smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O	ZINC000000136146	567819642	/nfs/dbraw/zinc/81/96/42/567819642.db2.gz	ANUSOIHIIPAHJV-UHFFFAOYSA-N	0	2	287.167	4.556	50	0	in-man	CJAALN
c1ccc2sc(Nc3nc4ccccc4s3)nc2c1	ZINC000000470825	567932788	/nfs/dbraw/zinc/93/27/88/567932788.db2.gz	BAKKCCVQOIFVKD-UHFFFAOYSA-N	0	2	283.381	4.650	50	0		CJAALN
Oc1c(Cl)cc(-c2nc3ccccc3s2)cc1Cl	ZINC000000570157	567833618	/nfs/dbraw/zinc/83/36/18/567833618.db2.gz	MBFVAPULZYHLSV-UHFFFAOYSA-N	0	2	296.178	4.976	50	0		CJAALN
CCCCCC1CCC(c2n[nH]c(=S)o2)CC1	ZINC000002511806	567846168	/nfs/dbraw/zinc/84/61/68/567846168.db2.gz	HWQQUVXVUDIVHG-UHFFFAOYSA-N	0	2	254.399	4.586	50	0		CJAALN
C[C@@H]1CC[C@@](C)(COC(=S)Nc2ccccc2)C1(C)C	ZINC000004235355	567856148	/nfs/dbraw/zinc/85/61/48/567856148.db2.gz	WSCQPJOIYBRJQZ-DYVFJYSZSA-N	0	2	291.460	4.862	50	0		CJAALN
C[C@H]1CC[C@@](C)(COC(=S)Nc2ccccc2)C1(C)C	ZINC000004235356	567856070	/nfs/dbraw/zinc/85/60/70/567856070.db2.gz	WSCQPJOIYBRJQZ-GUYCJALGSA-N	0	2	291.460	4.862	50	0		CJAALN
C[C@@H]1CC[C@](C)(COC(=S)Nc2ccccc2)C1(C)C	ZINC000004235357	567856136	/nfs/dbraw/zinc/85/61/36/567856136.db2.gz	WSCQPJOIYBRJQZ-CXAGYDPISA-N	0	2	291.460	4.862	50	0		CJAALN
C[C@H]1CC[C@](C)(COC(=S)Nc2ccccc2)C1(C)C	ZINC000004235358	567856145	/nfs/dbraw/zinc/85/61/45/567856145.db2.gz	WSCQPJOIYBRJQZ-SUMWQHHRSA-N	0	2	291.460	4.862	50	0		CJAALN
Cc1ccc(C(=O)C=C(O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000004600094	570235359	/nfs/dbraw/zinc/23/53/59/570235359.db2.gz	MIGOZOUJAOVMKM-UHFFFAOYSA-N	0	2	294.394	4.748	50	0		CJAALN
CCCCCCc1c(C)c2cc(Cl)c(O)cc2oc1=O	ZINC000004749555	170011484	/nfs/dbraw/zinc/01/14/84/170011484.db2.gz	QSYDWVWKCPCPIS-UHFFFAOYSA-N	0	2	294.778	4.583	50	0		CJAALN
CCCCc1cc2c(cc1O)occ(-c1ccccc1)c2=O	ZINC000005897635	170152056	/nfs/dbraw/zinc/15/20/56/170152056.db2.gz	VMWIWCJCPQRYSA-UHFFFAOYSA-N	0	2	294.350	4.508	50	0		CJAALN
CSc1ccccc1NC(=S)Nc1cccc(C)c1	ZINC000006967667	170259623	/nfs/dbraw/zinc/25/96/23/170259623.db2.gz	VZSBXOOWDFQUID-UHFFFAOYSA-N	0	2	288.441	4.526	50	0		CJAALN
CC(C)(C)c1ccc(-c2c/c(=N\O)c3ccccc3o2)cc1	ZINC000012418180	570317634	/nfs/dbraw/zinc/31/76/34/570317634.db2.gz	HHTOYPRLBGKTDU-CAPFRKAQSA-N	0	2	293.366	4.687	50	0		CJAALN
Clc1cc(Cl)c(O[C@@H]2CCCCO2)cc1Cl	ZINC000044124607	175143633	/nfs/dbraw/zinc/14/36/33/175143633.db2.gz	SGFGNVUSJGALDH-LLVKDONJSA-N	0	2	281.566	4.552	50	0		CJAALN
Clc1cc(Cl)c(O[C@H]2CCCCO2)cc1Cl	ZINC000044124611	175143579	/nfs/dbraw/zinc/14/35/79/175143579.db2.gz	SGFGNVUSJGALDH-NSHDSACASA-N	0	2	281.566	4.552	50	0		CJAALN
CN(Cc1ccccc1Cl)Cc1ccccc1Cl	ZINC000044124692	175143566	/nfs/dbraw/zinc/14/35/66/175143566.db2.gz	JLOJISJOCSMFIT-UHFFFAOYSA-N	0	2	280.198	4.625	50	0		CJAALN