AS1-0101 Accord 12161109172D 9 9 0 0 0 0 0 0 0 0999 V2000 5.6699 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 5.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8702 5.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 3 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 1 2 1 0 0 0 0 6 8 1 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 M END > AS1-0101 > C6H7NO2 > 125.126997 > 2703-17-5 > Methyl 1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g > 50g > 100g $$$$ AS1-0102 Accord 12161109172D 8 8 0 0 0 0 0 0 0 0999 V2000 5.6699 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 5.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 2 3 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 M END > AS1-0102 > C5H5NO2 > 111.099998 > 3/3/931 > 1H-Pyrrole-3-carboxylic acid > 1g > 5g > 10g > 25g > 50g > 100g $$$$ AS1-0201 Accord 12161109172D 15 15 0 0 0 0 0 0 0 0999 V2000 5.6699 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1207 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 5.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8702 5.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 6.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2927 8.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0775 8.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 9.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 7 8 2 0 0 0 0 3 4 1 0 0 0 0 7 9 1 0 0 0 0 4 5 2 0 0 0 0 9 10 1 0 0 0 0 5 1 1 0 0 0 0 10 11 1 0 0 0 0 2 3 2 0 0 0 0 6 12 2 0 0 0 0 5 6 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 4 7 1 0 0 0 0 14 15 1 0 0 0 0 M END > AS1-0201 > C10H13NO4 > 211.216995 > 25472-60-0 > Diethyl 1H-pyrrole-2,3-dicarboxylate > 1g > 5g $$$$ AS1-0202 Accord 12161109172D 16 16 0 0 0 0 0 0 0 0999 V2000 5.6699 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1207 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 5.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2927 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6799 8.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0775 8.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 9.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0343 9.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8702 5.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 3 4 1 0 0 0 0 8 9 2 0 0 0 0 4 5 2 0 0 0 0 8 10 1 0 0 0 0 5 1 1 0 0 0 0 10 11 1 0 0 0 0 2 3 2 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 4 7 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 M END > AS1-0202 > C11H15NO4 > 225.243995 > 25472-44-0 > Ethyl 2-((ethoxycarbonyl)-methyl)-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g $$$$ AS1-0211 Accord 12161109172D 10 10 0 0 0 0 0 0 0 0999 V2000 6.7197 8.3575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3052 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1302 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3857 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1705 8.1276 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8205 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1563 5.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 2 3 2 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 2 0 0 0 0 3 4 1 0 0 0 0 7 9 1 0 0 0 0 4 5 2 0 0 0 0 9 10 1 0 0 0 0 M END > AS1-0211 > C6H6BrNO2 > 204.027994 > 16420-39-6 > Methyl 5-bromo-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g $$$$ AS1-1101 Accord 12161109172D 12 12 0 0 0 0 0 0 0 0999 V2000 5.7127 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2982 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 8.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 8.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 5.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4283 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 5.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 6 8 2 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 9 10 2 0 0 0 0 5 1 1 0 0 0 0 9 11 1 0 0 0 0 2 3 2 0 0 0 0 11 12 1 0 0 0 0 M END > AS1-1101 > C8H9NO3 > 167.163996 > 126481-00-3 > Methyl 1-acetyl-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g > 50g $$$$ AS1-1103 Accord 12161109172D 16 16 0 0 0 0 0 0 0 0999 V2000 5.7127 8.1856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 7.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2982 6.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 6.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 7.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 9.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 9.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 6.2493 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 5.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0925 5.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2755 6.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 6.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 5.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 8 2 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 9 10 2 0 0 0 0 5 1 1 0 0 0 0 9 11 1 0 0 0 0 2 3 2 0 0 0 0 9 12 1 0 0 0 0 1 6 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 7 1 0 0 0 0 11 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 M END > AS1-1103 > C10H16NO4P > 245.214996 > 942206-35-1 > Diethyl 1-acetyl-1H-pyrrol-3-yl-3-phosphonate > 1g > 5g > 10g $$$$ AS1-1202 Accord 12161109172D 19 19 0 0 0 0 0 0 0 0999 V2000 5.7127 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2982 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 8.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 8.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 5.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4283 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 5.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 8.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0538 9.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1202 8.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2923 9.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 9.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 1 1 0 0 0 0 9 10 2 0 0 0 0 2 3 2 0 0 0 0 9 11 1 0 0 0 0 1 6 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 7 1 0 0 0 0 1 2 1 0 0 0 0 6 8 2 0 0 0 0 3 4 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > AS1-1202 > C13H17NO5 > 267.280994 > 942205-97-2 > Ethyl 2-((ethoxycarbonyl)-methyl)-1-acetyl-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g > 50g $$$$ AS1-2101 Accord 12161109172D 19 20 0 0 0 0 0 0 0 0999 V2000 5.8262 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4157 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 8.5149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8238 9.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 8.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 9.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 10.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 10.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 10.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 9.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 11.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7254 5.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3896 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0306 5.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 2 0 0 0 0 7 10 2 0 0 0 0 5 1 1 0 0 0 0 10 11 1 0 0 0 0 2 3 2 0 0 0 0 11 12 2 0 0 0 0 1 6 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 7 1 0 0 0 0 6 7 1 0 0 0 0 12 15 1 0 0 0 0 1 2 1 0 0 0 0 3 16 1 0 0 0 0 6 8 2 0 0 0 0 16 17 2 0 0 0 0 3 4 1 0 0 0 0 16 18 1 0 0 0 0 6 9 2 0 0 0 0 18 19 1 0 0 0 0 M END > AS1-2101 > C13H13NO4S > 279.313994 > 212071-00-6 > Methyl 1-tosyl-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g > 50g > 100g $$$$ AS1-2211 Accord 12161109172D 20 21 0 0 0 0 0 0 0 0999 V2000 7.1207 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7848 7.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 7.6899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4600 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 8.5149 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 8.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 8.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 5.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0142 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1705 5.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6552 5.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 9.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1623 9.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 10.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4461 10.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 10.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 9.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4449 11.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 M END > AS1-2211 > C13H12BrNO4S > 358.21499 > 881673-79-6 > Methyl 5-bromo-1-tosyl-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g $$$$ AS1-3101 Accord 12161109172D 16 16 0 0 0 0 0 0 0 0999 V2000 5.7162 8.3575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1308 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 6.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2797 5.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 9.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 9.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 9.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 10.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2528 10.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 11.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6028 10.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 4 5 2 0 0 0 0 1 10 1 0 0 0 0 5 1 1 0 0 0 0 10 11 2 0 0 0 0 2 3 2 0 0 0 0 10 12 1 0 0 0 0 3 6 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 7 2 0 0 0 0 13 15 1 0 0 0 0 1 2 1 0 0 0 0 13 16 1 0 0 0 0 M END > AS1-3101 > C11H15NO4 > 225.243995 > 952182-27-3 > Methyl 1-boc-1H-pyrrole-3-carboxylate > 1g > 5g > 10g > 25g > 50g > 100g $$$$ AS1-3211 Accord 12161109172D 17 17 0 0 0 0 0 0 0 0999 V2000 7.1207 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 7.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7848 7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 8.3575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.1276 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4496 9.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1705 6.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0142 5.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7345 9.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 9.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1623 10.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9873 10.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 11.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3373 10.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > AS1-3211 > C11H14BrNO4 > 304.144992 > 1146081-31-3 > 1-Tert-butyl 3-methyl 5-bromo-1H-pyrrole-1,3-dicarboxylate > 1g > 5g > 10g > 25g $$$$ AS5-0001 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 6.4301 7.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 5.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1415 7.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 7.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 5.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2865 6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2817 7.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 7.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9936 7.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5768 8.2030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7056 7.9079 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4105 6.7791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 5.