smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@@H]1CCCO1)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1	ZINC000035513939	526520128	/nfs/dbraw/zinc/52/01/28/526520128.db2.gz	BYYVIVRDQGBPEI-KRWDZBQOSA-N	-1	3	463.535	1.340	10	0		JDAEHM
CNC(=O)CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1	ZINC000015864319	556039388	/nfs/dbraw/zinc/03/93/88/556039388.db2.gz	SKJGQAFMQHGIJY-UHFFFAOYSA-N	-1	3	473.599	1.332	10	0		JDAEHM
CCCc1nn(C)c2c1nc(-c1cc([S@](=O)(=S)N3CCN(C)CC3)ccc1OCC)[n-]c2=O	ZINC000100074023	569752410	/nfs/dbraw/zinc/75/24/10/569752410.db2.gz	QGBWGKSWMAWBJY-XIFFEERXSA-N	-1	3	490.655	1.942	10	0		JDAEHM
CC(=O)N[C@@H]1[C@@H]([N-]S(C)(=O)=O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1	ZINC000032106870	556418271	/nfs/dbraw/zinc/41/82/71/556418271.db2.gz	JDVVWUSBKUALGP-RCQJKQRMSA-N	-1	3	476.551	1.465	10	0		JDAEHM
COCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1	ZINC000021704784	523364657	/nfs/dbraw/zinc/36/46/57/523364657.db2.gz	ICJDSUQZQDTNBW-UHFFFAOYSA-N	-1	3	451.524	1.197	10	0		JDAEHM
COc1cccc(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)NCc3ccccn3)c2)c1	ZINC000065305130	569671622	/nfs/dbraw/zinc/67/16/22/569671622.db2.gz	JBPJTDUFXCRLJT-UHFFFAOYSA-N	-1	3	482.566	1.626	10	0		JDAEHM
O=C(NCCCN1CCCC1=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCNCC1	ZINC000033121088	527662918	/nfs/dbraw/zinc/66/29/18/527662918.db2.gz	HIIRIODMXIHULT-UHFFFAOYSA-N	-1	3	491.639	1.701	10	0		JDAEHM
CC(=O)N[C@@H]1[C@@H]([N-]S(C)(=O)=O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1	ZINC000032106872	556418250	/nfs/dbraw/zinc/41/82/50/556418250.db2.gz	JDVVWUSBKUALGP-GNWGRXFHSA-N	-1	3	476.551	1.465	10	0		JDAEHM
CCCc1nn(C)c2c1nc(-c1cc([S@@](=O)(=S)N3CCN(C)CC3)ccc1OCC)[n-]c2=O	ZINC000088466513	569718044	/nfs/dbraw/zinc/71/80/44/569718044.db2.gz	QGBWGKSWMAWBJY-MGBGTMOVSA-N	-1	3	490.655	1.942	10	0		JDAEHM
CO[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cc(F)c(=O)[n-]c1=O	ZINC000043771775	523788090	/nfs/dbraw/zinc/78/80/90/523788090.db2.gz	OLOLDETYCPQDLO-ANTGDGSKSA-N	-1	3	484.436	1.671	10	0		JDAEHM
O=C(NC[C@H]1CCCO1)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1	ZINC000035513942	526600691	/nfs/dbraw/zinc/60/06/91/526600691.db2.gz	BYYVIVRDQGBPEI-QGZVFWFLSA-N	-1	3	463.535	1.340	10	0		JDAEHM
O=C(NCc1ccccc1)c1cnc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1[O-]	ZINC000006296541	569588738	/nfs/dbraw/zinc/58/87/38/569588738.db2.gz	NCKKSDGYKANBFZ-UHFFFAOYSA-N	-1	3	483.546	1.986	10	0		JDAEHM
Cc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000008598124	562944974	/nfs/dbraw/zinc/94/49/74/562944974.db2.gz	AKHBIKWKGSWEFW-UHFFFAOYSA-N	-1	3	470.551	1.809	10	0		JDAEHM
CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)s2)cnc1N1CCNCC1	ZINC000065025205	569650212	/nfs/dbraw/zinc/65/02/12/569650212.db2.gz	PGMBNJITOVAURK-UHFFFAOYSA-N	-1	3	474.406	1.818	10	0		JDAEHM