smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3c3cc(F)ccc3F)n2)o1	ZINC000160210221	455438813	/nfs/dbraw/zinc/43/88/13/455438813.db2.gz	ZOUKLZJTKHNNPW-JQWIXIFHSA-N	-1	1	344.321	3.394	10	70		EGIEMM
CCC1CCC(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000159861420	455409908	/nfs/dbraw/zinc/40/99/08/455409908.db2.gz	IYWVHZVUTKTGFO-UHFFFAOYSA-N	-1	1	344.459	3.069	10	70		EGIEMM
O=S(=O)(Cc1cccc(F)c1)[N-]c1cc(Cl)c(Cl)cn1	ZINC000160961834	307896867	/nfs/dbraw/zinc/89/68/67/307896867.db2.gz	XMTFKIYWUIVONC-UHFFFAOYSA-N	-1	1	335.187	3.469	10	70		EGIEMM
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)o1	ZINC000160209804	455438630	/nfs/dbraw/zinc/43/86/30/455438630.db2.gz	ZOUKLZJTKHNNPW-ZYHUDNBSSA-N	-1	1	344.321	3.394	10	70		EGIEMM
CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nccs1	ZINC000159951714	307882853	/nfs/dbraw/zinc/88/28/53/307882853.db2.gz	SNMCPHDWKMIMBA-SECBINFHSA-N	-1	1	334.825	3.365	10	70		EGIEMM
CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1nccs1	ZINC000159951588	307882695	/nfs/dbraw/zinc/88/26/95/307882695.db2.gz	SNMCPHDWKMIMBA-VIFPVBQESA-N	-1	1	334.825	3.365	10	70		EGIEMM
Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3c3cc(F)ccc3F)n2)o1	ZINC000160209938	455438739	/nfs/dbraw/zinc/43/87/39/455438739.db2.gz	ZOUKLZJTKHNNPW-PWSUYJOCSA-N	-1	1	344.321	3.394	10	70		EGIEMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C)cccc1Cl	ZINC000161048709	455527660	/nfs/dbraw/zinc/52/76/60/455527660.db2.gz	BFQGXYUTIXDXQD-UHFFFAOYSA-N	-1	1	334.228	3.145	10	70		EGIEMM
Cc1ccc(O)c(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1	ZINC000161475980	455573919	/nfs/dbraw/zinc/57/39/19/455573919.db2.gz	YDUGLPVMYZGMCI-UHFFFAOYSA-N	-1	1	345.418	3.474	10	70		EGIEMM
COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)n1	ZINC000160665397	307893229	/nfs/dbraw/zinc/89/32/29/307893229.db2.gz	CADNSRLMSQUCHG-UHFFFAOYSA-N	-1	1	326.805	3.161	10	70		EGIEMM
CCCCc1cc([N-]S(=O)(=O)c2cccc3ncccc32)[nH]n1	ZINC000159944980	455417835	/nfs/dbraw/zinc/41/78/35/455417835.db2.gz	VSFOXXZCPMGNQT-UHFFFAOYSA-N	-1	1	330.413	3.101	10	70		EGIEMM
Cc1cc(C[C@H](C)NC(=O)c2ccc(Cl)c(Cl)c2[O-])n[nH]1	ZINC000161287642	455555753	/nfs/dbraw/zinc/55/57/53/455555753.db2.gz	IKOBPPQHVJBVSR-ZETCQYMHSA-N	-1	1	328.199	3.092	10	70		EGIEMM
Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(Cl)cc1F	ZINC000159828955	455408406	/nfs/dbraw/zinc/40/84/06/455408406.db2.gz	WYLRFIMGJLSDDN-UHFFFAOYSA-N	-1	1	331.800	3.435	10	70		EGIEMM
Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)n2)o1	ZINC000160210091	455438475	/nfs/dbraw/zinc/43/84/75/455438475.db2.gz	ZOUKLZJTKHNNPW-CMPLNLGQSA-N	-1	1	344.321	3.394	10	70		EGIEMM
Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2[O-])n[nH]1	ZINC000161287525	455555561	/nfs/dbraw/zinc/55/55/61/455555561.db2.gz	IKOBPPQHVJBVSR-SSDOTTSWSA-N	-1	1	328.199	3.092	10	70		EGIEMM
O=S(=O)([N-]c1cccc(OCCF)c1)c1cccc2ncccc21	ZINC000161187971	307899821	/nfs/dbraw/zinc/89/98/21/307899821.db2.gz	GUDVCPKFTIDKCL-UHFFFAOYSA-N	-1	1	346.383	3.384	10	70		EGIEMM