smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCC[NH+](CCC#N)[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002042299	347964651	/nfs/dbraw/zinc/96/46/51/347964651.db2.gz	JQXSGQACFFFOIU-SECBINFHSA-N	-1	2	253.258	0.434	40	30		CCEBLM
CCOC(=O)C(CCCCC(=O)[O-])N=Nc1nc[nH]n1	ZINC000584906265	359245087	/nfs/dbraw/zinc/24/50/87/359245087.db2.gz	RPHQOLSRTFVHCI-ZSOIEALJSA-N	-1	2	283.288	0.781	40	30		CCEBLM
O=C([O-])c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1O	ZINC000038191173	260129185	/nfs/dbraw/zinc/12/91/85/260129185.db2.gz	DEMBCRLHGGEUOK-UHFFFAOYSA-N	-1	2	292.207	0.065	40	30		CCEBLM
O=[N+]([O-])c1cc(CN=Nc2nn[nH]n2)c([O-])c([N+](=O)[O-])c1	ZINC000016383212	304798599	/nfs/dbraw/zinc/79/85/99/304798599.db2.gz	XJFBKWKALVITPG-YCRREMRBSA-N	-1	2	294.187	0.168	40	30		CCEBLM
O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N\O	ZINC000006507110	348004311	/nfs/dbraw/zinc/00/43/11/348004311.db2.gz	ZPWHMYNAWBMHPK-ZHACJKMWSA-N	-1	2	253.235	0.708	40	30	in-vitro	CCEBLM
O=Cc1c(=O)[nH]c(=S)n(-c2ccc(Cl)cc2)c1[O-]	ZINC000100932227	349660085	/nfs/dbraw/zinc/66/00/85/349660085.db2.gz	SNAWOOWLKPWJSJ-MRVPVSSYSA-N	-1	2	282.708	0.903	40	30		CCEBLM
O=Cc1c(=O)[nH]c(=S)n(-c2ccc(Cl)cc2)c1[O-]	ZINC000100932228	349659888	/nfs/dbraw/zinc/65/98/88/349659888.db2.gz	SNAWOOWLKPWJSJ-QMMMGPOBSA-N	-1	2	282.708	0.903	40	30		CCEBLM
CCc1n[n-]c(=N/N=C/c2cccc([N+](=O)[O-])c2O)n1N	ZINC000408720787	389376184	/nfs/dbraw/zinc/37/61/84/389376184.db2.gz	ZLQMHEYWFLKYLN-AWNIVKPZSA-N	-1	2	291.271	0.036	40	30		CCEBLM
N#CCC[NH+](CCC#N)[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001733675	347961427	/nfs/dbraw/zinc/96/14/27/347961427.db2.gz	JQXSGQACFFFOIU-VIFPVBQESA-N	-1	2	253.258	0.434	40	30		CCEBLM