smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N[C@@H](c2cccnc2)c2cc(Cl)c3cccnc3c2[O-])nc1	ZINC000045944555	209194341	/nfs/dbraw/zinc/19/43/41/209194341.db2.gz	YFRCBICCPRGOPZ-IBGZPJMESA-N	-1	3	376.847	4.894	10	10		GJCEHM
Cc1ccnc(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000045944566	209196324	/nfs/dbraw/zinc/19/63/24/209196324.db2.gz	OKFNGUUHEGVVEI-IBGZPJMESA-N	-1	3	376.847	4.894	10	10		GJCEHM
CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000034683552	570301420	/nfs/dbraw/zinc/30/14/20/570301420.db2.gz	WGGUPIWJMJYCRO-UHFFFAOYSA-N	-1	3	390.886	4.592	10	10		GJCEHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000005775207	204151201	/nfs/dbraw/zinc/15/12/01/204151201.db2.gz	BYRVUOYADMXKLE-QHCPKHFHSA-N	-1	3	398.418	4.973	10	10		GJCEHM
Cc1ccc2ccc([C@@H](Nc3cccc([N+](=O)[O-])c3)c3ccccn3)c([O-])c2n1	ZINC000054618904	212059732	/nfs/dbraw/zinc/05/97/32/212059732.db2.gz	SANZQEOHZCGXON-OAQYLSRUSA-N	-1	3	386.411	4.754	10	10		GJCEHM
Cc1ccc2ccc([C@H](Nc3cccc([N+](=O)[O-])c3)c3ccccn3)c([O-])c2n1	ZINC000054618900	212059249	/nfs/dbraw/zinc/05/92/49/212059249.db2.gz	SANZQEOHZCGXON-NRFANRHFSA-N	-1	3	386.411	4.754	10	10		GJCEHM
Cc1ccnc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000005659860	570450398	/nfs/dbraw/zinc/45/03/98/570450398.db2.gz	YPTYIEZTGVNUFI-JOCHJYFZSA-N	-1	3	399.450	4.882	10	10		GJCEHM
Cc1ccnc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000005659857	204144612	/nfs/dbraw/zinc/14/46/12/204144612.db2.gz	YPTYIEZTGVNUFI-QFIPXVFZSA-N	-1	3	399.450	4.882	10	10		GJCEHM
Cc1ccc(N[C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2[O-])nc1	ZINC000045944539	212119099	/nfs/dbraw/zinc/11/90/99/212119099.db2.gz	BHMOEKIHHLHRPS-LJQANCHMSA-N	-1	3	376.847	4.894	10	10		GJCEHM
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000013914976	207003959	/nfs/dbraw/zinc/00/39/59/207003959.db2.gz	IUSOXSLCQBAAGB-NVNXTCNLSA-N	-1	3	391.254	4.904	10	10		GJCEHM
Cc1nonc1CN(C)Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1[O-]	ZINC000014992532	221324627	/nfs/dbraw/zinc/32/46/27/221324627.db2.gz	XYPIQMDUXKJVCK-UHFFFAOYSA-N	-1	3	394.862	4.584	10	10		GJCEHM
Cc1ccc(N[C@H](c2cccnc2)c2cc(Cl)c3cccnc3c2[O-])nc1	ZINC000045944558	212118406	/nfs/dbraw/zinc/11/84/06/212118406.db2.gz	YFRCBICCPRGOPZ-LJQANCHMSA-N	-1	3	376.847	4.894	10	10		GJCEHM
Cc1ccnc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000045944569	212119595	/nfs/dbraw/zinc/11/95/95/212119595.db2.gz	OKFNGUUHEGVVEI-LJQANCHMSA-N	-1	3	376.847	4.894	10	10		GJCEHM
Cc1ccc(N[C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2[O-])nc1	ZINC000045944542	206264107	/nfs/dbraw/zinc/26/41/07/206264107.db2.gz	BHMOEKIHHLHRPS-IBGZPJMESA-N	-1	3	376.847	4.894	10	10		GJCEHM