smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164711721	720138902	/nfs/dbraw/zinc/13/89/02/720138902.db2.gz	IJXKETBNLVRPSO-LJQANCHMSA-N	1	1	443.979	3.161	20	50		IGGDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164712263	720151368	/nfs/dbraw/zinc/15/13/68/720151368.db2.gz	MAMBHQBVCYKMPO-HXUWFJFHSA-N	1	1	443.979	3.161	20	50		IGGDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164712262	720151983	/nfs/dbraw/zinc/15/19/83/720151983.db2.gz	MAMBHQBVCYKMPO-FQEVSTJZSA-N	1	1	443.979	3.161	20	50		IGGDMO
O=C(CCl)Nc1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164905695	721722253	/nfs/dbraw/zinc/72/22/53/721722253.db2.gz	IKFLRRRSDDPVDC-FQEVSTJZSA-N	1	1	435.906	3.392	20	50		IGGDMO
O=C(CCl)Nc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1	ZINC001164912848	721732790	/nfs/dbraw/zinc/73/27/90/721732790.db2.gz	QOJUHOAMARMYJT-FQEVSTJZSA-N	1	1	435.906	3.392	20	50		IGGDMO
O=C(CCl)Nc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1	ZINC001164912850	721733169	/nfs/dbraw/zinc/73/31/69/721733169.db2.gz	QOJUHOAMARMYJT-HXUWFJFHSA-N	1	1	435.906	3.392	20	50		IGGDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164909465	721760032	/nfs/dbraw/zinc/76/00/32/721760032.db2.gz	AKJGEFKGQYMJFY-UHFFFAOYSA-N	1	1	425.920	3.442	20	50		IGGDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164909465	721760034	/nfs/dbraw/zinc/76/00/34/721760034.db2.gz	AKJGEFKGQYMJFY-UHFFFAOYSA-N	1	1	425.920	3.442	20	50		IGGDMO
O=C(CCl)Nc1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164905697	721721394	/nfs/dbraw/zinc/72/13/94/721721394.db2.gz	IKFLRRRSDDPVDC-HXUWFJFHSA-N	1	1	435.906	3.392	20	50		IGGDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(NC(=O)CCl)cn4)CC3)C2)cc1	ZINC001164938988	721932777	/nfs/dbraw/zinc/93/27/77/721932777.db2.gz	FZSYTRRRTFUPKE-UHFFFAOYSA-N	1	1	428.964	3.439	20	50		IGGDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164912531	721763430	/nfs/dbraw/zinc/76/34/30/721763430.db2.gz	YXGGFWWVNYBKQR-UHFFFAOYSA-N	1	1	425.920	3.442	20	50		IGGDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164912531	721763434	/nfs/dbraw/zinc/76/34/34/721763434.db2.gz	YXGGFWWVNYBKQR-UHFFFAOYSA-N	1	1	425.920	3.442	20	50		IGGDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164711720	720139531	/nfs/dbraw/zinc/13/95/31/720139531.db2.gz	IJXKETBNLVRPSO-IBGZPJMESA-N	1	1	443.979	3.161	20	50		IGGDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4NC(=O)CCl)CC3)C2)cc1	ZINC001164938691	721930661	/nfs/dbraw/zinc/93/06/61/721930661.db2.gz	DRQRSJFMUTYACJ-UHFFFAOYSA-N	1	1	428.964	3.439	20	50		IGGDMO