smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccccc1C#Cc1ccc(=O)n(O)c1	ZINC000040424041	174258405	/nfs/dbraw/zinc/25/84/05/174258405.db2.gz	UTFCRDZLUGEEFS-UHFFFAOYSA-N	0	2	290.300	0.133	1	30		CCEFLN
O=C(N[C@H]1CC2(C=CC(=O)C=C2)OC1=O)C(F)(F)F	ZINC000005600568	170118198	/nfs/dbraw/zinc/11/81/98/170118198.db2.gz	NSIRBHFKCPLJTA-ZETCQYMHSA-N	0	2	275.182	0.414	1	30		CCEFLN
Nc1ccc(S(=O)(=O)N=C(O)NCCS)cc1	ZINC000038990438	174161159	/nfs/dbraw/zinc/16/11/59/174161159.db2.gz	LHVDNDIAMJOEKH-UHFFFAOYSA-N	0	2	275.355	0.391	1	30	in-vivo	CCEFLN
CCc1cc(C(=O)Nc2nn[nH]n2)c(O)c(C(C)=NO)c1	ZINC000027629225	171524516	/nfs/dbraw/zinc/52/45/16/171524516.db2.gz	UXRVZWPNINDCIE-OMCISZLKSA-N	0	2	290.283	0.918	1	30		CCEFLN
CC1=C[C@H]2[C@H](O1)C1=C(O)C=CC(=O)C1=C[C@@H]2[N+](=O)[O-]	ZINC000195496967	535253532	/nfs/dbraw/zinc/25/35/32/535253532.db2.gz	XGENLEJKGKDUAR-RUNRMZSQSA-N	0	2	261.233	0.815	1	30		CCEFLN
N#C/C(Cn1c[n+](NC(=O)Nc2ccccc2)cn1)=N\[O-]	ZINC000018205677	260111999	/nfs/dbraw/zinc/11/19/99/260111999.db2.gz	JVIGYPHZSCSUTN-GZTJUZNOSA-O	0	2	286.275	0.300	1	30		CCEFLN
N#CC(=N[N-]c1[nH+]c[nH]c1C(N)=O)C(=O)Nc1ccccc1	ZINC000005647044	170123333	/nfs/dbraw/zinc/12/33/33/170123333.db2.gz	CUILYSNMBGFHOC-OCKHKDLRSA-N	0	2	297.278	0.439	1	30		CCEFLN
CCCCNC(=O)C1C(=O)N(CCCC)C(=O)/C1=N\N	ZINC000102970948	185801512	/nfs/dbraw/zinc/80/15/12/185801512.db2.gz	UGFWYJGQYSCEGV-UIOUTNAGSA-N	0	2	282.344	0.003	1	30		CCEFLN
N#Cc1c(N)nc2c(c1N)Cc1ccccc1S2(=O)=O	ZINC000028124611	171548744	/nfs/dbraw/zinc/54/87/44/171548744.db2.gz	WBZHPHDVFVKTCK-UHFFFAOYSA-N	0	2	286.316	0.855	1	30		CCEFLN