smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccc(Cl)cc2C)c2cccc(C)c2n1 ZINC000000256301 567929353 /nfs/dbraw/zinc/92/93/53/567929353.db2.gz IOCOYSIFFKLANU-UHFFFAOYSA-N 0 1 296.801 5.557 40 0 CKABMN CN(C)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001664114 567840314 /nfs/dbraw/zinc/84/03/14/567840314.db2.gz HJBWHTWIQVQEGJ-UHFFFAOYSA-N 0 1 299.417 5.165 40 0 CKABMN C[C@@H]1CC(=O)C(c2ccccc2)[P@@]1(=O)Cc1ccccc1 ZINC000005340490 170087722 /nfs/dbraw/zinc/08/77/22/170087722.db2.gz CCDHLWCXEOHEAR-SPLOXXLWSA-N 0 1 298.322 5.269 40 0 CKABMN C[C@H]1CC(=O)C(c2ccccc2)[P@@]1(=O)Cc1ccccc1 ZINC000005340492 170087783 /nfs/dbraw/zinc/08/77/83/170087783.db2.gz CCDHLWCXEOHEAR-LHSJRXKWSA-N 0 1 298.322 5.269 40 0 CKABMN C[C@@H]1CC(=O)C(c2ccccc2)[P@]1(=O)Cc1ccccc1 ZINC000005340493 170087658 /nfs/dbraw/zinc/08/76/58/170087658.db2.gz CCDHLWCXEOHEAR-SZNDQCEHSA-N 0 1 298.322 5.269 40 0 CKABMN C[C@H]1CC(=O)C(c2ccccc2)[P@]1(=O)Cc1ccccc1 ZINC000005340495 170087682 /nfs/dbraw/zinc/08/76/82/170087682.db2.gz CCDHLWCXEOHEAR-QKKBWIMNSA-N 0 1 298.322 5.269 40 0 CKABMN C[C@@H]1C[P@@](=O)(Cc2ccccc2)C(c2ccccc2)C1=O ZINC000031738630 567885053 /nfs/dbraw/zinc/88/50/53/567885053.db2.gz ZXKJVRMJPIZDPP-SPLOXXLWSA-N 0 1 298.322 5.126 40 0 CKABMN C[C@H]1C[P@@](=O)(Cc2ccccc2)C(c2ccccc2)C1=O ZINC000031738634 567885203 /nfs/dbraw/zinc/88/52/03/567885203.db2.gz ZXKJVRMJPIZDPP-LHSJRXKWSA-N 0 1 298.322 5.126 40 0 CKABMN C[C@@H]1C[P@](=O)(Cc2ccccc2)C(c2ccccc2)C1=O ZINC000031738638 567885231 /nfs/dbraw/zinc/88/52/31/567885231.db2.gz ZXKJVRMJPIZDPP-SZNDQCEHSA-N 0 1 298.322 5.126 40 0 CKABMN C[C@H]1C[P@](=O)(Cc2ccccc2)C(c2ccccc2)C1=O ZINC000031738643 567885106 /nfs/dbraw/zinc/88/51/06/567885106.db2.gz ZXKJVRMJPIZDPP-QKKBWIMNSA-N 0 1 298.322 5.126 40 0 CKABMN CC(C)(C)c1cc(C(C)(C)C)c(S)c(C(C)(C)C)c1 ZINC000032266844 570310955 /nfs/dbraw/zinc/31/09/55/570310955.db2.gz USBODICZKVQDMW-UHFFFAOYSA-N 0 1 278.505 5.868 40 0 CKABMN Cc1cc(Nc2ccc(C(C)(C)C)cc2)c2ccccc2n1 ZINC000040400795 174253243 /nfs/dbraw/zinc/25/32/43/174253243.db2.gz WVYQSOGANNCENK-UHFFFAOYSA-N 0 1 290.410 5.584 40 0 CKABMN CSc1ccc(Nc2cc(C)nc3ccccc32)cc1 ZINC000040400805 174253436 /nfs/dbraw/zinc/25/34/36/174253436.db2.gz GNIAISZTEJJFFA-UHFFFAOYSA-N 0 1 280.396 5.009 40 0 CKABMN Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)[nH]c2c(C)c1 ZINC000070462753 566866125 /nfs/dbraw/zinc/86/61/25/566866125.db2.gz