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0000 6.2381 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7135 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 8 9 1 0 0 0 0 4 1 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 2 15 1 0 0 0 0 9 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 3 6 2 0 0 0 0 11 14 1 0 0 0 0 6 7 1 0 0 0 0 1 2 2 0 0 0 0 7 8 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 M CHG 2 15 1 16 -1 M END > AS5-0001 > C10H5F3N2O2 > 242.155994 > 868662-62-8 > 2-(Trifluoromethyl)-6-nitroquinoline > 1g > 5g > 10g > 25g $$$$ AS5-0002 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 6.4308 6.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4296 5.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 5.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 7.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 5.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 5.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 5.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2824 6.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 7.0681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 7.7899 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7063 7.4948 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4111 6.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 5 4 2 0 0 0 0 8 9 1 0 0 0 0 4 1 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 3 6 2 0 0 0 0 11 14 1 0 0 0 0 6 7 1 0 0 0 0 2 15 1 0 0 0 0 1 2 2 0 0 0 0 15 16 3 0 0 0 0 M END > AS5-0002 > C11H5F3N2 > 222.168994 > 868662-64-0 > 2-(Trifluoromethyl)quinoline-6-carbonitrile > 1g > 5g > 10g > 25g $$$$ AS5-0003 Accord 12161109172D 19 20 0 0 0 0 0 0 0 0999 V2000 6.4322 8.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 7.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1453 7.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 8.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8584 8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 7.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 7.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2885 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2837 8.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5683 8.7181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 7.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 7.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 6.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9957 8.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5788 9.4399 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7076 9.1448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 8.0160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 2 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 3 6 2 0 0 0 0 13 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 1 2 2 0 0 0 0 9 16 1 0 0 0 0 7 8 2 0 0 0 0 16 17 1 0 0 0 0 5 4 2 0 0 0 0 16 18 1 0 0 0 0 8 9 1 0 0 0 0 16 19 1 0 0 0 0 M END > AS5-0003 > C13H10F3NO2 > 269.221993 > 952182-49-9 > Ethyl 2-(trifluoromethyl)-quinoline-6-carboxylate > 1g > 5g > 10g > 25g $$$$ AS5-0004 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 5.7141 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 7.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 5.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1415 7.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 7.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 5.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2865 6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2817 7.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 7.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9936 7.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5768 8.2030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7056 7.9079 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4105 6.7791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 1 3 1 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 10 11 2 0 0 0 0 6 9 2 0 0 0 0 11 12 1 0 0 0 0 1 2 2 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 8 7 2 0 0 0 0 12 14 1 0 0 0 0 7 4 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 4 5 2 0 0 0 0 14 17 1 0 0 0 0 1 5 1 0 0 0 0 M END > AS5-0004 > C11H6F3NO2 > 241.167993 > 952182-51-3 > 2-(Trifluoromethyl)-quinoline-6-carboxylic acid > 1g > 5g > 10g > 25g $$$$ AS5-0005 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 5.7160 6.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1430 5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 5.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5675 6.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 6.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2795 6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8627 7.3786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 7.0835 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6963 5.9547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 7 8 2 0 0 0 0 5 4 2 0 0 0 0 8 9 1 0 0 0 0 4 1 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 9 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 6 2 0 0 0 0 12 14 1 0 0 0 0 6 7 1 0 0 0 0 12 15 1 0 0 0 0 M END > AS5-0005 > C10H7F3N2 > 212.173994 > 952182-53-5 > 2-(Trifluoromethyl)-6-aminoquinoline > 1g > 5g > 10g > 25g $$$$ AS5-0006 Accord 12161109172D 18 19 0 0 0 0 0 0 0 0999 V2000 7.1450 6.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8581 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8563 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5712 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 5.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9965 6.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 6.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2916 7.3786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4204 7.0835 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1253 5.9547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 5.0007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7155 6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 2 15 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M END > AS5-0006 > C12H9F3N2O > 254.210993 > 914202-42-9 > N-[2-(Trifluoromethyl)-6-quinolinyl]acetamide > 1g > 5g > 10g > 25g $$$$ AS5-0021 Accord 12161109172D 19 20 0 0 0 0 0 0 0 0999 V2000 7.8579 6.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8567 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2841 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2849 5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9997 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7142 5.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7094 6.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9940 6.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4214 6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0045 7.3786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1333 7.0835 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8382 5.9547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 6.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 7.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 6.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 3 6 2 0 0 0 0 11 14 1 0 0 0 0 6 7 1 0 0 0 0 1 15 1 0 0 0 0 1 2 2 0 0 0 0 15 16 2 0 0 0 0 7 8 2 0 0 0 0 15 17 1 0 0 0 0 5 4 2 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 M END > AS5-0021 > C13H10F3NO2 > 269.221993 > 952182-55-7 > Ethyl 2-(trifluoromethyl)-quinoline-7-carboxylate > 1g > 5g > 10g $$$$ AS5-0022 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 6.4289 6.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2853 5.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2805 6.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5651 6.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9924 6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5756 7.3786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7044 7.0835 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4093 5.9547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 6.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 7.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M END > AS5-0022 > C11H6F3NO2 > 241.167993 > 868662-63-9 > 2-(Trifluoromethyl)-quinoline-7-carboxylic acid > 1g > 5g > 10g $$$$ AS5-0041 Accord 12161109172D 17 19 0 0 0 0 0 0 0 0999 V2000 5.4840 5.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 6.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9815 6.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6964 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 5.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 5.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1218 6.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 6.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8338 6.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 7.3787 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 7.0836 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2506 5.9548 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 6.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 2 0 0 0 0 6 5 2 0 0 0 0 9 10 1 0 0 0 0 5 2 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 10 12 1 0 0 0 0 3 4 1 0 0 0 0 12 13 1 0 0 0 0 6 7 1 0 0 0 0 12 14 1 0 0 0 0 4 7 2 0 0 0 0 12 15 1 0 0 0 0 1 3 1 0 0 0 0 7 8 1 0 0 0 0 2 16 1 0 0 0 0 2 3 2 0 0 0 0 16 17 1 0 0 0 0 1 17 1 0 0 0 0 M END > AS5-0041 > C11H6F3NO2 > 241.167993 > 952182-57-9 > 6-(Trifluoromethyl)-[1,3]-dioxolo[4,5-g]quinoline > 1g > 5g > 10g > 25g $$$$ AS10-0100 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS10-0100 > C9H8N2O2 > 176.174996 > 394223-02-0 > Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS10-0101 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 7.5560 6.9206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 6.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 7.0706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 6.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1875 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 14 15 3 0 0 0 0 M END > AS10-0101 > C10H7N3O2 > 201.184996 > 952182-16-0 > Methyl 5-cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS10-0102 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 7.0653 6.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 7.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 7.3303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 7.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 7.4803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 6.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 5.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.1908 6.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4715 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8306 7.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 1 10 1 0 0 0 0 7 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 11 1 13 -1 M END > AS10-0102 > C9H7N3O4 > 221.171996 > 952182-17-1 > Methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS10-0103 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.0653 5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 6.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 1 10 1 0 0 0 0 7 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS10-0103 > C9H9N3O2 > 191.189996 > 952182-18-2 > Methyl 5-amino-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS10-0104 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5560 6.