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/nfs/dbraw/zinc/87/12/32/582871232.db2.gz QBTNEKRMKXHNMH-UHFFFAOYSA-N -1 3 199.210 0.124 20 0 ACADHM O=C(OCCCCCO)c1c[n-]nn1 805607785 582871233 /nfs/dbraw/zinc/87/12/33/582871233.db2.gz QBTNEKRMKXHNMH-UHFFFAOYSA-N -1 3 199.210 0.124 20 0 ACADHM Cc1cc(C(=O)OCCO)ccc1[O-] 778856002 582871574 /nfs/dbraw/zinc/87/15/74/582871574.db2.gz HLFBOZCZLZMLEK-UHFFFAOYSA-N -1 3 196.202 0.850 20 0 ACADHM C/C=C/C=C\C(=O)[N-]c1nnnn1C 779467739 582873347 /nfs/dbraw/zinc/87/33/47/582873347.db2.gz VEESSYFDJURLPK-ICWBMWKASA-N -1 3 193.210 0.281 20 0 ACADHM Cn1nnnc1[N-]C(=O)C1CCCC1 779467784 582873473 /nfs/dbraw/zinc/87/34/73/582873473.db2.gz VUFIEOVGXNBIEJ-UHFFFAOYSA-N -1 3 195.226 0.339 20 0 ACADHM Cn1nnnc1[N-]C(=O)CC(C)(C)C 779468069 582873534 /nfs/dbraw/zinc/87/35/34/582873534.db2.gz ZMHKQGSYULUOOE-UHFFFAOYSA-N -1 3 197.242 0.585 20 0 ACADHM C/C=C/C=C/C(=O)[N-]c1nnnn1C 779467740 582873652 /nfs/dbraw/zinc/87/36/52/582873652.db2.gz VEESSYFDJURLPK-VNKDHWASSA-N -1 3 193.210 0.281 20 0 ACADHM 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