smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(Cc2[nH]c3ccc(C(=O)[O-])cc3[nH+]2)cc1	ZINC000020980562	182256911	/nfs/dbraw/zinc/25/69/11/182256911.db2.gz	LPPZOIFYQKUIMF-UHFFFAOYSA-N	0	2	309.325	2.810	30	0		DFACLN
Nc1ccc2sc(NS(=O)(=O)c3ccccc3)nc2c1	ZINC000020980687	182256987	/nfs/dbraw/zinc/25/69/87/182256987.db2.gz	WKXKXIHDHWEBLS-UHFFFAOYSA-N	0	2	305.384	2.679	30	0		DFACLN
O=C([O-])c1cccnc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1	ZINC000067726777	304272302	/nfs/dbraw/zinc/27/23/02/304272302.db2.gz	GQQCROXMJXBICQ-UHFFFAOYSA-N	0	2	307.353	2.819	30	0		DFACLN
O=C([O-])c1cccnc1C[N@H+]1CCc2[nH]c3ccccc3c2C1	ZINC000067726777	304272304	/nfs/dbraw/zinc/27/23/04/304272304.db2.gz	GQQCROXMJXBICQ-UHFFFAOYSA-N	0	2	307.353	2.819	30	0		DFACLN
O=S(=O)(Nc1cc(F)ccc1O)c1ccc(F)c(F)c1F	ZINC000075106934	426062306	/nfs/dbraw/zinc/06/23/06/426062306.db2.gz	ORCNDDNLHNFDPS-UHFFFAOYSA-N	0	2	321.251	2.749	30	0		DFACLN
Nc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1	ZINC000020980443	182257207	/nfs/dbraw/zinc/25/72/07/182257207.db2.gz	WVYNTJCCKRVUMT-UHFFFAOYSA-N	0	2	305.384	2.679	30	0		DFACLN
O=C([O-])c1ccc(-c2[nH+]ccn2CC2(O)CCCCC2)cc1	ZINC000071714554	191010510	/nfs/dbraw/zinc/01/05/10/191010510.db2.gz	JQAWCNWPQLBAGJ-UHFFFAOYSA-N	0	2	300.358	2.944	30	0		DFACLN
O=S(=O)(Nc1cc(F)cc(F)c1)c1c[nH]c2ncccc12	ZINC000072014955	426006893	/nfs/dbraw/zinc/00/68/93/426006893.db2.gz	KAGXDJHSTZBOMF-UHFFFAOYSA-N	0	2	309.297	2.642	30	0		DFACLN
Cc1c[nH]c(CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)[nH+]1	ZINC000095390552	185351458	/nfs/dbraw/zinc/35/14/58/185351458.db2.gz	XFGFDXZANXYHDZ-ZDUSSCGKSA-N	0	2	311.744	2.768	30	0		DFACLN
CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2F)o1	ZINC000163236300	426093880	/nfs/dbraw/zinc/09/38/80/426093880.db2.gz	BGCMXKJYFOZFOT-UHFFFAOYSA-N	0	2	319.745	2.786	30	0		DFACLN
Cc1c[nH]c(CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)[nH+]1	ZINC000095390553	185351557	/nfs/dbraw/zinc/35/15/57/185351557.db2.gz	XFGFDXZANXYHDZ-CYBMUJFWSA-N	0	2	311.744	2.768	30	0		DFACLN
Cc1ccc(S(=O)(=O)Nc2nc3cc(N)ccc3s2)cc1	ZINC000020980675	182257037	/nfs/dbraw/zinc/25/70/37/182257037.db2.gz	LLTLDNQLBMTXLG-UHFFFAOYSA-N	0	2	319.411	2.988	30	0		DFACLN
Cc1cc(N)cc2sc(NS(=O)(=O)c3ccccc3)nc21	ZINC000020980447	182256576	/nfs/dbraw/zinc/25/65/76/182256576.db2.gz	JJUJLBZJYWXVIK-UHFFFAOYSA-N	0	2	319.411	2.988	30	0		DFACLN
Cc1ccc(S(=O)(=O)Nc2ccnc(C(C)(C)C)n2)cc1	ZINC000095944145	426376016	/nfs/dbraw/zinc/37/60/16/426376016.db2.gz	PBRSYOCHXSUZDQ-UHFFFAOYSA-N	0	2	305.403	2.883	30	0		DFACLN