smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]Cc1cc(C[NH3+])ccc1[O-]	725268842	537929543	/nfs/dbraw/zinc/92/95/43/537929543.db2.gz	CLKYJDVOWDNBLN-UHFFFAOYSA-N	1	3	180.251	0.960	10	10		ACCEHO
C[C@H]([NH3+])c1ccc([O-])c(C[NH3+])c1	258597840	573229416	/nfs/dbraw/zinc/22/94/16/573229416.db2.gz	UQGBWUMJALMLQY-LURJTMIESA-N	1	3	166.224	0.871	10	10		ACCEHO
C[NH+](C)Cc1cc(CC[NH3+])ccc1[O-]	308539267	573281701	/nfs/dbraw/zinc/28/17/01/573281701.db2.gz	STZCVILIYXLUJQ-UHFFFAOYSA-N	1	3	194.278	0.955	10	10		ACCEHO
C[C@@H]([NH3+])c1cc(CC[NH3+])ccc1[O-]	238419619	573508106	/nfs/dbraw/zinc/50/81/06/573508106.db2.gz	RNFXLJZIMJNCGE-SSDOTTSWSA-N	1	3	180.251	0.913	10	10		ACCEHO
C[C@@H]([NH3+])c1cc(C[NH3+])ccc1[O-]	104515038	574022233	/nfs/dbraw/zinc/02/22/33/574022233.db2.gz	AXNYISWUVDMKJR-ZCFIWIBFSA-N	1	3	166.224	0.871	10	10		ACCEHO
Nc1ccc(CCNCC[NH3+])cc1	238588453	572851604	/nfs/dbraw/zinc/85/16/04/572851604.db2.gz	GMLOHAURRJBPSZ-UHFFFAOYSA-N	1	3	179.267	0.360	10	10		ACCEHO
C[C@@H]([NH3+])c1ccc([O-])c(C[NH3+])c1	258597850	573226279	/nfs/dbraw/zinc/22/62/79/573226279.db2.gz	UQGBWUMJALMLQY-ZCFIWIBFSA-N	1	3	166.224	0.871	10	10		ACCEHO
C[NH2+]Cc1ccc(OC)c(CN)c1	257812065	573431477	/nfs/dbraw/zinc/43/14/77/573431477.db2.gz	BLFBKRRUTKLOOJ-UHFFFAOYSA-N	1	3	180.251	0.873	10	10		ACCEHO
C[C@H]([NH3+])c1cc(CC[NH3+])ccc1[O-]	238417508	573502561	/nfs/dbraw/zinc/50/25/61/573502561.db2.gz	RNFXLJZIMJNCGE-ZETCQYMHSA-N	1	3	180.251	0.913	10	10		ACCEHO
[NH3+]CCc1ccc([O-])c(C[NH3+])c1	257912892	573960469	/nfs/dbraw/zinc/96/04/69/573960469.db2.gz	APTWMMMMNQZTGT-UHFFFAOYSA-N	1	3	166.224	0.352	10	10		ACCEHO
CCN(CCO)C1=CCC([N+]#N)C=C1	100008558	167183978	/nfs/dbraw/zinc/18/39/78/167183978.db2.gz	HRVASZFVRTZSFO-UHFFFAOYSA-N	1	3	193.250	0.815	10	10		ACCEHO
[NH3+]CCNCCc1ccc(O)c(O)c1	28259130	169189584	/nfs/dbraw/zinc/18/95/84/169189584.db2.gz	SSDDWAKTZXWKHJ-UHFFFAOYSA-N	1	3	196.250	0.189	10	10		ACCEHO
[NH3+]Cc1c([O-])ccc(O)c1C[NH3+]	44236358	169219503	/nfs/dbraw/zinc/21/95/03/169219503.db2.gz	OMBKPBYLBUUSNI-UHFFFAOYSA-N	1	3	168.196	0.015	10	10		ACCEHO
Cc1ccc(N)c(O)c1[C@H]([NH3+])CCN	306800788	345622987	/nfs/dbraw/zinc/62/29/87/345622987.db2.gz	PJPQEEMTUGGPNE-SSDOTTSWSA-N	1	3	195.266	0.631	10	10		ACCEHO
