smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(O[C@@H]2C[NH2+][C@H](C(=O)N3CCC[N@@H+](C4CCC4)CC3)C2)cc1	ZINC000049113673	205169672	/nfs/dbraw/zinc/16/96/72/205169672.db2.gz	DCLRBWCBZZADCC-PMACEKPBSA-N	2	0	368.481	1.754	1	30		FDEFRP
O/N=C/c1cc[n+](COC/C=C\COC[n+]2ccc(/C=N\O)cc2)cc1	ZINC000040422375	205070232	/nfs/dbraw/zinc/07/02/32/205070232.db2.gz	XYRZNHHPDRUQRO-UPHRSURJSA-P	2	0	358.398	1.082	1	30		FDEFRP
NC(=[NH2+])Nc1ccc(NC(=O)Nc2ccc(NC3=[NH+]CCN3)cc2)cc1	ZINC000049793085	221028073	/nfs/dbraw/zinc/02/80/73/221028073.db2.gz	CGIHRBFYLRUIAR-UHFFFAOYSA-N	2	0	352.402	1.816	1	30		FDEFRP
Cc1cc(CSC(=[NH2+])NC(N)=[NH2+])c(C)cc1CSC(=[NH2+])NC(N)=[NH2+]	ZINC000014966613	581092176	/nfs/dbraw/zinc/09/21/76/581092176.db2.gz	UQMGTQSCMRRWFV-UHFFFAOYSA-N	4	0	366.520	1.186	1	30	in-vitro	FDEFRP
C=C(CC[NH2+]C)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=[NH2+])NC)[C@H]2C1	ZINC000085549810	291032774	/nfs/dbraw/zinc/03/27/74/291032774.db2.gz	LSSDGVDKBRWHLF-HROONELDSA-N	2	0	366.550	1.594	1	30	biogenic,in-vitro	FDEFRP
N#Cc1ccc(O[C@H]2C[NH2+][C@@H](C(=O)N3CCC[N@@H+](C4CCC4)CC3)C2)cc1	ZINC000049113993	221019766	/nfs/dbraw/zinc/01/97/66/221019766.db2.gz	DCLRBWCBZZADCC-WOJBJXKFSA-N	2	0	368.481	1.754	1	30		FDEFRP
CN(C)CCO/N=C1\c2ccn(CC[NH+](C)C)c2C(=O)c2cnccc21	ZINC000101427795	222273899	/nfs/dbraw/zinc/27/38/99/222273899.db2.gz	DKNUTKWGKBDFMK-FXBPSFAMSA-N	2	0	355.442	1.320	1	30		FDEFRP
N#Cc1ccc(O[C@@H]2C[NH2+][C@@H](C(=O)N3CCC[N@@H+](C4CCC4)CC3)C2)cc1	ZINC000049088320	221019492	/nfs/dbraw/zinc/01/94/92/221019492.db2.gz	DCLRBWCBZZADCC-VQTJNVASSA-N	2	0	368.481	1.754	1	30		FDEFRP