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@H]([NH2+]CC[NH3+])c1ccccc1O	37712495	674059888	/nfs/dbraw/zinc/05/98/88/674059888.db2.gz	WDHFCSOIUMTOAN-JTQLQIEISA-N	2	1	194.278	1.392	20	10		ADCDMP
C[N@@H+](CCC[NH3+])Cc1ccc(N)cc1	1262487498	1170131219	/nfs/dbraw/zinc/13/12/19/1170131219.db2.gz	VPNFHHPRVCDHCD-UHFFFAOYSA-N	2	1	193.294	1.049	20	10		ADCDMP
CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N)cc1	1334755139	1170344102	/nfs/dbraw/zinc/34/41/02/1170344102.db2.gz	XIIZGOOCGARDFY-SNVBAGLBSA-N	2	1	193.294	1.096	20	10		ADCDMP
CC[N@H+](CCN)Cc1ccc(N)cc1	1334754604	1170344457	/nfs/dbraw/zinc/34/44/57/1170344457.db2.gz	PMHVUXUCVAJGHV-UHFFFAOYSA-N	2	1	193.294	1.049	20	10		ADCDMP
CC[N@@H+](CCN)Cc1ccc(N)cc1	1334754604	1170344463	/nfs/dbraw/zinc/34/44/63/1170344463.db2.gz	PMHVUXUCVAJGHV-UHFFFAOYSA-N	2	1	193.294	1.049	20	10		ADCDMP
CC[C@H]([NH3+])C[NH2+]Cc1ccc(N)cc1	1334755138	1170344900	/nfs/dbraw/zinc/34/49/00/1170344900.db2.gz	XIIZGOOCGARDFY-JTQLQIEISA-N	2	1	193.294	1.096	20	10		ADCDMP
CC(C)([NH3+])C[NH2+]Cc1ccc(N)cc1	1337838258	1170399897	/nfs/dbraw/zinc/39/98/97/1170399897.db2.gz	MWYOVXNYVYVIDP-UHFFFAOYSA-N	2	1	193.294	1.096	20	10		ADCDMP
Cc1ccc([C@H](C)[NH2+]CC[NH3+])c(O)c1	37712660	572181300	/nfs/dbraw/zinc/18/13/00/572181300.db2.gz	HVCNMILYGWOTIC-VIFPVBQESA-N	2	1	194.278	1.310	20	10		ADCDMP
CC[C@@H]([NH2+]CC[NH3+])c1ccccc1O	37712496	572182236	/nfs/dbraw/zinc/18/22/36/572182236.db2.gz	WDHFCSOIUMTOAN-SNVBAGLBSA-N	2	1	194.278	1.392	20	10		ADCDMP
C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1O	817965947	582998665	/nfs/dbraw/zinc/99/86/65/582998665.db2.gz	FGGPQKARMSRRGX-RKDXNWHRSA-N	2	1	194.278	1.390	20	10		ADCDMP
C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1O	817969624	582999926	/nfs/dbraw/zinc/99/99/26/582999926.db2.gz	FGGPQKARMSRRGX-IUCAKERBSA-N	2	1	194.278	1.390	20	10		ADCDMP
C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1O	817969623	583000195	/nfs/dbraw/zinc/00/01/95/583000195.db2.gz	FGGPQKARMSRRGX-DTWKUNHWSA-N	2	1	194.278	1.390	20	10		ADCDMP
C[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1O	817965945	583000610	/nfs/dbraw/zinc/00/06/10/583000610.db2.gz	FGGPQKARMSRRGX-BDAKNGLRSA-N	2	1	194.278	1.390	20	10		ADCDMP
Cc1cccc(C[NH2+][C@H](C)C[NH3+])c1O	841060153	583111708	/nfs/dbraw/zinc/11/17/08/583111708.db2.gz	RBVSOGPSHOPGKS-SECBINFHSA-N	2	1	194.278	1.137	20	10		ADCDMP
Cc1ccc(O)c(C[NH2+][C@@H](C)C[NH3+])c1	841063520	583111739	/nfs/dbraw/zinc/11/17/39/583111739.db2.gz	LBENTMMDYFEIQB-VIFPVBQESA-N	2	1	194.278	1.137	20	10		ADCDMP
Cc1ccc(O)c(C[NH2+][C@H](C)C[NH3+])c1	841059889	583111915	/nfs/dbraw/zinc/11/19/15/583111915.db2.gz	LBENTMMDYFEIQB-SECBINFHSA-N	2	1	194.278	1.137	20	10		ADCDMP
Cc1cccc(C[NH2+][C@@H](C)C[NH3+])c1O	841063856	583112719	/nfs/dbraw/zinc/11/27/19/583112719.db2.gz	RBVSOGPSHOPGKS-VIFPVBQESA-N	2	1	194.278	1.137	20	10		ADCDMP
Cc1ccc([C@@H](C)[NH2+]CC[NH3+])c(O)c1	37712659	168835160	/nfs/dbraw/zinc/83/51/60/168835160.db2.gz	HVCNMILYGWOTIC-SECBINFHSA-N	2	1	194.278	1.310	20	10		ADCDMP
C[N@@H+](CCC[NH3+])Cc1ccccc1O	227743621	630858740	/nfs/dbraw/zinc/85/87/40/630858740.db2.gz	XKQHNWIVVROTKH-UHFFFAOYSA-N	2	1	194.278	1.173	20	10		ADCDMP