CS-0636232 [0,2,0,0,0,0|1,0,0]=3 632 B6R0.8 CNC(C)(C)CO CS-W018699 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.8 COC(C)(C)CO CS-0146594 [0,2,0,0,0,0|1,0,0]=3 634 B6R0.8 C[Si](C)(CN)CCl CS-0618088 [0,2,0,0,0,0|0,1,0]=3 635 B6R0.8 NCC(F)(F)CN CS-0038484 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.8 NCC(F)(F)CO CS-B1180 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.8 OCC(F)(F)CO CS-0094694 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.9 CCC(CC)CBr CS-0132321 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.9 CCC(CC)NN CS-0210677 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.9 CCN(CC)CC CS-0152028 [0,2,0,0,0,0|2,0,0]=4 641 B6R0.9 CCN(CC)CC CS-0187700 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.9 CCN(CC)CC CS-0199232 [0,2,0,0,0,0|2,0,0]=4 643 B6R0.9 COC(CBr)OC CS-W018536 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.9 COC(CN)OC CS-0015304 [0,2,0,0,0,0|0,0,0]=2 645 B6R0.9 COC(CO)OC CS-W011294 [0,2,0,0,0,0|1,0,0]=3 646 B6R0.9 OCC(CO)CO CS-W005889 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.7 CC(=O)C(C)(C)Br CS-0197854 [0,2,0,0,0,0|1,0,1]=4 648 B6R0.7 CC(=O)C(C)(C)O CS-W016644 [0,2,0,0,0,0|1,0,1]=4 649 B6R0.7 CC(C)(Br)C(=O)Br CS-0008515 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.7 CC(C)(Br)C(=O)O CS-W017850 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.7 CC(C)(Br)C(N)=O CS-W004757 [0,2,0,0,0,0|0,0,1]=3 652 B6R0.7 CC(C)(C)C(=N)N CS-W005597 [0,2,0,0,0,0|0,0,1]=3 653 B6R0.7 CC(C)(C)C(=O)O CS-D1464 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.7 CC(C)(C)C(=O)[O-] CS-0035148 [0,2,0,0,0,0|1,0,1]=4 655 B6R0.7 CC(C)(C)C(=O)[O-] CS-0198961 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.7 CC(C)(C)S(N)=O CS-W008628 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.7 CC(C)(C)[N+](=O)[O-] CS-0128805 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.7 CC(C)(C)[S@@](N)=O CS-B0438 [0,2,0,0,0,0|1,0,0]=3 659 B6R0.7 CC(C)(C)[S@](N)=O CS-W018485 [0,2,0,0,0,0|1,0,0]=3 660 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,2,0,0,0,0|1,0,1]=4 661 B6R0.7 CC(C)(N)C(=O)O CS-B0930 [0,2,0,0,0,0|1,0,1]=4 662 B6R0.7 CC(C)(N)C(N)=O CS-0205637 [0,2,0,0,0,0|0,0,1]=3 663 B6R0.7 CC(C)(O)C(=N)N CS-0036093 [0,2,0,0,0,0|0,0,1]=3 664 B6R0.7 CC(C)(O)C(=O)O CS-W016640 [0,2,0,0,0,0|1,0,1]=4 665 B6R0.7 CC(C)(O)C(N)=O CS-0154975 [0,2,0,0,0,0|0,0,1]=3 666 B6R0.7 CC(C)S(C)(=N)=O CS-0620992 [0,2,0,0,0,0|1,0,1]=4 667 B6R0.7 CC(C)S(N)(=O)=O CS-W005008 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.7 CC(C)[B-](F)(F)F CS-W022936 [0,2,0,0,0,0|2,0,0]=4 669 B6R0.7 CC(F)(F)C(N)=O CS-0243269 [0,2,0,0,0,0|1,0,1]=4 670 B6R0.7 CC(N)C(F)(F)F CS-0022346 [0,2,0,0,0,0|2,0,0]=4 671 B6R0.7 CC(N)C(F)(F)F