smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)NCC(=O)NCC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000004958384	554483804	/nfs/dbraw/zinc/48/38/04/554483804.db2.gz	XRQICAQKODIOEU-OAHLLOKOSA-N	-1	1	451.480	-1.156	40	0		JAABMM
NCC(=O)NCC(=O)NCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000008619185	527158852	/nfs/dbraw/zinc/15/88/52/527158852.db2.gz	XRQICAQKODIOEU-HNNXBMFYSA-N	-1	1	451.480	-1.156	40	0		JAABMM
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000015721309	555955486	/nfs/dbraw/zinc/95/54/86/555955486.db2.gz	GTYVWTFUSMUWHM-VGWMRTNUSA-N	-1	1	486.547	-2.461	40	0		JAABMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000015721324	555955465	/nfs/dbraw/zinc/95/54/65/555955465.db2.gz	LDOAJVVLPHLOOI-GUBZILKMSA-N	-1	1	490.474	-5.669	40	0		JAABMM
O=C([O-])CN1CC[NH+](CC(=O)[O-])CCN([C@H](CO)[C@H](O)CO)CC[N@@H+](CC(=O)[O-])CC1	ZINC000022446966	527611635	/nfs/dbraw/zinc/61/16/35/527611635.db2.gz	JZNZSKXIEDHOBD-HUUCEWRRSA-N	-1	1	450.489	-3.824	40	0	world	JAABMM
O=C([O-])CN1CC[NH+](CC(=O)[O-])CCN([C@H](CO)[C@@H](O)CO)CC[N@@H+](CC(=O)[O-])CC1	ZINC000030691571	563107830	/nfs/dbraw/zinc/10/78/30/563107830.db2.gz	JZNZSKXIEDHOBD-CABCVRRESA-N	-1	1	450.489	-3.824	40	0	world	JAABMM
O=C([O-])CN1CC[NH+](CC(=O)[O-])CCN([C@@H](CO)[C@H](O)CO)CC[N@@H+](CC(=O)[O-])CC1	ZINC000030691574	563107845	/nfs/dbraw/zinc/10/78/45/563107845.db2.gz	JZNZSKXIEDHOBD-LSDHHAIUSA-N	-1	1	450.489	-3.824	40	0	world	JAABMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000575125023	1067105657	/nfs/dbraw/zinc/10/56/57/1067105657.db2.gz	RGNVSYKVCGAEHK-LPEHRKFASA-N	-1	1	490.474	-5.669	40	0		JAABMM
CC(=O)N([C@@H](C)C(=O)N[C@H](CCC(=O)[O-])C(N)=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]1[NH3+]	ZINC000604940601	1067048589	/nfs/dbraw/zinc/04/85/89/1067048589.db2.gz	JLUXOCLCUOPGIV-MUPGSPFSSA-N	-1	1	492.482	-3.678	40	0		JAABMM
CC(=O)N([C@@H](C)C(=O)N[C@H](CCC(=O)[O-])C(N)=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]1[NH3+]	ZINC000604940602	1067048509	/nfs/dbraw/zinc/04/85/09/1067048509.db2.gz	JLUXOCLCUOPGIV-XDZLODAMSA-N	-1	1	492.482	-3.678	40	0		JAABMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)[O-])C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000606530840	1067099944	/nfs/dbraw/zinc/09/99/44/1067099944.db2.gz	LDOAJVVLPHLOOI-AEJSXWLSSA-N	-1	1	490.474	-5.669	40	0		JAABMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)[O-])C(=O)NCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000606530843	1067100123	/nfs/dbraw/zinc/10/01/23/1067100123.db2.gz	LDOAJVVLPHLOOI-IVZWLZJFSA-N	-1	1	490.474	-5.669	40	0		JAABMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000606530844	1067100089	/nfs/dbraw/zinc/10/00/89/1067100089.db2.gz	LDOAJVVLPHLOOI-LPEHRKFASA-N	-1	1	490.474	-5.669	40	0		JAABMM