smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1C=C(F)C(=O)NC1=O	38220732	168128422	/nfs/dbraw/zinc/12/84/22/168128422.db2.gz	ZSFQAJJFUBORSF-UHFFFAOYSA-N	0	2	187.126	0.419	50	10		ACCALN
NC(=S)c1ccc(O)c(O)c1	22141759	169168493	/nfs/dbraw/zinc/16/84/93/169168493.db2.gz	RJTMJGOAYKKXOR-UHFFFAOYSA-N	0	2	169.205	0.732	50	10		ACCALN
O=c1cc(O)n(-c2ccc(F)cc2)[nH]1	3656366	171009651	/nfs/dbraw/zinc/00/96/51/171009651.db2.gz	QICFTQDTMGQDER-UHFFFAOYSA-N	0	2	194.165	0.594	50	10		ACCALN
NC(=O)c1sccc1O	11848541	171023549	/nfs/dbraw/zinc/02/35/49/171023549.db2.gz	RVURYQBOSVZXOT-UHFFFAOYSA-N	0	2	143.167	0.553	50	10	in-vitro	ACCALN
O=C1C=C2CC(=O)NC(=O)C2C(=O)N1	8762149	351358728	/nfs/dbraw/zinc/35/87/28/351358728.db2.gz	PEHAPVAHJLCRSR-UHFFFAOYSA-N	0	2	194.146	0.452	50	10	biogenic	ACCALN
O=Cc1cc(O)c(O)c(C=O)c1	13481372	351368447	/nfs/dbraw/zinc/36/84/47/351368447.db2.gz	YZJVWIUMDDXVEA-UHFFFAOYSA-N	0	2	166.132	0.723	50	10		ACCALN
O=Cc1cc([N+](=O)[O-])cc(O)c1O	13730971	351370990	/nfs/dbraw/zinc/37/09/90/351370990.db2.gz	SCSROOBIOOCHHI-UHFFFAOYSA-N	0	2	183.119	0.819	50	10		ACCALN
O=Cc1ccc(O)c(O)c1[N+](=O)[O-]	13730965	351371199	/nfs/dbraw/zinc/37/11/99/351371199.db2.gz	UICJHWULOYPREF-UHFFFAOYSA-N	0	2	183.119	0.819	50	10	in-vitro	ACCALN
O=Cc1cc(O)c(O)cc1[N+](=O)[O-]	95100161	351668833	/nfs/dbraw/zinc/66/88/33/351668833.db2.gz	SDAAKNQPCGUCNH-UHFFFAOYSA-N	0	2	183.119	0.819	50	10	in-vitro	ACCALN
O=Cc1cc(C=O)c(O)c(O)c1O	75575830	371649165	/nfs/dbraw/zinc/64/91/65/371649165.db2.gz	RUJNFDVEPQRMOS-UHFFFAOYSA-N	0	2	182.131	0.428	50	10		ACCALN