smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@@H](C)NC(=O)CC#N	6042390	343011967	/nfs/dbraw/zinc/01/19/67/343011967.db2.gz	URVDCVMOZHWTGA-SECBINFHSA-N	0	0	182.267	1.985	30	30		ADECRN
N#CCN1CCC(C(F)(F)F)CC1	83879688	169096328	/nfs/dbraw/zinc/09/63/28/169096328.db2.gz	MKLVIKXYXLNLJF-UHFFFAOYSA-N	0	0	192.184	1.784	30	30		ADECRN
N#CC1=CCC(=O)S1	39294440	169122793	/nfs/dbraw/zinc/12/27/93/169122793.db2.gz	JJJDHCHBIRQYQH-UHFFFAOYSA-N	0	0	125.152	1.325	30	30		ADECRN
N#CCC(=O)Nc1ccc(C#N)cc1	19503770	171034117	/nfs/dbraw/zinc/03/41/17/171034117.db2.gz	JFDWEWOVUDNSHE-UHFFFAOYSA-N	0	0	185.186	1.410	30	30		ADECRN
N#CCC(=O)Nc1cc(F)ccc1F	19515713	171034958	/nfs/dbraw/zinc/03/49/58/171034958.db2.gz	ISWVCVSBAFFZHO-UHFFFAOYSA-N	0	0	196.156	1.817	30	30		ADECRN
N#Cc1cc(N)c(F)c(F)c1	238609073	344815710	/nfs/dbraw/zinc/81/57/10/344815710.db2.gz	DBILIKJKUBILKV-UHFFFAOYSA-N	0	0	154.119	1.419	30	30		ADECRN
N#Cc1cc(F)cc(N)c1F	238683695	344818693	/nfs/dbraw/zinc/81/86/93/344818693.db2.gz	RVKHXRMNEQOOGG-UHFFFAOYSA-N	0	0	154.119	1.419	30	30		ADECRN
N#CCCN1CCC(F)(F)CC1	85652800	325610733	/nfs/dbraw/zinc/61/07/33/325610733.db2.gz	GNMKQBQUKNIDNJ-UHFFFAOYSA-N	0	0	174.194	1.631	30	30		ADECRN
CCCCC[C@H](C)NC(=O)CC#N	6042487	343011833	/nfs/dbraw/zinc/01/18/33/343011833.db2.gz	URVDCVMOZHWTGA-VIFPVBQESA-N	0	0	182.267	1.985	30	30		ADECRN
Cc1c(F)cccc1NC(=O)CC#N	34797477	343125104	/nfs/dbraw/zinc/12/51/04/343125104.db2.gz	PHSBFMDIGVJVAP-UHFFFAOYSA-N	0	0	192.193	1.986	30	30		ADECRN