YBNTYXQNMUHYGP-UHFFFAOYSA-N 0 1 278.399 5.144 40 0 CKABMN Cc1cc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c(C)c1 ZINC000070462754 566864954 /nfs/dbraw/zinc/86/49/54/566864954.db2.gz DPDCQYVQKRDUDY-UHFFFAOYSA-N 0 1 298.389 5.514 40 0 CKABMN Cc1cc2nc(-c3cccc(Cl)c3Cl)[nH]c2c(C)c1 ZINC000070462770 566865750 /nfs/dbraw/zinc/86/57/50/566865750.db2.gz FYXCLMMQLKJOHW-UHFFFAOYSA-N 0 1 291.181 5.154 40 0 CKABMN Cc1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c(C)c1 ZINC000070462771 566866112 /nfs/dbraw/zinc/86/61/12/566866112.db2.gz DLGAOQVFLXQJCQ-UHFFFAOYSA-N 0 1 291.181 5.154 40 0 CKABMN Cc1cc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c(C)c1 ZINC000070462772 566864587 /nfs/dbraw/zinc/86/45/87/566864587.db2.gz IRPFSHGBCSCXAB-UHFFFAOYSA-N 0 1 291.181 5.154 40 0 CKABMN Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c(C)c1 ZINC000070462773 566866237 /nfs/dbraw/zinc/86/62/37/566866237.db2.gz IRIJWAWBUODBDR-UHFFFAOYSA-N 0 1 291.181 5.154 40 0 CKABMN Clc1ccc(-c2cc(-c3ccccc3)[nH]n2)c(Cl)c1 ZINC000095094734 567939985 /nfs/dbraw/zinc/93/99/85/567939985.db2.gz BPKPUPGBXYEWEL-UHFFFAOYSA-N 0 1 289.165 5.051 40 0 CKABMN Cc1ccc(P(C2CCCCC2)C2CCCCC2)cc1 ZINC000095864361 185030345 /nfs/dbraw/zinc/03/03/45/185030345.db2.gz NKVOVJOFRHVNKV-UHFFFAOYSA-N 0 1 288.415 5.768 40 0 CKABMN Cc1cc2nc(-c3c(Cl)cccc3Cl)[nH]c2c(C)c1 ZINC000122362572 187028388 /nfs/dbraw/zinc/02/83/88/187028388.db2.gz YELJWZZCMDBKCT-UHFFFAOYSA-N 0 1 291.181 5.154 40 0 CKABMN Cc1ccc2nc(-c3ccc4c(c3)-c3ccccc3C4)[nH]c2c1 ZINC000216773885 570346239 /nfs/dbraw/zinc/34/62/39/570346239.db2.gz MFBFLTVBYDXXHM-UHFFFAOYSA-N 0 1 296.373 5.110 40 0 CKABMN CCc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000216913203 529578193 /nfs/dbraw/zinc/57/81/93/529578193.db2.gz LZKJYMJDTYFPQU-UHFFFAOYSA-N 0 1 291.181 5.099 40 0 CKABMN Clc1cc2nc(-c3ccccc3Cl)[nH]c2c(Cl)c1 ZINC000216913904 534633367 /nfs/dbraw/zinc/63/33/67/534633367.db2.gz GPWNHTUAFHFUOD-UHFFFAOYSA-N 0 1 297.572 5.190 40 0 CKABMN Clc1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000216914110 534641250 /nfs/dbraw/zinc/64/12/50/534641250.db2.gz PYCOPEIRBQGFCY-UHFFFAOYSA-N 0 1 297.572 5.190 40 0 CKABMN Clc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000216914197 534634091 /nfs/dbraw/zinc/63/40/91/534634091.db2.gz DSRVMQRWHBNLSX-UHFFFAOYSA-N 0 1 297.572 5.190 40 0 CKABMN