smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1	ZINC000004375805	207016533	/nfs/dbraw/zinc/01/65/33/207016533.db2.gz	BIMIEBMZQZLFKK-RBMKEPMWSA-N	0	3	350.506	5.831	10	30		FKEEHN
CCc1c(C)sc2c1CCN(Cc1ccc(C#N)cc1)[C@@H]2c1ccccc1	ZINC000021337825	211313684	/nfs/dbraw/zinc/31/36/84/211313684.db2.gz	FHZDYXVFJXNJBG-HSZRJFAPSA-N	0	3	372.537	5.638	10	30		FKEEHN
CCc1c(C)sc2c1CCN(Cc1ccc(C#N)cc1)[C@H]2c1ccccc1	ZINC000021337827	220357097	/nfs/dbraw/zinc/35/70/97/220357097.db2.gz	FHZDYXVFJXNJBG-QHCPKHFHSA-N	0	3	372.537	5.638	10	30		FKEEHN
Cc1cccc(C(=O)/C=C\C2=C(N3CCCCCC3)Cc3ccccc32)c1	ZINC000033374208	208088458	/nfs/dbraw/zinc/08/84/58/208088458.db2.gz	ZCAQEGDWUKAAOA-YPKPFQOOSA-N	0	3	357.497	5.577	10	30		FKEEHN
Cc1ccc(C(=O)/C=C\C2=C(N3CCCCCC3)Cc3ccccc32)cc1	ZINC000033376572	208088012	/nfs/dbraw/zinc/08/80/12/208088012.db2.gz	XAZPKFATMYNVAR-PFONDFGASA-N	0	3	357.497	5.577	10	30		FKEEHN
C=CCC(O)(CC=C)c1ccc(CN(CCC)Cc2ccc(C)s2)o1	ZINC000036154604	210169599	/nfs/dbraw/zinc/16/95/99/210169599.db2.gz	RTNWUVNDKVNPCD-UHFFFAOYSA-N	0	3	359.535	5.402	10	30		FKEEHN
CCCCCCCC/C=C/CCCCCCCC[NH2+]Cc1ccccc1[O-]	ZINC000059717323	205281674	/nfs/dbraw/zinc/28/16/74/205281674.db2.gz	TUUBSRLXQKBHEW-MDZDMXLPSA-N	0	3	373.625	7.519	10	30		FKEEHN
CCCCCCCCCCC[C@@H]1CC(=O)C(CCCCCC)C(=O)O1	ZINC000097978723	209200582	/nfs/dbraw/zinc/20/05/82/209200582.db2.gz	TYBPYMSSRRRYRQ-UXHICEINSA-N	0	3	352.559	6.379	10	30		FKEEHN
CCCCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000100398602	209213873	/nfs/dbraw/zinc/21/38/73/209213873.db2.gz	BIMIEBMZQZLFKK-PILQTQQDSA-N	0	3	350.506	5.831	10	30		FKEEHN
C=C(Br)COc1c(Cl)cc(Cl)cc1CNCC(C)C	ZINC000103978227	206236706	/nfs/dbraw/zinc/23/67/06/206236706.db2.gz	LBSMZHVXIUYJJD-UHFFFAOYSA-N	0	3	367.114	5.026	10	30		FKEEHN
CCCCC[C@H]1/C(=N\O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1	ZINC000105211371	222366460	/nfs/dbraw/zinc/36/64/60/222366460.db2.gz	BIMIEBMZQZLFKK-XRJSOMBGSA-N	0	3	350.506	5.831	10	30		FKEEHN