smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)C[C@H](O)CC(=O)OC1=NC(=O)NC(=O)C1N=C1C(=O)[N-]C(=O)NC1=O	ZINC001227473629	1072286701	/nfs/dbraw/zinc/28/67/01/1072286701.db2.gz	OCBUWGKFQAMANP-ZCFIWIBFSA-O	0	2	411.351	-2.311	20	30		HAEDLN
O=C1O[C@@H]2[C@H](Oc3[nH]c(=O)[nH]c(=O)c3N=C3C(=O)NC(=O)NC3=O)[C@H]3C[C@@H]1[C@@H]2C3	ZINC001227473725	1072286592	/nfs/dbraw/zinc/28/65/92/1072286592.db2.gz	QFAUJPLQXSYTKU-AQCYNBHVSA-N	0	2	403.307	-1.345	20	30		HAEDLN
O=C1O[C@H]2[C@H](Oc3[nH]c(=O)[nH]c(=O)c3N=C3C(=O)NC(=O)NC3=O)[C@H]3C[C@@H]1[C@@H]2C3	ZINC001227473728	1072286811	/nfs/dbraw/zinc/28/68/11/1072286811.db2.gz	QFAUJPLQXSYTKU-KDUBMLPZSA-N	0	2	403.307	-1.345	20	30		HAEDLN
O=C1O[C@H]2[C@H](Oc3[nH]c(=O)[nH]c(=O)c3N=C3C(=O)NC(=O)NC3=O)[C@H]3C[C@H]1[C@@H]2C3	ZINC001227473733	1072286793	/nfs/dbraw/zinc/28/67/93/1072286793.db2.gz	QFAUJPLQXSYTKU-LWFAFUMWSA-N	0	2	403.307	-1.345	20	30		HAEDLN
N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O	ZINC001459137131	1072512758	/nfs/dbraw/zinc/51/27/58/1072512758.db2.gz	LFUWOCFVLUCFCA-UHFFFAOYSA-N	0	2	403.420	-1.059	20	30		HAEDLN
N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)c(=O)[n-]c1=O	ZINC001607489607	1072648743	/nfs/dbraw/zinc/64/87/43/1072648743.db2.gz	QWTULWJKGAPPPH-CYBMUJFWSA-N	0	2	416.438	-1.615	20	30		HAEDLN
N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)c(=O)[n-]c1=O	ZINC001607489615	1072648737	/nfs/dbraw/zinc/64/87/37/1072648737.db2.gz	QWTULWJKGAPPPH-ZDUSSCGKSA-N	0	2	416.438	-1.615	20	30		HAEDLN
C[C@H]1CN(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C[C@H](C)O1	ZINC001642059511	1072726951	/nfs/dbraw/zinc/72/69/51/1072726951.db2.gz	QZTJDWSHVIKMJP-RYUDHWBXSA-N	0	2	412.472	-1.579	20	30		HAEDLN
C[C@@H]1CN(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C[C@H](C)O1	ZINC001642059512	1072726960	/nfs/dbraw/zinc/72/69/60/1072726960.db2.gz	QZTJDWSHVIKMJP-TXEJJXNPSA-N	0	2	412.472	-1.579	20	30		HAEDLN
C[C@@H]1CN(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C[C@@H](C)O1	ZINC001642059513	1072726927	/nfs/dbraw/zinc/72/69/27/1072726927.db2.gz	QZTJDWSHVIKMJP-VXGBXAGGSA-N	0	2	412.472	-1.579	20	30		HAEDLN