smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](CCOCCNc2cc3c(=O)n(CC[NH+](C)C)c(=O)c4ccc5c(=O)n(CC[NH+](C)C)c(=O)c2c5c43)CC1	ZINC000096935053	562804008	/nfs/dbraw/zinc/80/40/08/562804008.db2.gz	AHBYOGABMSQOHV-UHFFFAOYSA-N	3	1	593.729	-0.135	1	5		KBBFMP
CN1CC[NH+](CCOCCOCCNc2cc3c(=O)n(CC[NH+](C)C)c(=O)c4ccc5c(=O)n(CC[NH+](C)C)c(=O)c2c5c43)CC1	ZINC000096937362	562804153	/nfs/dbraw/zinc/80/41/53/562804153.db2.gz	RTINIMXBCBODCC-UHFFFAOYSA-N	3	1	637.782	-0.119	1	5		KBBFMP
CN1CC[NH+](CCOCCOCCOCCNc2cc3c(=O)n(CC[NH+](C)C)c(=O)c4ccc5c(=O)n(CC[NH+](C)C)c(=O)c2c5c43)CC1	ZINC000096937366	562804183	/nfs/dbraw/zinc/80/41/83/562804183.db2.gz	NPRBSEQXFVVHEA-UHFFFAOYSA-N	3	1	681.835	-0.102	1	5		KBBFMP
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O	ZINC000169349499	562862615	/nfs/dbraw/zinc/86/26/15/562862615.db2.gz	BTZCGWWDLJTNOS-YAOOYPAMSA-N	2	1	817.646	-0.342	1	5		KBBFMP
COC(=O)[C@H]([NH3+])CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000195514049	562872101	/nfs/dbraw/zinc/87/21/01/562872101.db2.gz	DGLZPEQFAHNMQL-YPIYEQTHSA-N	2	1	697.750	-0.239	1	5		KBBFMP