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 3 5 1 0 0 0 0 M END > AS10-0104 > C9H7ClN2O2 > 210.619995 > 952182-19-3 > Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS10-0131 Accord 12161109172D 21 22 0 0 0 0 0 0 0 0999 V2000 8.3402 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8655 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0359 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0674 9.0129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1939 8.7091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 7.5826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 3 10 1 0 0 0 0 8 14 1 0 0 0 0 5 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > AS10-0131 > C11H6F6N2O2 > 312.168991 > 1146081-29-9 > Methyl 4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS10-0144 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5560 7.3233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 6.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 7.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 6.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 7.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 7.4734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 6.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 5 1 0 0 0 0 6 14 1 0 0 0 0 M END > AS10-0144 > C9H7ClN2O2 > 210.619995 > 871583-23-2 > Methyl 4 - chloro - 1H - pyrrolo[2,3 - b]pyridine - 2 - carboxylate > 1g > 5g $$$$ AS10-0161 Accord 12161109172D 22 24 0 0 0 0 0 0 0 0999 V2000 7.5560 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8655 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0359 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2318 7.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 8.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3735 9.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5663 9.1181 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 6 10 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 2 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > AS10-0161 > C14H9F3N2O2S > 326.295992 > 1027511-29-0 > Methyl 4-(trifluoromethyl)-6-(thiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 0.25g > 1g > 5g > 10g $$$$ AS10-0162 Accord 12161109172D 22 24 0 0 0 0 0 0 0 0999 V2000 7.5560 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8655 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0359 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2318 7.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 8.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3735 9.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5663 9.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 6 14 1 0 0 0 0 8 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > AS10-0162 > C14H9F3N2O3 > 310.230992 > 1027511-30-3 > Methyl 4-(trifluoromethyl)-6-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 0.25g > 1g > 5g > 10g $$$$ AS10-0163 Accord 12161109172D 21 23 0 0 0 0 0 0 0 0999 V2000 6.7310 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2109 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 7.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 8.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5485 9.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7413 9.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 19 1 0 0 0 0 6 10 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M END > AS10-0163 > C13H7F3N2O3 > 296.203992 > 1083196-27-3 > 4-(Trifluoromethyl)-6-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid > 0.25g > 1g > 5g > 10g $$$$ AS10-0164 Accord 12161109172D 21 23 0 0 0 0 0 0 0 0999 V2000 6.7310 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2109 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 7.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 8.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5485 9.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7413 9.1181 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 19 1 0 0 0 0 6 10 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M END > AS10-0164 > C13H7F3N2O2S > 312.268992 > 1083196-28-4 > 4-(Trifluoromethyl)-6-(thiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid > 0.25g > 1g > 5g > 10g $$$$ AS10-0165 Accord 12161109172D 23 25 0 0 0 0 0 0 0 0999 V2000 8.3402 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8655 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0359 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4801 9.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1953 9.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9090 9.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9076 8.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1925 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 3 10 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > AS10-0165 > C16H11F3N2O2 > 320.269992 > 1146081-24-4 > Methyl 4-(trifluoromethyl)-6-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate > 0.25g > 1g > 5g > 10g $$$$ AS10-0166 Accord 12161109172D 22 24 0 0 0 0 0 0 0 0999 V2000 7.5152 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2109 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6551 9.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3703 9.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0841 9.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0827 8.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3675 7.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 3 10 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END > AS10-0166 > C15H9F3N2O2 > 306.242992 > 1198420-93-7 > 4-(Trifluoromethyl)-6-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid > 0.25g > 1g > 5g > 10g $$$$ AS10-0200 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 6.0694 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 7.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 8.6703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 4 5 2 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 6 7 2 0 0 0 0 10 11 1 0 0 0 0 4 1 1 0 0 0 0 10 12 2 0 0 0 0 7 8 1 0 0 0 0 11 13 1 0 0 0 0 M END > AS10-0200 > C9H8N2O2 > 176.174996 > 808137-94-2 > Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate > 1g > 5g > 10g > 25g $$$$ AS10-0201 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.0694 7.7359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 7.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 7.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 6.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 6.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 6.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 7.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 7.8860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 5.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > AS10-0201 > C8H6N2O2 > 162.147997 > 156270-06-3 > 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid > 1g > 5g > 10g > 25g $$$$ AS10-0300 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.7310 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 6.6484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 M END > AS10-0300 > C8H6N2O2 > 162.147997 > 136818-50-3 > 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid > 1g > 5g $$$$ AS10-0331 Accord 12161109172D 20 21 0 0 0 0 0 0 0 0999 V2000 7.5152 7.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 7.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 7.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 8.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 6.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2109 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 5.8296 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 7.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2424 9.0129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3689 8.7091 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0650 7.5826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 3 10 1 0 0 0 0 8 14 1 0 0 0 0 5 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M END > AS10-0331 > C10H4F6N2O2 > 298.141991 > 1146081-33-5 > 4,6-Bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid > 1g > 5g > 10g $$$$ AS10-1200 Accord 12161109172D 23 25 0 0 0 0 0 0 0 0999 V2000 6.5608 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0701 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3394 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0499 7.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7666 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7683 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 8.6703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3093 9.3060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0577 10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 9.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 9.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 10.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 11.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 11.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 12.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 6.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8499 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 10 12 2 0 0 0 0 5 6 1 0 0 0 0 10 13 2 0 0 0 0 3 5 1 0 0 0 0 11 14 2 0 0 0 0 6 7 2 0 0 0 0 14 15 1 0 0 0 0 4 1 1 0 0 0 0 15 16 2 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 2 3 2 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 8 9 2 0 0 0 0 16 19 1 0 0 0 0 9 4 1 0 0 0 0 3 20 1 0 0 0 0 20 21 2 0 0 0 0 1 10 1 0 0 0 0 20 22 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 M END > AS10-1200 > C16H14N2O4S > 330.361993 > 952182-23-9 > Methyl 1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate > 1g > 5g > 10g $$$$ AS10-1204 Accord 12161109172D 24 26 0 0 0 0 0 0 0 0999 V2000 6.5608 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0701 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3394 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0499 7.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7666 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7683 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 8.6703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3093 9.3060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0577 10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 9.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 9.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 11.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 11.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 10.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 12.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 6.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8499 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4795 7.0149 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 10 12 2 0 0 0 0 5 6 1 0 0 0 0 10 13 2 0 0 0 0 3 5 1 0 0 0 0 11 14 2 0 0 0 0 6 7 2 0 0 0 0 14 15 1 0 0 0 0 4 1 1 0 0 0 0 15 16 2 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 2 3 2 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 8 9 2 0 0 0 0 16 19 1 0 0 0 0 9 4 1 0 0 0 0 3 20 1 0 0 0 0 20 21 2 0 0 0 0 1 10 1 0 0 0 0 20 22 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 10 11 1 0 0 0 0 7 24 1 0 0 0 0 M END > AS10-1204 > C16H13ClN2O4S > 364.806992 > 952182-24-0 > Methyl 5-chloro 1-tosyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate > 1g > 5g > 10g $$$$ AS15-0100 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS15-0100 > C9H8N2O2 > 176.174996 > 394223-19-9 > Methyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g > 25g $$$$ AS15-0101 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 6.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1939 7.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 14 15 3 0 0 0 0 M END > AS15-0101 > C10H7N3O2 > 201.184996 > 942206-36-2 > Methyl 6-cyano-1H-pyrrolo-[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g > 25g $$$$ AS15-0102 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 6.6478 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4801 7.