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/c1ccc2[nH]c(=O)ccc2c1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784570	562087733	/nfs/dbraw/zinc/08/77/33/562087733.db2.gz	SJAPPPAALBAIBC-RUDMXATFSA-N	1	1	549.571	3.724	1	70		KHIFMO
CN(C)c1ccc(/C=C/C(=O)NCCCC[N@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784606	562087747	/nfs/dbraw/zinc/08/77/47/562087747.db2.gz	GJWDRNPPBDVMAH-KPKJPENVSA-N	1	1	525.593	3.949	1	70		KHIFMO
COc1ccc(/C=C/C(=O)NCCCC[N@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784626	562087768	/nfs/dbraw/zinc/08/77/68/562087768.db2.gz	YTBUMNNIZGPKLZ-IZZDOVSWSA-N	1	1	512.550	3.892	1	70		KHIFMO
Cn1c(=O)ccc2cc(/C=C/C(=O)NCCCC[N@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc21	ZINC000043683453	562650784	/nfs/dbraw/zinc/65/07/84/562650784.db2.gz	BNBJYVKSFPTBHW-BJMVGYQFSA-N	1	1	563.598	3.735	1	70		KHIFMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000044280749	562652951	/nfs/dbraw/zinc/65/29/51/562652951.db2.gz	HGDFHYACRYJXPN-UHFFFAOYSA-N	1	1	512.007	3.812	1	70		KHIFMO
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1	ZINC000218150275	562877862	/nfs/dbraw/zinc/87/78/62/562877862.db2.gz	KDAYSUGGPVINDV-HAHDFKILSA-N	1	1	507.598	3.760	1	70		KHIFMO