CS-W000651 [0,2,0,0,0,0|2,0,0]=4 672 B6R0.7 CN(C)S(N)(=O)=O CS-W011181 [0,2,0,0,0,0|2,0,0]=4 673 B6R0.7 C[C@@H](N)C(C)(C)C CS-0141302 [0,2,0,0,0,0|0,0,0]=2 674 B6R0.7 C[C@H](N)C(F)(F)F CS-0034931 [0,2,0,0,0,0|2,0,0]=4 675 B6R0.7 C[C@H](O)C(F)(F)F CS-0130643 [0,2,0,0,0,0|2,0,0]=4 676 B6R0.7 [C@H](C)(N)C(F)(F)F CS-W006413 [0,2,0,0,0,0|2,0,0]=4 677 B4R1.1 C1CNC1 CS-W011344 [1,0,0,1,0,0|0,0,0]=2 678 B4R1.2 IC1CC1 CS-0197833 [1,0,0,1,0,0|1,0,0]=3 679 B4R1.2 NC1CC1 CS-0697476 [1,0,0,1,0,0|0,0,0]=2 680 B4R1.2 OC1CC1 CS-0059134 [1,0,0,1,0,0|1,0,0]=3 681 B6R1.2 BrC1CCNC1 CS-W005728 [0,1,0,1,0,0|1,0,0]=3 682 B6R1.2 BrC1CCOC1 CS-W004035 [0,1,0,1,0,0|2,0,0]=4 683 B6R1.2 CC1CCNC1 CS-W021968 [0,1,0,1,0,0|0,0,0]=2 684 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,1,0,1,0,0|1,0,0]=3 685 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,1,0,1,0,0|0,0,0]=2 686 B6R1.2 FC1CCNC1 CS-W005668 [0,1,0,1,0,0|1,0,0]=3 687 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,1,0,1,0,0|1,0,0]=3 688 B6R1.2 IC1CCCC1 CS-0067150 [0,1,0,1,0,0|2,0,0]=4 689 B6R1.2 IC1CCOC1 CS-W004266 [0,1,0,1,0,0|2,0,0]=4 690 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,1,0,1,0,0|2,0,0]=4 691 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,1,0,1,0,0|2,0,0]=4 692 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,1,0,0|2,0,0]=4 693 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,1,0,0|1,0,0]=3 694 B6R1.2 NC1CCOC1 CS-D1564 [0,1,0,1,0,0|2,0,0]=4 695 B6R1.2 NC1CCOC1 CS-W011353 [0,1,0,1,0,0|2,0,0]=4 696 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,1,0,1,0,0|1,0,0]=3 697 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,1,0,0|2,0,0]=4 698 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,1,0,1,0,0|1,0,0]=3 699 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,1,0,1,0,0|2,0,0]=4 700 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,1,0,0|1,0,1]=4 701 B6R1.2 OC1CC=CC1 CS-W002682 [0,1,0,1,0,0|2,0,0]=4 702 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,1,0,0|1,0,0]=3 703 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,1,0,0|1,0,0]=3 704 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,1,0,0|2,0,0]=4 705 B6R1.2 OC1CCSC1 CS-0185375 [0,1,0,1,0,0|2,0,0]=4 706 B6R1.2 OC1CNOC1 CS-0271204 [0,1,0,1,0,0|1,0,0]=3 707 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,1,0,0|1,0,0]=3 708 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,1,0,0|1,0,0]=3 709 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,1,0,0|2,0,0]=4 710 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,1,0,0|1,0,0]=3 711 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,1,0,1,0,0|1,0,0]=3 712 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,1,0,0|2,0,0]=4 713 