smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000161091854	531824165	/nfs/dbraw/zinc/82/41/65/531824165.db2.gz	IFNSCLAINSLIDY-UHFFFAOYSA-N	2	2	385.496	2.151	20	70		GEIDLP
COc1ccc(Br)c(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1	ZINC000160982029	531822027	/nfs/dbraw/zinc/82/20/27/531822027.db2.gz	GMTROIUZEISAEX-UHFFFAOYSA-N	2	2	398.345	2.142	20	70		GEIDLP
C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(Br)c(F)c2)CC1	ZINC000160911465	531820781	/nfs/dbraw/zinc/82/07/81/531820781.db2.gz	NPPVEAWQODNBMZ-UHFFFAOYSA-N	2	2	386.309	2.273	20	70		GEIDLP
CC[N@@H+]1CCCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1	ZINC000159725776	531791420	/nfs/dbraw/zinc/79/14/20/531791420.db2.gz	DPPDSIZGHGXJME-UHFFFAOYSA-N	2	2	380.290	2.334	20	70		GEIDLP
CC[N@H+]1CCCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1	ZINC000159725776	531791430	/nfs/dbraw/zinc/79/14/30/531791430.db2.gz	DPPDSIZGHGXJME-UHFFFAOYSA-N	2	2	380.290	2.334	20	70		GEIDLP
C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2[nH]1	ZINC000161194265	531826451	/nfs/dbraw/zinc/82/64/51/531826451.db2.gz	GMGVTBDQTVPFTP-UHFFFAOYSA-N	2	2	380.334	2.395	20	70		GEIDLP
C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2[nH]1	ZINC000161194265	531826455	/nfs/dbraw/zinc/82/64/55/531826455.db2.gz	GMGVTBDQTVPFTP-UHFFFAOYSA-N	2	2	380.334	2.395	20	70		GEIDLP
C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2[nH]1	ZINC000161194265	531826460	/nfs/dbraw/zinc/82/64/60/531826460.db2.gz	GMGVTBDQTVPFTP-UHFFFAOYSA-N	2	2	380.334	2.395	20	70		GEIDLP
C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2[nH]1	ZINC000161194265	531826465	/nfs/dbraw/zinc/82/64/65/531826465.db2.gz	GMGVTBDQTVPFTP-UHFFFAOYSA-N	2	2	380.334	2.395	20	70		GEIDLP
NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1	ZINC000159425268	531781480	/nfs/dbraw/zinc/78/14/80/531781480.db2.gz	JDDFJGUULPHLTH-KRWDZBQOSA-N	2	2	396.329	2.242	20	70		GEIDLP
NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1	ZINC000159425268	531781489	/nfs/dbraw/zinc/78/14/89/531781489.db2.gz	JDDFJGUULPHLTH-KRWDZBQOSA-N	2	2	396.329	2.242	20	70		GEIDLP
NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1	ZINC000159425138	531782111	/nfs/dbraw/zinc/78/21/11/531782111.db2.gz	JDDFJGUULPHLTH-QGZVFWFLSA-N	2	2	396.329	2.242	20	70		GEIDLP
NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1	ZINC000159425138	531782113	/nfs/dbraw/zinc/78/21/13/531782113.db2.gz	JDDFJGUULPHLTH-QGZVFWFLSA-N	2	2	396.329	2.242	20	70		GEIDLP