smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CN(CCc1ccccc1)C(=O)[C@H]1CCCCN1	ZINC000003807370	562938431	/nfs/dbraw/zinc/93/84/31/562938431.db2.gz	SUVFWJSLUFIAND-RBUKOAKNSA-N	1	3	430.553	0.147	1	30		ICEFHO
CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(C=O)CCCNC(N)=[NH2+]	ZINC000003823930	562938917	/nfs/dbraw/zinc/93/89/17/562938917.db2.gz	CVOKUEIRLXMZAG-SPEDKVCISA-N	1	3	430.553	0.145	1	30		ICEFHO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CN(CCCc1ccccc1)C(=O)[C@H]1CCCCN1	ZINC000026570982	563033348	/nfs/dbraw/zinc/03/33/48/563033348.db2.gz	WYULDZBZITVKLJ-VQTJNVASSA-N	1	3	444.580	0.537	1	30		ICEFHO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1CCCCN1	ZINC000026572256	563033377	/nfs/dbraw/zinc/03/33/77/563033377.db2.gz	NBTJCEXVPXPFNU-RBUKOAKNSA-N	1	3	436.601	0.874	1	30		ICEFHO
CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028246862	563052273	/nfs/dbraw/zinc/05/22/73/563052273.db2.gz	QBPBMRWURGJSSO-WTGUMLROSA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028246872	563052256	/nfs/dbraw/zinc/05/22/56/563052256.db2.gz	QBPBMRWURGJSSO-UAFMIMERSA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028247130	563052210	/nfs/dbraw/zinc/05/22/10/563052210.db2.gz	QBPBMRWURGJSSO-ZRNYENFQSA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028247137	563052207	/nfs/dbraw/zinc/05/22/07/563052207.db2.gz	QBPBMRWURGJSSO-YSTOQKLRSA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254512	563052338	/nfs/dbraw/zinc/05/23/38/563052338.db2.gz	QBPBMRWURGJSSO-WCIQWLHISA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254516	563052360	/nfs/dbraw/zinc/05/23/60/563052360.db2.gz	QBPBMRWURGJSSO-IYWMVGAKSA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254649	563052346	/nfs/dbraw/zinc/05/23/46/563052346.db2.gz	QBPBMRWURGJSSO-FYQPLNBISA-N	1	3	444.580	0.229	1	30		ICEFHO
CN[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254654	563052383	/nfs/dbraw/zinc/05/23/83/563052383.db2.gz	QBPBMRWURGJSSO-FUMNGEBKSA-N	1	3	444.580	0.229	1	30		ICEFHO