smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(C#Cc2cccc(-c3nc(=O)o[nH]3)c2)cc1	ZINC000040877350	183145133	/nfs/dbraw/zinc/14/51/33/183145133.db2.gz	AADHLRRKRYIBSN-UHFFFAOYSA-N	0	2	318.376	3.727	1	30		DHEFLN
Cc1cc(O)c(C(=O)/C=C/c2ccccc2C(F)(F)F)c(=O)o1	ZINC000006542682	181352442	/nfs/dbraw/zinc/35/24/42/181352442.db2.gz	RENSLTZZSIONTO-VOTSOKGWSA-N	0	2	324.254	3.569	1	30		DHEFLN
O=C1C2=C(O[C@@H](c3ccc(Cl)cc3)C2)c2ccccc2C1=O	ZINC000169328859	197742585	/nfs/dbraw/zinc/74/25/85/197742585.db2.gz	SKZNJCWUKIHXMD-OAHLLOKOSA-N	0	2	310.736	3.978	1	30		DHEFLN
CC(C)(C)c1ccc(C#Cc2ccc(-c3nc(=O)o[nH]3)cc2)cc1	ZINC000040849049	183140953	/nfs/dbraw/zinc/14/09/53/183140953.db2.gz	GPGOTYXSTNCOBN-UHFFFAOYSA-N	0	2	318.376	3.727	1	30		DHEFLN
C=CC(C)(C)c1c(O)cc(O)c2c1oc1c(O)cccc1c2=O	ZINC000015121050	518682238	/nfs/dbraw/zinc/68/22/38/518682238.db2.gz	PNPYKPQUXNWIPR-UHFFFAOYSA-N	0	2	312.321	3.527	1	30		DHEFLN
C=CC(C)(C)c1c2oc3c(O)cccc3c(O)c-2c(O)cc1=O	ZINC000015121050	518682248	/nfs/dbraw/zinc/68/22/48/518682248.db2.gz	PNPYKPQUXNWIPR-UHFFFAOYSA-N	0	2	312.321	3.527	1	30		DHEFLN
N#CC1C(=O)[C@H](c2nc3ccccc3[nH]2)S[C@H]1c1ccccc1	ZINC000005544341	181255465	/nfs/dbraw/zinc/25/54/65/181255465.db2.gz	ZZSIAPFVWAHSQZ-AFAVFJNCSA-N	0	2	319.389	3.801	1	30		DHEFLN
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc2ccccc2c1O	ZINC000073387240	191310945	/nfs/dbraw/zinc/31/09/45/191310945.db2.gz	WVKAETXYCRETHP-WEVVVXLNSA-N	0	2	306.317	3.853	1	30		DHEFLN
O=C(/C=C/c1ccc(O)cc1)c1cc(Br)ccc1O	ZINC000005569198	181258710	/nfs/dbraw/zinc/25/87/10/181258710.db2.gz	DVTVMWPNOWLUHU-XVNBXDOJSA-N	0	2	319.154	3.756	1	30		DHEFLN
N#CC1C(=O)[C@@H](c2nc3ccccc3[nH]2)S[C@H]1c1ccccc1	ZINC000005544343	181255529	/nfs/dbraw/zinc/25/55/29/181255529.db2.gz	ZZSIAPFVWAHSQZ-ZLIFDBKOSA-N	0	2	319.389	3.801	1	30		DHEFLN
CCO[C@]12CCCC1C1=C(O)c3ccccc3C(=O)C1=C(C)O2	ZINC000006411122	181338854	/nfs/dbraw/zinc/33/88/54/181338854.db2.gz	FYMFFKXIHWNLIT-QOKNQOGYSA-N	0	2	312.365	3.519	1	30		DHEFLN