smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)c(Cl)c2ccccc2c1Cl	ZINC000001998879	351858570	/nfs/dbraw/zinc/85/85/70/351858570.db2.gz	RPRHQZVRMWQSMR-UHFFFAOYSA-N	-1	0	247.508	4.506	10	0		BJAERM
CC(C)CCCC/C=C\CCCCCC(=O)[O-]	ZINC000014593455	384271290	/nfs/dbraw/zinc/27/12/90/384271290.db2.gz	MZPZEPZETFNSST-ARJAWSKDSA-N	-1	0	240.387	4.794	10	0		BJAERM
C=CCCCCCCCCCCCC(=O)[O-]	ZINC000014722570	362985498	/nfs/dbraw/zinc/98/54/98/362985498.db2.gz	DIGWSCGMTNOSDZ-UHFFFAOYSA-N	-1	0	226.360	4.548	10	0		BJAERM
[S-]c1cc(Cl)c(Cl)c(Cl)c1Cl	ZINC000033505804	344807410	/nfs/dbraw/zinc/80/74/10/344807410.db2.gz	RQRZJGHZAPYDCZ-UHFFFAOYSA-N	-1	0	247.961	4.589	10	0		BJAERM
[S-]c1c(Cl)cc(Cl)c(Cl)c1Cl	ZINC000033505815	344807295	/nfs/dbraw/zinc/80/72/95/344807295.db2.gz	DKRBSULGQNLLNQ-UHFFFAOYSA-N	-1	0	247.961	4.589	10	0		BJAERM
CCC/C=C/CCCCCCCCC(=O)[O-]	ZINC000034206382	187392811	/nfs/dbraw/zinc/39/28/11/187392811.db2.gz	DECRAQHRGOCKEG-SNAWJCMRSA-N	-1	0	226.360	4.548	10	0		BJAERM
CCCCCC(=C/C=C/C(=O)[O-])CCCCC	ZINC000034317298	345820801	/nfs/dbraw/zinc/82/08/01/345820801.db2.gz	DINOVIMWJXUKNN-UKTHLTGXSA-N	-1	0	238.371	4.714	10	0		BJAERM
CC(C)(C)c1cc([S-])cc(C(C)(C)C)c1	ZINC000034368232	345823370	/nfs/dbraw/zinc/82/33/70/345823370.db2.gz	IVZUKFYFBUPLRZ-UHFFFAOYSA-N	-1	0	222.397	4.570	10	0		BJAERM
Cc1cc2c(cc1[S-])C(C)(C)CCC2(C)C	ZINC000038998250	347172088	/nfs/dbraw/zinc/17/20/88/347172088.db2.gz	AUYQNTACFZFTKM-UHFFFAOYSA-N	-1	0	234.408	4.633	10	0		BJAERM
CCC/C=C\CCCCCCCCC(=O)[O-]	ZINC000083332374	388048889	/nfs/dbraw/zinc/04/88/89/388048889.db2.gz	DECRAQHRGOCKEG-PLNGDYQASA-N	-1	0	226.360	4.548	10	0		BJAERM
C=C(CCCCCCCCCCCC)C(=O)[O-]	ZINC000111491064	368858180	/nfs/dbraw/zinc/85/81/80/368858180.db2.gz	RDBNAQJXOYZUFL-UHFFFAOYSA-N	-1	0	240.387	4.938	10	0		BJAERM
O=Nc1cc2c3c(cccc3c1[O-])-c1ccccc1-2	ZINC000149367338	342793393	/nfs/dbraw/zinc/79/33/93/342793393.db2.gz	RNQHDWNWKUDIMI-UHFFFAOYSA-N	-1	0	247.253	4.591	10	0		BJAERM
O=C([O-])CCCCCCCCC1CCCCC1	ZINC000149482818	342794204	/nfs/dbraw/zinc/79/42/04/342794204.db2.gz	XRGQSWARRRRQLK-UHFFFAOYSA-N	-1	0	240.387	4.772	10	0		BJAERM