smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[N@H+](CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)c1[O-]	ZINC000020912446	525921902	/nfs/dbraw/zinc/92/19/02/525921902.db2.gz	QCKBVHRBPYWQCC-HXUWFJFHSA-N	0	3	429.580	3.816	10	10		IHCEHN
COc1cccc(C[N@@H+](CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)c1[O-]	ZINC000020912446	525921911	/nfs/dbraw/zinc/92/19/11/525921911.db2.gz	QCKBVHRBPYWQCC-HXUWFJFHSA-N	0	3	429.580	3.816	10	10		IHCEHN
COc1ccc(N2CCN([C@@H]3CCCN(Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877644	524431898	/nfs/dbraw/zinc/43/18/98/524431898.db2.gz	VIFAVEWTDZVVKY-JOCHJYFZSA-N	0	3	431.584	3.733	10	10		IHCEHN
CCN(CC)CCOc1ccc(OCCN(CC)CC)c2c1C(=O)c1ccccc1C2=O	ZINC000027523712	563042887	/nfs/dbraw/zinc/04/28/87/563042887.db2.gz	WNOAZUFOZKQFQU-UHFFFAOYSA-N	0	3	438.568	3.903	10	10		IHCEHN
CCN(CC)CCNc1cccc2c1C(=O)c1c(NCCN(CC)CC)cccc1C2=O	ZINC000027994631	563049044	/nfs/dbraw/zinc/04/90/44/563049044.db2.gz	XMGKUIJRUVUUOI-UHFFFAOYSA-N	0	3	436.600	3.969	10	10		IHCEHN
CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(Cc3ccccc3O)CC2)n1	ZINC000035925653	521541753	/nfs/dbraw/zinc/54/17/53/521541753.db2.gz	BZUWQQLRXYNSIM-UHFFFAOYSA-N	0	3	428.540	3.796	10	10		IHCEHN
CN(C)CCCCNc1ccc(NCCCCN(C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000031438826	563083293	/nfs/dbraw/zinc/08/32/93/563083293.db2.gz	VOMRWNYXCKZHQJ-UHFFFAOYSA-N	0	3	436.600	3.969	10	10		IHCEHN
COc1cccc(C[N@H+](CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)c1[O-]	ZINC000020912449	525919557	/nfs/dbraw/zinc/91/95/57/525919557.db2.gz	QCKBVHRBPYWQCC-FQEVSTJZSA-N	0	3	429.580	3.816	10	10		IHCEHN
COc1cccc(C[N@@H+](CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)c1[O-]	ZINC000020912449	525919566	/nfs/dbraw/zinc/91/95/66/525919566.db2.gz	QCKBVHRBPYWQCC-FQEVSTJZSA-N	0	3	429.580	3.816	10	10		IHCEHN
COc1ccc(N2CCN([C@H]3CCCN(Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877647	524434338	/nfs/dbraw/zinc/43/43/38/524434338.db2.gz	VIFAVEWTDZVVKY-QFIPXVFZSA-N	0	3	431.584	3.733	10	10		IHCEHN
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1C2=O	ZINC000027523218	563042898	/nfs/dbraw/zinc/04/28/98/563042898.db2.gz	NIZOWMDMNDXEEV-UHFFFAOYSA-N	0	3	438.568	3.903	10	10		IHCEHN