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)c1cc(Br)c(O)c(C[NH2+]CCCc2ccccc2)c1	ZINC000230471897	581091075	/nfs/dbraw/zinc/09/10/75/581091075.db2.gz	LIVFSGNFBWATFT-UHFFFAOYSA-N	1	1	376.338	5.175	1	10	in-vitro	GKCFMO
CCCCCC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)[NH2+]1	ZINC000002934938	209398881	/nfs/dbraw/zinc/39/88/81/209398881.db2.gz	CJMXYIBMAQBFBJ-RDPSFJRHSA-N	1	1	394.515	5.083	1	10		GKCFMO
Oc1ccc2[nH]c(-c3ccccc3)nc2c1C[NH+]1CCC(c2ccccc2)CC1	ZINC000084604786	208093694	/nfs/dbraw/zinc/09/36/94/208093694.db2.gz	ZHBCHBKBPABMRQ-UHFFFAOYSA-N	1	1	383.495	5.315	1	10		GKCFMO
CC(C)[N+]([O-])(CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21)C(C)C	ZINC000005733644	717101277	/nfs/dbraw/zinc/10/12/77/717101277.db2.gz	QLOKYBMKHDOMID-UHFFFAOYSA-N	1	1	396.491	5.230	1	10		GKCFMO
Cc1cc[nH+]c(N[C@H](c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2O)c1	ZINC000096285976	211331294	/nfs/dbraw/zinc/33/12/94/211331294.db2.gz	FRRVRVNGAKHMGO-HXUWFJFHSA-N	1	1	393.849	5.638	1	10		GKCFMO
Oc1cc2c(c(Cl)c1O)CC[N@@H+](Cc1cccs1)C[C@@H]2c1ccccc1	ZINC000027182809	207324507	/nfs/dbraw/zinc/32/45/07/207324507.db2.gz	ORXQGFLOEUYCGK-GOSISDBHSA-N	1	1	385.916	5.003	1	10		GKCFMO
Cc1cc[nH+]c(N[C@@H](c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2O)c1	ZINC000096285975	208302563	/nfs/dbraw/zinc/30/25/63/208302563.db2.gz	FRRVRVNGAKHMGO-FQEVSTJZSA-N	1	1	393.849	5.638	1	10		GKCFMO
C[N@@H+]1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000072106489	222205972	/nfs/dbraw/zinc/20/59/72/222205972.db2.gz	KQUKOXMDOZGIMI-LJQANCHMSA-N	1	1	375.493	5.001	1	10		GKCFMO
C[N@H+]1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000072106489	222205977	/nfs/dbraw/zinc/20/59/77/222205977.db2.gz	KQUKOXMDOZGIMI-LJQANCHMSA-N	1	1	375.493	5.001	1	10		GKCFMO