7161 -OEChem-10091907263D 31 31 0 0 0 0 0 0 0999 V2000 -1.7582 -2.8488 0.4730 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2692 2.7950 -0.4314 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.8852 0.4968 1.1767 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 0.3150 -0.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5075 -0.5289 -0.9723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9345 -1.6435 -0.9141 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 0.7342 0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5683 0.1602 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1429 -0.2845 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 1.1940 0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 0.2948 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -0.4820 -0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 -0.2965 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 -1.2888 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 0.9563 -0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 1.2208 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 -1.0244 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 0.2303 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 1.0705 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 1.6268 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 -0.1880 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6063 -0.7083 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 -0.6024 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -1.1609 0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 2.0611 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3501 1.5423 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 0.7614 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 1.1695 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.6015 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7915 1.7232 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2665 -1.7983 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 M END > 7161 > 0.8 > 1 42 115 65 156 86 317 179 127 128 178 263 174 95 197 28 155 337 111 122 7 244 307 26 216 107 252 211 232 92 233 229 34 63 236 205 32 35 167 339 110 336 223 191 11 333 343 72 125 94 221 182 301 60 276 157 269 146 250 62 200 172 314 192 305 90 251 239 170 290 58 8 85 187 264 105 321 277 341 166 89 18 24 53 31 76 298 212 222 202 273 272 41 114 258 281 152 295 104 84 19 247 328 2 143 139 302 66 309 241 124 190 67 148 81 25 320 99 286 246 119 296 71 15 193 136 79 294 204 96 201 91 342 226 234 287 284 69 270 150 214 259 88 153 103 59 121 243 240 163 268 177 344 238 93 101 220 54 319 208 151 141 129 123 5 303 6 116 138 102 112 113 135 45 43 297 188 185 180 49 46 327 207 55 299 52 292 194 242 164 315 74 318 184 50 291 140 186 326 161 280 22 189 237 12 213 97 219 64 56 120 47 288 145 183 306 260 27 16 171 267 227 40 323 29 87 249 289 334 196 51 316 106 255 98 147 181 265 160 293 48 75 257 206 14 338 199 3 44 245 253 132 329 77 37 274 17 68 159 230 38 228 331 61 36 126 10 235 275 217 149 224 131 70 134 137 21 311 78 168 324 231 215 100 158 57 346 165 195 278 209 312 80 23 82 203 345 13 144 109 261 225 117 266 262 169 4 279 256 33 304 142 283 198 30 271 325 248 335 282 285 154 308 340 173 9 218 162 20 73 118 254 310 130 322 300 176 133 39 332 175 313 330 210 83 108 > 17 1 -0.18 11 0.34 12 0.66 13 0.08 14 0.18 15 -0.15 16 0.18 17 -0.15 18 0.18 2 -0.18 3 -0.18 30 0.15 31 0.15 4 -0.43 5 -0.36 6 -0.57 9 0.28 > 7 > 4 1 10 hydrophobe 1 5 acceptor 1 6 acceptor 6 13 14 15 16 17 18 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001BF900000001 > 33.9025 > 20.305 > 10 15 18334859437442170472 106641 1 18272376403886540531 11315181 36 17821727273284966100 12403259 415 18268159656249929661 12507560 40 18339366257930925287 12596602 18 17967811613856705464 12616971 3 17023184968192126870 12760667 363 11674879983278712293 12916754 54 8718529636816496767 13288520 33 8646770001797355235 13403585 85 18409166610305308432 13668630 136 13334730229061264352 1420 363 13334734622865503168 14341114 176 18408605838633074376 14350574 20 11746937598696576534 14844126 61 18116436032204502435 14849402 71 17532378754845528908 14933364 13 18410293632237617944 15042514 8 18116447002125735555 15348495 7 18340199817411287728 15501527 16 18342457032371786496 15716309 27 16660640770098501504 17780758 139 17749670782869036667 1813 80 15792021025988200750 18335252 98 15410898492052983007 19784866 170 18413388722540045246 20281389 69 18342454838208130792 20510252 161 18339651027801789913 20645477 56 18411419501383104005 20645477 70 17059786507384141806 20871999 31 11240000019364393491 21307412 95 9006761061695174657 21637258 2 14924233776237176171 220451 1 17821725045067423114 22224240 67 18410290337248700202 23198884 109 13830133901495678308 23402539 116 18333726952896788991 23559900 14 18193012434427779638 2916195 48 18341611490613072513 3545911 37 18342744000796116294 5104073 3 18116721716264038865 5364581 5 18121494915526990544 5924683 9 18268988855083985263 59755656 520 16056879139175719999 > 358.43 16.53 2.19 0.98 30.88 0.3 -0.07 -8.07 -6.9 -2.84 0.03 -0.21 -0.01 1.16 > 698.997 > 218.5 > 2 5 10 $$$$