smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCN1CCC(O)CC1)Nc1ccc2cc3ccc(NC(=O)CC[NH+]4CCC(O)CC4)cc3nc2c1	ZINC000026487343	561792646	/nfs/dbraw/zinc/79/26/46/561792646.db2.gz	NFDFBAHQPNJZMG-UHFFFAOYSA-N	1	3	519.646	2.959	1	5		KFBFHO
COC(=O)[C@@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000029406684	562020795	/nfs/dbraw/zinc/02/07/95/562020795.db2.gz	CMXRNOLHWLLQFQ-RBUKOAKNSA-N	1	3	544.590	2.670	1	5		KFBFHO
COC(=O)[C@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC000029406687	562020823	/nfs/dbraw/zinc/02/08/23/562020823.db2.gz	CMXRNOLHWLLQFQ-OALUTQOASA-N	1	3	544.590	2.670	1	5		KFBFHO
COC(=O)[C@@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000029406690	562020829	/nfs/dbraw/zinc/02/08/29/562020829.db2.gz	CMXRNOLHWLLQFQ-RTBURBONSA-N	1	3	544.590	2.670	1	5		KFBFHO
COC(=O)[C@H](Cc1cn(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12)NC(=O)[C@H](N)CCCC[NH3+]	ZINC000029406693	562020835	/nfs/dbraw/zinc/02/08/35/562020835.db2.gz	CMXRNOLHWLLQFQ-MOPGFXCFSA-N	1	3	544.590	2.670	1	5		KFBFHO
CN(C)CCNC(=O)c1ccc(NCC[NH2+]CCNCCN2C(=O)c3cccc4cccc(c43)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	ZINC000049639652	562667756	/nfs/dbraw/zinc/66/77/56/562667756.db2.gz	JZFPYANFCYZJHQ-UHFFFAOYSA-N	1	3	678.750	2.921	1	5		KFBFHO
CN(C)CCNC(=O)c1ccc(NCCNCC[NH2+]CCN2C(=O)c3cccc4cccc(c43)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	ZINC000049639652	562667755	/nfs/dbraw/zinc/66/77/55/562667755.db2.gz	JZFPYANFCYZJHQ-UHFFFAOYSA-N	1	3	678.750	2.921	1	5		KFBFHO
COc1ccccc1CNCCn1c(=O)c2ccc3c(=O)n(CC[NH2+]Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34	ZINC000049723160	562673029	/nfs/dbraw/zinc/67/30/29/562673029.db2.gz	ACAQAVCHZXDMOG-UHFFFAOYSA-N	1	3	592.652	2.662	1	5		KFBFHO
C[N+](C)(C)CCCC[C@H](N)C(=O)N[C@@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])C(N)=O	ZINC000071341595	562719991	/nfs/dbraw/zinc/71/99/91/562719991.db2.gz	ICYHDQHKGWQUJA-FPOVZHCZSA-O	1	3	527.671	2.944	1	5		KFBFHO
O=C(CCN1CCC(O)CC1)Nc1ccc2[nH]c3cc(NC(=O)CC[NH+]4CCC(O)CC4)ccc3c(=O)c2c1	ZINC000095606553	562782146	/nfs/dbraw/zinc/78/21/46/562782146.db2.gz	ALJIHEDQQKQVAW-UHFFFAOYSA-N	1	3	535.645	2.664	1	5		KFBFHO
O=C(CCN1CCC(O)CC1)Nc1ccc2c(c1)[nH]c1ccc(NC(=O)CCN3CCC(O)CC3)cc1c2=O	ZINC000095606553	562782145	/nfs/dbraw/zinc/78/21/45/562782145.db2.gz	ALJIHEDQQKQVAW-UHFFFAOYSA-N	1	3	535.645	2.664	1	5		KFBFHO