smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](Cc1c(O)ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730391	571258545	/nfs/dbraw/zinc/25/85/45/571258545.db2.gz	HNEVCERPQUACIP-FUHWJXTLSA-N	2	2	356.466	3.195	50	10		FGCALP
C[N@H+](Cc1c(O)ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730391	571258546	/nfs/dbraw/zinc/25/85/46/571258546.db2.gz	HNEVCERPQUACIP-FUHWJXTLSA-N	2	2	356.466	3.195	50	10		FGCALP
C[NH+](Cc1c(O)ccc2ccc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524730391	571258547	/nfs/dbraw/zinc/25/85/47/571258547.db2.gz	HNEVCERPQUACIP-FUHWJXTLSA-N	2	2	356.466	3.195	50	10		FGCALP
C[NH+](Cc1c(O)ccc2ccc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524730391	571258548	/nfs/dbraw/zinc/25/85/48/571258548.db2.gz	HNEVCERPQUACIP-FUHWJXTLSA-N	2	2	356.466	3.195	50	10		FGCALP
CCCc1cc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc(C)[nH+]1	ZINC000065393685	494192254	/nfs/dbraw/zinc/19/22/54/494192254.db2.gz	JZKRHPIMLLVLJN-UHFFFAOYSA-N	2	2	360.889	3.419	50	10		FGCALP
COc1ccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000000757042	536692103	/nfs/dbraw/zinc/69/21/03/536692103.db2.gz	FSXZENNDQWXEEB-UHFFFAOYSA-N	2	2	365.521	3.482	50	10		FGCALP
Oc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2cc[nH+]c2)cc1	ZINC000072433754	494174170	/nfs/dbraw/zinc/17/41/70/494174170.db2.gz	OTYXHESDYNMRDP-QFIPXVFZSA-N	2	2	371.444	3.449	50	10		FGCALP
Oc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2cc[nH+]c2)cc1	ZINC000072433754	494174173	/nfs/dbraw/zinc/17/41/73/494174173.db2.gz	OTYXHESDYNMRDP-QFIPXVFZSA-N	2	2	371.444	3.449	50	10		FGCALP
CC1(C)CC([NH2+]Cc2c(O)ccc3c4c(c(=O)oc32)CCC4)CC(C)(C)[NH2+]1	ZINC000006719920	204262859	/nfs/dbraw/zinc/26/28/59/204262859.db2.gz	QEARCFHSNVGYBX-UHFFFAOYSA-N	2	2	370.493	3.386	50	10		FGCALP
CCc1cc(=O)oc2c1ccc(O)c2C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000008913960	207251593	/nfs/dbraw/zinc/25/15/93/207251593.db2.gz	ZWRYOSHQTFSMIN-UHFFFAOYSA-N	2	2	358.482	3.460	50	10		FGCALP
Oc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-n2cc[nH+]c2)cc1	ZINC000072433755	494173467	/nfs/dbraw/zinc/17/34/67/494173467.db2.gz	OTYXHESDYNMRDP-JOCHJYFZSA-N	2	2	371.444	3.449	50	10		FGCALP
Oc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-n2cc[nH+]c2)cc1	ZINC000072433755	494173474	/nfs/dbraw/zinc/17/34/74/494173474.db2.gz	OTYXHESDYNMRDP-JOCHJYFZSA-N	2	2	371.444	3.449	50	10		FGCALP