smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000000350136 567826307 /nfs/dbraw/zinc/82/63/07/567826307.db2.gz GQHPWIMPJMNDDD-VIFPVBQESA-N -1 3 282.170 4.872 50 10 CJCAHM C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000000350138 567826303 /nfs/dbraw/zinc/82/63/03/567826303.db2.gz GQHPWIMPJMNDDD-SECBINFHSA-N -1 3 282.170 4.872 50 10 CJCAHM Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000000350139 567826208 /nfs/dbraw/zinc/82/62/08/567826208.db2.gz OTSRWQVQYSTABW-NSHDSACASA-N -1 3 261.752 4.527 50 10 CJCAHM Cc1ccc(N[C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000000350140 567826392 /nfs/dbraw/zinc/82/63/92/567826392.db2.gz OTSRWQVQYSTABW-LLVKDONJSA-N -1 3 261.752 4.527 50 10 CJCAHM Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2[O-])c(C)c1 ZINC000000350147 567826253 /nfs/dbraw/zinc/82/62/53/567826253.db2.gz PKWAMUVVCDOLOE-LBPRGKRZSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1ccc(N[C@H](C)c2cc(Cl)ccc2[O-])c(C)c1 ZINC000000350148 567826263 /nfs/dbraw/zinc/82/62/63/567826263.db2.gz PKWAMUVVCDOLOE-GFCCVEGCSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1cccc(N[C@@H](C)c2cc(Cl)ccc2[O-])c1C ZINC000000350150 567826232 /nfs/dbraw/zinc/82/62/32/567826232.db2.gz DYILWFVSLLZIIR-LBPRGKRZSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1cccc(N[C@H](C)c2cc(Cl)ccc2[O-])c1C ZINC000000350152 567826389 /nfs/dbraw/zinc/82/63/89/567826389.db2.gz DYILWFVSLLZIIR-GFCCVEGCSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2[O-])cc1C ZINC000000350154 567826279 /nfs/dbraw/zinc/82/62/79/567826279.db2.gz DPJCVCFHQDYLAA-LBPRGKRZSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1ccc(N[C@H](C)c2cc(Cl)ccc2[O-])cc1C ZINC000000350155 567826335 /nfs/dbraw/zinc/82/63/35/567826335.db2.gz DPJCVCFHQDYLAA-GFCCVEGCSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1cccc(C)c1N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000000350156 567826422 /nfs/dbraw/zinc/82/64/22/567826422.db2.gz NHTZGQFAVNDRPQ-LBPRGKRZSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1cccc(C)c1N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000000350158 567826269 /nfs/dbraw/zinc/82/62/69/567826269.db2.gz NHTZGQFAVNDRPQ-GFCCVEGCSA-N -1 3 275.779 4.836 50 10 CJCAHM Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1[O-] ZINC000000360896 567826596 /nfs/dbraw/zinc/82/65/96/567826596.db2.gz IYTWRPJITOMIEO-UHFFFAOYSA-N -1 3 283.758 4.812 50 10 CJCAHM CSc1ccc(NCc2c([O-])ccc3ccccc32)cc1 ZINC000000409968 566909805 /nfs/dbraw/zinc/90/98/05/566909805.db2.gz ANYIEJCYLFMISI-UHFFFAOYSA-N -1 3 295.407 4.879 50 10 CJCAHM Cc1ccc(NCc2c([O-])ccc3ccccc32)cc1C ZINC000000409969 566909004 /nfs/dbraw/zinc/90/90/04/566909004.db2.gz YGXSUYQUAYAMQZ-UHFFFAOYSA-N -1 3 277.367 