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	720360311	/nfs/dbraw/zinc/36/03/11/720360311.db2.gz	IFOWGIUKNJCXIP-RTBURBONSA-N	1	0	477.396	3.112	20	50		JGGDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811804	720093728	/nfs/dbraw/zinc/09/37/28/720093728.db2.gz	PQTFYWQVVUJLAJ-UZUQRXQVSA-N	1	0	498.455	3.048	20	50		JGGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164749187	720906642	/nfs/dbraw/zinc/90/66/42/720906642.db2.gz	IGEWLAWTRFEVIA-BWKNWUBXSA-N	1	0	470.017	3.409	20	50		JGGDRO
O=C(CCl)Nc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164749188	720907487	/nfs/dbraw/zinc/90/74/87/720907487.db2.gz	IGEWLAWTRFEVIA-OFVILXPXSA-N	1	0	470.017	3.409	20	50		JGGDRO
O=C(CCl)Nc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164749190	720908364	/nfs/dbraw/zinc/90/83/64/720908364.db2.gz	IGEWLAWTRFEVIA-SQJMNOBHSA-N	1	0	470.017	3.409	20	50		JGGDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)[C@@H]2C	ZINC001164860756	720943607	/nfs/dbraw/zinc/94/36/07/720943607.db2.gz	RPQMHIVTTDONKC-OAHLLOKOSA-N	1	0	496.443	3.481	20	50		JGGDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811795	720093513	/nfs/dbraw/zinc/09/35/13/720093513.db2.gz	PQTFYWQVVUJLAJ-HXOBKFHXSA-N	1	0	498.455	3.048	20	50		JGGDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811798	720093639	/nfs/dbraw/zinc/09/36/39/720093639.db2.gz	PQTFYWQVVUJLAJ-SBUREZEXSA-N	1	0	498.455	3.048	20	50		JGGDRO
O=C(CCl)Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1	ZINC001164746473	720926862	/nfs/dbraw/zinc/92/68/62/720926862.db2.gz	ANYLSKNLXQLKAE-OFVILXPXSA-N	1	0	470.017	3.409	20	50		JGGDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(NC(=O)CCl)cn3)CC2)c2ccccc21	ZINC001164686451	719680742	/nfs/dbraw/zinc/68/07/42/719680742.db2.gz	MTYBGQVAKUWWKF-LJQANCHMSA-N	1	0	484.044	3.352	20	50		JGGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2C1	ZINC001164723620	720360841	/nfs/dbraw/zinc/36/08/41/720360841.db2.gz	IFOWGIUKNJCXIP-RBUKOAKNSA-N	1	0	477.396	3.112	20	50		JGGDRO
O=C(CCl)Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1	ZINC001164746475	720927650	/nfs/dbraw/zinc/92/76/50/720927650.db2.gz	ANYLSKNLXQLKAE-SQJMNOBHSA-N	1	0	470.017	3.409	20	50		JGGDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)[C@H]2C	ZINC001164860754	720944167	/nfs/dbraw/zinc/94/41/67/720944167.db2.gz	RPQMHIVTTDONKC-HNNXBMFYSA-N	1	0	496.443	3.481	20	50		JGGDRO
O=C(CCl)Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1	ZINC001164746472	720927368	/nfs/dbraw/zinc/92/73/68/720927368.db2.gz	ANYLSKNLXQLKAE-BWKNWUBXSA-N	1	0	470.017	3.409	20	50		JGGDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(NC(=O)CCl)cn3)CC2)c2ccccc21	ZINC001164686448	719680825	/nfs/dbraw/zinc/68/08/25/719680825.db2.gz	MTYBGQVAKUWWKF-IBGZPJMESA-N	1	0	484.044	3.352	20	50		JGGDRO
O=C(CCl)Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1	ZINC001164746474	720926564	/nfs/dbraw/zinc/92/65/64/720926564.db2.gz	ANYLSKNLXQLKAE-PXDATVDWSA-N	1	0	470.017	3.409	20	50		JGGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2C1	ZINC001164723614	720361558	/nfs/dbraw/zinc/36/15/58/720361558.db2.gz	IFOWGIUKNJCXIP-MOPGFXCFSA-N	1	0	477.396	3.112	20	50		JGGDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3NC(=O)CCl)CC2)c2ccccc21	ZINC001164686020	719676298	/nfs/dbraw/zinc/67/62/98/719676298.db2.gz	WKIZWRQIOGTQGO-IBGZPJMESA-N	1	0	484.044	3.352	20	50		JGGDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3NC(=O)CCl)CC2)c2ccccc21	ZINC001164686028	719676577	/nfs/dbraw/zinc/67/65/77/719676577.db2.gz	WKIZWRQIOGTQGO-LJQANCHMSA-N	1	0	484.044	3.352	20	50		JGGDRO
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2C1	ZINC001164723617	720361257	/nfs/dbraw/zinc/36/12/57/720361257.db2.gz	IFOWGIUKNJCXIP-OALUTQOASA-N	1	0	477.396	3.112	20	50		JGGDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001164811772	720093958	/nfs/dbraw/zinc/09/39/58/720093958.db2.gz	PQTFYWQVVUJLAJ-GAJHUEQPSA-N	1	0	498.455	3.048	20	50		JGGDRO
O=C(CCl)Nc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164749189	720906904	/nfs/dbraw/zinc/90/69/04/720906904.db2.gz	IGEWLAWTRFEVIA-PXDATVDWSA-N	1	0	470.017	3.409	20	50		JGGDRO