smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000834050528	605817689	/nfs/dbraw/zinc/81/76/89/605817689.db2.gz	ZFQUTTGJZNPMRE-ZDUSSCGKSA-N	0	2	374.828	3.111	20	50		FGGDLN
CCCCCC[C@@H](CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825270672	608575527	/nfs/dbraw/zinc/57/55/27/608575527.db2.gz	BGPOJJDYWYQYBZ-LLVKDONJSA-N	0	2	365.869	3.355	20	50		FGGDLN
O=C([O-])c1ccc(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)cc1F	ZINC000833148952	604923700	/nfs/dbraw/zinc/92/37/00/604923700.db2.gz	VAEOKCIWFSRSBJ-UHFFFAOYSA-N	0	2	359.744	3.482	20	50		FGGDLN
O=C([O-])NCc1ccc(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)o1	ZINC000832701632	603440423	/nfs/dbraw/zinc/44/04/23/603440423.db2.gz	BJGHUFPEZPXFBG-UHFFFAOYSA-N	0	2	360.757	3.006	20	50		FGGDLN
CCCCc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1	ZINC000825296473	608576964	/nfs/dbraw/zinc/57/69/64/608576964.db2.gz	KMRGSQFNQKIDMO-UHFFFAOYSA-N	0	2	371.832	3.015	20	50		FGGDLN
O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000832323200	603440458	/nfs/dbraw/zinc/44/04/58/603440458.db2.gz	CFIAVIVIECGSJK-JQWIXIFHSA-N	0	2	362.817	3.158	20	50		FGGDLN
N#CC(=Cc1ccc(O)c(Cl)c1)C(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826379657	608217770	/nfs/dbraw/zinc/21/77/70/608217770.db2.gz	YFXDBBVTDZKXRS-MLPAPPSSSA-N	0	2	351.753	3.016	20	50		FGGDLN
O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000832323201	603440304	/nfs/dbraw/zinc/44/03/04/603440304.db2.gz	CFIAVIVIECGSJK-PWSUYJOCSA-N	0	2	362.817	3.158	20	50		FGGDLN
CC[NH+](CC)[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1	ZINC000829666805	602346332	/nfs/dbraw/zinc/34/63/32/602346332.db2.gz	SSSFMEZIGCTHHM-QGZVFWFLSA-N	0	2	372.377	3.282	20	50		FGGDLN
CCCCCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825272106	608573327	/nfs/dbraw/zinc/57/33/27/608573327.db2.gz	VBYWNGXUSTVMGO-UHFFFAOYSA-N	0	2	351.842	3.109	20	50		FGGDLN
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000834050514	605817790	/nfs/dbraw/zinc/81/77/90/605817790.db2.gz	ZFQUTTGJZNPMRE-CYBMUJFWSA-N	0	2	374.828	3.111	20	50		FGGDLN
O=C(CCCC1CCCCC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000826406045	608572372	/nfs/dbraw/zinc/57/23/72/608572372.db2.gz	FQQNRHCRWYIIRW-UHFFFAOYSA-N	0	2	363.853	3.109	20	50		FGGDLN
O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000832323199	603440518	/nfs/dbraw/zinc/44/05/18/603440518.db2.gz	CFIAVIVIECGSJK-CMPLNLGQSA-N	0	2	362.817	3.158	20	50		FGGDLN
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)C1	ZINC000832323202	603440497	/nfs/dbraw/zinc/44/04/97/603440497.db2.gz	CFIAVIVIECGSJK-ZYHUDNBSSA-N	0	2	362.817	3.158	20	50		FGGDLN
Cc1cc[nH+]c(NNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c1	ZINC000832983954	602144376	/nfs/dbraw/zinc/14/43/76/602144376.db2.gz	JYKOEENWQUMVEV-UHFFFAOYSA-N	0	2	354.288	3.256	20	50		FGGDLN
CCCCCC[C@H](CC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825270674	608575431	/nfs/dbraw/zinc/57/54/31/608575431.db2.gz	BGPOJJDYWYQYBZ-NSHDSACASA-N	0	2	365.869	3.355	20	50		FGGDLN
CCCCCC[C@@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825271095	608579522	/nfs/dbraw/zinc/57/95/22/608579522.db2.gz	GSNCFXGHKGDFGR-LLVKDONJSA-N	0	2	365.869	3.355	20	50		FGGDLN
O=C([O-])Nc1cc(C(=O)NNc2cc[nH+]cc2Cl)cc(C(F)(F)F)c1	ZINC000833281924	602145054	/nfs/dbraw/zinc/14/50/54/602145054.db2.gz	RQFRGBOASDHSGU-UHFFFAOYSA-N	0	2	374.706	3.023	20	50		FGGDLN
CC[C@@H](C)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1	ZINC000825075138	608574127	/nfs/dbraw/zinc/57/41/27/608574127.db2.gz	MSKJAXOPMQYDSK-SNVBAGLBSA-N	0	2	371.832	3.186	20	50		FGGDLN
CC[NH+](CC)[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1	ZINC000829666804	602346207	/nfs/dbraw/zinc/34/62/07/602346207.db2.gz	SSSFMEZIGCTHHM-KRWDZBQOSA-N	0	2	372.377	3.282	20	50		FGGDLN
CCCCCC[C@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825271096	608579499	/nfs/dbraw/zinc/57/94/99/608579499.db2.gz	GSNCFXGHKGDFGR-NSHDSACASA-N	0	2	365.869	3.355	20	50		FGGDLN
CC[C@H](C)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1	ZINC000825075135	608574398	/nfs/dbraw/zinc/57/43/98/608574398.db2.gz	MSKJAXOPMQYDSK-JTQLQIEISA-N	0	2	371.832	3.186	20	50		FGGDLN
CCCCCCCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825271792	608578055	/nfs/dbraw/zinc/57/80/55/608578055.db2.gz	OIIIOUZQSMOOTO-UHFFFAOYSA-N	0	2	365.869	3.499	20	50		FGGDLN
N#CC(=Cc1ccc(O)c(Cl)c1)C(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826379656	608217713	/nfs/dbraw/zinc/21/77/13/608217713.db2.gz	YFXDBBVTDZKXRS-AWNIVKPZSA-N	0	2	351.753	3.016	20	50		FGGDLN