smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000003929524	562930133	/nfs/dbraw/zinc/93/01/33/562930133.db2.gz	FHZGWHFEXZFQQX-QWHCGFSZSA-N	2	0	471.563	-1.794	1	30		JAEFRP
CN(CCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCNC(N)=[NH2+])NC1=O)C(N)=[NH2+]	ZINC000028336450	563060032	/nfs/dbraw/zinc/06/00/32/563060032.db2.gz	AXOSFINDHZTSAA-GJZGRUSLSA-N	2	0	496.617	-2.579	1	30		JAEFRP
[NH3+]CCCN(CCC[NH3+])CC(=O)NCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000028874533	563084342	/nfs/dbraw/zinc/08/43/42/563084342.db2.gz	OQHIBOYLAILNRG-KLICCBINSA-N	2	0	468.511	-4.385	1	30		JAEFRP
Nc1nc(C#CCNC(=O)CN(CCC[NH3+])CCC[NH3+])nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000028874538	563084328	/nfs/dbraw/zinc/08/43/28/563084328.db2.gz	OWWNIXYLPIEGQW-RAXVHSSMSA-N	2	0	491.553	-3.513	1	30		JAEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCN[C@H](CCCNC(N)=[NH2+])C1=O)C(=O)c1nccs1	ZINC000029125329	563094684	/nfs/dbraw/zinc/09/46/84/563094684.db2.gz	AWIQGIMATAEJMQ-QWHCGFSZSA-N	2	0	480.599	-2.282	1	30		JAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000029339325	563100894	/nfs/dbraw/zinc/10/08/94/563100894.db2.gz	OYGNULJRJYSSCU-KBPBESRZSA-N	2	0	485.590	-1.823	1	30		JAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCC(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000029339328	563100876	/nfs/dbraw/zinc/10/08/76/563100876.db2.gz	OYGNULJRJYSSCU-KGLIPLIRSA-N	2	0	485.590	-1.823	1	30		JAEFRP
CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000029346216	563101376	/nfs/dbraw/zinc/10/13/76/563101376.db2.gz	FHZGWHFEXZFQQX-STQMWFEESA-N	2	0	471.563	-2.213	1	30		JAEFRP
CCCCCCC[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000036352019	563127211	/nfs/dbraw/zinc/12/72/11/563127211.db2.gz	LQWCJMDLDMFDCF-XKXSSWDPSA-N	2	0	486.566	-1.464	1	30		JAEFRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000040933791	563157090	/nfs/dbraw/zinc/15/70/90/563157090.db2.gz	ZFVCXLDFEURTIP-ULQDDVLXSA-N	3	0	456.592	-1.819	1	30		JAEFRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000040952994	563160177	/nfs/dbraw/zinc/16/01/77/563160177.db2.gz	GKPWPAGTMGHKFJ-JYJNAYRXSA-N	3	0	484.606	-2.685	1	30		JAEFRP