smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217916388	568919561	/nfs/dbraw/zinc/91/95/61/568919561.db2.gz	LRAADKDNNOIIOU-LADGPHEKSA-N	1	0	408.590	3.862	50	70	biogenic	HHIARO
COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl	ZINC000217856423	569039034	/nfs/dbraw/zinc/03/90/34/569039034.db2.gz	LNQHBBQGMXBOHP-MAUKXSAKSA-N	1	0	402.926	3.733	50	70	biogenic	HHIARO
CCCc1nc(C)sc1C(=O)NC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1	ZINC000218410423	568479956	/nfs/dbraw/zinc/47/99/56/568479956.db2.gz	CGZFJUAHVGENTQ-UHFFFAOYSA-N	1	0	417.575	3.816	50	70		HHIARO
Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1cc(F)ccc1Cl	ZINC000217775775	568911295	/nfs/dbraw/zinc/91/12/95/568911295.db2.gz	BSRKOWKXVWEBEG-HNAYVOBHSA-N	1	0	404.917	3.968	50	70	biogenic	HHIARO
Cc1cc(C)n(CC(=O)Nc2ccc(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2)n1	ZINC000218103550	568925729	/nfs/dbraw/zinc/92/57/29/568925729.db2.gz	OCTGRGFOWLDPNW-AZUAARDMSA-N	1	0	413.591	3.890	50	70	biogenic	HHIARO
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217937488	568920295	/nfs/dbraw/zinc/92/02/95/568920295.db2.gz	WPEUNQPOHNFYQG-FUHWJXTLSA-N	1	0	402.926	3.703	50	70	biogenic	HHIARO
COC(=O)C[C@H](c1ccnc2ccccc21)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217683498	568905724	/nfs/dbraw/zinc/90/57/24/568905724.db2.gz	ROTOAZPLGYQGEV-LJQANCHMSA-N	1	0	422.481	3.575	50	70	biogenic	HHIARO
C[NH+](C)CCCn1cnc2cc(NC(=O)c3cccc(Nc4ncccn4)c3)ccc21	ZINC000218358451	568479198	/nfs/dbraw/zinc/47/91/98/568479198.db2.gz	DQMAAAWFTDWSPY-UHFFFAOYSA-N	1	0	415.501	3.774	50	70		HHIARO
COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217685790	568905788	/nfs/dbraw/zinc/90/57/88/568905788.db2.gz	MNFYXACWMJUTLD-LJQANCHMSA-N	1	0	422.481	3.575	50	70	biogenic	HHIARO
COC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217683407	568905798	/nfs/dbraw/zinc/90/57/98/568905798.db2.gz	ROTOAZPLGYQGEV-IBGZPJMESA-N	1	0	422.481	3.575	50	70	biogenic	HHIARO
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217685845	568905802	/nfs/dbraw/zinc/90/58/02/568905802.db2.gz	MNFYXACWMJUTLD-IBGZPJMESA-N	1	0	422.481	3.575	50	70	biogenic	HHIARO