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,1,0,0|1,0,0]=3 714 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,1,0,0|0,0,0]=2 715 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,1,0,0|1,0,0]=3 716 B6R1.3 BrC#CC1CC1 CS-0130324 [0,1,0,1,0,0|1,0,1]=4 717 B6R1.3 BrCCC1CO1 CS-0158422 [0,1,0,1,0,0|2,0,0]=4 718 B6R1.3 CCNC1CC1 CS-0046972 [0,1,0,1,0,0|1,0,0]=3 719 B6R1.3 CNCC1CC1 CS-0045377 [0,1,0,1,0,0|0,0,0]=2 720 B6R1.3 COC[C@H]1CO1 CS-0165613 [0,1,0,1,0,0|2,0,0]=4 721 B6R1.3 ICCC1CC1 CS-0012702 [0,1,0,1,0,0|1,0,0]=3 722 B6R1.3 N#CCC1CC1 CS-0051913 [0,1,0,1,0,0|0,0,1]=3 723 B6R1.3 NCCC1CC1 CS-W006511 [0,1,0,1,0,0|0,0,0]=2 724 B6R1.3 NOCC1CC1 CS-W019324 [0,1,0,1,0,0|0,0,0]=2 725 B6R1.3 O=CNC1CC1 CS-M1370 [0,1,0,1,0,0|1,0,1]=4 726 B6R1.3 OCCC1CC1 CS-W016679 [0,1,0,1,0,0|1,0,0]=3 727 B6R1.3 OCCN1CC1 CS-W023058 [0,1,0,1,0,0|2,0,0]=4 728 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [0,1,0,1,0,0|2,0,0]=4 729 B6R1.5 CC1CC(N)C1 CS-W006905 [0,1,0,1,0,0|0,0,0]=2 730 B6R1.5 CN1CC(=O)C1 CS-0052428 [0,1,0,1,0,0|1,0,1]=4 731 B6R1.5 CN1CC(Cl)C1 CS-0504631 [0,1,0,1,0,0|1,0,0]=3 732 B6R1.5 CN1CC(O)C1 CS-0040831 [0,1,0,1,0,0|1,0,0]=3 733 B6R1.5 CN1CC(O)C1 CS-0041554 [0,1,0,1,0,0|1,0,0]=3 734 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,1,0,1,0,0|1,0,1]=4 735 B6R1.5 NC1CC(F)C1 CS-0045538 [0,1,0,1,0,0|1,0,0]=3 736 B6R1.5 NC1CC(O)C1 CS-W003832 [0,1,0,1,0,0|1,0,0]=3 737 B6R1.5 NC1CC(O)C1 CS-W020372 [0,1,0,1,0,0|1,0,0]=3 738 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [0,1,0,1,0,0|1,0,0]=3 739 B6R1.5 N[C@H]1C[C@@H](O)C1 CS-W022615 [0,1,0,1,0,0|1,0,0]=3 740 B6R1.5 N[C@H]1C[C@H](Br)C1 CS-0309496 [0,1,0,1,0,0|1,0,0]=3 741 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [0,1,0,1,0,0|1,0,0]=3 742 B6R1.5 N[C@H]1C[C@H](O)C1 CS-W023030 [0,1,0,1,0,0|1,0,0]=3 743 B6R1.5 O=C1CC(O)C1 CS-0051337 [0,1,0,1,0,0|2,0,0]=4 744 B6R1.8 C=C1CC1CO CS-0054284 [0,1,0,1,0,0|1,0,1]=4 745 B6R1.9 NC1CC1(F)F CS-W000385 [0,1,0,1,0,0|1,0,0]=3 746 B6R1.10 CC1(C)CNC1 CS-W003726 [0,1,0,1,0,0|0,0,0]=2 747 B6R1.10 CC1(F)CNC1 CS-0051364 [0,1,0,1,0,0|0,0,0]=2 748 B6R1.10 CC1(N)CCC1 CS-W021359 [0,1,0,1,0,0|1,0,0]=3 749 B6R1.10 CC1(N)COC1 CS-0045507 [0,1,0,1,0,0|1,0,0]=3 750 B6R1.10 CC1(O)CCC1 CS-0168123 [0,1,0,1,0,0|1,0,0]=3 751 B6R1.10 CC1(O)CNC1 CS-0007720 [0,1,0,1,0,0|0,0,0]=2 752 B6R1.10 CC1(O)COC1 CS-W005276 [0,1,0,1,0,0|1,0,0]=3 753 B6R1.10 FC1(F)CNC1 CS-W001214 [0,1,0,1,0,0|1,0,0]=3 754 B6R1.11 CC(N)C1CC1 CS-0112917 [0,1,0,1,0,0|0,0,0]=2 755 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [0,1,0,1,0,0|0,0,0]=2 756 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [0,1,0,1,0,0|0,0,0]=2 757 B6R1.11 N=C(N)C1CC1 CS-W022622 [0,1,0,1,0,0|0,0,1]=3 758 B6R1.11 