smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([C@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2)N1CC[NH+](Cc2ccccc2)CC1	ZINC000012056714	555898880	/nfs/dbraw/zinc/89/88/80/555898880.db2.gz	KGESDJKPDPCJNU-MUUNZHRXSA-N	2	1	472.677	4.233	50	10		JICAMP
COc1cccc(O)c1C[NH+]1CCC([C@@H](Cc2ccccc2)[N@@H+](C)Cc2cn(C)nc2C)CC1	ZINC000011839496	555832574	/nfs/dbraw/zinc/83/25/74/555832574.db2.gz	IYPBWBKWPJGOEP-AREMUKBSSA-N	2	1	462.638	4.398	50	10		JICAMP
CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccccc1O	ZINC000034836451	569665703	/nfs/dbraw/zinc/66/57/03/569665703.db2.gz	FXSRREHOQHLQLS-UHFFFAOYSA-N	2	1	451.590	4.189	50	10		JICAMP
CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccccc1O	ZINC000034836451	569665704	/nfs/dbraw/zinc/66/57/04/569665704.db2.gz	FXSRREHOQHLQLS-UHFFFAOYSA-N	2	1	451.590	4.189	50	10		JICAMP
O=C([C@@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2)N1CC[NH+](Cc2ccccc2)CC1	ZINC000012056711	555898828	/nfs/dbraw/zinc/89/88/28/555898828.db2.gz	KGESDJKPDPCJNU-NDEPHWFRSA-N	2	1	472.677	4.233	50	10		JICAMP
COc1cccc(O)c1C[NH+]1CCC([C@H](Cc2ccccc2)[N@@H+](C)Cc2cn(C)nc2C)CC1	ZINC000011839497	555832499	/nfs/dbraw/zinc/83/24/99/555832499.db2.gz	IYPBWBKWPJGOEP-SANMLTNESA-N	2	1	462.638	4.398	50	10		JICAMP