smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc([N-]C(=O)c2cc(I)c(F)cc2F)s1	ZINC000159608394	565212823	/nfs/dbraw/zinc/21/28/23/565212823.db2.gz	BVGZVZJYPSTVND-UHFFFAOYSA-N	-1	3	395.172	3.236	10	70		GGIEHM
C[C@@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CS(C)(=O)=O	ZINC000159661583	565213702	/nfs/dbraw/zinc/21/37/02/565213702.db2.gz	WIYOJPFOLYEMCW-JTQLQIEISA-N	-1	3	398.531	3.159	10	70		GGIEHM
CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1)c1nccs1	ZINC000159929711	565225414	/nfs/dbraw/zinc/22/54/14/565225414.db2.gz	SZMFCBGJKJNYSY-HNNXBMFYSA-N	-1	3	381.523	3.055	10	70		GGIEHM
NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c1	ZINC000161120039	565274166	/nfs/dbraw/zinc/27/41/66/565274166.db2.gz	MTZPZDWNPQLUDC-UHFFFAOYSA-N	-1	3	389.658	3.002	10	70		GGIEHM
CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1)c1nccs1	ZINC000159929854	565224545	/nfs/dbraw/zinc/22/45/45/565224545.db2.gz	SZMFCBGJKJNYSY-OAHLLOKOSA-N	-1	3	381.523	3.055	10	70		GGIEHM
C[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CS(C)(=O)=O	ZINC000159661721	565214484	/nfs/dbraw/zinc/21/44/84/565214484.db2.gz	WIYOJPFOLYEMCW-SNVBAGLBSA-N	-1	3	398.531	3.159	10	70		GGIEHM
COc1ccc(S(=O)(=O)[N-]CCc2ccccc2O)c(Cl)c1Cl	ZINC000159671563	565215141	/nfs/dbraw/zinc/21/51/41/565215141.db2.gz	KOTIQHOQAFITLX-UHFFFAOYSA-N	-1	3	376.261	3.229	10	70		GGIEHM
COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cc1Cl	ZINC000160972224	565266786	/nfs/dbraw/zinc/26/67/86/565266786.db2.gz	QWXKVSXOPQXLID-UHFFFAOYSA-N	-1	3	397.733	3.484	10	70		GGIEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2	ZINC000159392012	565205784	/nfs/dbraw/zinc/20/57/84/565205784.db2.gz	LODCFHULDKURFV-SNVBAGLBSA-N	-1	3	389.308	3.002	10	70		GGIEHM
O=C(c1ccccc1)N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000160510909	565248432	/nfs/dbraw/zinc/24/84/32/565248432.db2.gz	IQFSFLABWLTQAB-UHFFFAOYSA-N	-1	3	398.937	3.232	10	70		GGIEHM
CC1(C)Cc2nc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)sc2C(=O)C1	ZINC000161040338	565270399	/nfs/dbraw/zinc/27/03/99/565270399.db2.gz	MQXAFFHEMLFJRY-UHFFFAOYSA-N	-1	3	384.504	3.016	10	70		GGIEHM
O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCC1=CCCC1	ZINC000161254655	565279608	/nfs/dbraw/zinc/27/96/08/565279608.db2.gz	ZDRVWGVOMYUEEG-UHFFFAOYSA-N	-1	3	391.320	3.278	10	70		GGIEHM
CCN(CCc1nccs1)C(=O)NCc1ccc([O-])c(Br)c1	ZINC000160038451	565229002	/nfs/dbraw/zinc/22/90/02/565229002.db2.gz	XWZBMPOOLUOGEL-UHFFFAOYSA-N	-1	3	384.299	3.385	10	70		GGIEHM
CS(=O)(=O)CCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000160909929	565264386	/nfs/dbraw/zinc/26/43/86/565264386.db2.gz	ZQWLVCGXHLKYFR-UHFFFAOYSA-N	-1	3	398.531	3.303	10	70		GGIEHM
Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](O)Cc3ccccc3)s2)cs1	ZINC000161042991	565269687	/nfs/dbraw/zinc/26/96/87/565269687.db2.gz	KBXTWWOMIPJTIV-AWEZNQCLSA-N	-1	3	394.543	3.062	10	70		GGIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2	ZINC000159392164	565205655	/nfs/dbraw/zinc/20/56/55/565205655.db2.gz	LODCFHULDKURFV-JTQLQIEISA-N	-1	3	389.308	3.002	10	70		GGIEHM
Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)s1	ZINC000160126281	565231851	/nfs/dbraw/zinc/23/18/51/565231851.db2.gz	XPEOXWXTXQNMTN-UHFFFAOYSA-N	-1	3	399.694	3.485	10	70		GGIEHM
O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cc2c(cc1Cl)OCCO2	ZINC000161003891	565267880	/nfs/dbraw/zinc/26/78/80/565267880.db2.gz	MJVVZYRPITUSEQ-UHFFFAOYSA-N	-1	3	397.733	3.468	10	70		GGIEHM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000160095051	565230517	/nfs/dbraw/zinc/23/05/17/565230517.db2.gz	AYRVTWVJZVJWCZ-SNVBAGLBSA-N	-1	3	399.713	3.004	10	70		GGIEHM
CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F	ZINC000160289781	565240180	/nfs/dbraw/zinc/24/01/80/565240180.db2.gz	NTEQEGFSJPLCBY-SECBINFHSA-N	-1	3	390.221	3.171	10	70		GGIEHM
CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F	ZINC000160289635	565240575	/nfs/dbraw/zinc/24/05/75/565240575.db2.gz	NTEQEGFSJPLCBY-VIFPVBQESA-N	-1	3	390.221	3.171	10	70		GGIEHM
COc1ccc(Br)cc1CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1	ZINC000160443249	565245747	/nfs/dbraw/zinc/24/57/47/565245747.db2.gz	GNTSLFQUQAUESC-UHFFFAOYSA-N	-1	3	391.225	3.325	10	70		GGIEHM
COc1ccc(Br)cc1CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1	ZINC000160443249	565245753	/nfs/dbraw/zinc/24/57/53/565245753.db2.gz	GNTSLFQUQAUESC-UHFFFAOYSA-N	-1	3	391.225	3.325	10	70		GGIEHM
COc1ccc(Br)cc1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1	ZINC000160443249	565245755	/nfs/dbraw/zinc/24/57/55/565245755.db2.gz	GNTSLFQUQAUESC-UHFFFAOYSA-N	-1	3	391.225	3.325	10	70		GGIEHM
CCCC1(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)CC1	ZINC000160815593	565260667	/nfs/dbraw/zinc/26/06/67/565260667.db2.gz	DVTYSQCJHADFQE-UHFFFAOYSA-N	-1	3	382.507	3.130	10	70		GGIEHM
Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)n1	ZINC000160032356	565227743	/nfs/dbraw/zinc/22/77/43/565227743.db2.gz	FGVXKDKXDZEBKV-UHFFFAOYSA-N	-1	3	393.665	3.424	10	70		GGIEHM
CCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000160094908	565230368	/nfs/dbraw/zinc/23/03/68/565230368.db2.gz	AYRVTWVJZVJWCZ-JTQLQIEISA-N	-1	3	399.713	3.004	10	70		GGIEHM
O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F	ZINC000161044680	565270329	/nfs/dbraw/zinc/27/03/29/565270329.db2.gz	WDTRDNOCFAYDJL-ZDUSSCGKSA-N	-1	3	393.814	3.241	10	70		GGIEHM