NC(=O)C1CC1 CS-W011356 [0,1,0,1,0,0|0,0,1]=3 759 B6R1.11 NC(=O)C1CO1 CS-0067053 [0,1,0,1,0,0|1,0,1]=4 760 B6R1.11 NC(=S)C1CC1 CS-0144906 [0,1,0,1,0,0|0,0,1]=3 761 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,1,0,1,0,0|1,0,1]=4 762 B6R1.11 OB(O)C1CC1 CS-D1018 [0,1,0,1,0,0|2,0,0]=4 763 B6R1.4 CC1OCC1=O CS-0051833 [0,1,0,1,0,0|1,0,1]=4 764 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,1,0,1,0,0|1,0,0]=3 765 B6R1.4 NC1CCC1F CS-0505919 [0,1,0,1,0,0|1,0,0]=3 766 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,1,0,1,0,0|1,0,0]=3 767 B6R1.6 BrCC1CCC1 CS-0015296 [0,1,0,1,0,0|1,0,0]=3 768 B6R1.6 BrCC1COC1 CS-W018850 [0,1,0,1,0,0|1,0,0]=3 769 B6R1.6 CNC1CCC1 CS-0054580 [0,1,0,1,0,0|1,0,0]=3 770 B6R1.6 CNC1CNC1 CS-0043910 [0,1,0,1,0,0|0,0,0]=2 771 B6R1.6 CNC1COC1 CS-0040193 [0,1,0,1,0,0|1,0,0]=3 772 B6R1.6 COC1CNC1 CS-W008894 [0,1,0,1,0,0|0,0,0]=2 773 B6R1.6 CSC1CNC1 CS-0051673 [0,1,0,1,0,0|0,0,0]=2 774 B6R1.6 FCC1CNC1 CS-0085106 [0,1,0,1,0,0|0,0,0]=2 775 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,1,0,0|1,0,0]=3 776 B6R1.6 ICC1CCO1 CS-0052227 [0,1,0,1,0,0|1,0,0]=3 777 B6R1.6 ICC1COC1 CS-0045504 [0,1,0,1,0,0|1,0,0]=3 778 B6R1.6 N#CC1CCC1 CS-0007644 [0,1,0,1,0,0|0,0,2]=4 779 B6R1.6 N#CC1CNC1 CS-W018612 [0,1,0,1,0,0|0,0,1]=3 780 B6R1.6 N#CC1COC1 CS-0043332 [0,1,0,1,0,0|0,0,2]=4 781 B6R1.6 NCC1CCC1 CS-W004986 [0,1,0,1,0,0|0,0,0]=2 782 B6R1.6 NCC1CCO1 CS-0048767 [0,1,0,1,0,0|0,0,0]=2 783 B6R1.6 NCC1CNC1 CS-W022574 [0,1,0,1,0,0|0,0,0]=2 784 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|0,0,0]=2 785 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,1,0,1,0,0|0,0,0]=2 786 B6R1.6 NNC1CCC1 CS-0054590 [0,1,0,1,0,0|1,0,0]=3 787 B6R1.6 NNC1CCC1 CS-D1710 [0,1,0,1,0,0|1,0,0]=3 788 B6R1.6 NNC1COC1 CS-0187598 [0,1,0,1,0,0|1,0,0]=3 789 B6R1.6 O=CC1COC1 CS-0048764 [0,1,0,1,0,0|1,0,1]=4 790 B6R1.6 OCC1CCC1 CS-W001922 [0,1,0,1,0,0|1,0,0]=3 791 B6R1.6 OCC1CCN1 CS-0049913 [0,1,0,1,0,0|1,0,0]=3 792 B6R1.6 OCC1CCO1 CS-W019194 [0,1,0,1,0,0|1,0,0]=3 793 B6R1.6 OCC1CNC1 CS-D1756 [0,1,0,1,0,0|0,0,0]=2 794 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,1,0,1,0,0|1,0,1]=4 795 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,1,0,1,0,0|1,0,0]=3 796 B6R1.7 CC1(CN)CC1 CS-0037189 [0,1,0,1,0,0|0,0,0]=2 797 B6R1.7 CC1(CO)CC1 CS-W000081 [0,1,0,1,0,0|1,0,0]=3 798 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,1,0,1,0,0|0,0,2]=4 799 B6R1.7 NC1(CF)CC1 CS-0139594 [0,1,0,1,0,0|1,0,0]=3 800 B6R1.7 NC1(CO)CC1 CS-0040895 [0,1,0,1,0,0|1,0,0]=3 801 B6R1.7 NC1(CO)CC1 CS-D0148 [0,1,0,1,0,0|1,0,0]=3 802 B6R1.7 NCC1(O)CC1 CS-W005471 [0,1,0,1,0,0|0,0,0]=2 803 B6R1.7 OCC1(F)CC1 CS-W000077 [0,1,0,1,0,0|1,0,0]=3 804 B6R1.7 OCC1(O)CC1 CS-0037029 [0,1,0,1,0,0|1,0,0]=3