smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C1)c(=O)n2Cc1ccccc1	ZINC000514294819	1066230061	/nfs/dbraw/zinc/23/00/61/1066230061.db2.gz	CDEHXMXDGCWNKO-HSZRJFAPSA-N	0	3	516.602	1.445	20	0		KDADHN
COCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCN(Cc3ccccc3)C1)c(=O)n2Cc1ccccc1	ZINC000514294823	1066229692	/nfs/dbraw/zinc/22/96/92/1066229692.db2.gz	CDEHXMXDGCWNKO-QHCPKHFHSA-N	0	3	516.602	1.445	20	0		KDADHN
CN1CCCN(C(=O)CCCCCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	ZINC000514295858	1066233134	/nfs/dbraw/zinc/23/31/34/1066233134.db2.gz	GFAZPNHXWBYUQO-UHFFFAOYSA-N	0	3	500.687	1.474	20	0		KDADHN
Cn1c(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000514303913	1066257900	/nfs/dbraw/zinc/25/79/00/1066257900.db2.gz	QMLZSMYOQZRURZ-NRFANRHFSA-N	0	3	511.648	1.918	20	0		KDADHN
Cn1c(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	ZINC000514303914	1066257938	/nfs/dbraw/zinc/25/79/38/1066257938.db2.gz	QMLZSMYOQZRURZ-OAQYLSRUSA-N	0	3	511.648	1.918	20	0		KDADHN
COCCN(C(=O)CCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000514377068	1066270153	/nfs/dbraw/zinc/27/01/53/1066270153.db2.gz	KRVDAEDTWSKSJW-JOCHJYFZSA-N	0	3	558.680	1.909	20	0		KDADHN
COCCN(C(=O)CCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000514377069	1066270079	/nfs/dbraw/zinc/27/00/79/1066270079.db2.gz	KRVDAEDTWSKSJW-QFIPXVFZSA-N	0	3	558.680	1.909	20	0		KDADHN
CCOC(=O)c1c2c(sc1NC(=O)Cn1c(=O)c3c(ncn3C)n(C)c1=O)C(C)(C)NC(C)(C)C2	ZINC000514377176	1066269608	/nfs/dbraw/zinc/26/96/08/1066269608.db2.gz	ZUQKNNRBDGQVIM-UHFFFAOYSA-N	0	3	502.597	1.470	20	0		KDADHN
COCCN(C(=O)CCC(=O)NC[C@@H](c1ccccc1)N(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000514378552	1066276402	/nfs/dbraw/zinc/27/64/02/1066276402.db2.gz	HHYMIVAJRGKBIG-IBGZPJMESA-N	0	3	502.616	1.366	20	0		KDADHN
COCCN(C(=O)CCC(=O)NC[C@H](c1ccccc1)N(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000514378553	1066276541	/nfs/dbraw/zinc/27/65/41/1066276541.db2.gz	HHYMIVAJRGKBIG-LJQANCHMSA-N	0	3	502.616	1.366	20	0		KDADHN
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1	ZINC000514387793	1066300247	/nfs/dbraw/zinc/30/02/47/1066300247.db2.gz	LQCUODAAPNFNKM-FQEVSTJZSA-N	0	3	526.706	1.750	20	0		KDADHN
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)cc1	ZINC000514387795	1066300790	/nfs/dbraw/zinc/30/07/90/1066300790.db2.gz	LQCUODAAPNFNKM-HXUWFJFHSA-N	0	3	526.706	1.750	20	0		KDADHN
CN1CCN(c2ccc(CNC(=O)c3ccc(C(=O)NCc4ccc(N5CCN(C)CC5)nc4)cc3)cn2)CC1	ZINC000514394254	1066333193	/nfs/dbraw/zinc/33/31/93/1066333193.db2.gz	LALCXCKAZRDBLC-UHFFFAOYSA-N	0	3	542.688	1.840	20	0		KDADHN