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]([NH3+])c1cc(C)c(F)cc1[O-]	238271601	573087059	/nfs/dbraw/zinc/08/70/59/573087059.db2.gz	PXPLMIYNZRVDJQ-SECBINFHSA-N	0	1	183.226	2.250	20	10		AECDMN
Cc1cc([C@H]([NH3+])C(C)C)c([O-])cc1F	238169631	573861442	/nfs/dbraw/zinc/86/14/42/573861442.db2.gz	AKIVIELKFCBESJ-LLVKDONJSA-N	0	1	197.253	2.496	20	10		AECDMN
CC[C@H]([NH3+])c1cc(C)c(F)cc1[O-]	238311110	573202003	/nfs/dbraw/zinc/20/20/03/573202003.db2.gz	PXPLMIYNZRVDJQ-VIFPVBQESA-N	0	1	183.226	2.250	20	10		AECDMN
COc1ccc(CNCCF)cc1C	308552291	573315918	/nfs/dbraw/zinc/31/59/18/573315918.db2.gz	QUCAAKJILUFMAK-UHFFFAOYSA-N	0	1	197.253	2.063	20	10		AECDMN
CC(C)[C@@H]([NH3+])c1cc(F)ccc1[O-]	75854057	573709198	/nfs/dbraw/zinc/70/91/98/573709198.db2.gz	VKCKBGUGACJHAB-SNVBAGLBSA-N	0	1	183.226	2.187	20	10		AECDMN
Cc1cc([C@@H]([NH3+])C(C)C)c([O-])cc1F	238170190	573864063	/nfs/dbraw/zinc/86/40/63/573864063.db2.gz	AKIVIELKFCBESJ-NSHDSACASA-N	0	1	197.253	2.496	20	10		AECDMN
C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1	132660601	343902451	/nfs/dbraw/zinc/90/24/51/343902451.db2.gz	WZYCGXXJKZUEPJ-SNVBAGLBSA-N	0	1	191.274	2.234	20	10		AECDMN
[O-]c1ccc(Cl)cc1C[NH2+]C1CC1	21955913	171041469	/nfs/dbraw/zinc/04/14/69/171041469.db2.gz	LTSRGVXGHFIHBZ-UHFFFAOYSA-N	0	1	197.665	2.298	20	10		AECDMN
[NH3+][C@H](CF)c1cc(Cl)ccc1[O-]	238684038	344819017	/nfs/dbraw/zinc/81/90/17/344819017.db2.gz	YFCSVQOEPATSNK-SSDOTTSWSA-N	0	1	189.617	2.015	20	10		AECDMN
CN(c1ccncc1)c1ccc(N)cc1	2524455	342974475	/nfs/dbraw/zinc/97/44/75/342974475.db2.gz	CQOXJJMNEPQCMZ-UHFFFAOYSA-N	0	1	199.257	2.432	20	10		AECDMN
C[C@H]1CC[N@@H+](Cc2ccccc2O)C1	132660797	343902526	/nfs/dbraw/zinc/90/25/26/343902526.db2.gz	WZYCGXXJKZUEPJ-JTQLQIEISA-N	0	1	191.274	2.234	20	10		AECDMN
[NH3+][C@@H](CF)c1cc(Cl)ccc1[O-]	238572850	344813759	/nfs/dbraw/zinc/81/37/59/344813759.db2.gz	YFCSVQOEPATSNK-ZETCQYMHSA-N	0	1	189.617	2.015	20	10		AECDMN
CC(C)[C@H]([NH3+])c1cc(F)ccc1[O-]	75854056	573711564	/nfs/dbraw/zinc/71/15/64/573711564.db2.gz	VKCKBGUGACJHAB-JTQLQIEISA-N	0	1	183.226	2.187	20	10		AECDMN
[NH3+][C@H](c1cc(Cl)ccc1[O-])C1CC1	95672758	630202431	/nfs/dbraw/zinc/20/24/31/630202431.db2.gz	NDICKVYGWMUVHB-JTQLQIEISA-N	0	1	197.665	2.455	20	10		AECDMN
[NH3+][C@@H](c1cc(Cl)ccc1[O-])C1CC1	95659540	630205136	/nfs/dbraw/zinc/20/51/36/630205136.db2.gz	NDICKVYGWMUVHB-SNVBAGLBSA-N	0	1	197.665	2.455	20	10		AECDMN
Oc1ccccc1C[N@@H+]1CC=CCC1	59406303	630855229	/nfs/dbraw/zinc/85/52/29/630855229.db2.gz	UPTPHIPGAXUNGQ-UHFFFAOYSA-N	0	1	189.258	2.154	20	10		AECDMN