smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CN2CCN(C(=S)NCCCN3CCOCC3)CC2)CC1	ZINC000013718673	558580567	/nfs/dbraw/zinc/58/05/67/558580567.db2.gz	VSTBOMCMASVHHP-UHFFFAOYSA-N	1	1	412.604	-1.025	50	0		HAAAMO
NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(N)=O	ZINC000015721908	558749947	/nfs/dbraw/zinc/74/99/47/558749947.db2.gz	SCCTZYGEMPQRCV-AVGNSLFASA-N	1	1	424.506	-2.840	50	0		HAAAMO
Cn1c2ncn(C[C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)c2c(=O)n(C)c1=O	ZINC000019938679	558313233	/nfs/dbraw/zinc/31/32/33/558313233.db2.gz	MPQZUWAFVWPPIR-ZDUSSCGKSA-N	1	1	400.443	-1.593	50	0		HAAAMO
Cn1c2ncn(C[C@H](O)C[NH+]3CCN(c4ncccn4)CC3)c2c(=O)n(C)c1=O	ZINC000019938680	558313204	/nfs/dbraw/zinc/31/32/04/558313204.db2.gz	MPQZUWAFVWPPIR-CYBMUJFWSA-N	1	1	400.443	-1.593	50	0		HAAAMO
CN1CC[NH+](C[C@@H](O)Cn2c3c(nc2N2CCOCC2)n(C)c(=O)n(C)c3=O)CC1	ZINC000020458272	558371263	/nfs/dbraw/zinc/37/12/63/558371263.db2.gz	URYAEERAXKEFMR-CQSZACIVSA-N	1	1	421.502	-2.121	50	0		HAAAMO
CN1CC[NH+](C[C@H](O)Cn2c3c(nc2N2CCOCC2)n(C)c(=O)n(C)c3=O)CC1	ZINC000020458274	558371286	/nfs/dbraw/zinc/37/12/86/558371286.db2.gz	URYAEERAXKEFMR-AWEZNQCLSA-N	1	1	421.502	-2.121	50	0		HAAAMO
CC[NH+]1CCN(C(=O)Cn2cc(S(=O)(=O)NC)c(S(=O)(=O)NC)c2)CC1	ZINC000020565465	521663894	/nfs/dbraw/zinc/66/38/94/521663894.db2.gz	YZUGVVSHNLJLJQ-UHFFFAOYSA-N	1	1	407.518	-1.532	50	0		HAAAMO
COC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3CC[NH+]2CCOCC2)n(C)c1=O	ZINC000022514771	558493769	/nfs/dbraw/zinc/49/37/69/558493769.db2.gz	YRRAZPFYYCZRAQ-UHFFFAOYSA-N	1	1	404.427	-1.037	50	0		HAAAMO
C[NH+]1CCN(C(=O)CN2CCN(C[C@@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)CC1	ZINC000071281851	571290895	/nfs/dbraw/zinc/29/08/95/571290895.db2.gz	MVDJTUGTPFENBC-OAHLLOKOSA-N	1	1	410.519	-1.931	50	0		HAAAMO
C[NH+]1CCN(C(=O)CN2CCN(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)CC1	ZINC000071281853	571290813	/nfs/dbraw/zinc/29/08/13/571290813.db2.gz	MVDJTUGTPFENBC-HNNXBMFYSA-N	1	1	410.519	-1.931	50	0		HAAAMO
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CCO)CC1)Nc1ccccc1	ZINC000096318692	559109892	/nfs/dbraw/zinc/10/98/92/559109892.db2.gz	DAXGIMHIJUDKPC-QGZVFWFLSA-N	1	1	403.483	-1.048	50	0		HAAAMO
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CCO)CC1)Nc1ccccc1	ZINC000096318693	559109929	/nfs/dbraw/zinc/10/99/29/559109929.db2.gz	DAXGIMHIJUDKPC-KRWDZBQOSA-N	1	1	403.483	-1.048	50	0		HAAAMO