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1925 6.2341 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 2 14 1 16 -1 M END > AS15-0102 > C9H7N3O4 > 221.171996 > 1083196-32-0 > Methyl 6-nitro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS15-0103 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 6.6478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS15-0103 > C9H9N3O2 > 191.189996 > 1198420-91-5 > Methyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS15-0104 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 6.6478 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS15-0104 > C9H7ClN2O2 > 210.619995 > 1083196-33-1 > Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS15-0144 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0543 7.4734 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 5 1 0 0 0 0 9 14 1 0 0 0 0 M END > AS15-0144 > C9H7ClN2O2 > 210.619995 > 952800-36-1 > Methyl 7-chloro-1H-pyrrolo[3,2 - b]pyridine-2- carboxylate > 1g > 5g > 10g $$$$ AS15-0200 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 6.0694 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 7.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 8.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 4 5 2 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 6 7 2 0 0 0 0 10 11 1 0 0 0 0 4 1 1 0 0 0 0 10 12 2 0 0 0 0 7 8 1 0 0 0 0 11 13 1 0 0 0 0 M END > AS15-0200 > C9H8N2O2 > 176.174996 > 952800-39-4 > Methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS15-0201 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 6.0694 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 7.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 8.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9921 8.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7072 9.0810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 4 5 2 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 6 7 2 0 0 0 0 10 11 1 0 0 0 0 4 1 1 0 0 0 0 10 12 2 0 0 0 0 7 8 1 0 0 0 0 11 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 3 0 0 0 0 M END > AS15-0201 > C10H7N3O2 > 201.184996 > 959245-07-9 > Methyl 6-cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylate > 1g > 5g $$$$ AS15-0204 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 6.0694 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 7.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 8.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9921 8.6697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 4 5 2 0 0 0 0 1 2 1 0 0 0 0 5 6 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 6 7 2 0 0 0 0 10 11 1 0 0 0 0 4 1 1 0 0 0 0 10 12 2 0 0 0 0 7 8 1 0 0 0 0 11 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > AS15-0204 > C9H7ClN2O2 > 210.619995 > 959245-12-6 > Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate > 1g > 5g $$$$ AS15-0231 Accord 12161109172D 21 22 0 0 0 0 0 0 0 0999 V2000 5.5786 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 7.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 8.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4033 7.7278 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7009 6.5997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 6.3021 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5677 9.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 9.4973 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 10.3203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 9.4932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 7 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 9 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > AS15-0231 > C11H6F6N2O2 > 312.168991 > 1198475-21-6 > Methyl 5,7-bis(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS15-0261 Accord 12161109172D 22 24 0 0 0 0 0 0 0 0999 V2000 6.0694 8.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 7.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 7.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 8.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 7.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 7.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 7.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 8.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 5.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1026 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5677 9.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 9.4973 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 10.3203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 9.4932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9881 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 7.3475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0711 6.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 6.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2927 6.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 3 10 1 0 0 0 0 9 14 1 0 0 0 0 7 18 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 21 22 2 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > AS15-0261 > C14H9F3N2O2S > 326.295992 > 1027511-26-7 > Methyl 7-(trifluoromethyl)-5-(thiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS15-0300 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.7310 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9368 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 M END > AS15-0300 > C8H6N2O2 > 162.147997 > 17288-35-6 > 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid > 1g > 5g > 10g > 25g $$$$ AS15-0700 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5560 7.1221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 6.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 6.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.6238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 6.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 6.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 7.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 5.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 M END > AS15-0700 > C9H7BrN2O2 > 255.075993 > 952182-30-8 > Methyl 3-bromo-1H-pyrrolo-[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS15-1100 Accord 12161109172D 23 25 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 7.2841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 8.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5188 7.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 7.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6077 8.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3562 9.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5499 9.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 9.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2468 8.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2984 10.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 10 12 2 0 0 0 0 5 6 1 0 0 0 0 10 13 2 0 0 0 0 3 5 1 0 0 0 0 11 14 2 0 0 0 0 6 7 2 0 0 0 0 14 15 1 0 0 0 0 4 1 1 0 0 0 0 15 16 2 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 2 3 2 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 8 9 2 0 0 0 0 16 19 1 0 0 0 0 9 4 1 0 0 0 0 2 20 1 0 0 0 0 20 21 2 0 0 0 0 1 10 1 0 0 0 0 20 22 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 M END > AS15-1100 > C16H14N2O4S > 330.361993 > 952182-32-0 > Methyl 1-tosyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS15-4101 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 7.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 6.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1939 7.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 5 1 0 0 0 0 1 14 1 0 0 0 0 8 15 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 15 16 3 0 0 0 0 M END > AS15-4101 > C11H9N3O2 > 215.211996 > 952182-34-2 > Methyl 6-cyano-1-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS15-4102 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 7.5560 6.4984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 5.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 5.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 6.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2403 5.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 5.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3045 7.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 6.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4801 7.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 5 1 0 0 0 0 1 14 1 0 0 0 0 8 15 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 15 16 2 0 0 0 0 M END > AS15-4102 > C11H10N2O3 > 218.211995 > 952182-35-3 > Methyl 6-formyl-1-methyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS20-0100 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 6.3288 6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 5.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 5.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1158 6.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 5.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8346 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5467 5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6163 7.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2603 7.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS20-0100 > C9H8N2O2 > 176.174996 > 1083196-25-1 > Methyl H-pyrrolo[1,2-a]pyrimidine-6-carboxylate > 1g > 5g > 10g $$$$ AS20-0101 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.0684 6.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 5.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 5.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8555 6.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8591 5.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5743 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2864 5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2787 6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 6.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 7.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3559 7.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > AS20-0101 > C8H6N2O2 > 162.147997 > 1083196-26-2 > Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid > 1g > 5g > 10g $$$$ AS25-0200 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS25-0200 > C9H7NO2S > 193.223996 > 952182-41-1 > Methyl thieno[3,2-b]pyridine-3-carboxylate > 1g > 5g $$$$ AS25-0202 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 8.2490 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 8.7084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 9.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 8.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 2 0 0 0 0 M END > AS25-0202 > C9H6N2O4S > 238.220995 > 959245-02-4 > Methyl 6-nitrothieno[3,2-b]pyridine-3-carboxylate > 1g > 5g $$$$ AS25-0203 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 8.2490 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 8.7084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS25-0203 > C9H8N2O2S > 208.238996 > 959245-42-2 > Methyl 6-aminothieno[3,2-b]pyridine-3-carboxylate > 1g > 5g $$$$ AS25-0204 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 8.7084 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 4 1 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 3 5 1 0 0 0 0 M END > AS25-0204 > C9H6ClNO2S > 227.668995 > 952182-43-3 > Methyl 6-chlorothieno[3,2-b]pyridine-3-carboxylate > 1g > 5g $$$$ AS25-0250 Accord 12161109172D 19 21 0 0 0 0 0 0 0 0999 V2000 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 9.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 8.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 8.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 8.