smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc2oc(C3=CC[N@@H+](Cc4ccccc4F)CC3)nc2c1	ZINC000216784233	571141695	/nfs/dbraw/zinc/14/16/95/571141695.db2.gz	KSAHIQKRGSUJON-UHFFFAOYSA-N	1	1	350.437	5.380	40	70		FKIBMO
CC(C)c1ccc2oc(C3=CC[N@H+](Cc4ccccc4F)CC3)nc2c1	ZINC000216784233	571141693	/nfs/dbraw/zinc/14/16/93/571141693.db2.gz	KSAHIQKRGSUJON-UHFFFAOYSA-N	1	1	350.437	5.380	40	70		FKIBMO
CC(C)c1ccc2oc(C3=CC[N@@H+](Cc4ccc(F)cc4)CC3)nc2c1	ZINC000216784854	210156789	/nfs/dbraw/zinc/15/67/89/210156789.db2.gz	QJSVTIDRCDYREG-UHFFFAOYSA-N	1	1	350.437	5.380	40	70		FKIBMO
CC(C)c1ccc2oc(C3=CC[N@@H+](Cc4cccc(F)c4)CC3)nc2c1	ZINC000216785339	571141591	/nfs/dbraw/zinc/14/15/91/571141591.db2.gz	TTZJRRXSUQEWAS-UHFFFAOYSA-N	1	1	350.437	5.380	40	70		FKIBMO
Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccccc2)cc1NC(=O)OC(C)(C)C	ZINC000218320093	571353315	/nfs/dbraw/zinc/35/33/15/571353315.db2.gz	LRAKUXVJDOLQFR-QGZVFWFLSA-N	1	1	354.494	5.535	40	70		FKIBMO
Cc1ccc([C@H](C)[N@@H+](C)Cc2ccccc2)cc1NC(=O)OC(C)(C)C	ZINC000218320162	571353319	/nfs/dbraw/zinc/35/33/19/571353319.db2.gz	LRAKUXVJDOLQFR-KRWDZBQOSA-N	1	1	354.494	5.535	40	70		FKIBMO
CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218321213	571172535	/nfs/dbraw/zinc/17/25/35/571172535.db2.gz	ARRVJJIDIDVUOO-NRFANRHFSA-N	1	1	358.529	6.190	40	70		FKIBMO
CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218321280	571172541	/nfs/dbraw/zinc/17/25/41/571172541.db2.gz	ARRVJJIDIDVUOO-OAQYLSRUSA-N	1	1	358.529	6.190	40	70		FKIBMO
CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	ZINC000218321372	571172530	/nfs/dbraw/zinc/17/25/30/571172530.db2.gz	VKFFZZLGODHPPG-SFHVURJKSA-N	1	1	368.521	5.925	40	70		FKIBMO
CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	ZINC000218321454	571172489	/nfs/dbraw/zinc/17/24/89/571172489.db2.gz	VKFFZZLGODHPPG-GOSISDBHSA-N	1	1	368.521	5.925	40	70		FKIBMO
CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218322506	571353356	/nfs/dbraw/zinc/35/33/56/571353356.db2.gz	XATUATCOYLXIRL-QFIPXVFZSA-N	1	1	372.556	6.580	40	70		FKIBMO
CCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218322585	571353373	/nfs/dbraw/zinc/35/33/73/571353373.db2.gz	XATUATCOYLXIRL-JOCHJYFZSA-N	1	1	372.556	6.580	40	70		FKIBMO
CCCCNc1cc([C@@H](C)[N@@H+](CCCC)Cc2ccccc2)ccc1C	ZINC000218323707	571172597	/nfs/dbraw/zinc/17/25/97/571172597.db2.gz	SPTZFJXCPVMBHM-OAQYLSRUSA-N	1	1	352.566	6.570	40	70		FKIBMO
CCCCNc1cc([C@H](C)[N@@H+](CCCC)Cc2ccccc2)ccc1C	ZINC000218323795	571353410	/nfs/dbraw/zinc/35/34/10/571353410.db2.gz	SPTZFJXCPVMBHM-NRFANRHFSA-N	1	1	352.566	6.570	40	70		FKIBMO