smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1F	ZINC000000268462	563989986	/nfs/dbraw/zinc/98/99/86/563989986.db2.gz	GPAKLWPXFYRTRN-CCOVPTLTSA-N	1	3	326.462	3.603	50	30		EHEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1F	ZINC000000268457	563990012	/nfs/dbraw/zinc/99/00/12/563990012.db2.gz	GPAKLWPXFYRTRN-VQIMKDEXSA-N	1	3	326.462	3.603	50	30		EHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000004785965	563974508	/nfs/dbraw/zinc/97/45/08/563974508.db2.gz	GPHLTCKTXWKKLY-KPENOIPVSA-N	1	3	328.528	3.916	50	30		EHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1F	ZINC000004786027	563974520	/nfs/dbraw/zinc/97/45/20/563974520.db2.gz	SMGBVEFRSSVHRG-KVMVOAJRSA-N	1	3	340.489	3.993	50	30		EHEAHO
C=CCn1cc(CNCCC2CC[NH+](C3CCCC3)CC2)c(C)n1	ZINC000055042500	258014923	/nfs/dbraw/zinc/01/49/23/258014923.db2.gz	FVPJUEIIEUAROA-UHFFFAOYSA-N	1	3	330.520	3.512	50	30		EHEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1cccnc1	ZINC000004456052	210193472	/nfs/dbraw/zinc/19/34/72/210193472.db2.gz	ZJWOYAQAYZYREN-VUFYJBQKSA-N	1	3	343.477	3.654	50	30		EHEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccco1	ZINC000000268285	563990024	/nfs/dbraw/zinc/99/00/24/563990024.db2.gz	DPZVUWYQASLJBW-VUFYJBQKSA-N	1	3	346.477	3.847	50	30		EHEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccco1	ZINC000004785742	210278207	/nfs/dbraw/zinc/27/82/07/210278207.db2.gz	CQEZNCRBEIZIPU-MPMPPSQCSA-N	1	3	332.450	3.852	50	30		EHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(O)cc1	ZINC000002268247	564125380	/nfs/dbraw/zinc/12/53/80/564125380.db2.gz	YWXQQJZJCANLIC-DZBQEORWSA-N	1	3	338.498	3.560	50	30		EHEAHO
C=CCOc1cccc(CN(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1	ZINC000063833380	564066439	/nfs/dbraw/zinc/06/64/39/564066439.db2.gz	XPOSITPIBGIKOT-PZJWPPBQSA-N	1	3	328.500	3.948	50	30		EHEAHO
C=CCOc1cccc(CN(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000063833380	564066440	/nfs/dbraw/zinc/06/64/40/564066440.db2.gz	XPOSITPIBGIKOT-PZJWPPBQSA-N	1	3	328.500	3.948	50	30		EHEAHO
C=CCC[C@H](NCC(C)(C)N1CCC([NH+](C)C)CC1)c1ccco1	ZINC000225632969	563995928	/nfs/dbraw/zinc/99/59/28/563995928.db2.gz	FAGXGICATAADMH-SFHVURJKSA-N	1	3	333.520	3.681	50	30		EHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1F	ZINC000004786026	210278905	/nfs/dbraw/zinc/27/89/05/210278905.db2.gz	SMGBVEFRSSVHRG-AXLWCPOOSA-N	1	3	340.489	3.993	50	30		EHEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccco1	ZINC000000268286	563989988	/nfs/dbraw/zinc/98/99/88/563989988.db2.gz	DPZVUWYQASLJBW-CCRNYGKSSA-N	1	3	346.477	3.847	50	30		EHEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1cccnc1	ZINC000004456053	210193411	/nfs/dbraw/zinc/19/34/11/210193411.db2.gz	ZJWOYAQAYZYREN-CCRNYGKSSA-N	1	3	343.477	3.654	50	30		EHEAHO
C=CCC[C@@H](NCC(C)(C)N1CCC([NH+](C)C)CC1)c1ccco1	ZINC000225633001	563995943	/nfs/dbraw/zinc/99/59/43/563995943.db2.gz	FAGXGICATAADMH-GOSISDBHSA-N	1	3	333.520	3.681	50	30		EHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(O)cc1	ZINC000002268248	209834708	/nfs/dbraw/zinc/83/47/08/209834708.db2.gz	YWXQQJZJCANLIC-JVVDOCDTSA-N	1	3	338.498	3.560	50	30		EHEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccco1	ZINC000004785741	210278794	/nfs/dbraw/zinc/27/87/94/210278794.db2.gz	CQEZNCRBEIZIPU-SWEABUAFSA-N	1	3	332.450	3.852	50	30		EHEAHO
C=C(C)COc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1OC	ZINC000097105359	563967677	/nfs/dbraw/zinc/96/76/77/563967677.db2.gz	LOTBKTONHLBUNX-UHFFFAOYSA-N	1	3	344.499	3.710	50	30		EHEAHO
C=C(C)COc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1OC	ZINC000097105359	563967678	/nfs/dbraw/zinc/96/76/78/563967678.db2.gz	LOTBKTONHLBUNX-UHFFFAOYSA-N	1	3	344.499	3.710	50	30		EHEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000004785497	210278466	/nfs/dbraw/zinc/27/84/66/210278466.db2.gz	AINMPZBUKOCVHE-CCOVPTLTSA-N	1	3	340.901	3.894	50	30		EHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000004785964	210278851	/nfs/dbraw/zinc/27/88/51/210278851.db2.gz	GPHLTCKTXWKKLY-YUSFRKCESA-N	1	3	328.528	3.916	50	30		EHEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000004785496	210278677	/nfs/dbraw/zinc/27/86/77/210278677.db2.gz	AINMPZBUKOCVHE-VQIMKDEXSA-N	1	3	340.901	3.894	50	30		EHEAHO