smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
FC(F)(F)c1cnc(CNC(=S)Nc2ccccc2Cl)c(Cl)c1	ZINC000098181325	205602365	/nfs/dbraw/zinc/60/23/65/205602365.db2.gz	QEHWFOASMCDNBQ-UHFFFAOYSA-N	0	0	380.222	4.894	20	10		GJCDRN
Cc1cc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(C)n1-c1cccc(C)c1	ZINC000033217773	570844646	/nfs/dbraw/zinc/84/46/46/570844646.db2.gz	WFCXQUMATQKCDY-UHFFFAOYSA-N	0	0	391.446	4.679	20	10		GJCDRN
Oc1c(Br)cc(Br)cc1CNc1ccccc1F	ZINC000072176893	211081635	/nfs/dbraw/zinc/08/16/35/211081635.db2.gz	OMKDMDJEXRPXNC-UHFFFAOYSA-N	0	0	375.035	4.668	20	10		GJCDRN
Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)c1	ZINC000006216978	204170836	/nfs/dbraw/zinc/17/08/36/204170836.db2.gz	RBBBBOFZWKUAPX-WQLSENKSSA-N	0	0	380.288	4.756	20	10		GJCDRN
COc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O	ZINC000001071190	209296513	/nfs/dbraw/zinc/29/65/13/209296513.db2.gz	WZADKFLHKUWABH-RIYZIHGNSA-N	0	0	395.864	4.599	20	10		GJCDRN
Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1	ZINC000024331107	221611473	/nfs/dbraw/zinc/61/14/73/221611473.db2.gz	NSMDDKVWNBGYAH-LJQANCHMSA-N	0	0	399.498	4.508	20	10		GJCDRN
COc1ccc(NC(=S)Nc2ccccc2C(=O)c2ccccc2)cc1OC	ZINC000017080167	221378660	/nfs/dbraw/zinc/37/86/60/221378660.db2.gz	PNCVYFYNWHHBGP-UHFFFAOYSA-N	0	0	392.480	4.744	20	10		GJCDRN
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	ZINC000018057671	221386408	/nfs/dbraw/zinc/38/64/08/221386408.db2.gz	SDWBEIDONNNUHM-GHVJWSGMSA-N	0	0	394.456	4.861	20	10		GJCDRN
[O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(F)ccc1Br	ZINC000038038985	207261394	/nfs/dbraw/zinc/26/13/94/207261394.db2.gz	VGCSIYILDMGVGO-UHFFFAOYSA-N	0	0	379.056	4.890	20	10		GJCDRN
O=C1/C(=C/c2ccc(OC(F)F)cc2)SC(=S)N1CCc1ccccc1	ZINC000020522095	221495618	/nfs/dbraw/zinc/49/56/18/221495618.db2.gz	YQXVSCWFFAKSPZ-VBKFSLOCSA-N	0	0	391.464	4.732	20	10		GJCDRN
Cc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	ZINC000005190935	209122203	/nfs/dbraw/zinc/12/22/03/209122203.db2.gz	QTDGLHCLLWQIQV-UHFFFAOYSA-N	0	0	387.460	4.501	20	10		GJCDRN
FC(F)(F)c1cnc(CNC(=S)Nc2ccc(Cl)cc2)c(Cl)c1	ZINC000098181329	208368856	/nfs/dbraw/zinc/36/88/56/208368856.db2.gz	RJDGBGVFPKINFP-UHFFFAOYSA-N	0	0	380.222	4.894	20	10		GJCDRN
Cc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1	ZINC000095590761	136182336	/nfs/dbraw/zinc/18/23/36/136182336.db2.gz	DSSCLZRDKCJCPH-UHFFFAOYSA-N	0	0	384.483	4.520	20	10		GJCDRN