smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1cc(I)c(Br)c(Cl)c1Br	ZINC000065356403	568793950	/nfs/dbraw/zinc/79/39/50/568793950.db2.gz	PECOMSYKWWEAJP-UHFFFAOYSA-N	0	0	430.692	5.123	30	0		IKACRN
Fc1c(Cl)c(Br)c(I)c(Br)c1Cl	ZINC000065356391	568793763	/nfs/dbraw/zinc/79/37/63/568793763.db2.gz	PTBWOPPWWXNXPZ-UHFFFAOYSA-N	0	0	448.682	5.262	30	0		IKACRN
O=C(Oc1ccccc1)c1sc(Sc2ccc(Cl)cc2)nc1Br	ZINC000015443496	556528565	/nfs/dbraw/zinc/52/85/65/556528565.db2.gz	GYNJUWNCKKYYJR-UHFFFAOYSA-N	0	0	426.744	5.929	30	0		IKACRN
COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1	ZINC000095641920	557317726	/nfs/dbraw/zinc/31/77/26/557317726.db2.gz	UCGDOBMXNQTSSO-LJQANCHMSA-N	0	0	434.540	5.997	30	0		IKACRN
Clc1cc(Br)c(Cl)c(Br)c1I	ZINC000065356434	568793933	/nfs/dbraw/zinc/79/39/33/568793933.db2.gz	NLMZCDYJTQZBDN-UHFFFAOYSA-N	0	0	430.692	5.123	30	0		IKACRN
Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(C[NH+]3CCC(C(=O)[O-])CC3)n2c1	ZINC000004240836	568939615	/nfs/dbraw/zinc/93/96/15/568939615.db2.gz	CHGOTFMZDXQKCY-UHFFFAOYSA-N	0	0	425.532	5.273	30	0		IKACRN