smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CN(N=Cc2cc([O-])c([N+](=O)[O-])o2)C(=O)[N-]1	ZINC000100492888	351780936	/nfs/dbraw/zinc/78/09/36/351780936.db2.gz	FVAPZVJUBYDZAT-XNWCZRBMSA-N	-2	3	254.158	-0.221	10	30	in-vitro	CBEEHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322673	352272857	/nfs/dbraw/zinc/27/28/57/352272857.db2.gz	PJONCBJTAUITBL-XNCJUZBTSA-N	-2	3	290.322	-0.268	10	30		CBEEHL
C#CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000161259407	220218668	/nfs/dbraw/zinc/21/86/68/220218668.db2.gz	CFIPKJLFXIVTBR-ZETCQYMHSA-N	-2	3	257.271	-0.825	10	30		CBEEHL
C=CCOCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000380986045	544574592	/nfs/dbraw/zinc/57/45/92/544574592.db2.gz	FYWOWWCZEUOYKH-UHFFFAOYSA-N	-2	3	275.286	-0.411	10	30		CBEEHL
C#CC[C@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-]	ZINC000161261690	220218499	/nfs/dbraw/zinc/21/84/99/220218499.db2.gz	YQTINIKBBGOMFD-ZETCQYMHSA-N	-2	3	257.271	-0.527	10	30		CBEEHL
C=CCOCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000656724824	420321275	/nfs/dbraw/zinc/32/12/75/420321275.db2.gz	UOPXJUOTJDKORL-UHFFFAOYSA-N	-2	3	289.313	-0.021	10	30		CBEEHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322668	352272468	/nfs/dbraw/zinc/27/24/68/352272468.db2.gz	PJONCBJTAUITBL-YLWLKBPMSA-N	-2	3	290.322	-0.268	10	30		CBEEHL
C#CCOCCOCCOCCP(=O)([O-])[O-]	ZINC000575440698	354935861	/nfs/dbraw/zinc/93/58/61/354935861.db2.gz	OUKZOEDGARPKKQ-UHFFFAOYSA-N	-2	3	252.203	-0.153	10	30		CBEEHL
C#CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000161259522	220217444	/nfs/dbraw/zinc/21/74/44/220217444.db2.gz	CFIPKJLFXIVTBR-SSDOTTSWSA-N	-2	3	257.271	-0.825	10	30		CBEEHL
C#CC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-]	ZINC000161261828	220219012	/nfs/dbraw/zinc/21/90/12/220219012.db2.gz	YQTINIKBBGOMFD-SSDOTTSWSA-N	-2	3	257.271	-0.527	10	30		CBEEHL
O=C([O-])CN(CC(=O)N[O-])Cc1ccc([N+](=O)[O-])cc1	ZINC000090741762	180035468	/nfs/dbraw/zinc/03/54/68/180035468.db2.gz	UWPIDTMYKGDVLF-UHFFFAOYSA-N	-2	3	283.240	-0.013	10	30		CBEEHL
C#CC[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000161254338	220217528	/nfs/dbraw/zinc/21/75/28/220217528.db2.gz	QVGNMLJRNQAEKC-QMMMGPOBSA-N	-2	3	271.298	-0.517	10	30		CBEEHL
C=C(Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000069907422	351632923	/nfs/dbraw/zinc/63/29/23/351632923.db2.gz	ODAFARUTOYNRGQ-UHFFFAOYSA-N	-2	3	275.058	-0.060	10	30		CBEEHL
C=CCCOCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000231791442	352278258	/nfs/dbraw/zinc/27/82/58/352278258.db2.gz	RSQHSHGZFHKOME-UHFFFAOYSA-N	-2	3	289.313	-0.021	10	30		CBEEHL
O=C([O-])CNC(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1	ZINC000005138919	170070015	/nfs/dbraw/zinc/07/00/15/170070015.db2.gz	BJIUVEHHZIJOGS-SNVBAGLBSA-N	-2	3	280.280	-0.058	10	30		CBEEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322665	352272773	/nfs/dbraw/zinc/27/27/73/352272773.db2.gz	PJONCBJTAUITBL-SVGQVSJJSA-N	-2	3	290.322	-0.268	10	30		CBEEHL
O=C([O-])CNC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1	ZINC000005138917	170069889	/nfs/dbraw/zinc/06/98/89/170069889.db2.gz	BJIUVEHHZIJOGS-JTQLQIEISA-N	-2	3	280.280	-0.058	10	30		CBEEHL
C#CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000161254457	220219165	/nfs/dbraw/zinc/21/91/65/220219165.db2.gz	QVGNMLJRNQAEKC-MRVPVSSYSA-N	-2	3	271.298	-0.517	10	30		CBEEHL