smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1C1CCCCC1	ZINC000034053561	202272407	/nfs/dbraw/zinc/27/24/07/202272407.db2.gz	AYEWGKWGWGVEHB-INIZCTEOSA-N	0	2	333.815	4.037	10	30		EIEELN
C=CC(C)(C)c1c(O)cc(=O)c2c(O)c(O)c(-c3ccccc3)oc1-2	ZINC000005950748	201057068	/nfs/dbraw/zinc/05/70/68/201057068.db2.gz	VEXSVXVQCSMKRX-UHFFFAOYSA-N	0	2	338.359	4.040	10	30	in-vitro	EIEELN
C=CC(C)(C)c1c(O)cc(O)c2c1oc(-c1ccccc1)c(O)c2=O	ZINC000005950748	201057073	/nfs/dbraw/zinc/05/70/73/201057073.db2.gz	VEXSVXVQCSMKRX-UHFFFAOYSA-N	0	2	338.359	4.040	10	30	in-vitro	EIEELN
CCOc1ccc(C=[NH+]Nc2nnc(SC3CCCCC3)[n-]2)cc1	ZINC000020176183	520855300	/nfs/dbraw/zinc/85/53/00/520855300.db2.gz	PYTNQBNEAYIVNL-LDADJPATSA-N	0	2	345.472	4.074	10	30		EIEELN
O=[N+]([O-])c1ccc(/N=C\c2cc(Cl)cc(Cl)c2O)c(O)c1	ZINC000100456095	219099771	/nfs/dbraw/zinc/09/97/71/219099771.db2.gz	DCRFKAVJGOOGDF-SOFYXZRVSA-N	0	2	327.123	4.063	10	30		EIEELN
Cc1cc(O)c(C(=O)/C=C\c2ccc(-c3ccccc3)cc2)c(=O)o1	ZINC000096854263	218894424	/nfs/dbraw/zinc/89/44/24/218894424.db2.gz	BVAZKAKOPLLMDY-XFXZXTDPSA-N	0	2	332.355	4.217	10	30		EIEELN
O=C1Oc2ccccc2C(=O)C1=CNc1ccc(Cl)c(Cl)c1	ZINC000100391850	219098412	/nfs/dbraw/zinc/09/84/12/219098412.db2.gz	ZGYFEBKGLAJZBN-DHZHZOJOSA-N	0	2	334.158	4.091	10	30		EIEELN
Oc1cc(F)c(-c2c(F)c(F)c(OF)c(F)c2F)c(F)c1F	ZINC000100012415	219088211	/nfs/dbraw/zinc/08/82/11/219088211.db2.gz	FEAAGZHXPLNUCS-UHFFFAOYSA-N	0	2	330.130	4.296	10	30		EIEELN
CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1C1CCCCC1	ZINC000003952080	210093678	/nfs/dbraw/zinc/09/36/78/210093678.db2.gz	AUWLMSMNUGBJKE-MRXNPFEDSA-N	0	2	333.815	4.037	10	30		EIEELN
O=[N+]([O-])c1cccc(C=NN=C2c3ccccc3-c3ccccc32)c1O	ZINC000252596992	564121105	/nfs/dbraw/zinc/12/11/05/564121105.db2.gz	CNEZTGQSLMTCBY-UHFFFAOYSA-N	0	2	343.342	4.152	10	30	aggregator	EIEELN
CSC(=NC(C)(C)C)NN=Cc1cc(Cl)cc(Cl)c1O	ZINC000000076091	564076758	/nfs/dbraw/zinc/07/67/58/564076758.db2.gz	LXZDTBRPSYAANG-UHFFFAOYSA-N	0	2	334.272	4.140	10	30		EIEELN