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 9.5502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 5 15 1 0 0 0 0 9 10 1 0 0 0 0 M END > AS25-0250 > C14H10N2O2S > 270.309994 > 959245-28-4 > Methyl 6-(pyridin-4-yl)thieno[3,2-b]pyridine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS25-0251 Accord 12161109172D 19 21 0 0 0 0 0 0 0 0999 V2000 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 8.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 8.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 9.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 9.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 8.7252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 5 15 1 0 0 0 0 9 10 1 0 0 0 0 M END > AS25-0251 > C13H9N3O2S > 271.297994 > 959245-23-9 > Methyl 6-(pyrazin-2-yl)thieno[3,2-b]pyridine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS25-0252 Accord 12161109172D 19 21 0 0 0 0 0 0 0 0999 V2000 6.8258 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 9.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 8.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 8.3044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 8.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 9.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 5 15 1 0 0 0 0 9 10 1 0 0 0 0 M END > AS25-0252 > C14H10N2O2S > 270.309994 > Methyl 6-(pyridin-2-yl)thieno[3,2-b]pyridine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS25-0400 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.8258 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 6.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 6.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 7.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 7.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 7.7318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > AS25-0400 > C8H5NO2S > 179.196996 > Thieno[3,2-b]pyridine-3-carboxylic acid > 1g > 5g $$$$ AS25-0404 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 6.8258 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 6.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 6.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 7.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 7.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 7.7318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 7.9207 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 9 10 1 0 0 0 0 5 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > AS25-0404 > C8H4ClNO2S > 213.641995 > 1146081-35-7 > 6-Chlorothieno[3,2-b]pyridine-3-carboxylic acid > 0.25g > 1g > 5g $$$$ AS25-0450 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 6.8258 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 6.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 6.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 7.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 7.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 7.7318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 8.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 7.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 8.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 9.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 5 14 1 0 0 0 0 9 10 1 0 0 0 0 M END > AS25-0450 > C13H8N2O2S > 256.282994 > 959245-38-6 > 6-(Pyridin-4-yl)thieno[3,2-b]pyridine-3-carboxylic acid > 0.25g > 1g > 5g $$$$ AS25-0451 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 6.8258 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 6.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 6.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 7.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 7.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 7.7318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 7.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 8.7456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 9.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 8.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 7.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 5 14 1 0 0 0 0 9 10 1 0 0 0 0 M END > AS25-0451 > C12H7N3O2S > 257.270995 > 959245-32-0 > 6-(Pyrazin-2-yl)thieno[3,2-b]pyridine-3-carboxylic acid > 0.25g > 1g > 5g $$$$ AS25-0452 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 6.8258 7.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8314 6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 6.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 6.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 7.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 7.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 7.7318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 7.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 5.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9489 8.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9586 7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 7.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 7.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 9.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 5 14 1 0 0 0 0 9 10 1 0 0 0 0 M END > AS25-0452 > C13H8N2O2S > 256.282994 > 6-(Pyridin-2-yl)thieno[3,2-b]pyridine-3-carboxylic acid > 0.25g > 1g > 5g $$$$ AS25-0700 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 7.5372 8.5195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 7.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 7.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3248 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3304 7.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 7.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 7.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7480 8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 8.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 6.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 5.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2306 7.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 8.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 7.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 10 11 2 0 0 0 0 1 2 1 0 0 0 0 10 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 3 5 1 0 0 0 0 2 14 1 0 0 0 0 6 7 2 0 0 0 0 14 15 2 0 0 0 0 4 1 1 0 0 0 0 14 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 M END > AS25-0700 > C11H9NO4S > 251.259994 > 952182-45-5 > Dimethyl thieno[3,2-b]pyridine-2,3-dicarboxylate > 0.25g > 1g $$$$ AS25-0780 Accord 12161109172D 15 17 0 0 0 0 0 0 0 0999 V2000 9.0043 7.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0138 6.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3027 6.2787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 6.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 7.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8051 6.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3116 7.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 7.7569 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 5.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6579 5.5669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1656 6.2289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4927 6.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 13 14 2 0 0 0 0 10 15 2 0 0 0 0 M END > AS25-0780 > C9H5N3O2S > 219.221995 > 952800-38-3 > 6,7-Dihydropyrido-(2',3'-4,5)-thieno-(2,3-d) pyridazine-6,9-dione > 0.25g > 1g > 5g $$$$ AS30-0100 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 7.5903 6.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 5.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 5.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 5.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 6.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 6.6477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 5.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 6.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 5.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS30-0100 > C9H7NO3 > 177.158996 > 1027511-36-9 > Methyl furo[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS30-0101 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.7656 6.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 5.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5162 5.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2159 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9428 5.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9657 6.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2653 6.6477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 5.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0421 6.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > AS30-0101 > C8H5NO3 > 163.131996 > 34668-26-3 > Furo[2,3-b]pyridine-2-carboxylic acid > 1g > 5g $$$$ AS30-0102 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5903 6.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 5.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 5.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 6.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 5.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 5.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 6.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 6.6912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 6.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 5.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 5.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 7 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS30-0102 > C9H6BrNO3 > 256.059993 > 1083196-29-5 > Methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS30-0103 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 8.3408 6.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 7.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 7.5159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 7.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 6.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 6.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 6.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5903 7.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 6.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 7.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 6.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 5.8246 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.1958 6.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4451 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 2 14 1 16 -1 M END > AS30-0103 > C9H6N2O5 > 222.155995 > 1083196-30-8 > Methyl 5-nitrofuro[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS30-0104 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5903 6.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 5.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 5.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 6.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 5.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 5.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 6.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 6.6912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 6.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 5.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 7 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS30-0104 > C9H8N2O3 > 192.173996 > 1083196-31-9 > Methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate > 1g > 5g $$$$ AS30-0105 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 7.5903 6.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 5.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 5.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 6.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 5.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 5.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 6.