smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc(C(=O)N3CCC(N4CCC(Oc5nccs5)CC4)CC3)[nH]c2c1	ZINC000217593630	569449698	/nfs/dbraw/zinc/44/96/98/569449698.db2.gz	CRQCEMXJTFLTLX-UHFFFAOYSA-N	0	3	440.569	3.781	50	70		IHIAHN
O=c1c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)coc([O-])c1C[NH+]1CCCC1	ZINC000218217315	557182704	/nfs/dbraw/zinc/18/27/04/557182704.db2.gz	HRUFCKOFPPSRKN-UHFFFAOYSA-N	0	3	438.355	3.570	50	70		IHIAHN
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	ZINC000217592957	569449659	/nfs/dbraw/zinc/44/96/59/569449659.db2.gz	DACHHMFORLFKSE-UHFFFAOYSA-N	0	3	437.569	3.681	50	70		IHIAHN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NC2CCN(Cc3ccccc3)CC2)n1	ZINC000218184960	557181138	/nfs/dbraw/zinc/18/11/38/557181138.db2.gz	GCVJLBQRYYQZKY-VWLOTQADSA-N	0	3	443.595	3.897	50	70		IHIAHN
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591378	569449521	/nfs/dbraw/zinc/44/95/21/569449521.db2.gz	PWSAXHQPQYHNDP-UHFFFAOYSA-N	0	3	438.503	3.957	50	70		IHIAHN
O=S(=O)(c1ccccc1F)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591687	569449502	/nfs/dbraw/zinc/44/95/02/569449502.db2.gz	BZRZGDYHRBMZJS-UHFFFAOYSA-N	0	3	436.524	3.661	50	70		IHIAHN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NC2CCN(Cc3ccccc3)CC2)n1	ZINC000218184880	557180989	/nfs/dbraw/zinc/18/09/89/557180989.db2.gz	GCVJLBQRYYQZKY-RUZDIDTESA-N	0	3	443.595	3.897	50	70		IHIAHN
O=C(c1ccc(Br)o1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1	ZINC000217593195	569449642	/nfs/dbraw/zinc/44/96/42/569449642.db2.gz	UUQMUEASBRQWHN-UHFFFAOYSA-N	0	3	440.363	3.647	50	70		IHIAHN