smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)CC2	ZINC000159375721	326929376	/nfs/dbraw/zinc/92/93/76/326929376.db2.gz	YATIUYADAFGWNT-LLVKDONJSA-N	-1	3	372.853	2.487	10	70		FEIEHM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CC(C)C)CN(C)C	ZINC000161230567	326992503	/nfs/dbraw/zinc/99/25/03/326992503.db2.gz	ROVFGKICLODNTC-OAHLLOKOSA-N	-1	3	361.490	2.077	10	70		FEIEHM
Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)o1	ZINC000160181343	326956414	/nfs/dbraw/zinc/95/64/14/326956414.db2.gz	KJGXCOVUKHVKCS-SNVBAGLBSA-N	-1	3	372.830	2.145	10	70		FEIEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CC2	ZINC000159392343	545949619	/nfs/dbraw/zinc/94/96/19/545949619.db2.gz	QIULDQQNDJOPGU-SECBINFHSA-N	-1	3	360.892	2.410	10	70		FEIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)CC2	ZINC000159389053	545948956	/nfs/dbraw/zinc/94/89/56/545948956.db2.gz	DUJGBKUBBRKNQS-NSHDSACASA-N	-1	3	372.853	2.487	10	70		FEIEHM
Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000159367507	326928886	/nfs/dbraw/zinc/92/88/86/326928886.db2.gz	GKYFLBSPWTWCLU-GFCCVEGCSA-N	-1	3	352.435	2.142	10	70		FEIEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)CC2	ZINC000159388955	326929829	/nfs/dbraw/zinc/92/98/29/326929829.db2.gz	DUJGBKUBBRKNQS-LLVKDONJSA-N	-1	3	372.853	2.487	10	70		FEIEHM
CCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1	ZINC000160921939	326982188	/nfs/dbraw/zinc/98/21/88/326982188.db2.gz	QDRMXRDTBFRMAS-UHFFFAOYSA-N	-1	3	374.890	2.451	10	70		FEIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)CC2	ZINC000159375880	326929146	/nfs/dbraw/zinc/92/91/46/326929146.db2.gz	YATIUYADAFGWNT-NSHDSACASA-N	-1	3	372.853	2.487	10	70		FEIEHM
CC[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCN1CCOC	ZINC000160925781	546085497	/nfs/dbraw/zinc/08/54/97/546085497.db2.gz	NACOJDZUHUQJOG-ZDUSSCGKSA-N	-1	3	371.275	2.338	10	70		FEIEHM
Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000159367641	545947964	/nfs/dbraw/zinc/94/79/64/545947964.db2.gz	GKYFLBSPWTWCLU-LBPRGKRZSA-N	-1	3	352.435	2.142	10	70		FEIEHM
Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)o1	ZINC000160181483	546014740	/nfs/dbraw/zinc/01/47/40/546014740.db2.gz	KJGXCOVUKHVKCS-JTQLQIEISA-N	-1	3	372.830	2.145	10	70		FEIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CC2	ZINC000159392470	545949722	/nfs/dbraw/zinc/94/97/22/545949722.db2.gz	QIULDQQNDJOPGU-VIFPVBQESA-N	-1	3	360.892	2.410	10	70		FEIEHM
CCCC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)OC(C)(C)C	ZINC000161114180	326988235	/nfs/dbraw/zinc/98/82/35/326988235.db2.gz	UUHZDXVNYHMEDT-OAHLLOKOSA-N	-1	3	365.474	2.336	10	70		FEIEHM
Cc1noc([C@@H]2COCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)n1	ZINC000161010934	326984896	/nfs/dbraw/zinc/98/48/96/326984896.db2.gz	ZXAOBDKHBREKDB-AWEZNQCLSA-N	-1	3	357.366	2.072	10	70		FEIEHM
CC(C)[C@H](O)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000160727124	546067058	/nfs/dbraw/zinc/06/70/58/546067058.db2.gz	LBSHORUUTLDYOS-CYBMUJFWSA-N	-1	3	360.451	2.248	10	70		FEIEHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1	ZINC000159672728	326938647	/nfs/dbraw/zinc/93/86/47/326938647.db2.gz	JDTIYWPCIJZFSI-ZIAGYGMSSA-N	-1	3	356.513	2.489	10	70		FEIEHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1	ZINC000159672881	326938622	/nfs/dbraw/zinc/93/86/22/326938622.db2.gz	JDTIYWPCIJZFSI-KGLIPLIRSA-N	-1	3	356.513	2.489	10	70		FEIEHM
CC(C)[C@@H](O)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1	ZINC000160727233	326975249	/nfs/dbraw/zinc/97/52/49/326975249.db2.gz	LBSHORUUTLDYOS-ZDUSSCGKSA-N	-1	3	360.451	2.248	10	70		FEIEHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)s1	ZINC000159673123	545972478	/nfs/dbraw/zinc/97/24/78/545972478.db2.gz	JDTIYWPCIJZFSI-KBPBESRZSA-N	-1	3	356.513	2.489	10	70		FEIEHM
C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)s1	ZINC000159673013	326938702	/nfs/dbraw/zinc/93/87/02/326938702.db2.gz	JDTIYWPCIJZFSI-UONOGXRCSA-N	-1	3	356.513	2.489	10	70		FEIEHM
Cc1noc([C@H]2COCCN2Cc2cc(=O)oc3c(C)c([O-])ccc23)n1	ZINC000161010780	326984828	/nfs/dbraw/zinc/98/48/28/326984828.db2.gz	ZXAOBDKHBREKDB-CQSZACIVSA-N	-1	3	357.366	2.072	10	70		FEIEHM
CC[C@@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCN1CCOC	ZINC000160925649	546085767	/nfs/dbraw/zinc/08/57/67/546085767.db2.gz	NACOJDZUHUQJOG-CYBMUJFWSA-N	-1	3	371.275	2.338	10	70		FEIEHM