smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4c([N+](=O)[O-])ncn4C)c3[nH+]c12	ZINC000005543442	562934178	/nfs/dbraw/zinc/93/41/78/562934178.db2.gz	IVJHUNMZFWXMGG-UHFFFAOYSA-O	2	0	462.534	2.927	1	10		JFCFRP
C[N+](C)(C)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CC[N+](C)(C)C)cccc1C2=O	ZINC000004393907	562933261	/nfs/dbraw/zinc/93/32/61/562933261.db2.gz	UMXTXLZAKAPLTM-UHFFFAOYSA-P	2	0	466.582	2.532	1	10		JFCFRP
NC(=[NH2+])NCCS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3[nH+]c3ccc(N)cc32)cc1	ZINC000026838211	563036641	/nfs/dbraw/zinc/03/66/41/563036641.db2.gz	RVZGOLNAVICUMJ-UHFFFAOYSA-N	2	0	464.555	2.521	1	10		JFCFRP
NC(=[NH2+])NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3c(C(N)=O)cccc23)cc1	ZINC000026846997	563037129	/nfs/dbraw/zinc/03/71/29/563037129.db2.gz	LCPSXEOZXWQDBQ-UHFFFAOYSA-N	2	0	491.577	2.845	1	10		JFCFRP
CC(C)C[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CC(C)C)ccc1C2=O	ZINC000040429839	563143436	/nfs/dbraw/zinc/14/34/36/563143436.db2.gz	BTABHVPIAAKKHL-UHFFFAOYSA-N	2	0	464.566	2.830	1	10	in-vivo	JFCFRP
NC(=[NH2+])NCCCS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3[nH+]c3ccc(N)cc32)cc1	ZINC000026842867	563036898	/nfs/dbraw/zinc/03/68/98/563036898.db2.gz	AGENIIVHTXLDTB-UHFFFAOYSA-N	2	0	478.582	2.911	1	10		JFCFRP
C[N+](C)(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+](C)(C)C)ccc1C2=O	ZINC000013556252	562973703	/nfs/dbraw/zinc/97/37/03/562973703.db2.gz	CZLLJOGIRSBMQN-UHFFFAOYSA-P	2	0	466.582	2.532	1	10		JFCFRP
C[N+](C)(C)CCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)CC[N+](C)(C)C)c1C2=O	ZINC000013556238	562973759	/nfs/dbraw/zinc/97/37/59/562973759.db2.gz	OEOGTNYPNGSQHS-UHFFFAOYSA-P	2	0	466.582	2.532	1	10		JFCFRP
COc1cc2c3c(n(CC[NH+](C)C)c(=O)c2cc1OC)-c1ccc(OCC[NH+](C)C)cc1C3=O	ZINC000045497592	563196130	/nfs/dbraw/zinc/19/61/30/563196130.db2.gz	UMPNEILIWMPHIU-UHFFFAOYSA-N	2	0	465.550	2.732	1	10		JFCFRP
C[N+](C)(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N+](C)(C)C)cc1C2=O	ZINC000004393897	562933296	/nfs/dbraw/zinc/93/32/96/562933296.db2.gz	IACZLQICPFIZBE-UHFFFAOYSA-P	2	0	466.582	2.532	1	10		JFCFRP
CC[N@H+](CCNC(=O)[C@@H]([NH3+])[C@@H](C)O)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045284774	563183699	/nfs/dbraw/zinc/18/36/99/563183699.db2.gz	OXJCULJANWWDNP-CMJOXMDJSA-N	2	0	471.989	2.984	1	10		JFCFRP
CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(NC(=O)NCCC[N+](C)(C)C)[n+]3C)cc1	ZINC000005597211	717100320	/nfs/dbraw/zinc/10/03/20/717100320.db2.gz	FFSXHGQURYDFCL-NKFKGCMQSA-P	2	0	460.626	2.749	1	10		JFCFRP
C[N+](C)(C)CCC(=O)Nc1ccc(NC(=O)CC[N+](C)(C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000013556235	562973725	/nfs/dbraw/zinc/97/37/25/562973725.db2.gz	WFELVENOXAZADE-UHFFFAOYSA-P	2	0	466.582	2.532	1	10		JFCFRP