smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCC(c5ccccc5)CC4)c3O)CC2)cc1	ZINC000101372778	569794678	/nfs/dbraw/zinc/79/46/78/569794678.db2.gz	BSELOBSGDVWNOO-UHFFFAOYSA-N	2	2	489.616	4.056	50	10		JICALP
CCOC(=O)c1c(C[NH+](C)C)n(-c2ccccc2)c2cc(Br)c(O)c(C[NH+](C)C)c21	ZINC000012413720	521406343	/nfs/dbraw/zinc/40/63/43/521406343.db2.gz	XONZZIUDFBGLIC-UHFFFAOYSA-N	2	2	474.399	4.399	50	10		JICALP
C[NH+](C)CCCNc1cc(N2CCN(c3cccc[nH+]3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000020322483	555770848	/nfs/dbraw/zinc/77/08/48/555770848.db2.gz	DKQPSLLARRMJEQ-UHFFFAOYSA-N	2	2	482.588	4.124	50	10		JICALP
COc1ccc(N2CCN(c3[nH+]ccc4ccc(C(=O)NCC[NH+]5CCCCCC5)cc43)CC2)cc1	ZINC000065002087	524439384	/nfs/dbraw/zinc/43/93/84/524439384.db2.gz	ODKAWQSFZYYJQR-UHFFFAOYSA-N	2	2	487.648	4.176	50	10		JICALP
C[NH+]1CCN(c2ccc(CNC(=O)Cn3ccc4c3cc[nH+]c4SCc3ccccc3)cc2)CC1	ZINC000033298623	523926211	/nfs/dbraw/zinc/92/62/11/523926211.db2.gz	LVSIXQUZPQMJAZ-UHFFFAOYSA-N	2	2	485.657	4.397	50	10		JICALP
COc1ccc(N2CCN(c3[nH+]ccc4ccc(C(=O)NCC[N@@H+]5CCCC[C@H]5C)cc43)CC2)cc1	ZINC000065002092	524439336	/nfs/dbraw/zinc/43/93/36/524439336.db2.gz	NUHZXHPBALISQF-JOCHJYFZSA-N	2	2	487.648	4.174	50	10		JICALP
COc1ccc(N2CCN(c3[nH+]ccc4ccc(C(=O)NCC[N@H+]5CCCC[C@H]5C)cc43)CC2)cc1	ZINC000065002092	524439338	/nfs/dbraw/zinc/43/93/38/524439338.db2.gz	NUHZXHPBALISQF-JOCHJYFZSA-N	2	2	487.648	4.174	50	10		JICALP
CCOC(=O)CCc1c(C)c2ccc(O)c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2oc1=O	ZINC000057151390	569594597	/nfs/dbraw/zinc/59/45/97/569594597.db2.gz	LVFLVYFQLLMHLS-UHFFFAOYSA-N	2	2	478.589	4.057	50	10		JICALP
COc1ccc(N2CCN(c3[nH+]ccc4ccc(C(=O)NCC[N@@H+]5CCCC[C@@H]5C)cc43)CC2)cc1	ZINC000065002095	524438395	/nfs/dbraw/zinc/43/83/95/524438395.db2.gz	NUHZXHPBALISQF-QFIPXVFZSA-N	2	2	487.648	4.174	50	10		JICALP
COc1ccc(N2CCN(c3[nH+]ccc4ccc(C(=O)NCC[N@H+]5CCCC[C@@H]5C)cc43)CC2)cc1	ZINC000065002095	524438405	/nfs/dbraw/zinc/43/84/05/524438405.db2.gz	NUHZXHPBALISQF-QFIPXVFZSA-N	2	2	487.648	4.174	50	10		JICALP
CCOC(=O)c1c(COc2cc[nH+]cc2)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21	ZINC000085393677	569710121	/nfs/dbraw/zinc/71/01/21/569710121.db2.gz	VWDOFUMTIDQHIG-UHFFFAOYSA-N	2	2	460.534	4.158	50	10		JICALP
CCOC(=O)CCc1c(C)c2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c(O)c(C)c2oc1=O	ZINC000013625185	555539050	/nfs/dbraw/zinc/53/90/50/555539050.db2.gz	DFUYAYXKGZKGCD-UHFFFAOYSA-N	2	2	492.616	4.365	50	10		JICALP