smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000731073905	1062751173	/nfs/dbraw/zinc/75/11/73/1062751173.db2.gz	KGKRNRXLKGOSJM-UHFFFAOYSA-N	0	2	454.511	2.891	20	10		JFCDLN
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(Br)c(F)cc3O)cc2)C1	ZINC001291872401	1064485192	/nfs/dbraw/zinc/48/51/92/1064485192.db2.gz	UINJVVOIDXZDMT-CYBMUJFWSA-N	0	2	450.308	2.926	20	10		JFCDLN
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC001292064959	1064740363	/nfs/dbraw/zinc/74/03/63/1064740363.db2.gz	CVBQGAJGMUMPKS-UHFFFAOYSA-N	0	2	458.565	2.711	20	10		JFCDLN
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1[N+](=O)[O-]	ZINC000731068353	1062751421	/nfs/dbraw/zinc/75/14/21/1062751421.db2.gz	AQLQGTJCOMNHQA-UHFFFAOYSA-N	0	2	484.537	2.899	20	10		JFCDLN
CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1	ZINC000728503853	1060022449	/nfs/dbraw/zinc/02/24/49/1060022449.db2.gz	CGXGWIJGIMWZPR-UHFFFAOYSA-N	0	2	464.319	2.920	20	10		JFCDLN
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000731051511	1062744346	/nfs/dbraw/zinc/74/43/46/1062744346.db2.gz	PPNHZKDUDXIBRS-UHFFFAOYSA-N	0	2	479.540	2.855	20	10		JFCDLN
COc1cc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CC2)cc(OC)c1OC	ZINC001296158469	1064271803	/nfs/dbraw/zinc/27/18/03/1064271803.db2.gz	UAKNZXNKDKQHHD-UHFFFAOYSA-N	0	2	456.474	2.705	20	10		JFCDLN
COc1ccc(N2CC[NH+](CCNC(=O)c3nn(-c4cc(C)ccc4F)cc3[O-])CC2)cc1	ZINC001292283574	1065056949	/nfs/dbraw/zinc/05/69/49/1065056949.db2.gz	WYAHMFNTAZVSNT-UHFFFAOYSA-N	0	2	453.518	2.586	20	10		JFCDLN
CS(=O)(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000731075358	1062751233	/nfs/dbraw/zinc/75/12/33/1062751233.db2.gz	YZOMXHMRLRJQKJ-UHFFFAOYSA-N	0	2	454.511	2.891	20	10		JFCDLN
CS(=O)(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000731072880	1062751286	/nfs/dbraw/zinc/75/12/86/1062751286.db2.gz	FFYGRLJYJFCGGT-UHFFFAOYSA-N	0	2	454.511	2.891	20	10		JFCDLN
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1	ZINC000728504339	1060022049	/nfs/dbraw/zinc/02/20/49/1060022049.db2.gz	MJLXKSVWUNCZDT-UHFFFAOYSA-N	0	2	450.292	2.530	20	10		JFCDLN
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(Br)c(F)cc3O)cc2)C1	ZINC001291872402	1064485020	/nfs/dbraw/zinc/48/50/20/1064485020.db2.gz	UINJVVOIDXZDMT-ZDUSSCGKSA-N	0	2	450.308	2.926	20	10		JFCDLN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1	ZINC000731074273	1062750625	/nfs/dbraw/zinc/75/06/25/1062750625.db2.gz	NGMBBAHYAPZEGJ-UHFFFAOYSA-N	0	2	484.537	2.899	20	10		JFCDLN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)=N1	ZINC001291872509	1064485881	/nfs/dbraw/zinc/48/58/81/1064485881.db2.gz	XIKFDMZBOZVDGO-KRWDZBQOSA-N	0	2	451.502	2.657	20	10		JFCDLN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)=N1	ZINC001291872510	1064485915	/nfs/dbraw/zinc/48/59/15/1064485915.db2.gz	XIKFDMZBOZVDGO-QGZVFWFLSA-N	0	2	451.502	2.657	20	10		JFCDLN