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]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005706878	560202742	/nfs/dbraw/zinc/20/27/42/560202742.db2.gz	OMLWNBVRVJYMBQ-SFYZADRCSA-N	2	0	330.393	-2.590	1	0	endogenous,in-vitro	EAAFRP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005706879	574412548	/nfs/dbraw/zinc/41/25/48/574412548.db2.gz	OMLWNBVRVJYMBQ-JGVFFNPUSA-N	2	0	330.393	-2.590	1	0	endogenous,in-vitro	EAAFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005706880	574412565	/nfs/dbraw/zinc/41/25/65/574412565.db2.gz	OMLWNBVRVJYMBQ-HTQZYQBOSA-N	2	0	330.393	-2.590	1	0	endogenous,in-vitro	EAAFRP
C[NH2+]C[C@@H]1CC[C@@H]([NH3+])[C@H](O[C@@H]2[C@H]([NH3+])C[C@H](OC)[C@H]([NH2+]C)[C@@H]2O)O1	ZINC000005996400	560204173	/nfs/dbraw/zinc/20/41/73/560204173.db2.gz	GKYYNFPFPFRFFN-FJBKTCEDSA-N	4	0	332.445	-1.882	1	0	in-vitro	EAAFRP
C[NH2+]C[C@H]1CC[C@H]([NH3+])[C@H](O[C@@H]2[C@H]([NH3+])C[C@H](OC)[C@H]([NH2+]C)[C@@H]2O)O1	ZINC000005996435	560204174	/nfs/dbraw/zinc/20/41/74/560204174.db2.gz	GKYYNFPFPFRFFN-XHRZTBJUSA-N	4	0	332.445	-1.882	1	0	in-vitro	EAAFRP
C[NH2+]C[C@H]1CC[C@@H]([NH3+])[C@H](O[C@@H]2[C@H]([NH3+])C[C@H](OC)[C@H]([NH2+]C)[C@@H]2O)O1	ZINC000005996437	560204179	/nfs/dbraw/zinc/20/41/79/560204179.db2.gz	GKYYNFPFPFRFFN-QDPIEQESSA-N	4	0	332.445	-1.882	1	0	in-vitro	EAAFRP
NC(=O)[C@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C[NH2+]1	ZINC000012501568	211393982	/nfs/dbraw/zinc/39/39/82/211393982.db2.gz	IUFRDGFKAVLPFZ-XLPZGREQSA-N	2	0	330.349	-3.268	1	0		EAAFRP
NC(=O)[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C[NH2+]1	ZINC000013559334	201900790	/nfs/dbraw/zinc/90/07/90/201900790.db2.gz	IUFRDGFKAVLPFZ-BWZBUEFSSA-N	2	0	330.349	-3.268	1	0		EAAFRP
CCOC(=O)CN1CC[NH2+]CCN(CC(=O)OCC)CC[NH2+]CC1	ZINC000019362260	212021454	/nfs/dbraw/zinc/02/14/54/212021454.db2.gz	OSUSAIGNKHQTHJ-UHFFFAOYSA-N	2	0	344.456	-1.091	1	0		EAAFRP
[NH3+]C[C@H]1O[C@H](O[C@H]2C[C@@H]3COC(=O)N3CC[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O	ZINC000027847600	202160718	/nfs/dbraw/zinc/16/07/18/202160718.db2.gz	JEYTZOCWLZOWNU-GFULLKHYSA-N	3	0	346.384	-2.954	1	0		EAAFRP
NC(=[NH2+])Nc1cccnc1[C@H]1C[C@@H](O)[C@H](NC(N)=[NH2+])C[C@@H]1NC(N)=[NH2+]	ZINC000028571794	202172974	/nfs/dbraw/zinc/17/29/74/202172974.db2.gz	VDGOUXBSQCLFIJ-BEYHFKMWSA-N	3	0	348.415	-1.671	1	0		EAAFRP
NC(=[NH2+])Nc1ccccc1[C@H]1C[C@@H](O)[C@H](NC(N)=[NH2+])C[C@@H]1NC(N)=[NH2+]	ZINC000028572527	212625592	/nfs/dbraw/zinc/62/55/92/212625592.db2.gz	DXVWPBPKFXXJJV-SASUGWTJSA-N	3	0	347.427	-1.066	1	0		EAAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Cl)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000028604392	135740980	/nfs/dbraw/zinc/74/09/80/135740980.db2.gz	KVZHSGHRBVTVAK-YNFQOJQRSA-N	4	0	341.851	-1.746	1	0		EAAFRP
CNc1nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)nc(N2C[C@H]([NH3+])C[C@H]([NH3+])C2)n1	ZINC000028604395	135741019	/nfs/dbraw/zinc/74/10/19/135741019.db2.gz	OXTZNLYLWOHSTJ-DTIDVZRVSA-N	4	0	336.448	-2.357	1	0		EAAFRP
Nc1nc(NCCCNC(=O)[C@@](N)(CCC[NH3+])C(F)F)nc(N)[nH+]1	ZINC000040894924	213398358	/nfs/dbraw/zinc/39/83/58/213398358.db2.gz	CJGRZYBNVIYBED-GFCCVEGCSA-N	2	0	347.374	-1.344	1	0		EAAFRP
Nc1nc(NCCCNC(=O)[C@](N)(CCC[NH3+])C(F)F)nc(N)[nH+]1	ZINC000040894927	213398457	/nfs/dbraw/zinc/39/84/57/213398457.db2.gz	CJGRZYBNVIYBED-LBPRGKRZSA-N	2	0	347.374	-1.344	1	0		EAAFRP
[NH3+][C@@H]1C[C@H]([NH3+])[C@@]2(CC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)O2)[C@H](O)[C@H]1O	ZINC000103265909	219279113	/nfs/dbraw/zinc/27/91/13/219279113.db2.gz	OPYSBLLPJTWWGV-BOJIDMFESA-N	3	0	328.413	-2.448	1	0		EAAFRP
N=C1N2CCC(O)(O)[C@]23NC(=[NH2+])N[C@@H]3[C@H](COC(=O)NO)N1O	ZINC000206507623	560041558	/nfs/dbraw/zinc/04/15/58/560041558.db2.gz	YBDAUZJLBCGWOB-LBACSGLVSA-N	2	0	331.289	-3.521	1	0	endogenous,in-man	EAAFRP
N=C1N2CCC(O)(O)[C@@]23NC(=[NH2+])N[C@@H]3[C@H](COC(=O)NO)N1O	ZINC000206507655	560041550	/nfs/dbraw/zinc/04/15/50/560041550.db2.gz	YBDAUZJLBCGWOB-LYAQYDMKSA-N	2	0	331.289	-3.521	1	0	endogenous,in-man	EAAFRP