smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000248827193	131116809	/nfs/dbraw/zinc/11/68/09/131116809.db2.gz	GNRGSHHPSHTUCV-BJWYYQGGSA-N	1	3	256.393	2.958	40	30		CFEBHO
C=CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000248827193	131116811	/nfs/dbraw/zinc/11/68/11/131116811.db2.gz	GNRGSHHPSHTUCV-BJWYYQGGSA-N	1	3	256.393	2.958	40	30		CFEBHO
C[C@H](C[C@@H](C#CCN(C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593746	371685352	/nfs/dbraw/zinc/68/53/52/371685352.db2.gz	HEZYTKNQCGFASS-HUUCEWRRSA-N	1	3	252.446	2.944	40	30		CFEBHO
C=CCN1CCC[C@]2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000019015192	372147636	/nfs/dbraw/zinc/14/76/36/372147636.db2.gz	BFVGXAHDYQXYDW-KRWDZBQOSA-N	1	3	272.392	2.579	40	30		CFEBHO
CNC(=N)NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000005832159	170145131	/nfs/dbraw/zinc/14/51/31/170145131.db2.gz	HPIFGVIJVOGIGI-UHFFFAOYSA-N	1	3	291.358	2.683	40	30	in-vitro	CFEBHO
CC1(C)C[C@@H]([NH2+]CCC#N)C[C@@](C)(CNCCC#N)C1	ZINC000033611225	281317029	/nfs/dbraw/zinc/31/70/29/281317029.db2.gz	HEUAYLFWKXGPEA-GDBMZVCRSA-N	1	3	276.428	2.578	40	30		CFEBHO
C=CCN1CCC[C@@]2(CC1)C[NH2+]Cc1ccccc1O2	ZINC000019015189	372147483	/nfs/dbraw/zinc/14/74/83/372147483.db2.gz	BFVGXAHDYQXYDW-QGZVFWFLSA-N	1	3	272.392	2.579	40	30		CFEBHO
CN(C)CC[C@](C#N)(CCC[NH+](C)C)c1ccccc1	ZINC000006426282	289119123	/nfs/dbraw/zinc/11/91/23/289119123.db2.gz	ZWSLGGLYOUGQKB-KRWDZBQOSA-N	1	3	273.424	2.741	40	30		CFEBHO
C[C@@H](C[C@H](C#CCN(C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593747	371685000	/nfs/dbraw/zinc/68/50/00/371685000.db2.gz	HEZYTKNQCGFASS-GJZGRUSLSA-N	1	3	252.446	2.944	40	30		CFEBHO
CC1(C)C[C@@H]([NH2+]CCC#N)C[C@](C)(CNCCC#N)C1	ZINC000033611227	372498693	/nfs/dbraw/zinc/49/86/93/372498693.db2.gz	HEUAYLFWKXGPEA-ZBFHGGJFSA-N	1	3	276.428	2.578	40	30		CFEBHO
C[C@@H](C[C@@H](C#CCN(C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593745	371684697	/nfs/dbraw/zinc/68/46/97/371684697.db2.gz	HEZYTKNQCGFASS-LSDHHAIUSA-N	1	3	252.446	2.944	40	30		CFEBHO
CCCCCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1	ZINC000005782449	393462715	/nfs/dbraw/zinc/46/27/15/393462715.db2.gz	SVTOENGNWAMDOJ-UHFFFAOYSA-N	1	3	295.818	2.980	40	30	in-vitro	CFEBHO
C[C@H](C[C@H](C#CCN(C)C)[NH+](C)C)CC(C)(C)C	ZINC000001593748	371684526	/nfs/dbraw/zinc/68/45/26/371684526.db2.gz	HEZYTKNQCGFASS-CABCVRRESA-N	1	3	252.446	2.944	40	30		CFEBHO
CC1(C)C[C@H]([NH2+]CCC#N)C[C@@](C)(CNCCC#N)C1	ZINC000033611226	372497808	/nfs/dbraw/zinc/49/78/08/372497808.db2.gz	HEUAYLFWKXGPEA-GOEBONIOSA-N	1	3	276.428	2.578	40	30		CFEBHO
CC1(C)C[C@H]([NH2+]CCC#N)C[C@](C)(CNCCC#N)C1	ZINC000033611228	281356903	/nfs/dbraw/zinc/35/69/03/281356903.db2.gz	HEUAYLFWKXGPEA-HOCLYGCPSA-N	1	3	276.428	2.578	40	30		CFEBHO
N=C(NC(=[NH2+])NC1CCCCC1)Nc1ccc(Cl)cc1	ZINC000001621241	534972915	/nfs/dbraw/zinc/97/29/15/534972915.db2.gz	WUPJXRQWQRBGOC-UHFFFAOYSA-N	1	3	293.802	2.523	40	30		CFEBHO
CN(C)CC[C@@](C#N)(CCC[NH+](C)C)c1ccccc1	ZINC000001593309	289119193	/nfs/dbraw/zinc/11/91/93/289119193.db2.gz	ZWSLGGLYOUGQKB-QGZVFWFLSA-N	1	3	273.424	2.741	40	30		CFEBHO