smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)C[C@@H](O)CNc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000005848410	204154150	/nfs/dbraw/zinc/15/41/50/204154150.db2.gz	UDDPPYHULIXFDV-HNNXBMFYSA-N	1	3	387.911	4.165	50	10	in-vitro	GICAHO
COc1ccc(-n2c(C)cc(CNCc3ccc(C[NH+](C)C)cc3)c2C)cc1	ZINC000007736241	204248817	/nfs/dbraw/zinc/24/88/17/204248817.db2.gz	AJJRHQGMKZXYKY-UHFFFAOYSA-N	1	3	377.532	4.454	50	10		GICAHO
CC[NH+](CC)C[C@H](O)CNc1c2ccc(Cl)cc2nc2ccc(OC)cc21	ZINC000004416974	560198367	/nfs/dbraw/zinc/19/83/67/560198367.db2.gz	UDDPPYHULIXFDV-OAHLLOKOSA-N	1	3	387.911	4.165	50	10	in-vitro	GICAHO
CC[N@@H+](Cc1c([O-])cccc1OC)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000039393501	570590895	/nfs/dbraw/zinc/59/08/95/570590895.db2.gz	BNGFVOISQWDVFW-UHFFFAOYSA-N	1	3	396.575	4.486	50	10		GICAHO
CC[N@H+](Cc1c([O-])cccc1OC)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000039393501	570590897	/nfs/dbraw/zinc/59/08/97/570590897.db2.gz	BNGFVOISQWDVFW-UHFFFAOYSA-N	1	3	396.575	4.486	50	10		GICAHO
CC[N@@H+](Cc1cc(OC)ccc1[O-])CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012576530	570875187	/nfs/dbraw/zinc/87/51/87/570875187.db2.gz	BOMCOIOSNKPSSY-UHFFFAOYSA-N	1	3	396.575	4.486	50	10		GICAHO
CC[N@H+](Cc1cc(OC)ccc1[O-])CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012576530	570875190	/nfs/dbraw/zinc/87/51/90/570875190.db2.gz	BOMCOIOSNKPSSY-UHFFFAOYSA-N	1	3	396.575	4.486	50	10		GICAHO
[O-]c1ccccc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012308300	221179457	/nfs/dbraw/zinc/17/94/57/221179457.db2.gz	KHIQJXOQEZHDAZ-UHFFFAOYSA-N	1	3	379.548	4.444	50	10		GICAHO
[O-]c1ccccc1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012308300	221179458	/nfs/dbraw/zinc/17/94/58/221179458.db2.gz	KHIQJXOQEZHDAZ-UHFFFAOYSA-N	1	3	379.548	4.444	50	10		GICAHO