smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](c1cccc2ccccc21)[C@H]([NH3+])c1cccc2ccccc21	ZINC000022457452	182322215	/nfs/dbraw/zinc/32/22/15/182322215.db2.gz	VVJVMUUCGDSHBT-FGZHOGPDSA-N	2	2	312.416	4.693	50	0		DJAALP
[NH3+][C@H](c1cccc2ccccc21)[C@@H]([NH3+])c1cccc2ccccc21	ZINC000022457447	182321979	/nfs/dbraw/zinc/32/19/79/182321979.db2.gz	VVJVMUUCGDSHBT-SZPZYZBQSA-N	2	2	312.416	4.693	50	0		DJAALP
CC(C)n1cc[nH+]c1C1CC[NH+](Cc2ccc(Cl)s2)CC1	ZINC000091745944	193100140	/nfs/dbraw/zinc/10/01/40/193100140.db2.gz	IMWCLOJUOJJBEE-UHFFFAOYSA-N	2	2	323.893	4.559	50	0		DJAALP
CCOc1ccc2[nH+]c(C)cc(Nc3ccc([NH+](C)C)cc3)c2c1	ZINC000000071875	563522883	/nfs/dbraw/zinc/52/28/83/563522883.db2.gz	KDWYQXRDCTWRIT-UHFFFAOYSA-N	2	2	321.424	4.752	50	0		DJAALP
Cc1ccc2[nH+]c3c(c(Nc4ccc([NH+](C)C)cc4)c2c1)CCC3	ZINC000000142591	563223470	/nfs/dbraw/zinc/22/34/70/563223470.db2.gz	VHGHXEAJCBQQRT-UHFFFAOYSA-N	2	2	317.436	4.842	50	0		DJAALP
Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc([NH+](C)C)cc3)c2c1	ZINC000000071997	563213431	/nfs/dbraw/zinc/21/34/31/563213431.db2.gz	WDLDGAUPVFLXFH-UHFFFAOYSA-N	2	2	305.425	4.970	50	0		DJAALP
[NH3+][C@@H](c1cccc2ccccc21)[C@@H]([NH3+])c1cccc2ccccc21	ZINC000022028549	182305162	/nfs/dbraw/zinc/30/51/62/182305162.db2.gz	VVJVMUUCGDSHBT-VXKWHMMOSA-N	2	2	312.416	4.693	50	0		DJAALP
C[C@]12C[C@H](CC(C)(C)C1)[N@H+](C[NH+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2	ZINC000019320122	182114813	/nfs/dbraw/zinc/11/48/13/182114813.db2.gz	ZZXYJYCEOKXSBN-ALFLXDJESA-N	2	2	318.549	4.745	50	0	biogenic	DJAALP
C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](C[NH+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2	ZINC000019320122	182114814	/nfs/dbraw/zinc/11/48/14/182114814.db2.gz	ZZXYJYCEOKXSBN-ALFLXDJESA-N	2	2	318.549	4.745	50	0	biogenic	DJAALP
C[C@]12C[C@H](CC(C)(C)C1)[NH+](C[N@@H+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2	ZINC000019320122	182114816	/nfs/dbraw/zinc/11/48/16/182114816.db2.gz	ZZXYJYCEOKXSBN-ALFLXDJESA-N	2	2	318.549	4.745	50	0	biogenic	DJAALP
C[C@]12C[C@H](CC(C)(C)C1)[NH+](C[N@H+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2	ZINC000019320122	182114818	/nfs/dbraw/zinc/11/48/18/182114818.db2.gz	ZZXYJYCEOKXSBN-ALFLXDJESA-N	2	2	318.549	4.745	50	0	biogenic	DJAALP