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 6.6912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 6.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 5.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 7 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS30-0105 > C9H6ClNO3 > 211.603995 > 1198475-17-0 > Methyl 5-chlorofuro[2,3-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS30-0106 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 7.5903 7.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 6.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 6.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 5.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 5.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 7.1246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 6.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 7.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 5.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 5.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1714 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 7 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 3 0 0 0 0 M END > AS30-0106 > C10H6N2O3 > 202.168996 > 1198420-95-9 > Methyl 5-cyanofuro[2,3-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS30-0131 Accord 12161109172D 21 22 0 0 0 0 0 0 0 0999 V2000 7.5903 8.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 6.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 7.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 7.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 6.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 7.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 8.2969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 7.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 8.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 6.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5158 8.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1229 8.9853 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2412 8.6527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9086 7.5343 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 5.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 5.7988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 5.8504 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > AS30-0131 > C11H5F6NO3 > 313.15299 > 1198475-20-5 > Methyl 4,6-bis(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS30-0161 Accord 12161109172D 22 24 0 0 0 0 0 0 0 0999 V2000 7.5903 8.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0827 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 6.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 7.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 7.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 6.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7675 7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 7.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 8.2969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 7.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 8.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 6.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5158 8.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 5.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 5.7988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 5.8504 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2601 7.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8286 8.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 9.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6244 9.0776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 14 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 M END > AS30-0161 > C14H8F3NO3S > 327.279991 > 1198420-90-4 > Methyl 4-(trifluoromethyl)-6-(thiophen-2-yl)furo[2,3-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS30-0167 Accord 12161109172D 21 22 0 0 0 0 0 0 0 0999 V2000 7.5903 8.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 7.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 6.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3676 7.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 7.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 6.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 7.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 7.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 8.2969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 7.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 8.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 6.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5158 8.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 5.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8393 5.7988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 5.8504 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1229 8.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2412 8.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9086 7.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 M END > AS30-0167 > C14H14F3NO3 > 301.263992 > 1198475-19-2 > Methyl 6-tert-butyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate > 1g > 5g > 10g $$$$ AS35-0000 Accord 12161109172D 13 15 0 0 0 0 0 0 0 0999 V2000 5.0011 6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 6.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 5.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 6.4959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 5.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 5.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 6.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 7.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 6 2 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 8 9 1 0 0 0 0 1 2 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 2 3 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > AS35-0000 > C10H7N3 > 169.186997 > 245-55-6 > Pyrimido[1,2-a]benzimidazole > 1g > 5g > 10g $$$$ AS35-0001 Accord 12161109172D 14 16 0 0 0 0 0 0 0 0999 V2000 5.0011 6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 6.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 5.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 5.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 6.4959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 5.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 6.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 7.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 8.0872 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 12 14 1 0 0 0 0 M END > AS35-0001 > C10H6ClN3 > 203.631996 > 959245-17-1 > 3-Chloro-pyrimido[1,2-a]benzimidazole > 1g > 5g > 10g $$$$ AS35-0002 Accord 12161109172D 14 16 0 0 0 0 0 0 0 0999 V2000 5.7113 6.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4252 5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2095 5.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 5.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 6.4959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 5.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 6.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 7.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 8.0872 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 12 14 1 0 0 0 0 M END > AS35-0002 > C10H6BrN3 > 248.087993 > 1000932-35-3 > 3-Bromo-Pyrimido[1,2-a]benzimidazole > 1g > 5g > 10g $$$$ AS50-0001 Accord 12161109172D 14 14 0 0 0 0 0 0 0 0999 V2000 5.8252 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8252 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 7.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 5.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8251 8.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 9.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 9.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 10.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 9.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END > AS50-0001 > C10H18INO2 > 311.162996 > 301673-14-3 > Tert-butyl 4-iodopiperidine-1-carboxylate > 10g > 25g > 50g > 100g $$$$ AS50-0002 Accord 12161109172D 14 14 0 0 0 0 0 0 0 0999 V2000 5.8252 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8252 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5396 7.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8251 8.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 9.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 9.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 10.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 9.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 3 14 1 0 0 0 0 M END > AS50-0002 > C10H19NO3 > 201.265996 > 109384-19-2 > Tert-butyl 4-hydroxypiperidine-1-carboxylate > 10g > 25g > 50g > 100g $$$$ AS55-0001 Accord 12161109172D 9 9 0 0 0 0 0 0 0 0999 V2000 5.7145 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 7.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 7.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > AS55-0001 > C6H9N3 > 123.158998 > 156973-09-0 > 2-Amino-5-aminomethylpyridine > 1g > 5g $$$$ AS55-0005 Accord 12161109172D 9 9 0 0 0 0 0 0 0 0999 V2000 5.7145 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 6.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.6500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > AS55-0005 > C6H6BrNS > 204.093994 > 74134-42-2 > 2-Bromo-6-(methylthio)pyridine > 1g > 5g $$$$ AS55-0006 Accord 12161109172D 16 14 0 0 0 0 0 0 0 0999 V2000 6.0445 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7589 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4735 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4735 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7589 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1879 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 7.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9023 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6168 7.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9023 8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 9.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9168 7.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.2668 7.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 2 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS55-0006 > C9H13Cl3N2O2 > 287.573994 > 1212989-27-9 > Methyl (2R)-2-amino-3-(5-chloro-pyridin-2-yl)propanoate dihydrochloride > 1g > 5g $$$$ AS55-0007 Accord 12161109172D 16 16 0 0 0 0 0 0 0 0999 V2000 8.5723 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 5.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 5.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 6.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 M END > AS55-0007 > C11H17N3O2 > 223.275996 > 187237-37-2 > 5-Aminomethyl-2-(N-tert-butoxycarbonylamino)pyridine > 1g > 5g > 10g $$$$ AS55-0008 Accord 12161109172D 23 23 0 0 0 0 0 0 0 0999 V2000 8.5723 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 5.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 5.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 6.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 7.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 7.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3183 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 9.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9683 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 7 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END > AS55-0008 > C16H25N3O4 > 323.392994 > 1027511-51-8 > 5-Aminomethyl-2-(N,N-ditert-butoxycarbonylamino)pyridine > 1g > 5g > 10g $$$$ AS60-0001 Accord 12161109172D 8 8 0 0 0 0 0 0 0 0999 V2000 5.0000 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 6.6500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > AS60-0001 > C4H2BrFN2 > 176.980994 > 1003706-87-3 > 4-Bromo-5-fluoropyrimidine > 1g > 5g > 10g > 25g $$$$ AS65-0001 Accord 12161109172D 8 8 0 0 0 0 0 0 0 0999 V2000 7.3084 5.