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+]1CCN([C@H](c2ccc(OC)c(OC)c2OC)C2Sc3ncnn3C2=O)CC1	ZINC000218523696	557205486	/nfs/dbraw/zinc/20/54/86/557205486.db2.gz	WYRYBVOYFQEDCI-OAHLLOKOSA-N	1	2	433.534	2.249	50	70		IEIALO
COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000217577753	568883069	/nfs/dbraw/zinc/88/30/69/568883069.db2.gz	RCOXOIANDIFCLC-FUMNGEBKSA-N	1	2	436.439	2.447	50	70		IEIALO
COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@H](C(=O)c3ccc(F)cc3)[C@H]2C1=O	ZINC000217577753	568883071	/nfs/dbraw/zinc/88/30/71/568883071.db2.gz	RCOXOIANDIFCLC-FUMNGEBKSA-N	1	2	436.439	2.447	50	70		IEIALO
O=c1cc(CN2CCOCC2)oc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1O	ZINC000218307536	557191753	/nfs/dbraw/zinc/19/17/53/557191753.db2.gz	HUKQAOSOVYZYHT-QPJJXVBHSA-N	1	2	425.529	2.009	50	70		IEIALO
Cc1cc(N2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)[nH+]c2ccccc12	ZINC000217664729	569451155	/nfs/dbraw/zinc/45/11/55/569451155.db2.gz	FHNUZSVBVLPZSN-NRFANRHFSA-N	1	2	443.507	2.333	50	70	biogenic	IEIALO
COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)C2=O)cc1	ZINC000218521371	557205474	/nfs/dbraw/zinc/20/54/74/557205474.db2.gz	YYTSFLYMBRINAV-AZUAARDMSA-N	1	2	433.468	2.149	50	70		IEIALO
COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)C2=O)cc1	ZINC000218521449	557205460	/nfs/dbraw/zinc/20/54/60/557205460.db2.gz	YYTSFLYMBRINAV-ICSRJNTNSA-N	1	2	433.468	2.149	50	70		IEIALO
CC[NH+]1CCN([C@@H](c2ccc(OC)c(OC)c2OC)C2Sc3ncnn3C2=O)CC1	ZINC000218523769	557205892	/nfs/dbraw/zinc/20/58/92/557205892.db2.gz	WYRYBVOYFQEDCI-HNNXBMFYSA-N	1	2	433.534	2.249	50	70		IEIALO
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1	ZINC000218471738	569458203	/nfs/dbraw/zinc/45/82/03/569458203.db2.gz	XFRDJJZGDKPWCG-PABBZOGXSA-N	1	2	448.523	2.368	50	70		IEIALO