smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)cc1	ZINC000216940509	557164227	/nfs/dbraw/zinc/16/42/27/557164227.db2.gz	NJTFUBFXGFBDDM-UHFFFAOYSA-N	0	1	429.586	3.566	40	70		IHIBMN
C[NH+]1CCC(CCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1	ZINC000217021757	557167290	/nfs/dbraw/zinc/16/72/90/557167290.db2.gz	LENXHSINDNPJMO-UHFFFAOYSA-N	0	1	435.977	3.603	40	70		IHIBMN
C[NH+]1CCC(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1	ZINC000217021998	557167364	/nfs/dbraw/zinc/16/73/64/557167364.db2.gz	CLTMXWIIHFKOHQ-UHFFFAOYSA-N	0	1	435.977	3.603	40	70		IHIBMN
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000217576122	557171372	/nfs/dbraw/zinc/17/13/72/557171372.db2.gz	TYBYAPIGYJYMEO-VYCZESIESA-N	0	1	447.293	3.968	40	70		IHIBMN
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940660	557164298	/nfs/dbraw/zinc/16/42/98/557164298.db2.gz	QKQLWKVYRDHYIB-UHFFFAOYSA-N	0	1	443.613	3.874	40	70		IHIBMN
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)cc1	ZINC000216944566	557164573	/nfs/dbraw/zinc/16/45/73/557164573.db2.gz	RQNILRNLGALOSA-UHFFFAOYSA-N	0	1	429.586	3.566	40	70		IHIBMN
O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000217584059	557171747	/nfs/dbraw/zinc/17/17/47/557171747.db2.gz	GILKAXPPISVCGK-YRXWBPOGSA-N	0	1	446.400	3.680	40	70		IHIBMN
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1C	ZINC000216940445	557164333	/nfs/dbraw/zinc/16/43/33/557164333.db2.gz	MCVNASHZUULSMX-UHFFFAOYSA-N	0	1	429.586	3.566	40	70		IHIBMN
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000217583985	557171809	/nfs/dbraw/zinc/17/18/09/557171809.db2.gz	GILKAXPPISVCGK-AKHDSKFASA-N	0	1	446.400	3.680	40	70		IHIBMN
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)cc1C	ZINC000216940612	557164269	/nfs/dbraw/zinc/16/42/69/557164269.db2.gz	WRGDKTVPGVSFED-UHFFFAOYSA-N	0	1	443.613	3.874	40	70		IHIBMN
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)c1C	ZINC000216940562	557164365	/nfs/dbraw/zinc/16/43/65/557164365.db2.gz	GSGZZSTVBRODAS-UHFFFAOYSA-N	0	1	443.613	3.874	40	70		IHIBMN
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2C)cc1	ZINC000216944773	557164695	/nfs/dbraw/zinc/16/46/95/557164695.db2.gz	YWIVTFGUGOHDKI-UHFFFAOYSA-N	0	1	429.586	3.566	40	70		IHIBMN
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940482	557164369	/nfs/dbraw/zinc/16/43/69/557164369.db2.gz	NFVLUWIYTGTYAR-UHFFFAOYSA-N	0	1	429.586	3.566	40	70		IHIBMN
O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000217576210	557171342	/nfs/dbraw/zinc/17/13/42/557171342.db2.gz	TYBYAPIGYJYMEO-NWGLXNPWSA-N	0	1	447.293	3.968	40	70		IHIBMN
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2C)cc1	ZINC000216944346	557164618	/nfs/dbraw/zinc/16/46/18/557164618.db2.gz	MGHMDEKWTQXHMZ-UHFFFAOYSA-N	0	1	429.586	3.566	40	70		IHIBMN
Cc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Br	ZINC000216950517	557165400	/nfs/dbraw/zinc/16/54/00/557165400.db2.gz	GRIAUSOLBMVAOE-UHFFFAOYSA-N	0	1	432.362	3.835	40	70		IHIBMN
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940712	557164260	/nfs/dbraw/zinc/16/42/60/557164260.db2.gz	NQOKNMCFQVSQMU-UHFFFAOYSA-N	0	1	443.613	3.874	40	70		IHIBMN
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2C)c(C)c1	ZINC000216941001	557164350	/nfs/dbraw/zinc/16/43/50/557164350.db2.gz	SGEWLUSIYAHWHP-UHFFFAOYSA-N	0	1	443.613	3.874	40	70		IHIBMN