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[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217758854	568910354	/nfs/dbraw/zinc/91/03/54/568910354.db2.gz	WUMOGGAJJHRNBD-YTQUADARSA-N	1	0	416.497	2.017	50	70	biogenic	HEIARO
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217645358	568901569	/nfs/dbraw/zinc/90/15/69/568901569.db2.gz	WXZHVIJYLUXOLH-SLFFLAALSA-N	1	0	412.534	2.268	50	70	biogenic	HEIARO
CC[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)CC1	ZINC000216647230	568466085	/nfs/dbraw/zinc/46/60/85/568466085.db2.gz	LYGNIDUYNAQGKK-FUCAVZNHSA-N	1	0	423.557	2.140	50	70		HEIARO
COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1	ZINC000217910036	568919014	/nfs/dbraw/zinc/91/90/14/568919014.db2.gz	FWRCJYBVEAARJG-YQVWRLOYSA-N	1	0	415.534	2.437	50	70	biogenic	HEIARO
CC[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)CC1	ZINC000216647292	568466072	/nfs/dbraw/zinc/46/60/72/568466072.db2.gz	LYGNIDUYNAQGKK-OUMCCJGNSA-N	1	0	423.557	2.140	50	70		HEIARO
COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c(OC)c1	ZINC000217817119	568914007	/nfs/dbraw/zinc/91/40/07/568914007.db2.gz	ZRKBYTNENHBEQG-YQVWRLOYSA-N	1	0	415.534	2.437	50	70	biogenic	HEIARO
CC(C)Oc1ccc2nnc(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2n1	ZINC000217697037	568906813	/nfs/dbraw/zinc/90/68/13/568906813.db2.gz	CTYGFLJDFHPSFA-DLBZAZTESA-N	1	0	400.527	2.225	50	70	biogenic	HEIARO
C[NH+](C)CCCn1cnc2cc(NC(=O)Cn3cnc4ccsc4c3=O)ccc21	ZINC000218155398	568475931	/nfs/dbraw/zinc/47/59/31/568475931.db2.gz	HCTVGJVMIVOPDW-UHFFFAOYSA-N	1	0	410.503	2.398	50	70		HEIARO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217723841	568473709	/nfs/dbraw/zinc/47/37/09/568473709.db2.gz	CGMVJJVYKAKVQY-SUWCGCSTSA-N	1	0	409.392	2.396	50	70		HEIARO
COc1ccc(C[NH+]2CCC(NC(=O)CNc3nc(C)cc(C)n3)CC2)cc1OC	ZINC000218434427	568480367	/nfs/dbraw/zinc/48/03/67/568480367.db2.gz	ZDPAYQJZWJIPSO-UHFFFAOYSA-N	1	0	413.522	2.303	50	70		HEIARO