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(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2C1	ZINC001164723624	720360319	/nfs/dbraw/zinc/36/03/19/720360319.db2.gz	IFOWGIUKNJCXIP-RTBURBONSA-N	1	1	477.396	3.112	20	50		JGGDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811804	720093735	/nfs/dbraw/zinc/09/37/35/720093735.db2.gz	PQTFYWQVVUJLAJ-UZUQRXQVSA-N	1	1	498.455	3.048	20	50		JGGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164749187	720906653	/nfs/dbraw/zinc/90/66/53/720906653.db2.gz	IGEWLAWTRFEVIA-BWKNWUBXSA-N	1	1	470.017	3.409	20	50		JGGDMO
O=C(CCl)Nc1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164749188	720907492	/nfs/dbraw/zinc/90/74/92/720907492.db2.gz	IGEWLAWTRFEVIA-OFVILXPXSA-N	1	1	470.017	3.409	20	50		JGGDMO
O=C(CCl)Nc1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164749190	720908370	/nfs/dbraw/zinc/90/83/70/720908370.db2.gz	IGEWLAWTRFEVIA-SQJMNOBHSA-N	1	1	470.017	3.409	20	50		JGGDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)[C@@H]2C	ZINC001164860756	720943611	/nfs/dbraw/zinc/94/36/11/720943611.db2.gz	RPQMHIVTTDONKC-OAHLLOKOSA-N	1	1	496.443	3.481	20	50		JGGDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811795	720093518	/nfs/dbraw/zinc/09/35/18/720093518.db2.gz	PQTFYWQVVUJLAJ-HXOBKFHXSA-N	1	1	498.455	3.048	20	50		JGGDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811798	720093647	/nfs/dbraw/zinc/09/36/47/720093647.db2.gz	PQTFYWQVVUJLAJ-SBUREZEXSA-N	1	1	498.455	3.048	20	50		JGGDMO
O=C(CCl)Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1	ZINC001164746473	720926868	/nfs/dbraw/zinc/92/68/68/720926868.db2.gz	ANYLSKNLXQLKAE-OFVILXPXSA-N	1	1	470.017	3.409	20	50		JGGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2C1	ZINC001164723620	720360847	/nfs/dbraw/zinc/36/08/47/720360847.db2.gz	IFOWGIUKNJCXIP-RBUKOAKNSA-N	1	1	477.396	3.112	20	50		JGGDMO
O=C(CCl)Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1	ZINC001164746475	720927652	/nfs/dbraw/zinc/92/76/52/720927652.db2.gz	ANYLSKNLXQLKAE-SQJMNOBHSA-N	1	1	470.017	3.409	20	50		JGGDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)[C@H]2C	ZINC001164860754	720944172	/nfs/dbraw/zinc/94/41/72/720944172.db2.gz	RPQMHIVTTDONKC-HNNXBMFYSA-N	1	1	496.443	3.481	20	50		JGGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)c2C1	ZINC001165044267	721954516	/nfs/dbraw/zinc/95/45/16/721954516.db2.gz	KTCQRBXWLRXZGY-UHFFFAOYSA-N	1	1	480.396	3.065	20	50		JGGDMO
O=C(CCl)Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1	ZINC001164746472	720927386	/nfs/dbraw/zinc/92/73/86/720927386.db2.gz	ANYLSKNLXQLKAE-BWKNWUBXSA-N	1	1	470.017	3.409	20	50		JGGDMO
O=C(CCl)Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1	ZINC001164746474	720926573	/nfs/dbraw/zinc/92/65/73/720926573.db2.gz	ANYLSKNLXQLKAE-PXDATVDWSA-N	1	1	470.017	3.409	20	50		JGGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2C1	ZINC001164723614	720361565	/nfs/dbraw/zinc/36/15/65/720361565.db2.gz	IFOWGIUKNJCXIP-MOPGFXCFSA-N	1	1	477.396	3.112	20	50		JGGDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)CC2	ZINC001164649138	719309246	/nfs/dbraw/zinc/30/92/46/719309246.db2.gz	UOIRAAAEISLOHK-UHFFFAOYSA-N	1	1	496.443	3.265	20	50		JGGDMO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2C1	ZINC001164723617	720361262	/nfs/dbraw/zinc/36/12/62/720361262.db2.gz	IFOWGIUKNJCXIP-OALUTQOASA-N	1	1	477.396	3.112	20	50		JGGDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811772	720093964	/nfs/dbraw/zinc/09/39/64/720093964.db2.gz	PQTFYWQVVUJLAJ-GAJHUEQPSA-N	1	1	498.455	3.048	20	50		JGGDMO
O=C(CCl)Nc1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164749189	720906907	/nfs/dbraw/zinc/90/69/07/720906907.db2.gz	IGEWLAWTRFEVIA-PXDATVDWSA-N	1	1	470.017	3.409	20	50		JGGDMO