smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)C=C1[O-]	ZINC000018207076	556309995	/nfs/dbraw/zinc/30/99/95/556309995.db2.gz	PESWSWSCGFLZLY-WCWDXBQESA-N	-2	1	460.581	5.893	40	10		JKCBML
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408634080	569984949	/nfs/dbraw/zinc/98/49/49/569984949.db2.gz	ORTZIIHFSXVCIG-NDENLUEZSA-N	-2	1	494.960	5.449	40	10		JKCBML
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004003812	194368640	/nfs/dbraw/zinc/36/86/40/194368640.db2.gz	BMLYQZRREWZKLB-LZCXECNNSA-N	-2	1	490.581	5.329	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2)C(=O)C=C1[O-]	ZINC000018158789	556296246	/nfs/dbraw/zinc/29/62/46/556296246.db2.gz	SSFXNYORPDVCLV-WCWDXBQESA-N	-2	1	475.596	5.597	40	10		JKCBML
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000408784178	570042479	/nfs/dbraw/zinc/04/24/79/570042479.db2.gz	UCTFCKNTHBKSIW-UFFVCSGVSA-N	-2	1	476.960	5.180	40	10		JKCBML
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000058849137	195384193	/nfs/dbraw/zinc/38/41/93/195384193.db2.gz	REMZFKOHWSUEDM-LZCXECNNSA-N	-2	1	490.581	5.411	40	10		JKCBML
Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786856	556262855	/nfs/dbraw/zinc/26/28/55/556262855.db2.gz	LBCXMCNHXLSMBM-UHFFFAOYSA-N	-2	1	480.007	5.111	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)C=C1[O-]	ZINC000104090760	569840651	/nfs/dbraw/zinc/84/06/51/569840651.db2.gz	PESWSWSCGFLZLY-VHXPQNKSSA-N	-2	1	460.581	5.893	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2)C(=O)C=C1[O-]	ZINC000104090764	569840656	/nfs/dbraw/zinc/84/06/56/569840656.db2.gz	SSFXNYORPDVCLV-VHXPQNKSSA-N	-2	1	475.596	5.597	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)C(=O)C=C1[O-]	ZINC000104090776	569840824	/nfs/dbraw/zinc/84/08/24/569840824.db2.gz	MZLFIOSNNBVWRF-RQZHXJHFSA-N	-2	1	469.567	5.535	40	10		JKCBML
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058849189	195384181	/nfs/dbraw/zinc/38/41/81/195384181.db2.gz	WSNCPJVQXNUTRE-ANSQWYIGSA-N	-2	1	490.581	5.411	40	10		JKCBML
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058849832	195384651	/nfs/dbraw/zinc/38/46/51/195384651.db2.gz	IKTBOCWFVQSWDO-ANSQWYIGSA-N	-2	1	490.581	5.329	40	10		JKCBML
O=C1c2c([O-])ccc(Nc3ccc(/N=N/c4ccccc4)cc3)c2C(=O)c2c([N+](=O)[O-])ccc([O-])c21	ZINC000004830754	527119638	/nfs/dbraw/zinc/11/96/38/527119638.db2.gz	OUOHWIKRLUYCTJ-ZQHSETAFSA-N	-2	1	480.436	5.940	40	10		JKCBML
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786846	556262932	/nfs/dbraw/zinc/26/29/32/556262932.db2.gz	KZVZJCPSDAJGGR-UHFFFAOYSA-N	-2	1	480.007	5.111	40	10		JKCBML
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000001068803	194015418	/nfs/dbraw/zinc/01/54/18/194015418.db2.gz	NURASWRJEGEDBY-WZOHSFFVSA-N	-2	1	476.554	5.021	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)C(=O)C=C1[O-]	ZINC000018127750	556291949	/nfs/dbraw/zinc/29/19/49/556291949.db2.gz	BQOPZZKSXKNQIW-BYYHNAKLSA-N	-2	1	483.594	5.844	40	10		JKCBML
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408633283	569984417	/nfs/dbraw/zinc/98/44/17/569984417.db2.gz	JQPBZBIQYJJCNB-NDENLUEZSA-N	-2	1	494.960	5.449	40	10		JKCBML
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2	ZINC000058849024	195384346	/nfs/dbraw/zinc/38/43/46/195384346.db2.gz	QGJSJHSBEKSIAQ-ATLLOTDBSA-N	-2	1	476.554	5.021	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)C(=O)C=C1[O-]	ZINC000017783036	556266512	/nfs/dbraw/zinc/26/65/12/556266512.db2.gz	MZLFIOSNNBVWRF-CYYJNZCTSA-N	-2	1	469.567	5.535	40	10		JKCBML
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)C(=O)C=C1[O-]	ZINC000104090770	569840636	/nfs/dbraw/zinc/84/06/36/569840636.db2.gz	BQOPZZKSXKNQIW-DQSJHHFOSA-N	-2	1	483.594	5.844	40	10		JKCBML
COc1cc([N+](=O)[O-])ccc1/N=N\c1c(Nc2ccccc2)ccc2cc(S(=O)(=O)[O-])cc([O-])c21	ZINC000104221687	569843337	/nfs/dbraw/zinc/84/33/37/569843337.db2.gz	ZKKXWYBZRLNAQS-QPLCGJKRSA-N	-2	1	494.485	5.868	40	10		JKCBML