smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(Cl)cc(-c2cc(Cl)ccc2Cl)cc1Cl	ZINC000002598150	560188324	/nfs/dbraw/zinc/18/83/24/560188324.db2.gz	XKKCINSXSUTMIS-UHFFFAOYSA-N	0	2	307.991	5.673	10	0	in-vitro	DKAELN
Oc1c(Cl)c(Cl)ccc1Oc1ccc(Cl)cc1Cl	ZINC000006091963	181311903	/nfs/dbraw/zinc/31/19/03/181311903.db2.gz	BKWHBKVTXLCASI-UHFFFAOYSA-N	0	2	323.990	5.798	10	0		DKAELN
Oc1c(Cl)cc(-c2ccc(Cl)c(Cl)c2)cc1Cl	ZINC000006092189	560205182	/nfs/dbraw/zinc/20/51/82/560205182.db2.gz	RQGVZEFZWFEKQR-UHFFFAOYSA-N	0	2	307.991	5.673	10	0	in-vitro	DKAELN
CCC(=O)Nc1ccc(-c2csc(-c3ccccc3C)n2)cc1	ZINC000008225685	181537182	/nfs/dbraw/zinc/53/71/82/181537182.db2.gz	QBNDJPXXSPSMFF-UHFFFAOYSA-N	0	2	322.433	5.134	10	0		DKAELN
CCC(CC)CC1(C(=O)Nc2ccccc2S)CCCCC1	ZINC000013813331	563476961	/nfs/dbraw/zinc/47/69/61/563476961.db2.gz	OVRLABAFXJPIMU-UHFFFAOYSA-N	0	2	319.514	5.691	10	0		DKAELN
Cc1cc(Cl)cc(Sc2cc(Cl)cc(C)c2O)c1O	ZINC000038609718	183004637	/nfs/dbraw/zinc/00/46/37/183004637.db2.gz	DFLQADJJFCUSAX-UHFFFAOYSA-N	0	2	315.221	5.173	10	0		DKAELN
C/C(=C(\c1ccccc1)c1ccccn1)c1ccc(S)cc1	ZINC000584597036	337374413	/nfs/dbraw/zinc/37/44/13/337374413.db2.gz	WMRHXMJAVGDTMG-HKWRFOASSA-N	0	2	303.430	5.349	10	0		DKAELN
Cc1ccc2c(c1)-c1ccccc1-c1[nH+]c3c(n1-2)C1CCC3CC1	ZINC000584615663	337372802	/nfs/dbraw/zinc/37/28/02/337372802.db2.gz	BOJIJZRDPCHQCH-UHFFFAOYSA-N	0	2	312.416	5.583	10	0		DKAELN
Oc1c(Cl)cc(OCC=C(Cl)Cl)c(Cl)c1Cl	ZINC000584623791	337375157	/nfs/dbraw/zinc/37/51/57/337375157.db2.gz	QMVUQQDFWTXAGK-UHFFFAOYSA-N	0	2	322.402	5.050	10	0		DKAELN
c1ccc(C2(CC3CS3)c3ccccc3-c3ccccc32)cc1	ZINC000584654647	337377844	/nfs/dbraw/zinc/37/78/44/337377844.db2.gz	LGCLTJKIPKSCJR-KRWDZBQOSA-N	0	2	314.453	5.507	10	0		DKAELN