smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCC(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(OC)c2)CC[N@H+](CC)C4)CC1	ZINC000514386691	1066421469	/nfs/dbraw/zinc/42/14/69/1066421469.db2.gz	YOAQPJJMZWMWBB-UHFFFAOYSA-N	2	1	541.743	3.526	20	0		KHADMP
CC[NH+]1CCC(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(OC)c2)CC[N@@H+](CC)C4)CC1	ZINC000514386691	1066421462	/nfs/dbraw/zinc/42/14/62/1066421462.db2.gz	YOAQPJJMZWMWBB-UHFFFAOYSA-N	2	1	541.743	3.526	20	0		KHADMP
Cc1cn(-c2ccc(-n3ccc4c3nc[nH+]c4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)nn2)cn1	ZINC001159554302	1066861506	/nfs/dbraw/zinc/86/15/06/1066861506.db2.gz	GYBOBUDXOROQCT-UHFFFAOYSA-N	2	1	500.010	3.898	20	0		KHADMP
Cn1c(=O)ccc2ccc(-n3ccc4c3nc[nH+]c4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)nc21	ZINC001159554370	1066861584	/nfs/dbraw/zinc/86/15/84/1066861584.db2.gz	IQVRGHWMOXMLHB-UHFFFAOYSA-N	2	1	500.006	3.861	20	0		KHADMP
Cc1nc(-n2ccnc2)cc(-n2ccc3c2nc[nH+]c3N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)n1	ZINC001170637130	1066513841	/nfs/dbraw/zinc/51/38/41/1066513841.db2.gz	BUGKFAAHBAAJRZ-UHFFFAOYSA-N	2	1	500.010	3.898	20	0		KHADMP
Cc1cn(-c2cc(-n3ccc4c3nc[nH+]c4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)ncn2)cn1	ZINC001170637913	1066513589	/nfs/dbraw/zinc/51/35/89/1066513589.db2.gz	NQWJZIYDZOIYJN-UHFFFAOYSA-N	2	1	500.010	3.898	20	0		KHADMP
Cn1c(=O)cnc2ccc(-n3ccc4c3nc[nH+]c4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)cc21	ZINC001170637984	1066513817	/nfs/dbraw/zinc/51/38/17/1066513817.db2.gz	ORPZVQUFLIKKCZ-UHFFFAOYSA-N	2	1	500.006	3.861	20	0		KHADMP