smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@H+](C)CCNC(=O)c1cnn2c1[nH]c(C)c(Cc1ccccc1F)c2=O	ZINC000020136928	568589904	/nfs/dbraw/zinc/58/99/04/568589904.db2.gz	BVFVJMYLMDRHEZ-UHFFFAOYSA-N	1	0	413.497	2.935	10	10		HFCERO
COCCN1CCC[C@]2(CC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436059	132359973	/nfs/dbraw/zinc/35/99/73/132359973.db2.gz	OFKQSYHYACMMLH-QHCPKHFHSA-N	1	0	401.551	2.818	10	10		HFCERO
CNC(=O)c1ccc2c(c1)CCO[C@@H]2CC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000013779786	560220429	/nfs/dbraw/zinc/22/04/29/560220429.db2.gz	UDLSEQDYARNKTL-HSZRJFAPSA-N	1	0	409.530	2.881	10	10	in-vitro	HFCERO
CN(C)c1ccc(C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(C(C)(C)C)n2)cc1	ZINC000005398596	291220176	/nfs/dbraw/zinc/22/01/76/291220176.db2.gz	HDWXISQPOSGONX-FMWKFLBASA-N	1	0	411.550	2.577	10	10	biogenic	HFCERO
COCCN1CCC[C@@]2(CC[N@@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	ZINC000012436057	132359934	/nfs/dbraw/zinc/35/99/34/132359934.db2.gz	OFKQSYHYACMMLH-HSZRJFAPSA-N	1	0	401.551	2.818	10	10		HFCERO
CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC000072132909	520226350	/nfs/dbraw/zinc/22/63/50/520226350.db2.gz	RFEGOXODTDVYJX-YJJPMGAVSA-N	1	0	415.534	2.573	10	10		HFCERO
CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCCN3CCCC3=O)C2)cc1	ZINC000014993272	558695313	/nfs/dbraw/zinc/69/53/13/558695313.db2.gz	QIBRZKNFSIVRBN-IRLDBZIGSA-N	1	0	412.578	2.578	10	10		HFCERO