smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncccc2NC(=O)CCl)CC1	ZINC001165021247	721843497	/nfs/dbraw/zinc/84/34/97/721843497.db2.gz	JGKOCEHNAVPBAX-UHFFFAOYSA-N	1	0	432.952	3.377	20	50		IGGDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164711721	720138899	/nfs/dbraw/zinc/13/88/99/720138899.db2.gz	IJXKETBNLVRPSO-LJQANCHMSA-N	1	0	443.979	3.161	20	50		IGGDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164712263	720151365	/nfs/dbraw/zinc/15/13/65/720151365.db2.gz	MAMBHQBVCYKMPO-HXUWFJFHSA-N	1	0	443.979	3.161	20	50		IGGDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164712262	720151978	/nfs/dbraw/zinc/15/19/78/720151978.db2.gz	MAMBHQBVCYKMPO-FQEVSTJZSA-N	1	0	443.979	3.161	20	50		IGGDRO
O=C(CCl)Nc1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164905695	721722246	/nfs/dbraw/zinc/72/22/46/721722246.db2.gz	IKFLRRRSDDPVDC-FQEVSTJZSA-N	1	0	435.906	3.392	20	50		IGGDRO
O=C(CCl)Nc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1	ZINC001164912848	721732788	/nfs/dbraw/zinc/73/27/88/721732788.db2.gz	QOJUHOAMARMYJT-FQEVSTJZSA-N	1	0	435.906	3.392	20	50		IGGDRO
CCCOc1c(Br)cc(Br)cc1C=NNC(=O)C[N+](C)(C)C	ZINC000916270967	717194185	/nfs/dbraw/zinc/19/41/85/717194185.db2.gz	XDANBUKAUQONCJ-UHFFFAOYSA-O	1	0	436.168	3.157	20	50		IGGDRO
O=C(CCl)Nc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1	ZINC001164912850	721733168	/nfs/dbraw/zinc/73/31/68/721733168.db2.gz	QOJUHOAMARMYJT-HXUWFJFHSA-N	1	0	435.906	3.392	20	50		IGGDRO
O=C(CCl)Nc1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164905697	721721391	/nfs/dbraw/zinc/72/13/91/721721391.db2.gz	IKFLRRRSDDPVDC-HXUWFJFHSA-N	1	0	435.906	3.392	20	50		IGGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1	ZINC000916270575	717193160	/nfs/dbraw/zinc/19/31/60/717193160.db2.gz	IYEMYGLDPKPQTL-UHFFFAOYSA-O	1	0	441.353	3.458	20	50		IGGDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(NC(=O)CCl)cn2)CC1	ZINC001165029793	721844876	/nfs/dbraw/zinc/84/48/76/721844876.db2.gz	DJIRRYABIDJUSK-UHFFFAOYSA-N	1	0	432.952	3.377	20	50		IGGDRO
COc1cc(C=NNC(=O)C[N+](C)(C)C)cc(Br)c1OCc1ccccc1	ZINC000916270876	717194290	/nfs/dbraw/zinc/19/42/90/717194290.db2.gz	RVFHIBKNAHKZGH-UHFFFAOYSA-O	1	0	435.342	3.193	20	50		IGGDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(NC(=O)CCl)cn4)CC3)C2)cc1	ZINC001164938988	721932776	/nfs/dbraw/zinc/93/27/76/721932776.db2.gz	FZSYTRRRTFUPKE-UHFFFAOYSA-N	1	0	428.964	3.439	20	50		IGGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	ZINC000916270650	717193233	/nfs/dbraw/zinc/19/32/33/717193233.db2.gz	MRTDCVNIXAONNH-UHFFFAOYSA-O	1	0	441.353	3.458	20	50		IGGDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164711720	720139523	/nfs/dbraw/zinc/13/95/23/720139523.db2.gz	IJXKETBNLVRPSO-IBGZPJMESA-N	1	0	443.979	3.161	20	50		IGGDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncccc4NC(=O)CCl)CC3)C2)cc1	ZINC001164938691	721930659	/nfs/dbraw/zinc/93/06/59/721930659.db2.gz	DRQRSJFMUTYACJ-UHFFFAOYSA-N	1	0	428.964	3.439	20	50		IGGDRO