4.774 50 10 CJCAHM Cc1ccc(NCc2c([O-])ccc3ccccc32)c(C)c1 ZINC000000410159 567936243 /nfs/dbraw/zinc/93/62/43/567936243.db2.gz JTDMEEVFQWUECA-UHFFFAOYSA-N -1 3 277.367 4.774 50 10 CJCAHM CCOc1ccc(N[C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000000530825 567833222 /nfs/dbraw/zinc/83/32/22/567833222.db2.gz FRNYXYVRARGLIN-NSHDSACASA-N -1 3 291.778 4.617 50 10 CJCAHM CCOc1ccc(N[C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000000530826 567833269 /nfs/dbraw/zinc/83/32/69/567833269.db2.gz FRNYXYVRARGLIN-LLVKDONJSA-N -1 3 291.778 4.617 50 10 CJCAHM O=C1C=CC(=NNc2ccc([O-])c(Cl)c2)C=C1Cl ZINC000004798485 170019261 /nfs/dbraw/zinc/01/92/61/170019261.db2.gz WTIAICHPBWPDQK-FOCLMDBBSA-N -1 3 283.114 4.820 50 10 CJCAHM [O-]c1ccccc1-c1nc2ccccc2nc1-c1ccccc1 ZINC000015952647 567871838 /nfs/dbraw/zinc/87/18/38/567871838.db2.gz WYAVXXXJEGLNFR-UHFFFAOYSA-N -1 3 298.345 4.669 50 10 CJCAHM CC(C)c1cccc(NCc2cc(Cl)ccc2[O-])c1 ZINC000019990060 567880342 /nfs/dbraw/zinc/88/03/42/567880342.db2.gz IFFJPUNPLAYOBP-UHFFFAOYSA-N -1 3 275.779 4.781 50 10 CJCAHM CC(C)c1ccc(NCc2cc(Cl)ccc2[O-])cc1 ZINC000020000713 567880485 /nfs/dbraw/zinc/88/04/85/567880485.db2.gz YYUVKOVPQDPULJ-UHFFFAOYSA-N -1 3 275.779 4.781 50 10 CJCAHM Cc1ccc(NCc2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000020471193 171213804 /nfs/dbraw/zinc/21/38/04/171213804.db2.gz KZPMJNNVIGDBTF-UHFFFAOYSA-N -1 3 282.170 4.620 50 10 CJCAHM Cc1c(Cl)cccc1NCc1cc(Cl)ccc1[O-] ZINC000021503924 171306942 /nfs/dbraw/zinc/30/69/42/171306942.db2.gz OCJDUJKKFONBBG-UHFFFAOYSA-N -1 3 282.170 4.620 50 10 CJCAHM Cc1ccc(NCc2cc(Cl)ccc2[O-])cc1Cl ZINC000021518302 171314656 /nfs/dbraw/zinc/31/46/56/171314656.db2.gz SSELOPJFHVPIIN-UHFFFAOYSA-N -1 3 282.170 4.620 50 10 CJCAHM Cc1cc(C)c(NCc2cc(Cl)ccc2[O-])c(C)c1 ZINC000037763522 570234558 /nfs/dbraw/zinc/23/45/58/570234558.db2.gz CZCNBJUSZLJKQL-UHFFFAOYSA-N -1 3 275.779 4.583 50 10 CJCAHM Cc1cc(NCc2cc(Cl)ccc2[O-])ccc1Cl ZINC000040477085 174283086 /nfs/dbraw/zinc/28/30/86/174283086.db2.gz OPBIQUAPDHBSFH-UHFFFAOYSA-N -1 3 282.170 4.620 50 10 CJCAHM Cc1cccc(Cl)c1NCc1cc(Cl)ccc1[O-] ZINC000044836120 175262722 /nfs/dbraw/zinc/26/27/22/175262722.db2.gz BXBLXUPOUIYUKR-UHFFFAOYSA-N -1 3 282.170 4.620 50 10 CJCAHM O=C1C([O-])=Cc2ccccc2C1=NNc1ccccc1 ZINC000071771470 176262325 /nfs/dbraw/zinc/26/23/25/176262325.db2.gz ZCGUTLKZHUHUDN-ISLYRVAYSA-N -1 3 264.284 4.666 50 10 CJCAHM CCOC(=O)c1[n-]c2ccccc2c1N=Nc1ccccc1 ZINC000252623169 521368418 /nfs/dbraw/zinc/36/84/18/521368418.db2.gz OLMBHPJEHNAEGP-UHFFFAOYSA-N -1 3 293.326 4.760 50 10 CJCAHM O=C1C=CC(=NNc2ccc([O-])c(Cl)c2)C=C1Cl ZINC000254747293 566835596 /nfs/dbraw/zinc/83/55/96/566835596.db2.gz WTIAICHPBWPDQK-UHFFFAOYSA-N -1 3 283.114 4.820 50 10 CJCAHM