smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=Nc2[nH]c3nnc(C)n3c(=O)c2S(=O)(=O)NN=Cc2ccc(Cl)cc2)cc1	ZINC000043064798	563165984	/nfs/dbraw/zinc/16/59/84/563165984.db2.gz	XPPXNOPQHRTIKW-ASIDMNOUSA-N	0	2	499.940	2.451	1	30		JEEFLN
C[C@H](C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)C(O)=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000027554919	563046269	/nfs/dbraw/zinc/04/62/69/563046269.db2.gz	GCVZBRULNGAXOG-LLVKDONJSA-N	0	2	456.864	2.247	1	30		JEEFLN
CNC(O)=NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC	ZINC000001484262	562920199	/nfs/dbraw/zinc/92/01/99/562920199.db2.gz	YFONVZWQVIAOKI-UHFFFAOYSA-N	0	2	455.920	2.152	1	30		JEEFLN
C#Cc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(=O)(=O)NC(=S)NC	ZINC000013558428	562974336	/nfs/dbraw/zinc/97/43/36/562974336.db2.gz	YGYLRCBZYBJUNY-UHFFFAOYSA-N	0	2	465.984	2.085	1	30		JEEFLN
C[C@H](C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])C(O)=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000026295219	563025883	/nfs/dbraw/zinc/02/58/83/563025883.db2.gz	YYVYYZKXBIBOOF-LLVKDONJSA-N	0	2	456.864	2.247	1	30		JEEFLN
COC(=O)[C@]12Oc3cc4c(c(OC)c3C(=O)C1C(=O)CC[C@@H]2O)-c1cccc2c(=O)on(c21)C4	ZINC000040901475	563154828	/nfs/dbraw/zinc/15/48/28/563154828.db2.gz	MJRRKQPWEJXMKV-IZHWHUGBSA-N	0	2	465.414	2.086	1	30		JEEFLN
CCO/N=C/c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1	ZINC000049068460	563200947	/nfs/dbraw/zinc/20/09/47/563200947.db2.gz	NAQUHNRQGIGGGD-YSURURNPSA-N	0	2	469.477	2.372	1	30		JEEFLN
CCOC(=O)c1cnc(N2CCN(C(O)=NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1	ZINC000035820889	563120465	/nfs/dbraw/zinc/12/04/65/563120465.db2.gz	PHZXEFQHQGATEP-UHFFFAOYSA-N	0	2	452.920	2.337	1	30		JEEFLN
CCSc1c(O)c2c(c(O)c1SCC)[C@H](CO)N1[C@@H](C#N)[C@@H]3C[C@@H](C(=O)[O-])[C@H]([C@@H]1C2)[N@H+]3C	ZINC000029574179	563107835	/nfs/dbraw/zinc/10/78/35/563107835.db2.gz	UQJQRFYZFWIANF-WSRVUTDQSA-N	0	2	479.624	2.261	1	30		JEEFLN
CCSc1c(O)c2c(c(O)c1SCC)[C@H](CO)N1[C@@H](C#N)[C@@H]3C[C@@H](C(=O)[O-])[C@H]([C@@H]1C2)[N@@H+]3C	ZINC000029574179	563107836	/nfs/dbraw/zinc/10/78/36/563107836.db2.gz	UQJQRFYZFWIANF-WSRVUTDQSA-N	0	2	479.624	2.261	1	30		JEEFLN
CCOC(=O)c1cc(C#N)c(N2CCN(C(O)=NS(=O)(=O)Cc3ccccc3)CC2)nc1C	ZINC000034844182	563116829	/nfs/dbraw/zinc/11/68/29/563116829.db2.gz	PRVVDXMDRTTWIS-UHFFFAOYSA-N	0	2	471.539	2.004	1	30		JEEFLN
CCSc1c(O)c2c(c(O)c1SCC)[C@H](CO)N1[C@H](C#N)[C@@H]3C[C@@H](C(=O)[O-])[C@H]([C@@H]1C2)[N@H+]3C	ZINC000040656133	563147302	/nfs/dbraw/zinc/14/73/02/563147302.db2.gz	UQJQRFYZFWIANF-WWJWCPLUSA-N	0	2	479.624	2.261	1	30		JEEFLN
CCSc1c(O)c2c(c(O)c1SCC)[C@H](CO)N1[C@H](C#N)[C@@H]3C[C@@H](C(=O)[O-])[C@H]([C@@H]1C2)[N@@H+]3C	ZINC000040656133	563147303	/nfs/dbraw/zinc/14/73/03/563147303.db2.gz	UQJQRFYZFWIANF-WWJWCPLUSA-N	0	2	479.624	2.261	1	30		JEEFLN
CCOC(=O)c1cc(C#N)c(N2CCC(NC(O)=NS(=O)(=O)Cc3ccccc3)CC2)nc1C	ZINC000034844181	563116799	/nfs/dbraw/zinc/11/67/99/563116799.db2.gz	XBDVSNZJEZABEP-UHFFFAOYSA-N	0	2	485.566	2.441	1	30		JEEFLN
CNC(O)=NS(=O)(=O)c1cc2c(cc1OC)OCC[C@H]2CNC(=O)c1cc(Cl)ccc1OC	ZINC000002005520	562924499	/nfs/dbraw/zinc/92/44/99/562924499.db2.gz	DPISPFXNRFHGGE-LBPRGKRZSA-N	0	2	497.957	2.475	1	30		JEEFLN
CNC(O)=NS(=O)(=O)c1cc2c(cc1OC)OCC[C@@H]2CNC(=O)c1cc(Cl)ccc1OC	ZINC000004394313	562933308	/nfs/dbraw/zinc/93/33/08/562933308.db2.gz	DPISPFXNRFHGGE-GFCCVEGCSA-N	0	2	497.957	2.475	1	30		JEEFLN
C[C@@H](C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])C(O)=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000013863195	563003252	/nfs/dbraw/zinc/00/32/52/563003252.db2.gz	YYVYYZKXBIBOOF-NSHDSACASA-N	0	2	456.864	2.247	1	30		JEEFLN
C[C@@H](C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)C(O)=NS(=O)(=O)c1ccc(Cl)cc1	ZINC000027554921	563046256	/nfs/dbraw/zinc/04/62/56/563046256.db2.gz	GCVZBRULNGAXOG-NSHDSACASA-N	0	2	456.864	2.247	1	30		JEEFLN