smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1c(F)ccc(F)c1Br)C(F)(F)F ZINC000040571907 174338665 /nfs/dbraw/zinc/33/86/65/174338665.db2.gz OFYMBJSPBDSBED-UHFFFAOYSA-N 0 0 288.997 3.472 30 0 CGACRN CCOC(=O)c1sc(-c2cccc(OC)c2)nc1C ZINC000036532711 172638470 /nfs/dbraw/zinc/63/84/70/172638470.db2.gz BNPZQHUVQCFSMJ-UHFFFAOYSA-N 0 0 277.345 3.304 30 0 CGACRN O=C(CCC1OCCO1)c1ccc(C(F)(F)F)cc1 ZINC000015441215 368694515 /nfs/dbraw/zinc/69/45/15/368694515.db2.gz FZVUKKKWESOKEF-UHFFFAOYSA-N 0 0 274.238 3.041 30 0 CGACRN CC(C)(C)c1ccc(C(=O)CCC2OCCO2)cc1 ZINC000015441220 368695145 /nfs/dbraw/zinc/69/51/45/368695145.db2.gz SPKXAMCESUCLEM-UHFFFAOYSA-N 0 0 262.349 3.320 30 0 CGACRN COC(=S)N(C)c1cc(Cl)cc(Cl)c1 ZINC000015444421 368695903 /nfs/dbraw/zinc/69/59/03/368695903.db2.gz ZCHNATAZAVUJBK-UHFFFAOYSA-N 0 0 250.150 3.361 30 0 CGACRN Cn1cccc1[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000095727714 185021793 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368696328 /nfs/dbraw/zinc/69/63/28/368696328.db2.gz QUBHSCPLNONZMT-UHFFFAOYSA-N 0 0 272.300 3.192 30 0 CGACRN OCc1cc(Br)cc(Cl)c1Cl ZINC000115163100 370524021 /nfs/dbraw/zinc/52/40/21/370524021.db2.gz WYKWXDANHBFNLV-UHFFFAOYSA-N 0 0 255.926 3.248 30 0 CGACRN Cc1cc(N)cc(Br)c1Br ZINC000067796580 392161504 /nfs/dbraw/zinc/16/15/04/392161504.db2.gz PNZYWDDCNHZYIB-UHFFFAOYSA-N 0 0 264.948 3.102 30 0 CGACRN CC(=O)c1cc(F)c(Br)cc1Cl ZINC000238134650 327367634 /nfs/dbraw/zinc/36/76/34/327367634.db2.gz MKHADWQTWYODCU-UHFFFAOYSA-N 0 0 251.482 3.444 30 0 CGACRN NN=c1[nH]c(-c2ccc(C(F)(F)F)cc2F)cs1 ZINC000004299233 368542248 /nfs/dbraw/zinc/54/22/48/368542248.db2.gz BMANOGZKKGZUHJ-UHFFFAOYSA-N 0 0 277.246 3.254 30 0 CGACRN O=C(CCC1OCCO1)c1cccc(C(F)(F)F)c1 ZINC000015441217 368695212 /nfs/dbraw/zinc/69/52/12/368695212.db2.gz PYBQEGVBKIEXNI-UHFFFAOYSA-N 0 0 274.238 3.041 30 0 CGACRN Cc1cc(F)c(Cl)cc1I ZINC000067794472 392161721 /nfs/dbraw/zinc/16/17/21/392161721.db2.gz BJZGSCBCOSXQCV-UHFFFAOYSA-N 0 0 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