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 6.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8795 6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8795 5.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 5.2475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 6.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 2 0 0 0 0 4 8 2 0 0 0 0 M END > AS65-0001 > C4H4N2O2 > 112.087998 > 931-18-0 > Pyrazine-2,3(1H,4H)-dione > 1g > 5g > 10g $$$$ AS70-0001 Accord 12161109172D 11 12 0 0 0 0 0 0 0 0999 V2000 5.0012 7.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 7.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 7.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 6.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 5.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6988 6.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 7.3266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5226 6.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 6 2 0 0 0 0 5 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 3 10 1 0 0 0 0 8 11 2 0 0 0 0 M END > AS70-0001 > C7H6N2O2 > 150.136997 > 81282-60-2 > 7-Aminobenzo[d]oxazol-2(3H)-one > 1g > 5g $$$$ AS70-0002 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 5.7146 7.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 6.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4272 6.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 6.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1397 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4253 7.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 6.4048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4122 7.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 7.7401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 7.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4283 5.4134 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1433 5.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0000 7.8892 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 2 0 0 0 0 3 11 1 0 0 0 0 1 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 11 1 13 -1 M END > AS70-0002 > C7H3ClN2O4 > 214.563995 > 811810-67-0 > 5-Chloro-7-nitrobenzo[d]oxazol-2(3H)-one > 1g > 5g > 10g > 25g $$$$ AS80-0001 Accord 12161109172D 13 14 0 0 0 0 0 0 0 0999 V2000 7.6984 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 7.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 6.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > AS80-0001 > C8H7N3O2 > 177.162997 > 944906-58-5 > Methyl imidazo[1,2-a]pyrimidine-6-carboxylate > 1g > 5g $$$$ AS80-0002 Accord 12161109172D 10 11 0 0 0 0 0 0 0 0999 V2000 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > AS80-0002 > C6H4ClN3 > 153.571997 > 944906-56-3 > 6-Chloroimidazo[1,2-a]pyrimidine > 1g > 5g > 10g $$$$ AS80-0003 Accord 12161109172D 10 11 0 0 0 0 0 0 0 0999 V2000 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > AS80-0003 > C6H4BrN3 > 198.027995 > 865156-68-9 > 6-Bromoimidazo[1,2-a]pyrimidine > 1g > 5g > 10g $$$$ AS80-0004 Accord 12161109172D 15 17 0 0 0 0 0 0 0 0999 V2000 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 7.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 M END > AS80-0004 > C11H8N4 > 196.212996 > 1027511-31-4 > 6-(Pyridin-2-yl)imidazo[1,2-a]pyrimidine > 0.25g > 1g > 5g $$$$ AS80-0005 Accord 12161109172D 16 18 0 0 0 0 0 0 0 0999 V2000 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5564 7.8874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 M END > AS80-0005 > C12H8ClN3 > 229.669995 > 1027511-33-6 > 6-(4-Chlorophenyl)imidazo[1,2-a]pyrimidine > 0.25g > 1g > 5g $$$$ AS80-0006 Accord 12161109172D 16 18 0 0 0 0 0 0 0 0999 V2000 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5564 7.8874 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 M END > AS80-0006 > C12H8BrN3 > 274.125993 > 1083196-35-3 > 6-(4-Bromophenyl)imidazo[1,2-a]pyrimidine > 0.25g > 1g > 5g $$$$ AS80-0007 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 7.6984 6.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 6.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 7.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.8721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 7.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 8.1895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 9.0145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 8.1895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 5.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0004 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 5.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8254 6.4290 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 2 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M END > AS80-0007 > C8H3F6N3 > 255.120993 > 1027511-38-1 > 5,7-Bis(trifluoromethyl)imidazo[1,2-a]pyrimidine > 0.25g > 1g > 5g > 10g $$$$ AS80-0008 Accord 12161109172D 22 24 0 0 0 0 0 0 0 0999 V2000 7.6984 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 5.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8419 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1274 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5564 7.8874 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 8.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1439 8.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9688 7.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 7.8875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6985 8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 7.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 2 20 1 22 -1 M END > AS80-0008 > C13H10N4O4S > 318.310993 > 1027511-40-5 > 6-(4-(Methylsulfonyl)-2-nitrophenyl)imidazo[1,2-a]pyrimidine > 0.25g > 1g > 5g > 10g $$$$ AS85-0001 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.4332 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 6.6514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 6.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 5.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 5.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 5.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 6.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 6.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.6462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 5.0107 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 12 1 0 0 0 0 M END > AS85-0001 > C8H6ClN3 > 179.609997 > 64874-37-9 > 6-Chloro-1,8-naphthyridin-2-amine > 1g > 5g > 10g $$$$ AS85-0002 Accord 12161109172D 17 19 0 0 0 0 0 0 0 0999 V2000 5.7158 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 6.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 6.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 7.8755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 6.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 6.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 7.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 7.8804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 5.4153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 6.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0048 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 M END > AS85-0002 > C13H10N4 > 222.250996 > 741616-96-6 > 6-(Pyridin-4-yl)-1,8-naphthyridin-2-amine > 0.25g > 1g > 5g $$$$ AS85-0003 Accord 12161109172D 21 24 0 0 0 0 0 0 0 0999 V2000 5.7158 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 6.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 6.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 7.8755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 6.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 6.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 7.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 7.8805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0048 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0111 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4337 6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1498 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1530 5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 5.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 M END > AS85-0003 > C17H12N4 > 272.310995 > 1027511-46-1 > 6-(Quinolin-2-yl)-1,8-naphthyridin-2-amine > 0.25g > 1g > 5g $$$$ AS85-0004 Accord 12161109172D 21 24 0 0 0 0 0 0 0 0999 V2000 5.7158 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 6.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 6.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 7.8755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 6.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 6.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 7.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 7.8805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0048 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0111 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4337 6.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1498 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1530 5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 5.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 14 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 M END > AS85-0004 > C16H11N5 > 273.298995 > 1027511-47-2 > 6-(Quinoxalin-2-yl)-1,8-naphthyridin-2-amine > 0.25g > 1g > 5g $$$$ AS85-0005 Accord 12161109172D 20 23 0 0 0 0 0 0 0 0999 V2000 5.7158 7.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 7.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 6.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 7.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 8.3422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 6.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 7.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 7.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 8.3472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 8.3369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 6.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3813 5.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1890 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 6.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0443 7.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6043 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 5.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8390 5.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4237 6.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 12 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 M END > AS85-0005 > C15H10N4O > 262.271995 > 1027511-48-3 > 6-(Benzo[d]oxazol-2-yl)-1,8-naphthyridin-2-amine > 0.25g > 1g > 5g $$$$ AS85-0006 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 5.7158 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 5.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 5.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 6.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 6.6514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 5.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 5.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 6.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 6.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.6462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 5.0107 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 M END > AS85-0006 > C8H6BrN3 > 224.065994 > 64874-38-0 > 6-Bromo-1,8-naphthyridin-2-amine > 1g > 5g > 10g > 25g $$$$ AS85-0007 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 5.7158 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 6.