smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC[C@@]2(CO)C(=C3C=C[C@H]4[C@@](C)(CC[C@H]5[C@](C)(CO)[C@@H](O)CC[C@]45C)[C@]3(C)C[C@@H]2O)C1	ZINC000031343414	563107957	/nfs/dbraw/zinc/10/79/57/563107957.db2.gz	QGNVMEXLLPGQEV-HSFRRAFJSA-N	0	0	472.710	5.005	30	0		JKACRN
Cc1ccc2c(cccc2NC[C@](O)(CC(C)(C)c2cc(F)cc3c2OCC3)C(F)(F)F)n1	ZINC000035952535	563121438	/nfs/dbraw/zinc/12/14/38/563121438.db2.gz	VJGFOYBQOIPQFY-XMMPIXPASA-N	0	0	462.487	5.690	30	0	investigational	JKACRN
Brc1cc2cc(Br)c(OC3CCCCC3)nc2nc1OC1CCCCC1	ZINC000067792721	518207722	/nfs/dbraw/zinc/20/77/22/518207722.db2.gz	YTBUIJSJUMSXRT-UHFFFAOYSA-N	0	0	484.232	6.578	30	0		JKACRN
CC#C[C@@H](CC(=O)[O-])c1ccc(OCc2ccc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)s2)cc1	ZINC000117691287	569862818	/nfs/dbraw/zinc/86/28/18/569862818.db2.gz	YSVQUSMRABAJAR-VWLOTQADSA-N	0	0	497.660	6.469	30	0		JKACRN
Cc1nc(SCc2ccc(F)cc2)nc(OCC(=O)c2ccccc2)c1Cc1ccccc1	ZINC000015444084	555909513	/nfs/dbraw/zinc/90/95/13/555909513.db2.gz	NXKBTZIDMIYDGV-UHFFFAOYSA-N	0	0	458.558	6.069	30	0		JKACRN