smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000028238432	561910070	/nfs/dbraw/zinc/91/00/70/561910070.db2.gz	POEPECHZOIYDPM-WMBKNLHXSA-N	2	3	530.842	4.377	1	0		KIAFHP
C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000038806649	562072459	/nfs/dbraw/zinc/07/24/59/562072459.db2.gz	POEPECHZOIYDPM-OPDRTSFASA-N	2	3	530.842	4.377	1	0		KIAFHP
N[C@@H](CCC(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000044087079	562652275	/nfs/dbraw/zinc/65/22/75/562652275.db2.gz	PPRVWSJTHRIDNG-MHZLTWQESA-N	2	3	593.776	4.405	1	0		KIAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000064527625	562707119	/nfs/dbraw/zinc/70/71/19/562707119.db2.gz	YRTJBUGCGGXTRV-PMERELPUSA-N	2	3	535.777	4.237	1	0		KIAFHP
CCN1CCCN(c2nc3cc(OCCC[NH+]4CCCC4)c(OC)cc3c(NC3CC[NH+](C(C)C)CC3)n2)CC1	ZINC000072114803	562722849	/nfs/dbraw/zinc/72/28/49/562722849.db2.gz	IYHZRYFGYDCPKH-UHFFFAOYSA-N	2	3	553.796	4.320	1	0		KIAFHP
O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CCCN1CCCCC1)C3=O	ZINC000073195909	562734994	/nfs/dbraw/zinc/73/49/94/562734994.db2.gz	JIQMOPBFMUDBJI-UHFFFAOYSA-N	2	3	602.780	4.161	1	0		KIAFHP
C[NH2+]C[C@H](C)CCC[C@H]1C[C@H]2[C@@H]3N[C@@H](C[NH2+]C)CC[C@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O	ZINC000085547395	560072303	/nfs/dbraw/zinc/07/23/03/560072303.db2.gz	HGFBLPHIPGTZSL-UXQORMFCSA-N	2	3	515.827	4.467	1	0	biogenic,in-vitro	KIAFHP
C[NH2+]C[C@H](C)CCC[C@H]1C[C@H]2[C@@H]3N[C@H](C[NH2+]C)CC[C@@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1	ZINC000085547401	560072351	/nfs/dbraw/zinc/07/23/51/560072351.db2.gz	SHPJEQBMSBAEBB-VBEWTHBCSA-N	2	3	539.849	4.489	1	0	biogenic,in-vitro	KIAFHP
C[NH+](C)CCCNCCC(=O)Nc1cc(Cl)ccc1-c1nc2ccccc2c(NCCC[NH+](C)C)n1	ZINC000095562104	562763574	/nfs/dbraw/zinc/76/35/74/562763574.db2.gz	TZEWBSPZWSEQJG-UHFFFAOYSA-N	2	3	512.102	4.184	1	0		KIAFHP
CN1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(C)[C@@H](c5ccccc5)C4)cc3)cc2)C[C@H]1c1ccccc1	ZINC000150582534	562845571	/nfs/dbraw/zinc/84/55/71/562845571.db2.gz	ZGQFBCCNVXJWLQ-JXLNJXQWSA-P	2	3	714.871	4.195	1	0		KIAFHP
CN1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(C)[C@@H](c5ccccc5)C4)cc3)cc2)C[C@@H]1c1ccccc1	ZINC000169304818	562853402	/nfs/dbraw/zinc/85/34/02/562853402.db2.gz	ZGQFBCCNVXJWLQ-FZNHDDJXSA-P	2	3	714.871	4.195	1	0		KIAFHP
CSc1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(SC)cc2)cc1	ZINC000169337221	562859976	/nfs/dbraw/zinc/85/99/76/562859976.db2.gz	FFCBNIQPVFMUPY-UHFFFAOYSA-N	2	3	528.756	4.312	1	0		KIAFHP
C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000253636168	562882322	/nfs/dbraw/zinc/88/23/22/562882322.db2.gz	POEPECHZOIYDPM-GEJYRFSVSA-N	2	3	530.842	4.377	1	0		KIAFHP
C[C@H](C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000253636169	562882320	/nfs/dbraw/zinc/88/23/20/562882320.db2.gz	POEPECHZOIYDPM-RNLBEVMRSA-N	2	3	530.842	4.377	1	0		KIAFHP
CN1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(C)[C@H](c5ccccc5)C4)cc3)cc2)C[C@H]1c1ccccc1	ZINC000299849056	562890429	/nfs/dbraw/zinc/89/04/29/562890429.db2.gz	ZGQFBCCNVXJWLQ-BCRBLDSWSA-P	2	3	714.871	4.195	1	0		KIAFHP
CCCCN1C(=[NH2+])N([C@@H](C)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1	ZINC000095570657	562768369	/nfs/dbraw/zinc/76/83/69/562768369.db2.gz	XKQLIKPNNJOPIW-UGIQSDBZSA-N	2	3	529.777	4.045	3	0		KIAFHP