smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c(Nc3ccc(CCCC(C[NH3+])C[NH3+])cc3)c3cccc(C(=O)NCC[NH+](C)C)c3[nH+]c12	ZINC000026822765	561821436	/nfs/dbraw/zinc/82/14/36/561821436.db2.gz	GKRURKIYWNTTRY-UHFFFAOYSA-N	4	2	528.701	4.288	1	10		KICFLP
NC(=[NH2+])NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026847710	561826782	/nfs/dbraw/zinc/82/67/82/561826782.db2.gz	VVBFRNRWNIHTMB-UHFFFAOYSA-N	2	2	507.576	4.045	1	10		KICFLP
NC(=[NH2+])NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000026851473	561827284	/nfs/dbraw/zinc/82/72/84/561827284.db2.gz	YLQDWTIPYILIAJ-UHFFFAOYSA-N	2	2	521.603	4.435	1	10		KICFLP
CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(OC)c3[nH+]c3c(C(=O)NCC[NH+](C)C)cccc23)c1	ZINC000027524890	561865871	/nfs/dbraw/zinc/86/58/71/561865871.db2.gz	VYTSCEFMWWBBCD-UHFFFAOYSA-N	2	2	531.613	4.492	1	10		KICFLP
C[NH+](C)CCNC(=O)c1cccc2c(NCC[NH2+]CC[NH2+]CCNc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)c3ccccc3[nH+]c12	ZINC000027653294	561876976	/nfs/dbraw/zinc/87/69/76/561876976.db2.gz	ROISZXYAKVEWPR-UHFFFAOYSA-N	6	2	728.946	4.375	1	10		KICFLP
C[NH+](C)CCNc1ccc(NCCC[NH+](C)CCCNc2ccc(NCC[NH+](C)C)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O	ZINC000029133987	562003845	/nfs/dbraw/zinc/00/38/45/562003845.db2.gz	BKLHPIOAVXKQSG-UHFFFAOYSA-N	3	2	731.902	4.210	1	10		KICFLP
C[NH+](C)CCNc1ccc(NCCC[NH+](C)CCCNc2ccc(NCC[NH+](C)C)c3c2C(=O)c2ccncc2C3=O)c2c1C(=O)c1cnccc1C2=O	ZINC000029134405	562004063	/nfs/dbraw/zinc/00/40/63/562004063.db2.gz	PVVLEDHRTPOYIS-UHFFFAOYSA-N	3	2	731.902	4.210	1	10		KICFLP
C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000049889453	562692089	/nfs/dbraw/zinc/69/20/89/562692089.db2.gz	MWOCAJJNPFWEJP-FSLZQKRLSA-N	2	2	730.855	4.445	1	10		KICFLP
C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000049889454	562692075	/nfs/dbraw/zinc/69/20/75/562692075.db2.gz	MWOCAJJNPFWEJP-LTQFMTQQSA-N	2	2	730.855	4.445	1	10		KICFLP
C/C=C\[C@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000049889455	562692108	/nfs/dbraw/zinc/69/21/08/562692108.db2.gz	MWOCAJJNPFWEJP-BDOJHNQSSA-N	2	2	730.855	4.445	1	10		KICFLP
C/C=C\[C@@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000049889456	562692121	/nfs/dbraw/zinc/69/21/21/562692121.db2.gz	MWOCAJJNPFWEJP-PWGWQRHFSA-N	2	2	730.855	4.445	1	10		KICFLP
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4c(C(=O)N5CC[NH+](CCO)CC5)cccc34)cc2)n1	ZINC000073389908	562738547	/nfs/dbraw/zinc/73/85/47/562738547.db2.gz	PWCALFKUVLRHKY-UHFFFAOYSA-N	2	2	611.728	4.089	1	10		KICFLP
C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C[NH+]1CCCCC1)c1ccccc1	ZINC000095586607	562774025	/nfs/dbraw/zinc/77/40/25/562774025.db2.gz	CYQPDNCODDAEJU-ACHDSSIZSA-N	2	2	501.671	4.431	1	10		KICFLP