smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)c(C)s1	ZINC000160473185	206299287	/nfs/dbraw/zinc/29/92/87/206299287.db2.gz	LFZJNAAXWVISGA-UHFFFAOYSA-N	0	2	325.387	2.955	10	70		EFIELN
Cc1nc(CCNC(=O)c2c[nH]c3nc(C)ccc3c2=O)sc1C	ZINC000160091184	473087224	/nfs/dbraw/zinc/08/72/24/473087224.db2.gz	OUBIEAFDDRXQKD-UHFFFAOYSA-N	0	2	342.424	2.690	10	70		EFIELN
Cc1cc(F)ccc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000160215182	225363451	/nfs/dbraw/zinc/36/34/51/225363451.db2.gz	YHMAETMTOZEASV-UHFFFAOYSA-N	0	2	337.298	2.694	10	70		EFIELN
C[NH+](C)Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1	ZINC000160241129	473099070	/nfs/dbraw/zinc/09/90/70/473099070.db2.gz	RHGPKEWMCLZRKF-UHFFFAOYSA-N	0	2	338.455	2.542	10	70		EFIELN
Cc1cc(C[C@H](C)NC(=O)c2ccc(Br)cc2O)n[nH]1	ZINC000161243250	239067921	/nfs/dbraw/zinc/06/79/21/239067921.db2.gz	WPDGLRBGCOETMC-QMMMGPOBSA-N	0	2	338.205	2.547	10	70		EFIELN
CCc1cc(NC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)n[nH]1	ZINC000161112301	544809971	/nfs/dbraw/zinc/80/99/71/544809971.db2.gz	AFIJYVVCRLNKDZ-UHFFFAOYSA-N	0	2	329.335	2.563	10	70		EFIELN
Cc1nn(C)c(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1C	ZINC000159632058	473046052	/nfs/dbraw/zinc/04/60/52/473046052.db2.gz	UZDPHLKKVABSTJ-UHFFFAOYSA-N	0	2	331.800	2.939	10	70		EFIELN
Cc1cc(C[C@@H](C)NC(=O)c2ccc(Br)cc2O)n[nH]1	ZINC000161243134	533756035	/nfs/dbraw/zinc/75/60/35/533756035.db2.gz	WPDGLRBGCOETMC-MRVPVSSYSA-N	0	2	338.205	2.547	10	70		EFIELN
O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC000159668904	303819958	/nfs/dbraw/zinc/81/99/58/303819958.db2.gz	XTZGCQRSWDVVFO-NXEZZACHSA-N	0	2	341.376	2.922	10	70		EFIELN
O=S(=O)(Nc1cc(O)cc(F)c1)c1cnn(Cc2ccccc2)c1	ZINC000161297226	239066695	/nfs/dbraw/zinc/06/66/95/239066695.db2.gz	XRWZVUQRURRMNN-UHFFFAOYSA-N	0	2	347.371	2.577	10	70		EFIELN
Cc1cccc2c1ncnc2N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000160587027	473146338	/nfs/dbraw/zinc/14/63/38/473146338.db2.gz	ZOGUDIMZGDNLAO-UHFFFAOYSA-N	0	2	337.408	2.873	10	70		EFIELN
O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000159668632	473050056	/nfs/dbraw/zinc/05/00/56/473050056.db2.gz	XTZGCQRSWDVVFO-ZJUUUORDSA-N	0	2	341.376	2.922	10	70		EFIELN
Cc1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c(C)s1	ZINC000160276667	473104117	/nfs/dbraw/zinc/10/41/17/473104117.db2.gz	IULCQBUOSPHYES-UHFFFAOYSA-N	0	2	339.364	2.925	10	70		EFIELN
Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)n1	ZINC000160592244	473148309	/nfs/dbraw/zinc/14/83/09/473148309.db2.gz	LSVRJXDFMZYVCT-HNNXBMFYSA-N	0	2	340.471	2.776	10	70		EFIELN
Cc1cccc2[nH]c(CNC(=O)C3=NN(c4ccccc4)CC3=O)nc21	ZINC000160598273	473148797	/nfs/dbraw/zinc/14/87/97/473148797.db2.gz	LRFZXNLJZSZHOX-UHFFFAOYSA-N	0	2	347.378	2.693	10	70		EFIELN
O=C(NS(=O)(=O)c1ccsc1)[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000159668773	473049983	/nfs/dbraw/zinc/04/99/83/473049983.db2.gz	XTZGCQRSWDVVFO-UWVGGRQHSA-N	0	2	341.376	2.922	10	70		EFIELN
COc1ccsc1S(=O)(=O)Nc1ccc(N2CCCC2)nc1	ZINC000159597978	206255016	/nfs/dbraw/zinc/25/50/16/206255016.db2.gz	YRTNKRRJPIKEEP-UHFFFAOYSA-N	0	2	339.442	2.553	10	70		EFIELN
O=C(NCc1ccc(OCC2CC2)nc1)c1c(O)cc(F)cc1F	ZINC000160316421	473106426	/nfs/dbraw/zinc/10/64/26/473106426.db2.gz	WXECDWMOAAGENU-UHFFFAOYSA-N	0	2	334.322	2.784	10	70		EFIELN
Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)n1	ZINC000160592123	473147865	/nfs/dbraw/zinc/14/78/65/473147865.db2.gz	LSVRJXDFMZYVCT-OAHLLOKOSA-N	0	2	340.471	2.776	10	70		EFIELN