smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCc1c(C)[nH+]c2ccccc2c1Nc1ccccc1	ZINC000217442548	563943547	/nfs/dbraw/zinc/94/35/47/563943547.db2.gz	JOBMKHAAHHUUJS-UHFFFAOYSA-N	1	0	304.437	6.020	40	70		DKIBRO
Cc1[nH+]c2ccccc2c(Nc2ccccc2)c1Cc1ccccc1	ZINC000217443355	563943599	/nfs/dbraw/zinc/94/35/99/563943599.db2.gz	RKAVRKKRWKUZJB-UHFFFAOYSA-N	1	0	324.427	5.878	40	70		DKIBRO
CCCCCc1c(C)[nH+]c2c(C)cccc2c1Nc1ccccc1	ZINC000217444054	563943554	/nfs/dbraw/zinc/94/35/54/563943554.db2.gz	AAXNMUBWQKXZQL-UHFFFAOYSA-N	1	0	318.464	6.328	40	70		DKIBRO
CCCCNc1cc([C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C	ZINC000218319742	257130389	/nfs/dbraw/zinc/13/03/89/257130389.db2.gz	AAAYKXHHZJFLKO-GOSISDBHSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCCCNc1cc([C@H](C)[N@H+](C)Cc2ccccc2)ccc1C	ZINC000218319827	257130675	/nfs/dbraw/zinc/13/06/75/257130675.db2.gz	AAAYKXHHZJFLKO-SFHVURJKSA-N	1	0	310.485	5.400	40	70		DKIBRO
CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218320664	257130600	/nfs/dbraw/zinc/13/06/00/257130600.db2.gz	KRTMIHYXURWRRQ-SFHVURJKSA-N	1	0	310.485	5.398	40	70		DKIBRO
CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218320747	257130703	/nfs/dbraw/zinc/13/07/03/257130703.db2.gz	KRTMIHYXURWRRQ-GOSISDBHSA-N	1	0	310.485	5.398	40	70		DKIBRO
CCCNc1cc([C@@H](C)[N@H+](CC)Cc2ccccc2)ccc1C	ZINC000218320848	257130725	/nfs/dbraw/zinc/13/07/25/257130725.db2.gz	SAASKBLXPRINNW-GOSISDBHSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCCNc1cc([C@H](C)[N@H+](CC)Cc2ccccc2)ccc1C	ZINC000218320927	257130566	/nfs/dbraw/zinc/13/05/66/257130566.db2.gz	SAASKBLXPRINNW-SFHVURJKSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCCCNc1cc([C@@H](C)[N@H+](CC)Cc2ccccc2)ccc1C	ZINC000218321036	257130752	/nfs/dbraw/zinc/13/07/52/257130752.db2.gz	UDSRZQFTLWJADD-LJQANCHMSA-N	1	0	324.512	5.790	40	70		DKIBRO
CCCCNc1cc([C@H](C)[N@H+](CC)Cc2ccccc2)ccc1C	ZINC000218321109	257130740	/nfs/dbraw/zinc/13/07/40/257130740.db2.gz	UDSRZQFTLWJADD-IBGZPJMESA-N	1	0	324.512	5.790	40	70		DKIBRO
CCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCC)c1	ZINC000218321785	257130813	/nfs/dbraw/zinc/13/08/13/257130813.db2.gz	XKURFLIWYBRJNX-SFHVURJKSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCC)c1	ZINC000218321857	257130966	/nfs/dbraw/zinc/13/09/66/257130966.db2.gz	XKURFLIWYBRJNX-GOSISDBHSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218321964	257130542	/nfs/dbraw/zinc/13/05/42/257130542.db2.gz	UZTAMQADKMMXON-IBGZPJMESA-N	1	0	324.512	5.789	40	70		DKIBRO
CCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218322038	257130870	/nfs/dbraw/zinc/13/08/70/257130870.db2.gz	UZTAMQADKMMXON-LJQANCHMSA-N	1	0	324.512	5.789	40	70		DKIBRO
CCCNc1cc([C@@H](C)[N@H+](CCC)Cc2ccccc2)ccc1C	ZINC000218322135	257130758	/nfs/dbraw/zinc/13/07/58/257130758.db2.gz	MZVOWDACSAUXHE-LJQANCHMSA-N	1	0	324.512	5.790	40	70		DKIBRO
CCCNc1cc([C@H](C)[N@H+](CCC)Cc2ccccc2)ccc1C	ZINC000218322198	257130953	/nfs/dbraw/zinc/13/09/53/257130953.db2.gz	MZVOWDACSAUXHE-IBGZPJMESA-N	1	0	324.512	5.790	40	70		DKIBRO
CCCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1	ZINC000218322903	257130748	/nfs/dbraw/zinc/13/07/48/257130748.db2.gz	FLSACQFZEBPADA-SFHVURJKSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC)c1	ZINC000218322978	257130440	/nfs/dbraw/zinc/13/04/40/257130440.db2.gz	FLSACQFZEBPADA-GOSISDBHSA-N	1	0	310.485	5.400	40	70		DKIBRO
CCCC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCC)c1	ZINC000218323088	257130977	/nfs/dbraw/zinc/13/09/77/257130977.db2.gz	JSPKPHSQHFMXDE-IBGZPJMESA-N	1	0	324.512	5.790	40	70		DKIBRO
CCCC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCC)c1	ZINC000218323182	257130698	/nfs/dbraw/zinc/13/06/98/257130698.db2.gz	JSPKPHSQHFMXDE-LJQANCHMSA-N	1	0	324.512	5.790	40	70		DKIBRO