smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1	ZINC000216906926	536382219	/nfs/dbraw/zinc/38/22/19/536382219.db2.gz	IRYAKJJOLSLVBB-KRWDZBQOSA-N	1	0	340.492	4.259	40	70		EIIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1	ZINC000216909067	536362617	/nfs/dbraw/zinc/36/26/17/536362617.db2.gz	UMQRYCWZBFBHBG-CQSZACIVSA-N	1	0	344.842	4.413	40	70		EIIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)C1	ZINC000216909136	536362152	/nfs/dbraw/zinc/36/21/52/536362152.db2.gz	JMEOOUSHGXRTHB-OAHLLOKOSA-N	1	0	326.465	4.118	40	70		EIIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1	ZINC000216906895	536362037	/nfs/dbraw/zinc/36/20/37/536362037.db2.gz	IRYAKJJOLSLVBB-QGZVFWFLSA-N	1	0	340.492	4.259	40	70		EIIBRO
C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1	ZINC000216920629	536334232	/nfs/dbraw/zinc/33/42/32/536334232.db2.gz	IFEIBPDCJGCPAG-UHFFFAOYSA-N	1	0	344.842	4.413	40	70		EIIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1	ZINC000216909165	536382091	/nfs/dbraw/zinc/38/20/91/536382091.db2.gz	JMEOOUSHGXRTHB-HNNXBMFYSA-N	1	0	326.465	4.118	40	70		EIIBRO
C[NH+]1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1	ZINC000216920660	536334841	/nfs/dbraw/zinc/33/48/41/536334841.db2.gz	RFJONTLCGMMNFF-UHFFFAOYSA-N	1	0	326.465	4.118	40	70		EIIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1	ZINC000216909094	536382173	/nfs/dbraw/zinc/38/21/73/536382173.db2.gz	UMQRYCWZBFBHBG-AWEZNQCLSA-N	1	0	344.842	4.413	40	70		EIIBRO
C[NH+]1CCC(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1	ZINC000216897759	536336335	/nfs/dbraw/zinc/33/63/35/536336335.db2.gz	NSQSDUFPWUTTPQ-UHFFFAOYSA-N	1	0	335.662	4.317	40	70		EIIBRO