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)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784570	562087734	/nfs/dbraw/zinc/08/77/34/562087734.db2.gz	SJAPPPAALBAIBC-RUDMXATFSA-N	0	1	549.571	3.724	1	70		KHIFMN
CN(C)c1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784606	562087748	/nfs/dbraw/zinc/08/77/48/562087748.db2.gz	GJWDRNPPBDVMAH-KPKJPENVSA-N	0	1	525.593	3.949	1	70		KHIFMN
COc1ccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784626	562087769	/nfs/dbraw/zinc/08/77/69/562087769.db2.gz	YTBUMNNIZGPKLZ-IZZDOVSWSA-N	0	1	512.550	3.892	1	70		KHIFMN
Cn1c(=O)ccc2cc(/C=C/C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc21	ZINC000043683453	562650785	/nfs/dbraw/zinc/65/07/85/562650785.db2.gz	BNBJYVKSFPTBHW-BJMVGYQFSA-N	0	1	563.598	3.735	1	70		KHIFMN
COc1cccc(/C=C/C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1	ZINC000044181676	562652490	/nfs/dbraw/zinc/65/24/90/562652490.db2.gz	IAMMMQJIUFFPMO-JXMROGBWSA-N	0	1	512.550	3.892	1	70		KHIFMN
COc1cccc(/C=C/C(=O)NCCCC[N@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1	ZINC000044181676	562652489	/nfs/dbraw/zinc/65/24/89/562652489.db2.gz	IAMMMQJIUFFPMO-JXMROGBWSA-N	0	1	512.550	3.892	1	70		KHIFMN
CS(=O)(=O)c1ccccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)CC1	ZINC000217624824	562877687	/nfs/dbraw/zinc/87/76/87/562877687.db2.gz	IQVVGQSCXCXBTM-UHFFFAOYSA-N	0	1	565.673	3.563	1	70		KHIFMN
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(Cc2cccnc2)CC1	ZINC000217633197	562877646	/nfs/dbraw/zinc/87/76/46/562877646.db2.gz	SWCGPGRSTYISQV-UHFFFAOYSA-N	0	1	502.596	3.640	1	70		KHIFMN