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+](Cc4ccc(F)cc4)CC3)nc2c1	ZINC000216784854	210156785	/nfs/dbraw/zinc/15/67/85/210156785.db2.gz	QJSVTIDRCDYREG-UHFFFAOYSA-N	1	0	350.437	5.380	40	70		FKIBRO
CC(C)c1ccc2oc(C3=CC[N@H+](Cc4cccc(F)c4)CC3)nc2c1	ZINC000216785339	571141588	/nfs/dbraw/zinc/14/15/88/571141588.db2.gz	TTZJRRXSUQEWAS-UHFFFAOYSA-N	1	0	350.437	5.380	40	70		FKIBRO
Cc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2)cc1NC(=O)OC(C)(C)C	ZINC000218320093	571353314	/nfs/dbraw/zinc/35/33/14/571353314.db2.gz	LRAKUXVJDOLQFR-QGZVFWFLSA-N	1	0	354.494	5.535	40	70		FKIBRO
Cc1ccc([C@H](C)[N@H+](C)Cc2ccccc2)cc1NC(=O)OC(C)(C)C	ZINC000218320162	571353318	/nfs/dbraw/zinc/35/33/18/571353318.db2.gz	LRAKUXVJDOLQFR-KRWDZBQOSA-N	1	0	354.494	5.535	40	70		FKIBRO
CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218321213	571172533	/nfs/dbraw/zinc/17/25/33/571172533.db2.gz	ARRVJJIDIDVUOO-NRFANRHFSA-N	1	0	358.529	6.190	40	70		FKIBRO
CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218321280	571172538	/nfs/dbraw/zinc/17/25/38/571172538.db2.gz	ARRVJJIDIDVUOO-OAQYLSRUSA-N	1	0	358.529	6.190	40	70		FKIBRO
CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	ZINC000218321372	571172527	/nfs/dbraw/zinc/17/25/27/571172527.db2.gz	VKFFZZLGODHPPG-SFHVURJKSA-N	1	0	368.521	5.925	40	70		FKIBRO
CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1	ZINC000218321454	571172486	/nfs/dbraw/zinc/17/24/86/571172486.db2.gz	VKFFZZLGODHPPG-GOSISDBHSA-N	1	0	368.521	5.925	40	70		FKIBRO
CCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218322506	571353355	/nfs/dbraw/zinc/35/33/55/571353355.db2.gz	XATUATCOYLXIRL-QFIPXVFZSA-N	1	0	372.556	6.580	40	70		FKIBRO
CCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCc2ccccc2)c1	ZINC000218322585	571353372	/nfs/dbraw/zinc/35/33/72/571353372.db2.gz	XATUATCOYLXIRL-JOCHJYFZSA-N	1	0	372.556	6.580	40	70		FKIBRO
CCCCNc1cc([C@@H](C)[N@H+](CCCC)Cc2ccccc2)ccc1C	ZINC000218323707	571172594	/nfs/dbraw/zinc/17/25/94/571172594.db2.gz	SPTZFJXCPVMBHM-OAQYLSRUSA-N	1	0	352.566	6.570	40	70		FKIBRO
CCCCNc1cc([C@H](C)[N@H+](CCCC)Cc2ccccc2)ccc1C	ZINC000218323795	571353409	/nfs/dbraw/zinc/35/34/09/571353409.db2.gz	SPTZFJXCPVMBHM-NRFANRHFSA-N	1	0	352.566	6.570	40	70		FKIBRO