smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CC[NH+](CCO)CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+](CCO)CCO)cc1C2=O	ZINC000004393898	561694929	/nfs/dbraw/zinc/69/49/29/561694929.db2.gz	MPSGDMIVOLXXBP-UHFFFAOYSA-N	2	2	556.616	-0.308	1	10		KBCFLP
O=C1c2ccccc2C(=O)c2c(NCC[NH+](CCO)CCO)ccc(NCC[NH+](CCO)CCO)c21	ZINC000029552991	562031471	/nfs/dbraw/zinc/03/14/71/562031471.db2.gz	RPGFFEBEEADOLP-UHFFFAOYSA-N	2	2	500.596	-0.141	1	10		KBCFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049888862	562691534	/nfs/dbraw/zinc/69/15/34/562691534.db2.gz	JRFFLTFJJPSALV-FKWFRFQNSA-N	2	2	700.805	-0.791	1	10		KBCFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000049888862	562691533	/nfs/dbraw/zinc/69/15/33/562691533.db2.gz	JRFFLTFJJPSALV-FKWFRFQNSA-N	2	2	700.805	-0.791	1	10		KBCFLP
CCc1c(OC)cc(O[C@@H]2O[C@H](CO)[C@](O)(C[C@H](CN3C(=O)C=CC3=O)c3cc[nH+]c(N)c3)[C@H](O)[C@H]2O)c2c1C(=O)c1cc(C)c(CNC(=[NH2+])NC)c(O)c1C2=O	ZINC000085568801	291626174	/nfs/dbraw/zinc/62/61/74/291626174.db2.gz	KKJTVKIFQGUFNF-PPQHEVHHSA-N	2	2	788.811	-0.084	1	10	biogenic,in-vitro	KBCFLP
CCc1c(OC)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c1C(=O)c1cc(CCc3ccc(N)[nH+]c3)c(CNC(=[NH2+])NC)c(O)c1C2=O	ZINC000085568885	291626170	/nfs/dbraw/zinc/62/61/70/291626170.db2.gz	YYPDOIMPFVJGIW-BZZIXAJMSA-N	2	2	665.700	-0.077	1	10	biogenic,in-vitro	KBCFLP
CNC(=[NH2+])NCc1c(C)cc2c(c1O)C(=O)c1c(O[C@@H]3O[C@H](CO)[C@](O)(CCc4cc[nH+]c(N)c4)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568893	565144077	/nfs/dbraw/zinc/14/40/77/565144077.db2.gz	NBVJUZHQDFWYQH-XINAIRNDSA-N	2	2	651.673	-0.113	1	10	biogenic,in-vitro	KBCFLP
CNC(=[NH2+])NCc1c(CCc2ccc(N)[nH+]c2)cc2c(c1O)C(=O)c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568917	565144508	/nfs/dbraw/zinc/14/45/08/565144508.db2.gz	RQNJXZSXFNUFEK-KIVYANFHSA-N	2	2	637.646	-0.639	1	10	biogenic,in-vitro	KBCFLP
C[NH2+]Cc1c(CCc2ccc(N)[nH+]c2)cc2c(c1O)C(=O)c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)cc1C2=O	ZINC000085568991	291627919	/nfs/dbraw/zinc/62/79/19/291627919.db2.gz	MVGGDXPJIPAHAS-KIVYANFHSA-N	2	2	595.605	-0.163	1	10	biogenic,in-vitro	KBCFLP
NC1(C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)C4([NH3+])CC[NH2+]CC4)cc2C3=O)CC[NH2+]CC1	ZINC000103298897	562824861	/nfs/dbraw/zinc/82/48/61/562824861.db2.gz	LIUOCTVYXLNOTG-UHFFFAOYSA-N	3	2	632.722	-0.487	1	10		KBCFLP
[NH3+]C1(C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)C4([NH3+])CC[NH2+]CC4)cc2C3=O)CC[NH2+]CC1	ZINC000103298897	562824860	/nfs/dbraw/zinc/82/48/60/562824860.db2.gz	LIUOCTVYXLNOTG-UHFFFAOYSA-N	4	2	632.722	-0.487	1	10		KBCFLP
COC(=O)[C@H]([NH3+])CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)NCC[NH2+]CCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21)C(N)=O	ZINC000195504986	562872034	/nfs/dbraw/zinc/87/20/34/562872034.db2.gz	PQCGHLAOFYFGTG-ZNNUDVHBSA-N	4	2	710.793	-0.333	1	10		KBCFLP
C[C@H](NC(=O)C1(N)CC[NH2+]CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)C3([NH3+])CC[NH2+]CC3)cc1C2=O	ZINC000653731218	562909528	/nfs/dbraw/zinc/90/95/28/562909528.db2.gz	LZKPQJTTYUISDJ-ROUUACIJSA-N	3	2	632.722	-0.490	1	10		KBCFLP