smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000044247325	562652709	/nfs/dbraw/zinc/65/27/09/562652709.db2.gz	YFMBSKDSAUSPKA-UHFFFAOYSA-N	0	2	512.007	3.812	1	70		KHIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(CCC=C(F)F)CC1	ZINC000217613863	562877625	/nfs/dbraw/zinc/87/76/25/562877625.db2.gz	LFJKWCXNKQVRHP-UHFFFAOYSA-N	0	2	502.543	3.958	1	70		KHIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3nccnc32)cc1)N1CCC(O)(CCCC(F)F)CC1	ZINC000217626276	562877653	/nfs/dbraw/zinc/87/76/53/562877653.db2.gz	ODTDNEWUDZCODG-UHFFFAOYSA-N	0	2	504.559	3.833	1	70		KHIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(COCC(F)(F)F)CC1	ZINC000217637642	562877671	/nfs/dbraw/zinc/87/76/71/562877671.db2.gz	QTCAUVUKZNTXEX-UHFFFAOYSA-N	0	2	529.562	3.643	1	70		KHIFLN
Nc1nc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(CCC(F)(F)F)CC3)cc2)s1	ZINC000217717303	562877742	/nfs/dbraw/zinc/87/77/42/562877742.db2.gz	KPQILHZERKYMRD-UHFFFAOYSA-N	0	2	528.578	3.989	1	70		KHIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(c2ccns2)CC1	ZINC000217725181	562877717	/nfs/dbraw/zinc/87/77/17/562877717.db2.gz	XUXIVODQRJIQOC-UHFFFAOYSA-N	0	2	500.627	3.677	1	70		KHIFLN
CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc43)cc2F)CC1	ZINC000217753285	562877715	/nfs/dbraw/zinc/87/77/15/562877715.db2.gz	XNZUUUCNEFEHLI-UHFFFAOYSA-N	0	2	522.549	3.972	1	70		KHIFLN
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(C2CCC(O)CC2)CC1	ZINC000217763009	562877693	/nfs/dbraw/zinc/87/76/93/562877693.db2.gz	WSECNRLJYDLVDA-UHFFFAOYSA-N	0	2	515.657	3.615	1	70		KHIFLN
Cc1cc(C2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc54)cc3)CC2)sn1	ZINC000217795841	562877793	/nfs/dbraw/zinc/87/77/93/562877793.db2.gz	OIJWXONMPXQNPH-UHFFFAOYSA-N	0	2	514.654	3.986	1	70		KHIFLN
Cc1n[nH]c(C)c1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000217796032	562877795	/nfs/dbraw/zinc/87/77/95/562877795.db2.gz	KMTKZMAZTXMVIY-UHFFFAOYSA-N	0	2	525.656	3.647	1	70		KHIFLN
Nc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(CCCC(F)(F)F)CC3)cc2)n1	ZINC000217804141	562877771	/nfs/dbraw/zinc/87/77/71/562877771.db2.gz	WSPMVLLIWFZWEM-UHFFFAOYSA-N	0	2	537.564	3.713	1	70		KHIFLN
Cc1noc(C)c1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1	ZINC000217810011	562877799	/nfs/dbraw/zinc/87/77/99/562877799.db2.gz	HPAAXGIGNJQROP-UHFFFAOYSA-N	0	2	526.640	3.912	1	70		KHIFLN