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 6.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 7.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 6.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 6.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 7.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 7.8804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0048 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 5.0055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 M END > AS85-0007 > C14H10ClN3 > 255.707995 > 1027511-50-7 > 6-(4-Chlorophenyl)-1,8-naphthyridin-2-amine > 0.25g > 1g > 5g $$$$ AS85-0008 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 6.4332 6.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 7.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 6.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 6.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 7.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 7.8804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 6.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.8702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 6.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0048 6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2951 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 5.0055 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 0 0 0 0 1 4 2 0 0 0 0 3 2 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 M END > AS85-0008 > C14H10BrN3 > 300.163992 > 1083196-37-5 > 6-(4-Bromophenyl)-1,8-naphthyridin-2-amine > 0.25g > 1g > 5g $$$$ AS86-0006 Accord 12161109172D 14 16 0 0 0 0 0 0 0 0999 V2000 8.5724 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 6.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0295 7.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 7.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1856 6.7894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 1 2 0 0 0 0 8 14 1 0 0 0 0 M END > AS86-0006 > C10H6BrN3 > 248.087993 > 1198420-92-6 > 3-Bromoimidazo[1,2-a][1,8]naphthyridine > 1g > 5g > 10g $$$$ AS90-0001 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9900 10.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 8.8753 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 2 15 1 17 -1 M END > AS90-0001 > C9H8N4O4 > 236.186996 > 105411-95-8 > Ethyl 6-nitropyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0002 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0002 > C9H8BrN3O2 > 270.090993 > 1027511-41-6 > Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g > 10g $$$$ AS90-0003 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0003 > C9H8ClN3O2 > 225.634995 > 936074-36-1 > Ethyl 6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g > 10g $$$$ AS90-0004 Accord 12161109172D 20 22 0 0 0 0 0 0 0 0999 V2000 8.2755 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 10.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0004 > C14H12N4O2 > 268.275995 > 1027511-44-9 > Ethyl 6-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS90-0005 Accord 12161109172D 21 23 0 0 0 0 0 0 0 0999 V2000 8.2755 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 10.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1334 10.5253 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0005 > C15H12ClN3O2 > 301.732994 > 1027511-45-0 > Ethyl 6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate > 0.25g > 1g > 5g $$$$ AS90-0006 Accord 12161109172D 16 17 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 9 15 1 0 0 0 0 7 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0006 > C11H13N3O2 > 219.243996 > 52664-01-4 > Ethyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0007 Accord 12161109172D 17 18 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 9 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0007 > C11H12ClN3O2 > 253.688995 > 1035835-21-2 > Ethyl 6-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0008 Accord 12161109172D 24 26 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 10.1129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 10.9379 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3861 10.1129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 6.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 9 15 1 0 0 0 0 7 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > AS90-0008 > C16H12F3N3O2 > 335.284992 > 312635-19-1 > Ethyl 7-(trifluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0009 Accord 12161109172D 23 25 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 10.1129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 10.9379 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3861 10.1129 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 6.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8832 6.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2957 7.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7436 7.9734 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 9 15 1 0 0 0 0 7 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 20 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > AS90-0009 > C14H10F3N3O2S > 341.310992 > 333762-01-9 > Ethyl 7-(trifluoromethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0010 Accord 12161109172D 28 31 0 0 0 0 0 0 0 0999 V2000 7.1239 8.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6389 7.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1239 6.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9085 7.9922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9085 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 6.7547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3374 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3374 7.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 8.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8689 6.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 5.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4209 5.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 9.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 9.2297 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 10.0547 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 9.2297 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0519 6.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0519 5.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7664 5.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4809 6.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4809 5.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1953 5.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9098 5.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9098 6.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1953 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 9 15 1 0 0 0 0 7 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 24 2 0 0 0 0 23 22 2 0 0 0 0 22 19 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > AS90-0010 > C20H14F3N3O2 > 385.34499 > 679830-65-0 > Ethyl 7-(trifluoromethyl)-5-(naphthalen-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0011 Accord 12161109172D 20 22 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 10.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 10.1128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 8 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0011 > C14H12N4O2 > 268.275995 > 1035835-25-6 > Ethyl 6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0012 Accord 12161109172D 15 16 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 M END > AS90-0012 > C9H10N4O2 > 206.204996 > 1083196-34-2 > Ethyl 6-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0013 Accord 12161109172D 14 15 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0013 > C9H9N3O2 > 191.189996 > 115932-00-8 > Ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g > 10g > 25g $$$$ AS90-0014 Accord 12161109172D 12 13 0 0 0 0 0 0 0 0999 V2000 6.0619 7.7326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 7.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 7.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 6.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 6.2401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 6.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > AS90-0014 > C7H5N3O2 > 163.135997 > 25940-35-6 > Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid > 1g > 5g > 10g > 25g $$$$ AS90-0015 Accord 12161109172D 21 23 0 0 0 0 0 0 0 0999 V2000 6.0619 9.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.6378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 7.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 6.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 10.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 10.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 8.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1334 10.5253 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 10 1 0 0 0 0 8 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > AS90-0015 > C15H12BrN3O2 > 346.188991 > 1083196-36-4 > Ethyl 6-(4-bromophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate > 1g > 5g $$$$ AS90-0404 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 8.2755 6.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 7.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 6.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 6.2401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 7.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 8.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 9.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 8.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 7.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > AS90-0404 > C12H8N4O2 > 240.221995 > 6-(Pyridin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid > 0.25g > 1g > 5g $$$$ AS90-0411 Accord 12161109172D 18 20 0 0 0 0 0 0 0 0999 V2000 8.2755 6.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2755 7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 7.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 7.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 6.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 6.2401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 7.7326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 7.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0619 6.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 5.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 8.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7045 9.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 8.7151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 7.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7044 7.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 9 10 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > AS90-0411 > C12H8N4O2 > 240.221995 > 6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid > 0.25g > 1g > 5g $$$$ AS100-0002 Accord 12161109172D 13 13 0 0 0 0 0 0 0 0999 V2000 6.6462 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 5.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 6.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 6.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2357 5.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4105 5.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7116 5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1265 6.6718 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 7.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7078 6.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > AS100-0002 > C9H11O3P > 198.157997 > 53459-43-1 > 4-Vinylbenzylphosphonic acid > 5g > 10g > 25g > 50g > 100g $$$$