smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCOC(=O)C=C(C)O	ZINC000003158922	344516892	/nfs/dbraw/zinc/51/68/92/344516892.db2.gz	CLCYRHCSVWOLHG-UHFFFAOYSA-N	0	1	242.359	3.649	40	30		BHEBMN
C=CCN(CC=C)Cc1ccc(Cl)cc1	ZINC000006562604	368314097	/nfs/dbraw/zinc/31/40/97/368314097.db2.gz	FFGCOLWUJGLOOH-UHFFFAOYSA-N	0	1	221.731	3.514	40	30		BHEBMN
C=CCCSc1nc2ccc(C)cc2[nH]1	ZINC000035167656	166292918	/nfs/dbraw/zinc/29/29/18/166292918.db2.gz	YODLAKOYZRPTPY-UHFFFAOYSA-N	0	1	218.325	3.540	40	30		BHEBMN
CC(N=Nc1ccccc1Cl)c1ccc[nH]1	ZINC000057407865	188301213	/nfs/dbraw/zinc/30/12/13/188301213.db2.gz	MZXIWTAIQRSZNN-OQLLNIDSSA-N	0	1	233.702	3.504	40	30		BHEBMN
CCCCCCCCCCCN1CCOCC1	ZINC000059200547	520015653	/nfs/dbraw/zinc/01/56/53/520015653.db2.gz	LIQBMPCOZRQPQX-UHFFFAOYSA-N	0	1	241.419	3.849	40	30		BHEBMN
CCCCCCCSc1n[nH]c(=S)s1	ZINC000059608275	520066209	/nfs/dbraw/zinc/06/62/09/520066209.db2.gz	ZCUJLYRLTUNSAU-UHFFFAOYSA-N	0	1	248.442	3.889	40	30		BHEBMN
N#CC=C(O)c1ccc(C2CCCCC2)cc1	ZINC000113704473	187293740	/nfs/dbraw/zinc/29/37/40/187293740.db2.gz	REQZDGMWROEVRH-UHFFFAOYSA-N	0	1	227.307	3.831	40	30		BHEBMN
O/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000138723661	368412957	/nfs/dbraw/zinc/41/29/57/368412957.db2.gz	JDGKUMRUJZRBBG-NSIKDUERSA-N	0	1	239.633	3.547	40	30		BHEBMN
CCCC(=O)CC(=O)c1ccc(Cl)cc1	ZINC000408734044	384206217	/nfs/dbraw/zinc/20/62/17/384206217.db2.gz	FXAXURYSODOJBK-WQLSENKSSA-N	0	1	224.687	3.608	40	30		BHEBMN
Oc1ccc(/C=N/c2ccccc2)cc1Cl	ZINC000409217409	385511982	/nfs/dbraw/zinc/51/19/82/385511982.db2.gz	UIYCYGDUDUTBRM-OQLLNIDSSA-N	0	1	231.682	3.796	40	30		BHEBMN
CC(C)c1n[nH]c(C2CCCC2)c1CCC#N	ZINC000409439049	343846321	/nfs/dbraw/zinc/84/63/21/343846321.db2.gz	GEQANOQDLLBMDO-UHFFFAOYSA-N	0	1	231.343	3.647	40	30		BHEBMN
CC(C)c1n[nH]c(-c2ccsc2)c1CCC#N	ZINC000409441261	343855409	/nfs/dbraw/zinc/85/54/09/343855409.db2.gz	QLECJULIXYKDHG-UHFFFAOYSA-N	0	1	245.351	3.718	40	30		BHEBMN