smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000055198807	205145116	/nfs/dbraw/zinc/14/51/16/205145116.db2.gz	JDDWQQMMYFXZHN-QHCPKHFHSA-N	0	3	384.495	4.028	1	10		GICFHN
COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000055198807	205145119	/nfs/dbraw/zinc/14/51/19/205145119.db2.gz	JDDWQQMMYFXZHN-QHCPKHFHSA-N	0	3	384.495	4.028	1	10		GICFHN
O=C(N[C@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1)c1ccc(Cl)c(Cl)c1	ZINC000045228891	205093595	/nfs/dbraw/zinc/09/35/95/205093595.db2.gz	QZZFLIHUQDLOIR-INIZCTEOSA-N	0	3	393.314	4.484	1	10		GICFHN
O=C(N[C@H]1CCCC[N@H+](Cc2ccccc2[O-])C1)c1ccc(Cl)c(Cl)c1	ZINC000045228891	205093599	/nfs/dbraw/zinc/09/35/99/205093599.db2.gz	QZZFLIHUQDLOIR-INIZCTEOSA-N	0	3	393.314	4.484	1	10		GICFHN
[O-]c1ccccc1C[NH2+]C[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000045187207	205092027	/nfs/dbraw/zinc/09/20/27/205092027.db2.gz	CGQJRJPTOKWVIG-OAHLLOKOSA-N	0	3	379.300	4.253	1	10		GICFHN
Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)CCN(C)C)ccc3c2)cc1	ZINC000013671942	221280332	/nfs/dbraw/zinc/28/03/32/221280332.db2.gz	GEGLJDPEPGLWCZ-NTEUORMPSA-N	0	3	388.515	4.193	1	10		GICFHN
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1N	ZINC000005138691	204113687	/nfs/dbraw/zinc/11/36/87/204113687.db2.gz	RQPPMOXSZXIXKM-UHFFFAOYSA-N	0	3	378.457	4.085	1	10		GICFHN
[O-]c1ccccc1C[NH+]1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1	ZINC000095596054	136182470	/nfs/dbraw/zinc/18/24/70/136182470.db2.gz	VVGLTCJXKALBSL-UHFFFAOYSA-N	0	3	396.494	4.325	1	10		GICFHN
NC(=O)N1CCN(c2ccc(Nc3c4ccccc4nc4ccccc43)cc2)CC1	ZINC000026844380	207318664	/nfs/dbraw/zinc/31/86/64/207318664.db2.gz	LLDFHFQSCAKLEJ-UHFFFAOYSA-N	0	3	397.482	4.332	1	10		GICFHN
CCC[N@H+](CCc1ccc(O)cc1)[C@@H]1CCc2cc(O)c([O-])c(Cl)c2C1	ZINC000029347541	207361463	/nfs/dbraw/zinc/36/14/63/207361463.db2.gz	ARGKWWCVRZVNHO-MRXNPFEDSA-N	0	3	375.896	4.269	1	10		GICFHN
CCC[N@@H+](CCc1ccc(O)cc1)[C@@H]1CCc2cc(O)c([O-])c(Cl)c2C1	ZINC000029347541	207361466	/nfs/dbraw/zinc/36/14/66/207361466.db2.gz	ARGKWWCVRZVNHO-MRXNPFEDSA-N	0	3	375.896	4.269	1	10		GICFHN
CCC[N@H+](CCc1ccc(O)cc1)[C@H]1CCc2cc(O)c([O-])c(Cl)c2C1	ZINC000029347545	207361366	/nfs/dbraw/zinc/36/13/66/207361366.db2.gz	ARGKWWCVRZVNHO-INIZCTEOSA-N	0	3	375.896	4.269	1	10		GICFHN
CCC[N@@H+](CCc1ccc(O)cc1)[C@H]1CCc2cc(O)c([O-])c(Cl)c2C1	ZINC000029347545	207361371	/nfs/dbraw/zinc/36/13/71/207361371.db2.gz	ARGKWWCVRZVNHO-INIZCTEOSA-N	0	3	375.896	4.269	1	10		GICFHN
COc1ccc([C@H](c2c([O-])ccc3ccccc32)[NH+]2CCC(O)CC2)cc1OC	ZINC000072178821	222217352	/nfs/dbraw/zinc/21/73/52/222217352.db2.gz	DMAKOHLBOCXMCN-XMMPIXPASA-N	0	3	393.483	4.109	1	10		GICFHN
CC(=O)OC1CC[NH+]([C@@H](c2ccccn2)c2c([O-])ccc3ccccc32)CC1	ZINC000072181115	222216971	/nfs/dbraw/zinc/21/69/71/222216971.db2.gz	BLQKRSAKNXRTJD-QHCPKHFHSA-N	0	3	376.456	4.057	1	10		GICFHN
CC(=O)OC1CC[NH+]([C@H](c2ccccn2)c2c([O-])ccc3ccccc32)CC1	ZINC000072181116	222217401	/nfs/dbraw/zinc/21/74/01/222217401.db2.gz	BLQKRSAKNXRTJD-HSZRJFAPSA-N	0	3	376.456	4.057	1	10		GICFHN
O=C1Nc2ccc(N3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21	ZINC000082158225	136174306	/nfs/dbraw/zinc/17/43/06/136174306.db2.gz	FUZHDIGYHQYSHU-UHFFFAOYSA-N	0	3	393.874	4.166	1	10		GICFHN
COc1ccc([C@@H](c2c([O-])ccc3ccccc32)[NH+]2CCC(O)CC2)cc1OC	ZINC000072178820	222216877	/nfs/dbraw/zinc/21/68/77/222216877.db2.gz	DMAKOHLBOCXMCN-DEOSSOPVSA-N	0	3	393.483	4.109	1	10		GICFHN
CC(=O)OC1CC[NH+]([C@H](c2ccncc2)c2c([O-])ccc3ccccc32)CC1	ZINC000072181114	222217438	/nfs/dbraw/zinc/21/74/38/222217438.db2.gz	IUNJNJLAQZONJW-HSZRJFAPSA-N	0	3	376.456	4.057	1	10		GICFHN