65276887 -OEChem-04262409313D 34 35 0 1 0 0 0 0 0999 V2000 2.6345 -1.6008 1.4618 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0932 2.4212 0.6704 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 -2.1113 0.2929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 -0.3967 -0.5634 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -0.3963 0.8308 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -1.9416 -0.6790 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6861 -0.7840 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -3.2702 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 1.1982 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 -1.3537 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 2.5680 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2829 -0.0228 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9027 -0.4622 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 0.1021 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 1.0600 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7155 0.6207 1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 2.9877 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3121 1.3819 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -1.7515 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 -2.8033 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -4.0829 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -3.2013 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 -3.5475 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 0.9877 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 1.2529 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 2.5481 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 3.3213 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -0.2637 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 -1.0453 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 1.6526 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 0.8693 2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 2.9895 -1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 2.3240 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9419 3.9999 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 M END > 65276887 > 0.6 > 1 199 114 99 298 329 290 440 198 320 122 296 344 293 156 59 49 361 217 433 348 286 264 275 406 356 244 426 139 77 87 237 315 367 364 40 79 97 211 268 371 322 78 112 90 103 214 81 187 216 276 178 441 287 413 109 108 163 262 58 175 304 297 300 302 254 188 373 378 166 153 235 32 120 164 184 113 69 366 321 392 209 24 280 183 76 309 202 104 160 380 377 363 144 338 331 439 83 336 230 86 349 168 292 46 204 140 54 267 271 229 347 277 396 117 67 223 259 213 278 325 368 263 417 256 402 284 383 389 369 246 36 404 63 333 313 339 415 138 62 359 435 48 143 186 123 430 219 159 53 241 126 386 258 266 43 362 3 393 328 357 147 317 15 390 418 21 201 354 92 343 234 243 405 50 177 135 207 226 384 307 102 376 191 55 192 197 35 419 225 121 252 161 89 155 412 398 352 221 312 96 220 372 33 409 432 16 327 208 169 17 382 157 45 353 408 255 71 236 105 238 385 422 248 387 283 311 14 218 438 106 162 350 85 400 288 150 431 23 185 146 269 421 423 427 154 22 194 399 260 257 18 170 346 179 281 411 52 111 206 231 420 107 25 20 137 249 95 299 190 303 365 44 148 391 88 19 273 37 130 434 250 424 133 31 245 247 332 205 75 7 4 381 200 394 212 196 429 118 319 379 403 57 30 65 227 158 119 13 428 128 9 295 182 341 335 47 334 132 84 265 289 11 251 291 176 306 172 416 93 100 261 232 222 101 131 358 8 397 360 310 115 82 323 167 279 38 270 324 142 125 285 66 189 388 74 407 151 210 314 410 253 174 240 195 274 41 375 136 318 425 64 308 129 10 282 294 29 305 301 224 330 337 233 127 395 12 414 165 181 203 437 342 28 72 374 436 94 134 42 340 351 68 180 145 6 242 272 124 60 171 110 141 228 326 215 149 80 355 51 116 239 401 152 27 34 91 370 2 61 26 73 5 316 345 193 173 70 39 56 98 > 20 1 0.18 10 0.46 12 -0.15 13 -0.15 14 0.34 15 -0.15 16 -0.15 18 0.19 2 -0.19 20 0.4 28 0.15 29 0.15 3 -0.85 30 0.15 31 0.15 4 -0.57 5 -0.51 6 0.51 7 -0.14 9 0.18 > 5 > 6 1 17 hydrophobe 1 3 donor 3 3 4 10 cation 3 4 5 14 cation 5 1 4 5 10 14 rings 6 7 12 13 15 16 18 rings > 18 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 03E40BD700000001 > 26.2499 > 30.678 > 10366900 7 17458352922158153866 11640471 11 18412254030387040422 11725454 13 16880447322109422991 12173636 292 18271523195157561311 12403259 327 17314522417768727507 12633257 1 17677052317678678345 12788726 201 18126271168025723983 128993 33 18263371437345087868 13083527 12 17390262495861192851 13583140 156 17821723906131092987 14026960 21 18335992982395827785 14123250 116 18266741461774084165 14251764 75 18339098058772979905 15342168 16 18339086986668141133 15775835 57 18334580161156100598 17357990 137 18341612560297423138 18219364 16 18259981552781132133 18981168 100 18057032721679282328 192875 21 18198598043263465181 20304884 271 18340772649324827398 20449540 30 18195241346128232415 20621476 13 17615401468191703789 20645476 183 18342455928618153327 20671657 1 18408880733361256430 21041028 32 17468752992503522170 21475661 188 17609776397127468949 21524375 3 18335417946114746311 21665062 11 18190175690085105098 21864079 5 18412832394978223504 22094290 62 18335697213673159770 22182937 141 18267313194962168561 22749437 52 18195798790050079336 23227448 37 18270406125761423477 23419403 2 15725874711625388019 23557571 272 17344894429168406314 27216 239 18261682578979025777 4409770 3 14524833492898448327 474 4 18197216949796381809 5048184 11 18336833103452887132 526903 126 17907012133770330304 7097593 13 18115012018628011738 74978 22 18411978083328697398 7615 1 18190441926555253338 7832392 63 18411418436421105686 > 352.06 7.2 3.4 1.29 1.44 0.24 0.16 4.72 0.35 0.08 -0.2 -0.34 -0.18 -1.58 > 720.498 > 207.6 > 2 5 10 $$$$