smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=c1[n-]nc(-c2csc3c2CCCC3)n1C1CCCCC1	ZINC000002731796	563340816	/nfs/dbraw/zinc/34/08/16/563340816.db2.gz	RXVCQOXYUNFUDX-UHFFFAOYSA-N	-1	1	319.499	5.053	50	0		DKAAMM
CCCCc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1	ZINC000002896088	563728010	/nfs/dbraw/zinc/72/80/10/563728010.db2.gz	OVHDYLKRDBMWGO-UHFFFAOYSA-N	-1	1	319.404	5.140	50	0		DKAAMM
CCCCCCc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1	ZINC000003180141	180988988	/nfs/dbraw/zinc/98/89/88/180988988.db2.gz	BJNYYTGLBBTOIU-UHFFFAOYSA-N	-1	1	322.404	5.288	50	0		DKAAMM
[O-]c1ccc(Cl)c2ccc(/C=C/c3ccc(Cl)cc3)nc12	ZINC000004123409	181076586	/nfs/dbraw/zinc/07/65/86/181076586.db2.gz	ZKVABOUOABCJPQ-ZZXKWVIFSA-N	-1	1	316.187	5.418	50	0		DKAAMM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2C2CCCC2)cc1	ZINC000006170639	331494406	/nfs/dbraw/zinc/49/44/06/331494406.db2.gz	ICBSLLZHARYRNM-UHFFFAOYSA-N	-1	1	301.459	5.020	50	0		DKAAMM
S=c1[n-]nc(Cc2cccc3ccccc32)n1C1CCCCC1	ZINC000006455327	181341976	/nfs/dbraw/zinc/34/19/76/181341976.db2.gz	LRPOEVQZBIHPFX-UHFFFAOYSA-N	-1	1	323.465	5.190	50	0		DKAAMM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2C2CCCCC2)cc1	ZINC000006670392	181368830	/nfs/dbraw/zinc/36/88/30/181368830.db2.gz	QKYJPEVPLQIUFM-UHFFFAOYSA-N	-1	1	315.486	5.410	50	0		DKAAMM
CCCC[C@@H](CC)CO[P@@](=O)([O-])OC[C@@H](CC)CCCC	ZINC000012358608	563367145	/nfs/dbraw/zinc/36/71/45/563367145.db2.gz	SEGLCEQVOFDUPX-IYBDPMFKSA-N	-1	1	322.426	5.553	50	0		DKAAMM
CCCC[C@@H](CC)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1	ZINC000012505088	563370664	/nfs/dbraw/zinc/37/06/64/563370664.db2.gz	GKJZTGBIBUSJOH-GFCCVEGCSA-N	-1	1	323.893	5.477	50	0		DKAAMM
CCCCCC(=Cc1ccccc1)C=C1SC(=S)[N-]C1=O	ZINC000015933448	563410897	/nfs/dbraw/zinc/41/08/97/563410897.db2.gz	MVZIFKYZRJJMQI-LCPPQYOVSA-N	-1	1	317.479	5.522	50	0		DKAAMM
[O-]c1ccccc1C1=Nc2ccccc2N=C(c2cccs2)C1	ZINC000015974403	182027123	/nfs/dbraw/zinc/02/71/23/182027123.db2.gz	MRRGIZRPKUQDAC-UHFFFAOYSA-N	-1	1	318.401	5.099	50	0	aggregator	DKAAMM
CCc1c(C)scc1-c1n[n-]c(=S)n1C1CCCCC1	ZINC000017031640	182069326	/nfs/dbraw/zinc/06/93/26/182069326.db2.gz	LIDCEPGFFSSUGA-UHFFFAOYSA-N	-1	1	307.488	5.045	50	0		DKAAMM
[O-]c1ccccc1C1=Nc2ccccc2N=C(c2ccccc2)C1	ZINC000017835984	182086192	/nfs/dbraw/zinc/08/61/92/182086192.db2.gz	KAHVHCFQIWBPBS-UHFFFAOYSA-N	-1	1	312.372	5.038	50	0		DKAAMM
CC(C)(C)c1ccc2oc(-c3cc(Cl)ccc3[O-])nc2c1	ZINC000022637865	182329731	/nfs/dbraw/zinc/32/97/31/182329731.db2.gz	VUQMZRUNCFALBQ-UHFFFAOYSA-N	-1	1	301.773	5.151	50	0		DKAAMM
CCCCCC(=Cc1ccccc1)C=C1SC(=S)[N-]C1=O	ZINC000058292280	184101333	/nfs/dbraw/zinc/10/13/33/184101333.db2.gz	MVZIFKYZRJJMQI-GFCQZRJLSA-N	-1	1	317.479	5.522	50	0		DKAAMM
CCCCCC(=Cc1ccccc1)C=C1SC(=S)[N-]C1=O	ZINC000078285938	563960933	/nfs/dbraw/zinc/96/09/33/563960933.db2.gz	MVZIFKYZRJJMQI-KMUHKHSISA-N	-1	1	317.479	5.522	50	0		DKAAMM
O=C1c2cccc3cccc(c32)C([O-])=C1c1cccc2ccccc21	ZINC000100670217	563450306	/nfs/dbraw/zinc/45/03/06/563450306.db2.gz	JJVZZACZUJGWQU-UHFFFAOYSA-N	-1	1	322.363	5.156	50	0		DKAAMM