smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCN(C)c1ccccc1	ZINC000218584381	568482044	/nfs/dbraw/zinc/48/20/44/568482044.db2.gz	VTSAMXDQNJPRAA-UHFFFAOYSA-N	-1	1	423.538	3.662	40	70		HHIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218573569	568481894	/nfs/dbraw/zinc/48/18/94/568481894.db2.gz	ACMOCARDXYVUBE-GOSISDBHSA-N	-1	1	424.522	3.993	40	70		HHIBMM
Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000218573368	568481924	/nfs/dbraw/zinc/48/19/24/568481924.db2.gz	YHHPKYZJCDDAGB-GOSISDBHSA-N	-1	1	424.522	3.993	40	70		HHIBMM
COc1ccccc1CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000218572605	568481928	/nfs/dbraw/zinc/48/19/28/568481928.db2.gz	LWECSVAWMFWUOM-UHFFFAOYSA-N	-1	1	424.522	3.859	40	70		HHIBMM
Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000218592255	568482291	/nfs/dbraw/zinc/48/22/91/568482291.db2.gz	VXGSFTLFPYUNFP-UHFFFAOYSA-N	-1	1	423.538	3.662	40	70		HHIBMM
Cc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000218406737	568479858	/nfs/dbraw/zinc/47/98/58/568479858.db2.gz	NTOVBJYJGFVYEY-GOSISDBHSA-N	-1	1	424.522	3.993	40	70		HHIBMM
O=C(NCCCc1ccc(F)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000218572505	568481887	/nfs/dbraw/zinc/48/18/87/568481887.db2.gz	XVWLVLQZLNAEDH-UHFFFAOYSA-N	-1	1	412.486	3.989	40	70		HHIBMM
Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000218406554	568479821	/nfs/dbraw/zinc/47/98/21/568479821.db2.gz	NQXRDTKQXPGPMH-GOSISDBHSA-N	-1	1	424.522	3.993	40	70		HHIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000218406818	568479869	/nfs/dbraw/zinc/47/98/69/568479869.db2.gz	NTOVBJYJGFVYEY-SFHVURJKSA-N	-1	1	424.522	3.993	40	70		HHIBMM
CN(CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1	ZINC000218408066	568479796	/nfs/dbraw/zinc/47/97/96/568479796.db2.gz	HIQHYBGSSKMCCS-UHFFFAOYSA-N	-1	1	423.538	3.744	40	70		HHIBMM
Cc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1	ZINC000218584271	568482024	/nfs/dbraw/zinc/48/20/24/568482024.db2.gz	FMXVQZBLXJKPLL-UHFFFAOYSA-N	-1	1	424.522	3.913	40	70		HHIBMM
Cc1ccccc1OC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000218406643	568479864	/nfs/dbraw/zinc/47/98/64/568479864.db2.gz	NQXRDTKQXPGPMH-SFHVURJKSA-N	-1	1	424.522	3.993	40	70		HHIBMM
Cc1cc(C(=O)NCCN(C)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000218602233	568482396	/nfs/dbraw/zinc/48/23/96/568482396.db2.gz	LEPGDQIXQAXXAQ-UHFFFAOYSA-N	-1	1	423.538	3.662	40	70		HHIBMM
Cc1ccc(OCCNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218592160	568482288	/nfs/dbraw/zinc/48/22/88/568482288.db2.gz	ZCDIBZFDBVNTEG-UHFFFAOYSA-N	-1	1	424.522	3.913	40	70		HHIBMM
Cc1ccc(OC[C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218573649	568481891	/nfs/dbraw/zinc/48/18/91/568481891.db2.gz	ACMOCARDXYVUBE-SFHVURJKSA-N	-1	1	424.522	3.993	40	70		HHIBMM
COc1cccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1	ZINC000218572705	568481917	/nfs/dbraw/zinc/48/19/17/568481917.db2.gz	AVCSJTHCRPYYAC-UHFFFAOYSA-N	-1	1	424.522	3.859	40	70		HHIBMM
Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1	ZINC000218602126	568482362	/nfs/dbraw/zinc/48/23/62/568482362.db2.gz	VQSMITMSKYNCGD-UHFFFAOYSA-N	-1	1	424.522	3.913	40	70		HHIBMM
COc1ccc(CCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000218572812	568481865	/nfs/dbraw/zinc/48/18/65/568481865.db2.gz	CVCRTMSBYCCPOA-UHFFFAOYSA-N	-1	1	424.522	3.859	40	70		HHIBMM
Cc1ccccc1OC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000218573451	568481853	/nfs/dbraw/zinc/48/18/53/568481853.db2.gz	YHHPKYZJCDDAGB-SFHVURJKSA-N	-1	1	424.522	3.993	40	70		HHIBMM
COc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000218406349	568479899	/nfs/dbraw/zinc/47/98/99/568479899.db2.gz	OQGCGPCTTJMGDH-UHFFFAOYSA-N	-1	1	424.522	3.859	40	70		HHIBMM