smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)N(C)C[C@H]2C)c1	ZINC001164634825	719235679	/nfs/dbraw/zinc/23/56/79/719235679.db2.gz	HJXYPXCAXCAECA-DLBZAZTESA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)N(C)C[C@@H]1C	ZINC001164632041	719236909	/nfs/dbraw/zinc/23/69/09/719236909.db2.gz	HTDGSCLKTADEDH-SJORKVTESA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)N(C)C[C@@H]2C)cc1	ZINC001164631274	719178108	/nfs/dbraw/zinc/17/81/08/719178108.db2.gz	BDQGAXJRGNBIJV-SJORKVTESA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)N(C)C[C@H]1C	ZINC001164633196	719237591	/nfs/dbraw/zinc/23/75/91/719237591.db2.gz	KFVQPPBPVPQNSF-HZPDHXFCSA-N	-1	1	443.548	3.407	20	0		IGADMM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)N(C)C[C@@H]1C	ZINC001164632040	719236521	/nfs/dbraw/zinc/23/65/21/719236521.db2.gz	HTDGSCLKTADEDH-IRXDYDNUSA-N	-1	1	425.558	3.268	20	0		IGADMM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1	ZINC000008834388	569477898	/nfs/dbraw/zinc/47/78/98/569477898.db2.gz	CQABVNIFDUZGRA-UHFFFAOYSA-N	-1	1	431.251	3.269	20	0		IGADMM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)N(C)C[C@H]1C	ZINC001164632039	719236325	/nfs/dbraw/zinc/23/63/25/719236325.db2.gz	HTDGSCLKTADEDH-IAGOWNOFSA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)N(C)C[C@@H]2C)cc1	ZINC001164631267	719178035	/nfs/dbraw/zinc/17/80/35/719178035.db2.gz	BDQGAXJRGNBIJV-IRXDYDNUSA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)N(C)C[C@@H]1C	ZINC001164633195	719237297	/nfs/dbraw/zinc/23/72/97/719237297.db2.gz	KFVQPPBPVPQNSF-HOTGVXAUSA-N	-1	1	443.548	3.407	20	0		IGADMM
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)N(C)C[C@@H]2C)c1	ZINC001164634828	719236878	/nfs/dbraw/zinc/23/68/78/719236878.db2.gz	HJXYPXCAXCAECA-SJORKVTESA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)N(C)C[C@H]1C	ZINC001164632038	719236658	/nfs/dbraw/zinc/23/66/58/719236658.db2.gz	HTDGSCLKTADEDH-DLBZAZTESA-N	-1	1	425.558	3.268	20	0		IGADMM
C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN1C	ZINC001164637489	719235288	/nfs/dbraw/zinc/23/52/88/719235288.db2.gz	LSJYVTPNIZXXEF-CABCVRRESA-N	-1	1	429.521	3.099	20	0		IGADMM
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)N(C)C[C@@H]2C)c1	ZINC001164634827	719236371	/nfs/dbraw/zinc/23/63/71/719236371.db2.gz	HJXYPXCAXCAECA-IRXDYDNUSA-N	-1	1	425.558	3.268	20	0		IGADMM
C[C@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)[C@@H](C)CN1C	ZINC001164637494	719235585	/nfs/dbraw/zinc/23/55/85/719235585.db2.gz	LSJYVTPNIZXXEF-GJZGRUSLSA-N	-1	1	429.521	3.099	20	0		IGADMM
Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)n1	ZINC000014683665	563014735	/nfs/dbraw/zinc/01/47/35/563014735.db2.gz	BXWLPNFZYFZMDU-QGZVFWFLSA-N	-1	1	437.525	3.065	20	0		IGADMM
C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC001164637509	719235363	/nfs/dbraw/zinc/23/53/63/719235363.db2.gz	LSJYVTPNIZXXEF-LSDHHAIUSA-N	-1	1	429.521	3.099	20	0		IGADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)N(C)C[C@@H]1C	ZINC001164633193	719237706	/nfs/dbraw/zinc/23/77/06/719237706.db2.gz	KFVQPPBPVPQNSF-CVEARBPZSA-N	-1	1	443.548	3.407	20	0		IGADMM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)N(C)C[C@H]2C)cc1	ZINC001164631261	719177513	/nfs/dbraw/zinc/17/75/13/719177513.db2.gz	BDQGAXJRGNBIJV-IAGOWNOFSA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)n1	ZINC000014683663	563014713	/nfs/dbraw/zinc/01/47/13/563014713.db2.gz	BXWLPNFZYFZMDU-KRWDZBQOSA-N	-1	1	437.525	3.065	20	0		IGADMM
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)N(C)C[C@H]2C)c1	ZINC001164634826	719235801	/nfs/dbraw/zinc/23/58/01/719235801.db2.gz	HJXYPXCAXCAECA-IAGOWNOFSA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)N(C)C[C@H]2C)cc1	ZINC001164631243	719177916	/nfs/dbraw/zinc/17/79/16/719177916.db2.gz	BDQGAXJRGNBIJV-DLBZAZTESA-N	-1	1	425.558	3.268	20	0		IGADMM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)N(C)C[C@H]1C	ZINC001164633199	719237696	/nfs/dbraw/zinc/23/76/96/719237696.db2.gz	KFVQPPBPVPQNSF-JKSUJKDBSA-N	-1	1	443.548	3.407	20	0		IGADMM
C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN1C	ZINC001164637501	719235877	/nfs/dbraw/zinc/23/58/77/719235877.db2.gz	LSJYVTPNIZXXEF-HUUCEWRRSA-N	-1	1	429.521	3.099	20	0		IGADMM