smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2ccc(C(=O)N3CCC([N@@H+]4CCC[C@H]4COCc4ccccc4)CC3)cc2s1	ZINC000217598980	569449734	/nfs/dbraw/zinc/44/97/34/569449734.db2.gz	IWDUYDPFIAKQKO-QHCPKHFHSA-N	1	0	449.620	4.891	50	70		IJIARO
O=C(Nc1nc(-c2ccccn2)cs1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1	ZINC000218288860	557188478	/nfs/dbraw/zinc/18/84/78/557188478.db2.gz	WAUHLVIIEMNNGV-UHFFFAOYSA-N	1	0	426.545	4.865	50	70		IJIARO
Cc1ccc(CCC(=O)N2CCC([N@@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1C	ZINC000217598378	569449800	/nfs/dbraw/zinc/44/98/00/569449800.db2.gz	OTVATHQPZDBSTP-MHZLTWQESA-N	1	0	434.624	4.908	50	70		IJIARO
O=C(CSCc1ccccc1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217597378	569449712	/nfs/dbraw/zinc/44/97/12/569449712.db2.gz	HPAMKIYFWVIYIC-RUZDIDTESA-N	1	0	438.637	4.592	50	70		IJIARO
Cc1ccc(CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1C	ZINC000217598280	569449795	/nfs/dbraw/zinc/44/97/95/569449795.db2.gz	OTVATHQPZDBSTP-HHHXNRCGSA-N	1	0	434.624	4.908	50	70		IJIARO
O=C(CSCc1ccccc1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217597314	569449647	/nfs/dbraw/zinc/44/96/47/569449647.db2.gz	HPAMKIYFWVIYIC-VWLOTQADSA-N	1	0	438.637	4.592	50	70		IJIARO
O=C(Cc1ccccc1Cl)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217597117	569449667	/nfs/dbraw/zinc/44/96/67/569449667.db2.gz	HLWKFYKAQWWPEY-QHCPKHFHSA-N	1	0	426.988	4.555	50	70		IJIARO
O=C(CCc1cccc(Cl)c1)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217598070	569449776	/nfs/dbraw/zinc/44/97/76/569449776.db2.gz	VFGARDOAMYBHGN-VWLOTQADSA-N	1	0	441.015	4.945	50	70		IJIARO
O=C(Nc1nc(-c2cccnc2)cs1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1	ZINC000218307909	557191669	/nfs/dbraw/zinc/19/16/69/557191669.db2.gz	VKGXZLFYGOZXDQ-UHFFFAOYSA-N	1	0	426.545	4.865	50	70		IJIARO
O=C(Cc1ccccc1Cl)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217597206	568901486	/nfs/dbraw/zinc/90/14/86/568901486.db2.gz	HLWKFYKAQWWPEY-HSZRJFAPSA-N	1	0	426.988	4.555	50	70		IJIARO
O=C(CCCC(=O)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1)c1ccccc1	ZINC000217597969	569449748	/nfs/dbraw/zinc/44/97/48/569449748.db2.gz	ZVVMHVSSDLDMSP-AREMUKBSSA-N	1	0	448.607	4.712	50	70		IJIARO
Cc1nc2ccc(C(=O)N3CCC([N@@H+]4CCC[C@@H]4COCc4ccccc4)CC3)cc2s1	ZINC000217598883	569449768	/nfs/dbraw/zinc/44/97/68/569449768.db2.gz	IWDUYDPFIAKQKO-HSZRJFAPSA-N	1	0	449.620	4.891	50	70		IJIARO
Cn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000218087468	569456232	/nfs/dbraw/zinc/45/62/32/569456232.db2.gz	BBBCUVRVWQGBDA-UNVADFLRSA-N	1	0	431.624	4.923	50	70	biogenic	IJIARO
O=C(CSCc1ccccc1)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1	ZINC000217591275	569449513	/nfs/dbraw/zinc/44/95/13/569449513.db2.gz	XOVHXONVIXVGKU-UHFFFAOYSA-N	1	0	442.600	4.593	50	70		IJIARO
O=C(CCCC(=O)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1)c1ccccc1	ZINC000217597894	569449729	/nfs/dbraw/zinc/44/97/29/569449729.db2.gz	ZVVMHVSSDLDMSP-SANMLTNESA-N	1	0	448.607	4.712	50	70		IJIARO
O=C(CCc1cccc(Cl)c1)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217598157	569449780	/nfs/dbraw/zinc/44/97/80/569449780.db2.gz	VFGARDOAMYBHGN-RUZDIDTESA-N	1	0	441.015	4.945	50	70		IJIARO
Cn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000218087382	569456225	/nfs/dbraw/zinc/45/62/25/569456225.db2.gz	BBBCUVRVWQGBDA-BITIWQMHSA-N	1	0	431.624	4.923	50	70	biogenic	IJIARO
O=C(Cc1c(F)cccc1Cl)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217599964	569449727	/nfs/dbraw/zinc/44/97/27/569449727.db2.gz	UTYBOYIGQGMKQQ-OAQYLSRUSA-N	1	0	444.978	4.694	50	70		IJIARO
O=C(Cc1c(F)cccc1Cl)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217599884	569449791	/nfs/dbraw/zinc/44/97/91/569449791.db2.gz	UTYBOYIGQGMKQQ-NRFANRHFSA-N	1	0	444.978	4.694	50	70		IJIARO
CC(C)(C)c1ccc(C(=O)N2CCC([NH+]3CCC(Oc4nccs4)CC3)CC2)cc1	ZINC000217593445	569449704	/nfs/dbraw/zinc/44/97/04/569449704.db2.gz	MHMMPGUMMXIGMG-UHFFFAOYSA-N	1	0	427.614	4.589	50	70		IJIARO