65053864 -OEChem-04162414323D 38 40 0 1 0 0 0 0 0999 V2000 1.6650 0.5149 -1.7610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 -3.0936 0.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 -2.5381 -1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5216 1.2457 0.1503 N 0 0 2 0 0 0 0 0 0 0 0 0 1.4620 0.8902 0.7827 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8081 -0.8535 0.4089 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6801 -0.1320 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1223 -0.0822 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7613 2.0157 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 1.3672 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 1.9062 -0.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9773 -2.2292 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 1.1314 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 3.3432 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 -0.1454 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 0.1586 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -0.8793 -1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 -0.2892 1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.3105 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6491 -1.0203 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.9456 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -0.7255 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 -0.1333 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -0.5524 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4965 -0.1103 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6816 3.0227 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0206 2.1158 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8436 1.9340 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 1.4049 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 1.9777 -1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2913 3.3929 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 4.0063 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 3.7747 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 -4.0011 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 -1.1095 -2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 -0.0681 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 -1.8800 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 -1.3640 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 34 1 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > 65053864 > 0.6 > 1 27 98 173 143 71 107 118 193 176 167 194 67 59 164 195 54 192 158 178 87 63 126 150 116 62 207 185 73 66 131 110 109 186 175 50 94 137 135 10 204 20 188 174 152 160 171 141 48 138 33 32 154 189 179 42 187 129 134 191 142 83 25 65 17 123 103 86 28 112 180 84 139 88 39 60 205 124 166 201 2 34 133 91 190 78 81 206 184 148 157 183 101 169 214 177 31 151 24 105 146 23 70 125 47 3 136 127 53 80 64 77 56 153 210 100 156 162 68 29 170 93 163 44 79 182 165 198 51 200 108 38 199 69 212 168 113 147 61 211 49 197 122 96 203 35 155 172 58 159 85 111 45 92 208 90 19 89 95 117 52 145 76 104 128 74 22 161 144 213 26 181 115 82 5 106 102 202 72 21 114 75 41 55 13 119 14 209 46 36 15 130 12 120 196 16 11 37 99 18 7 9 140 132 149 30 97 4 6 8 57 43 40 121 > 22 1 -0.08 11 0.45 12 0.66 13 0.2 15 0.04 16 0.23 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 -0.15 3 -0.57 34 0.5 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.81 5 -0.57 6 0.06 7 0.27 9 0.27 > 4.2 > 8 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 3 2 3 12 anion 5 1 5 13 15 16 rings 6 15 16 17 18 19 20 rings 6 4 6 7 8 9 10 rings > 20 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 03E0A4A800000001 > 33.1117 > 40.723 > 10062212 137 18186523193840654099 10366900 7 17774150198349905276 10616163 171 18409733932651552998 11045977 3 17988917834784148728 11046707 91 18334013865302083128 11370993 144 17274546421176860290 11552529 35 17774716558180272906 12236239 1 17604159116405505772 12346177 29 18341323444737085543 12363563 72 18337954605096615967 12553582 1 18333729117591759683 12633257 1 17918283051478316705 12670546 177 13407376078445922976 12714826 92 17967808319416257597 12788726 201 18189632561332512224 12990986 174 18409166649081339978 13083527 12 17695887196834112405 13140716 1 18412263960414920833 13583140 156 15194991786730561882 13911987 19 14563687326500126518 14081887 123 18270673165316096554 14787075 74 18115873082662270692 15042514 8 18409455791307422841 15537594 2 18040723523854743170 16752209 62 18115293467882196085 17492 89 18195247951925616131 17804303 29 18413392016527182329 17977361 122 18260264131606746187 1813 80 17603874351673361142 18186145 218 12252182939945746924 18915474 69 18114470036746497086 19141452 34 18272933817210313971 200 152 16371295415989059780 20281475 54 18335422399816237468 20291156 8 18333733549892448967 20600515 1 18271536311750929941 21452121 199 18336542845394429348 21634736 98 18114190764956374268 21650355 55 18412259502334020849 21713013 43 15357985611172553931 23184049 29 18266740362616170101 232386 152 18335706056662708317 23366157 5 18044663241553035013 23402539 116 18200584801210212909 23557571 272 18200881677585777252 23559900 14 18270686368546821916 23598288 3 17896338955667672933 23728640 28 18410858737847819331 339767 52 18260821601129150114 351380 3 17822296751678465274 465052 167 17969809491415065113 5281201 14 12685099142366147874 5385378 56 17763474920404223625 5486654 36 18187657950265519075 559249 180 17969216729212530833 568465 68 17346881147858262724 5902787 121 18410858788791619956 5924683 9 17774991432277676695 602551 16 18340205194240875898 7970288 3 18262238944564051171 > 393.74 9.52 2.94 1.3 4.49 0.24 0.14 5.12 -1.89 -3.63 0.11 1.12 0.22 -0.45 > 828.433 > 223.7 > 2 5 10 $$$$