smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=[NH2+])SCCN(CCSC(=[NH2+])NCC=C)C(N)=O	ZINC000008615430	210975354	/nfs/dbraw/zinc/97/53/54/210975354.db2.gz	RUOIBNPEWXWUAW-UHFFFAOYSA-N	2	0	344.510	1.254	40	30		EDEBRP
CN1C[C@@]2(CC[N@@H+](C3CCOCC3)C[C@@H]2O)O/C1=N\c1ccccc1	ZINC000257267887	443127095	/nfs/dbraw/zinc/12/70/95/443127095.db2.gz	MJGKWSYYUVPYIH-JJORHNJLSA-N	2	0	345.443	1.621	40	30		EDEBRP
COc1cc2cccnc2c(NCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1	ZINC000001687493	274102964	/nfs/dbraw/zinc/10/29/64/274102964.db2.gz	DHCNGERNSTWNMW-UHFFFAOYSA-N	2	0	343.435	1.283	40	30		EDEBRP
C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C#N)c1	ZINC000096186213	442061908	/nfs/dbraw/zinc/06/19/08/442061908.db2.gz	SSMMSFXPTMZBTB-QZTJIDSGSA-N	2	0	326.444	1.685	40	30		EDEBRP
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N=NC1C[NH+]2CCC1CC2	ZINC000004187796	440912017	/nfs/dbraw/zinc/91/20/17/440912017.db2.gz	VUNVISCHTOJBHH-SILNSSARSA-N	2	0	344.419	1.498	40	30		EDEBRP