smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C(=O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1	ZINC000013513777	188097486	/nfs/dbraw/zinc/09/74/86/188097486.db2.gz	WBJZXBUVECZHCE-BYPYZUCNSA-N	0	0	237.219	-1.284	10	10	endogenous,in-man	BACERN
CN(C)C([O-])=N[N+](=O)C(CO)(CO)[N+](=O)[O-]	ZINC000019321792	384516106	/nfs/dbraw/zinc/51/61/06/384516106.db2.gz	JAIPVHINLNIMJK-CLFYSBASSA-N	0	0	236.184	-1.412	10	10		BACERN
CN(C)C(=O)CNC1=NC(=O)C(=O)S1	ZINC000039097628	172370085	/nfs/dbraw/zinc/37/00/85/172370085.db2.gz	FXYZAJSCUIWKQE-UHFFFAOYSA-N	0	0	215.234	-1.180	10	10		BACERN
NC(=S)N/N=N/[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000095921598	181318745	/nfs/dbraw/zinc/31/87/45/181318745.db2.gz	TWKUWGZPHPCRCI-YVZJFKFKSA-N	0	0	224.242	-2.781	10	10		BACERN
CC(=O)C(=O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1	ZINC000100028524	571801338	/nfs/dbraw/zinc/80/13/38/571801338.db2.gz	WBJZXBUVECZHCE-SCSAIBSYSA-N	0	0	237.219	-0.872	10	10	endogenous,in-man	BACERN
O=C1NC(=O)[C@H]2C1=CC=CC2=S(=O)=O	ZINC000100377761	384638003	/nfs/dbraw/zinc/63/80/03/384638003.db2.gz	DISOQBOCQAEMAE-LURJTMIESA-N	0	0	211.198	-1.193	10	10		BACERN
O=C1NC(=O)[C@@H]2C1=CC=CC2=S(=O)=O	ZINC000100377765	384638210	/nfs/dbraw/zinc/63/82/10/384638210.db2.gz	DISOQBOCQAEMAE-ZCFIWIBFSA-N	0	0	211.198	-1.193	10	10		BACERN
O=C(N=NC(=O)NCCO)NCCO	ZINC000254611918	398320024	/nfs/dbraw/zinc/32/00/24/398320024.db2.gz	HHPYLMLNMNDPAL-UHFFFAOYSA-N	0	0	204.186	-1.158	10	10		BACERN
N=NC(=N)N(CO)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000504249298	226340885	/nfs/dbraw/zinc/34/08/85/226340885.db2.gz	FYNSQQLFZLFAQA-ARQDHWQXSA-N	0	0	234.212	-2.357	10	10		BACERN
N=NC(=N)N(CO)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000504249299	226340712	/nfs/dbraw/zinc/34/07/12/226340712.db2.gz	FYNSQQLFZLFAQA-DPYQTVNSSA-N	0	0	234.212	-2.357	10	10		BACERN