smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](CSC)[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000217328212	384493395	/nfs/dbraw/zinc/49/33/95/384493395.db2.gz	BXSJFQMMEXCXSY-GHMZBOCLSA-N	2	0	216.394	1.860	10	70		BDIERP
c1cn(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cn1	ZINC000159758666	398342358	/nfs/dbraw/zinc/34/23/58/398342358.db2.gz	VZJIRAXQBIIDAD-STQMWFEESA-N	2	0	235.331	1.527	10	70		BDIERP
CCC[C@@H](C(=O)NCC[NH+](CC)CC)[NH+](C)C	ZINC000159588858	323039623	/nfs/dbraw/zinc/03/96/23/323039623.db2.gz	HROZYKZSMVZYOL-LBPRGKRZSA-N	2	0	243.395	1.175	10	70		BDIERP
CCOCCC[NH2+][C@H]1CCC[NH2+]CC1	ZINC000160658376	361323574	/nfs/dbraw/zinc/32/35/74/361323574.db2.gz	BCVGTSCKRNRHNV-NSHDSACASA-N	2	0	200.326	1.145	10	70		BDIERP
CC[C@H](CSC)[NH2+][C@H]1CCC[NH2+]CC1	ZINC000217328216	384491810	/nfs/dbraw/zinc/49/18/10/384491810.db2.gz	BXSJFQMMEXCXSY-MNOVXSKESA-N	2	0	216.394	1.860	10	70		BDIERP
CCC[C@H](C(=O)NCC[NH+](CC)CC)[NH+](C)C	ZINC000159589002	323039553	/nfs/dbraw/zinc/03/95/53/323039553.db2.gz	HROZYKZSMVZYOL-GFCCVEGCSA-N	2	0	243.395	1.175	10	70		BDIERP
CSCCC[NH2+][C@H]1CCC[NH2+]CC1	ZINC000160681643	361324138	/nfs/dbraw/zinc/32/41/38/361324138.db2.gz	UNJOAEMFCMJDPE-JTQLQIEISA-N	2	0	202.367	1.471	10	70		BDIERP
CCOCCC[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000160658247	361323704	/nfs/dbraw/zinc/32/37/04/361323704.db2.gz	BCVGTSCKRNRHNV-LLVKDONJSA-N	2	0	200.326	1.145	10	70		BDIERP
CCC[NH2+]CC[NH2+]CC1CCOCC1	ZINC000161345894	169259575	/nfs/dbraw/zinc/25/95/75/169259575.db2.gz	NGTWJIDIDXDOQB-UHFFFAOYSA-N	2	0	200.326	1.002	10	70		BDIERP
CC[C@H](CSC)[NH2+]C1CC[NH2+]CC1	ZINC000217327692	384479074	/nfs/dbraw/zinc/47/90/74/384479074.db2.gz	NEAVHZAMDGBDNC-SECBINFHSA-N	2	0	202.367	1.470	10	70		BDIERP
CC[C@@H](CSC)[NH2+][C@H]1CCC[NH2+]CC1	ZINC000217328214	384493275	/nfs/dbraw/zinc/49/32/75/384493275.db2.gz	BXSJFQMMEXCXSY-QWRGUYRKSA-N	2	0	216.394	1.860	10	70		BDIERP
CC[C@H](CSC)[NH2+]C1CCC([NH3+])CC1	ZINC000217328682	384498363	/nfs/dbraw/zinc/49/83/63/384498363.db2.gz	MZGFENSLJRKERU-HSOILSAZSA-N	2	0	216.394	1.988	10	70		BDIERP
CSCCC[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000160681529	361323750	/nfs/dbraw/zinc/32/37/50/361323750.db2.gz	UNJOAEMFCMJDPE-SNVBAGLBSA-N	2	0	202.367	1.471	10	70		BDIERP
CC[C@@H](CSC)[NH2+]C1CC[NH2+]CC1	ZINC000217327690	384479200	/nfs/dbraw/zinc/47/92/00/384479200.db2.gz	NEAVHZAMDGBDNC-VIFPVBQESA-N	2	0	202.367	1.470	10	70		BDIERP
COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1	ZINC000218743481	134260020	/nfs/dbraw/zinc/26/00/20/134260020.db2.gz	LFSSVJXYQWAOKX-QJPTWQEYSA-N	2	0	214.353	1.484	10	70		BDIERP
COCC[C@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1	ZINC000218743586	134260101	/nfs/dbraw/zinc/26/01/01/134260101.db2.gz	LFSSVJXYQWAOKX-SDDRHHMPSA-N	2	0	214.353	1.484	10	70		BDIERP
CC[C@@H](CSC)[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000217328211	384493327	/nfs/dbraw/zinc/49/33/27/384493327.db2.gz	BXSJFQMMEXCXSY-WDEREUQCSA-N	2	0	216.394	1.860	10	70		BDIERP
c1cn(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cn1	ZINC000159758801	398342418	/nfs/dbraw/zinc/34/24/18/398342418.db2.gz	VZJIRAXQBIIDAD-QWHCGFSZSA-N	2	0	235.331	1.527	10	70		BDIERP
CC[C@@H](CSC)[NH2+]C1CCC([NH3+])CC1	ZINC000217328681	384498420	/nfs/dbraw/zinc/49/84/20/384498420.db2.gz	MZGFENSLJRKERU-YVNMAJEFSA-N	2	0	216.394	1.988	10	70		BDIERP