Cc1ccc(N)c(O)c1[C@@H]([NH3+])CCN	306800789	345623451	/nfs/dbraw/zinc/62/34/51/345623451.db2.gz	PJPQEEMTUGGPNE-ZETCQYMHSA-N	1	3	195.266	0.631	10	10		ACCEHO
N[C@H](CC[NH3+])c1cc(O)ccc1O	306812972	345631150	/nfs/dbraw/zinc/63/11/50/345631150.db2.gz	BJBPDQBVJTZIEG-MRVPVSSYSA-N	1	3	182.223	0.446	10	10		ACCEHO
N[C@@H](CC[NH3+])c1cc(O)ccc1O	306812983	345631254	/nfs/dbraw/zinc/63/12/54/345631254.db2.gz	BJBPDQBVJTZIEG-QMMMGPOBSA-N	1	3	182.223	0.446	10	10		ACCEHO
CN(C)c1ccc(C[NH3+])cc1CN	520885793	352163031	/nfs/dbraw/zinc/16/30/31/352163031.db2.gz	ILFJZJHQEBXXMB-UHFFFAOYSA-N	1	3	179.267	0.670	10	10		ACCEHO
[NH3+]CCC[C@@H]([NH3+])c1cc(O)ccc1[O-]	575438834	352203311	/nfs/dbraw/zinc/20/33/11/352203311.db2.gz	CIPSPIDWNPCJMF-SECBINFHSA-N	1	3	196.250	0.837	10	10		ACCEHO
[NH3+]CCC[C@@H]([NH3+])c1ccc(O)cc1[O-]	575438955	352203353	/nfs/dbraw/zinc/20/33/53/352203353.db2.gz	PAHXHPDPHDIPMP-SECBINFHSA-N	1	3	196.250	0.837	10	10		ACCEHO
[NH3+]CCC[C@H]([NH3+])c1cc(O)ccc1[O-]	575439512	352203932	/nfs/dbraw/zinc/20/39/32/352203932.db2.gz	CIPSPIDWNPCJMF-VIFPVBQESA-N	1	3	196.250	0.837	10	10		ACCEHO
[NH3+]CCC[C@@H]([NH3+])c1cccc(O)c1[O-]	575440081	352204551	/nfs/dbraw/zinc/20/45/51/352204551.db2.gz	UGPNQFQQRWQZLA-MRVPVSSYSA-N	1	3	196.250	0.837	10	10		ACCEHO
[NH3+]CCC[C@H]([NH3+])c1ccc(O)cc1[O-]	575440347	352204630	/nfs/dbraw/zinc/20/46/30/352204630.db2.gz	PAHXHPDPHDIPMP-VIFPVBQESA-N	1	3	196.250	0.837	10	10		ACCEHO
[NH3+]CCC[C@H]([NH3+])c1cccc(O)c1[O-]	575440413	352204914	/nfs/dbraw/zinc/20/49/14/352204914.db2.gz	UGPNQFQQRWQZLA-QMMMGPOBSA-N	1	3	196.250	0.837	10	10		ACCEHO
C[NH2+]CCc1ccc([O-])c(C[NH3+])c1	257811421	573427208	/nfs/dbraw/zinc/42/72/08/573427208.db2.gz	BAQYIXRRUAJAQQ-UHFFFAOYSA-N	1	3	180.251	0.613	10	10		ACCEHO
C[C@@]([NH3+])(CO)c1cc(C[NH3+])ccc1[O-]	238437586	573549936	/nfs/dbraw/zinc/54/99/36/573549936.db2.gz	FARLBBXIJVBREB-SNVBAGLBSA-N	1	3	196.250	0.017	10	10		ACCEHO
[NH3+]Cc1cc(O)c(C[NH3+])cc1[O-]	258062378	573560299	/nfs/dbraw/zinc/56/02/99/573560299.db2.gz	SRNNTTMMSJAQIO-UHFFFAOYSA-N	1	3	168.196	0.015	10	10		ACCEHO
C[C@]([NH3+])(CO)c1cc(C[NH3+])ccc1[O-]	238506299	573757090	/nfs/dbraw/zinc/75/70/90/573757090.db2.gz	FARLBBXIJVBREB-JTQLQIEISA-N	1	3	196.250	0.017	10	10		ACCEHO