smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)C1=O	ZINC000008819316	553154078	/nfs/dbraw/zinc/15/40/78/553154078.db2.gz	VYNZTZGQCIZZAD-PGMHBOJBSA-N	0	3	513.641	3.644	40	10		KHCBHN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3cccc(C)c3)CC2)c(O)c(OC)c1	ZINC000020477507	553657439	/nfs/dbraw/zinc/65/74/39/553657439.db2.gz	BEBXBGDGKIMEAQ-UHFFFAOYSA-N	0	3	535.641	3.612	40	10		KHCBHN
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)OCCN(C)C)cc3)C2=O)cc1	ZINC000101005894	554553958	/nfs/dbraw/zinc/55/39/58/554553958.db2.gz	OCOYRVKDGQAUBD-XLNRJJMWSA-N	0	3	555.678	3.812	40	10		KHCBHN
CN(C)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	ZINC000101006133	554554196	/nfs/dbraw/zinc/55/41/96/554554196.db2.gz	UHUHQHPOPHBQID-JCMHNJIXSA-N	0	3	541.651	3.754	40	10		KHCBHN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c(OC)c1	ZINC000103538136	555437093	/nfs/dbraw/zinc/43/70/93/555437093.db2.gz	REVQTKQSEBTHSZ-UHFFFAOYSA-N	0	3	556.059	3.957	40	10		KHCBHN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(O)c(OC)c1	ZINC000103538146	555437169	/nfs/dbraw/zinc/43/71/69/555437169.db2.gz	VEWYRZXXOBJPRJ-UHFFFAOYSA-N	0	3	556.059	3.957	40	10		KHCBHN
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000223255114	571451362	/nfs/dbraw/zinc/45/13/62/571451362.db2.gz	KMNZBWQMQWKICY-KAYWLYCHSA-N	0	3	504.704	3.860	40	10		KHCBHN
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000223255158	571451390	/nfs/dbraw/zinc/45/13/90/571451390.db2.gz	KMNZBWQMQWKICY-SXOMAYOGSA-N	0	3	504.704	3.860	40	10		KHCBHN
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000223255204	571451371	/nfs/dbraw/zinc/45/13/71/571451371.db2.gz	KMNZBWQMQWKICY-RRPNLBNLSA-N	0	3	504.704	3.860	40	10		KHCBHN
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000223255260	571451376	/nfs/dbraw/zinc/45/13/76/571451376.db2.gz	KMNZBWQMQWKICY-SVBPBHIXSA-N	0	3	504.704	3.860	40	10		KHCBHN
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@@H](O)[C@H](C)O3)c1C2=O	ZINC000256966640	572305732	/nfs/dbraw/zinc/30/57/32/572305732.db2.gz	RZOFHOWMWMTHDX-AYLNNVQISA-N	0	3	746.854	3.656	40	10	in-vitro	KHCBHN
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@H](O)[C@@H](C)O3)c1C2=O	ZINC000256966642	572305714	/nfs/dbraw/zinc/30/57/14/572305714.db2.gz	RZOFHOWMWMTHDX-CPSWTUICSA-N	0	3	746.854	3.656	40	10	in-vitro	KHCBHN
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@H](O)[C@H](C)O3)c1C2=O	ZINC000256966644	572305794	/nfs/dbraw/zinc/30/57/94/572305794.db2.gz	RZOFHOWMWMTHDX-NLBZLAPOSA-N	0	3	746.854	3.656	40	10	in-vitro	KHCBHN
Cc1cc2c(c3oc([C@]4(C)O[C@@H]4[C@@H]4O[C@@H]4C)cc(=O)c13)C(=O)c1c([O-])c([C@@H]3C[C@](C)([NH+](C)C)[C@H](O)[C@H](C)O3)cc([C@@H]3C[C@H](N(C)C)[C@@H](O)[C@@H](C)O3)c1C2=O	ZINC000256966646	572305702	/nfs/dbraw/zinc/30/57/02/572305702.db2.gz	RZOFHOWMWMTHDX-WSBQRAEJSA-N	0	3	746.854	3.656	40	10	in-vitro	KHCBHN