smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)SCCc1cccs1	217831164	583490259	/nfs/dbraw/zinc/49/02/59/583490259.db2.gz	URSXCSUAMNKOBS-UHFFFAOYSA-N	0	0	186.345	3.432	20	70		AGIDRN
CC(C)C[C@H](C)OC(=O)C(C)(C)C	217743631	583490401	/nfs/dbraw/zinc/49/04/01/583490401.db2.gz	YYEYUBFTZAVSOM-VIFPVBQESA-N	0	0	186.295	3.010	20	70		AGIDRN
CC(C)C[C@@H](C)OC(=O)C(C)(C)C	217743553	583490636	/nfs/dbraw/zinc/49/06/36/583490636.db2.gz	YYEYUBFTZAVSOM-SECBINFHSA-N	0	0	186.295	3.010	20	70		AGIDRN
CCC(CC)c1nc(C(C)C)no1	218587861	490070300	/nfs/dbraw/zinc/07/03/00/490070300.db2.gz	FRTDHHUVHHBZFR-UHFFFAOYSA-N	0	0	182.267	3.097	20	70		AGIDRN
Oc1ccc(SC2CCC2)cc1	160218160	344160229	/nfs/dbraw/zinc/16/02/29/344160229.db2.gz	WQTLRJOEUIVIKQ-UHFFFAOYSA-N	0	0	180.272	3.037	20	70		AGIDRN
Fc1ccccc1O[C@@H]1C=CCCC1	161027045	344183468	/nfs/dbraw/zinc/18/34/68/344183468.db2.gz	XHKXEMNPKKIZNI-SNVBAGLBSA-N	0	0	192.233	3.313	20	70		AGIDRN
Cc1cccc(F)c1NCCC1CC1	160315734	344162518	/nfs/dbraw/zinc/16/25/18/344162518.db2.gz	BJRHFSGQUIAAAC-UHFFFAOYSA-N	0	0	193.265	3.346	20	70		AGIDRN
Fc1ccccc1O[C@H]1C=CCCC1	161026934	344183337	/nfs/dbraw/zinc/18/33/37/344183337.db2.gz	XHKXEMNPKKIZNI-JTQLQIEISA-N	0	0	192.233	3.313	20	70		AGIDRN
Oc1ccccc1SC1CCC1	161491780	344192037	/nfs/dbraw/zinc/19/20/37/344192037.db2.gz	SCCOTRIIRGPXDY-UHFFFAOYSA-N	0	0	180.272	3.037	20	70		AGIDRN
Oc1cccc(SC2CCC2)c1	161492022	344192088	/nfs/dbraw/zinc/19/20/88/344192088.db2.gz	OCEAQJBBTVKPKD-UHFFFAOYSA-N	0	0	180.272	3.037	20	70		AGIDRN
Cc1cccc(OCC2CC2)c1C	217493803	344402542	/nfs/dbraw/zinc/40/25/42/344402542.db2.gz	NVEVINHRCCGUTR-UHFFFAOYSA-N	0	0	176.259	3.092	20	70		AGIDRN
CNc1cccc(OC2CCCC2)c1	217713627	344405074	/nfs/dbraw/zinc/40/50/74/344405074.db2.gz	CPRPHTLKLAVXRK-UHFFFAOYSA-N	0	0	191.274	3.050	20	70		AGIDRN
Cc1cccc(OCC(C)C)c1C	217799589	344406112	/nfs/dbraw/zinc/40/61/12/344406112.db2.gz	NYGGRKRSOXMDAH-UHFFFAOYSA-N	0	0	178.275	3.338	20	70		AGIDRN
CSCCOc1cccc(C)c1C	217823500	344406695	/nfs/dbraw/zinc/40/66/95/344406695.db2.gz	HTMMYRWXHWYKJM-UHFFFAOYSA-N	0	0	196.315	3.045	20	70		AGIDRN
CSCCOc1ccc(C)c(C)c1	217821417	344406700	/nfs/dbraw/zinc/40/67/00/344406700.db2.gz	CENYDOALRGJEQD-UHFFFAOYSA-N	0	0	196.315	3.045	20	70		AGIDRN
C1=CCOC2(CC1)CCCCC2	218657609	344414844	/nfs/dbraw/zinc/41/48/44/344414844.db2.gz	HXIFZKATLASQKW-UHFFFAOYSA-N	0	0	166.264	3.056	20	70		AGIDRN
CCCCOc1c(F)cccc1F	218701074	409514918	/nfs/dbraw/zinc/51/49/18/409514918.db2.gz	RBURNMPAOIOGDF-UHFFFAOYSA-N	0	0	186.201	3.144	20	70		AGIDRN