smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)s1	ZINC000159651681	531790540	/nfs/dbraw/zinc/79/05/40/531790540.db2.gz	VZJOPOIWMAXJEI-UHFFFAOYSA-N	0	2	377.289	2.476	20	70		GEIDLN
CNC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1	ZINC000159923934	531799222	/nfs/dbraw/zinc/79/92/22/531799222.db2.gz	FOWDBPVXSIYBCI-UHFFFAOYSA-N	0	2	380.476	2.427	20	70		GEIDLN
CCn1cc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cn1	ZINC000160085184	531806044	/nfs/dbraw/zinc/80/60/44/531806044.db2.gz	YHNOCHDMJKLIAL-UHFFFAOYSA-N	0	2	379.467	2.155	20	70		GEIDLN
O=C1NCCc2ccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)cc21	ZINC000159930667	531800061	/nfs/dbraw/zinc/80/00/61/531800061.db2.gz	RCMYGLKDOXISQB-UHFFFAOYSA-N	0	2	392.487	2.353	20	70		GEIDLN
CCCCn1ncc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1C	ZINC000160174661	531807507	/nfs/dbraw/zinc/80/75/07/531807507.db2.gz	QBGMIONKMBZERL-UHFFFAOYSA-N	0	2	389.474	2.335	20	70		GEIDLN
C[C@@H](NC(=O)c1nc(=O)[nH][nH]1)c1nc(-c2ccc(Br)cc2)cs1	ZINC000160622633	531813336	/nfs/dbraw/zinc/81/33/36/531813336.db2.gz	ZFWAFDLWNIXVKB-SSDOTTSWSA-N	0	2	394.254	2.475	20	70		GEIDLN
C[C@H](NC(=O)c1nc(=O)[nH][nH]1)c1nc(-c2ccc(Br)cc2)cs1	ZINC000160622501	531812018	/nfs/dbraw/zinc/81/20/18/531812018.db2.gz	ZFWAFDLWNIXVKB-ZETCQYMHSA-N	0	2	394.254	2.475	20	70		GEIDLN
CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nnc(-c2ccccn2)s1	ZINC000159654718	531789809	/nfs/dbraw/zinc/78/98/09/531789809.db2.gz	ZWUULJPTJDIECS-UHFFFAOYSA-N	0	2	378.483	2.259	20	70		GEIDLN
Cc1cccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1Br	ZINC000160764593	531817416	/nfs/dbraw/zinc/81/74/16/531817416.db2.gz	AATVFDCINITCKW-UHFFFAOYSA-N	0	2	391.272	2.233	20	70		GEIDLN
CCCCc1cc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[nH]n1	ZINC000159965620	531799281	/nfs/dbraw/zinc/79/92/81/531799281.db2.gz	QNDUBVJMOLGQRR-UHFFFAOYSA-N	0	2	375.447	2.096	20	70		GEIDLN
CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccn(C)n2)c1	ZINC000160000961	531801805	/nfs/dbraw/zinc/80/18/05/531801805.db2.gz	OGWZKMVZUBKLLK-UHFFFAOYSA-N	0	2	388.243	2.160	20	70		GEIDLN
COCCn1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1	ZINC000160056929	531804301	/nfs/dbraw/zinc/80/43/01/531804301.db2.gz	FRGHSRFBAZHNAH-UHFFFAOYSA-N	0	2	396.213	2.371	20	70		GEIDLN
CCCCn1ncc(NS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1C	ZINC000160183873	531807542	/nfs/dbraw/zinc/80/75/42/531807542.db2.gz	NWEKOGIYUNRXHL-UHFFFAOYSA-N	0	2	385.511	2.337	20	70		GEIDLN
CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1C	ZINC000160189010	531808713	/nfs/dbraw/zinc/80/87/13/531808713.db2.gz	VFLFTVQKTQTVRS-UHFFFAOYSA-N	0	2	383.495	2.122	20	70		GEIDLN
Cc1cc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)ccc1Br	ZINC000160764723	531817510	/nfs/dbraw/zinc/81/75/10/531817510.db2.gz	NJVBMYGYFWRCGO-UHFFFAOYSA-N	0	2	391.272	2.233	20	70		GEIDLN
CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccncc2)c(F)c1Cl	ZINC000159519152	531786269	/nfs/dbraw/zinc/78/62/69/531786269.db2.gz	MOZSZSOIRYDPOV-UHFFFAOYSA-N	0	2	375.784	2.450	20	70		GEIDLN
CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cnn(C)c2)c1	ZINC000160049450	531804354	/nfs/dbraw/zinc/80/43/54/531804354.db2.gz	NGMVSIXJMSZLGE-UHFFFAOYSA-N	0	2	388.243	2.160	20	70		GEIDLN