smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH+]1CCC(NC/C=C(\C)CCC=C(C)C)CC1	ZINC000032582042	567863557	/nfs/dbraw/zinc/86/35/57/567863557.db2.gz	WWUIFXOEOGMQKZ-RQZCQDPDSA-N	1	3	278.484	4.143	50	0		CIAAHO
Cc1cc(NCCC[NH+]2CCC(C)CC2)c2ccccc2n1	ZINC000089583178	566984885	/nfs/dbraw/zinc/98/48/85/566984885.db2.gz	BBOBRKXSLMGHIT-UHFFFAOYSA-N	1	3	297.446	4.077	50	0		CIAAHO
CC[NH+](CC)[C@H](CNc1cc(C)nc2ccccc21)C(C)C	ZINC000089967827	567033838	/nfs/dbraw/zinc/03/38/38/567033838.db2.gz	YNOOVBLZOXQPJR-LJQANCHMSA-N	1	3	299.462	4.322	50	0		CIAAHO
Cc1cc(NCC2([NH+](C)C)CCCCC2)c2ccccc2n1	ZINC000089583145	566984356	/nfs/dbraw/zinc/98/43/56/566984356.db2.gz	CSCQYRUFVQAPAF-UHFFFAOYSA-N	1	3	297.446	4.220	50	0		CIAAHO
C1CN(C2CCCCCC2)CCC1[NH+]1CCCCCC1	ZINC000000236202	567822880	/nfs/dbraw/zinc/82/28/80/567822880.db2.gz	NAEASYFSLWQXPP-UHFFFAOYSA-N	1	3	278.484	4.050	50	0		CIAAHO
C1C[NH+](C2CCCCCC2)CCC1N1CCCCCC1	ZINC000000236202	567822882	/nfs/dbraw/zinc/82/28/82/567822882.db2.gz	NAEASYFSLWQXPP-UHFFFAOYSA-N	1	3	278.484	4.050	50	0		CIAAHO
CCC[NH+]1CCC(N(C)Cc2cccc3ccccc32)CC1	ZINC000035335364	172131737	/nfs/dbraw/zinc/13/17/37/172131737.db2.gz	PMBVPHIJMRKFEM-UHFFFAOYSA-N	1	3	296.458	4.146	50	0		CIAAHO
Cc1cc(NCC(C)(C)[NH+]2CCCCC2)c2ccccc2n1	ZINC000089583094	566985274	/nfs/dbraw/zinc/98/52/74/566985274.db2.gz	HFNLPBAVYHJPBL-UHFFFAOYSA-N	1	3	297.446	4.220	50	0		CIAAHO
CC[NH+](CC)[C@@H](CNc1cc(C)nc2ccccc21)C(C)C	ZINC000089967825	567032137	/nfs/dbraw/zinc/03/21/37/567032137.db2.gz	YNOOVBLZOXQPJR-IBGZPJMESA-N	1	3	299.462	4.322	50	0		CIAAHO