smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218360752	569457097	/nfs/dbraw/zinc/45/70/97/569457097.db2.gz	WWQJCOWKOFBPAG-CQSZACIVSA-N	1	1	425.403	3.444	50	70		IGIAMO
COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217799581	569453405	/nfs/dbraw/zinc/45/34/05/569453405.db2.gz	FGVIFFMCOMNUKL-SFHVURJKSA-N	1	1	431.485	3.044	50	70		IGIAMO
COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217815782	569453589	/nfs/dbraw/zinc/45/35/89/569453589.db2.gz	DYSYOZMNZDWXDI-QGZVFWFLSA-N	1	1	431.485	3.044	50	70		IGIAMO
COc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1OC	ZINC000217902690	569454779	/nfs/dbraw/zinc/45/47/79/569454779.db2.gz	WONADYUPQGLGDE-ZWKOTPCHSA-N	1	1	428.533	3.067	50	70		IGIAMO
O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699807	557173234	/nfs/dbraw/zinc/17/32/34/557173234.db2.gz	KMVDGLCFSARJAA-KCXPTXFHSA-N	1	1	442.302	3.425	50	70		IGIAMO
O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699807	557173239	/nfs/dbraw/zinc/17/32/39/557173239.db2.gz	KMVDGLCFSARJAA-KCXPTXFHSA-N	1	1	442.302	3.425	50	70		IGIAMO
COc1ccc(-c2noc(CCCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1OC	ZINC000217836895	569453976	/nfs/dbraw/zinc/45/39/76/569453976.db2.gz	GEMVQONVDFUQKH-RBUKOAKNSA-N	1	1	442.560	3.457	50	70		IGIAMO
COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218183038	557181200	/nfs/dbraw/zinc/18/12/00/557181200.db2.gz	MWBBRYHBIFNWIY-HNNXBMFYSA-N	1	1	449.887	3.408	50	70		IGIAMO
O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1	ZINC000217972372	569455473	/nfs/dbraw/zinc/45/54/73/569455473.db2.gz	WKKUCTQQHQCIHS-DOTOQJQBSA-N	1	1	447.992	3.287	50	70		IGIAMO
COC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217799674	569453374	/nfs/dbraw/zinc/45/33/74/569453374.db2.gz	FGVIFFMCOMNUKL-GOSISDBHSA-N	1	1	431.485	3.044	50	70		IGIAMO
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217815875	569453594	/nfs/dbraw/zinc/45/35/94/569453594.db2.gz	DYSYOZMNZDWXDI-KRWDZBQOSA-N	1	1	431.485	3.044	50	70		IGIAMO
O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699885	568883332	/nfs/dbraw/zinc/88/33/32/568883332.db2.gz	KMVDGLCFSARJAA-FBAVSBLXSA-N	1	1	442.302	3.425	50	70		IGIAMO
O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699885	568883334	/nfs/dbraw/zinc/88/33/34/568883334.db2.gz	KMVDGLCFSARJAA-FBAVSBLXSA-N	1	1	442.302	3.425	50	70		IGIAMO
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@H+](C)Cc1ccccc1	ZINC000218567071	557207937	/nfs/dbraw/zinc/20/79/37/557207937.db2.gz	VTEUCELZXSDXOQ-UHFFFAOYSA-N	1	1	432.568	3.045	50	70		IGIAMO
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@@H+](C)Cc1ccccc1	ZINC000218567071	557207943	/nfs/dbraw/zinc/20/79/43/557207943.db2.gz	VTEUCELZXSDXOQ-UHFFFAOYSA-N	1	1	432.568	3.045	50	70		IGIAMO
O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699725	557173340	/nfs/dbraw/zinc/17/33/40/557173340.db2.gz	KMVDGLCFSARJAA-SUWCGCSTSA-N	1	1	442.302	3.425	50	70		IGIAMO
O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217699725	557173343	/nfs/dbraw/zinc/17/33/43/557173343.db2.gz	KMVDGLCFSARJAA-SUWCGCSTSA-N	1	1	442.302	3.425	50	70		IGIAMO
COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218182961	557181123	/nfs/dbraw/zinc/18/11/23/557181123.db2.gz	MWBBRYHBIFNWIY-OAHLLOKOSA-N	1	1	449.887	3.408	50	70		IGIAMO
COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218360847	569457082	/nfs/dbraw/zinc/45/70/82/569457082.db2.gz	WWQJCOWKOFBPAG-AWEZNQCLSA-N	1	1	425.403	3.444	50	70		IGIAMO