smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)c(Cl)c(C(=O)[O-])c2)ccc1Cl	ZINC000848456555	1067398002	/nfs/dbraw/zinc/39/80/02/1067398002.db2.gz	ILWZQKFDIWUQEB-UHFFFAOYSA-N	-2	1	483.123	4.042	20	0		JIADML
CC(C)c1oc(-c2ccccc2)nc1C(=O)[N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1	ZINC001337804271	1066512653	/nfs/dbraw/zinc/51/26/53/1066512653.db2.gz	BTYFSFWIBKZDSC-UHFFFAOYSA-N	-2	1	469.548	4.370	20	0		JIADML
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc(C)c(SC)c2)c1	ZINC001300208908	1067880355	/nfs/dbraw/zinc/88/03/55/1067880355.db2.gz	PUVVEELCXVHIOH-UHFFFAOYSA-N	-2	1	458.561	4.484	20	0		JIADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1	ZINC001321629855	1067182995	/nfs/dbraw/zinc/18/29/95/1067182995.db2.gz	ZDGBBHRFMROPJA-HNNXBMFYSA-N	-2	1	482.587	4.151	20	0		JIADML
Cc1cc(Br)cc(C)c1NC(=S)NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001200228664	1067872124	/nfs/dbraw/zinc/87/21/24/1067872124.db2.gz	BQZREVDHFSTCHL-UHFFFAOYSA-N	-2	1	455.314	4.025	20	0		JIADML
O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1nc(-c2ccccc2)oc1C1CC1	ZINC001321972992	1067235271	/nfs/dbraw/zinc/23/52/71/1067235271.db2.gz	MRBHTFRHFWRCIP-UHFFFAOYSA-N	-2	1	467.532	4.124	20	0		JIADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1	ZINC001321629856	1067183180	/nfs/dbraw/zinc/18/31/80/1067183180.db2.gz	ZDGBBHRFMROPJA-OAHLLOKOSA-N	-2	1	482.587	4.151	20	0		JIADML
Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)nc2)ccc1OCCCC(=O)[O-]	ZINC001338270273	1066542431	/nfs/dbraw/zinc/54/24/31/1066542431.db2.gz	ICLREZNGLDRMQV-UHFFFAOYSA-N	-2	1	460.483	4.366	20	0		JIADML
COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2(c3ccccc3OC)CCC2)c1	ZINC001325269224	1066242739	/nfs/dbraw/zinc/24/27/39/1066242739.db2.gz	KXEROTYGZYTQKK-UHFFFAOYSA-N	-2	1	482.558	4.271	20	0		JIADML
Cc1ccc(OCc2ccc(C(=O)[N-]c3nnc([N-]S(=O)(=O)c4ccccc4)s3)o2)c(C)c1	ZINC000507393287	1067742615	/nfs/dbraw/zinc/74/26/15/1067742615.db2.gz	UICULJWELHOLCX-UHFFFAOYSA-N	-2	1	484.559	4.380	20	0		JIADML
O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1ccc(-c2nc3ccccc3s2)o1	ZINC000515579129	1068267444	/nfs/dbraw/zinc/26/74/44/1068267444.db2.gz	HLSVLOVKOKNAEW-UHFFFAOYSA-N	-2	1	483.556	4.461	20	0		JIADML
Cc1[nH]nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])c1-c1ccccc1	ZINC000522812724	1068340951	/nfs/dbraw/zinc/34/09/51/1068340951.db2.gz	GNUDDAWXGXXZCB-UHFFFAOYSA-N	-2	1	454.533	4.205	20	0		JIADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCC(c2nc3ccccc3o2)CC1	ZINC001321629562	1067182381	/nfs/dbraw/zinc/18/23/81/1067182381.db2.gz	OTNLAMVKWRBXLX-UHFFFAOYSA-N	-2	1	483.571	4.416	20	0		JIADML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc4ccccc4s3)c2)cc1F	ZINC000509557584	1068151624	/nfs/dbraw/zinc/15/16/24/1068151624.db2.gz	LLDXARKPJDUAPM-UHFFFAOYSA-N	-2	1	473.507	4.443	20	0		JIADML
O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Br)cc(Br)c1[O-]	ZINC001335786526	1066422533	/nfs/dbraw/zinc/42/25/33/1066422533.db2.gz	PXIBNKDLMAAHQO-UHFFFAOYSA-N	-2	1	453.090	4.265	20	0		JIADML
O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1F	ZINC001318253185	1066985028	/nfs/dbraw/zinc/98/50/28/1066985028.db2.gz	ITKVJCKMOKESOL-UHFFFAOYSA-N	-2	1	457.252	4.017	20	0		JIADML
O=S(=O)([O-])c1cc(O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)cc2c1	ZINC001200132584	1067718460	/nfs/dbraw/zinc/71/84/60/1067718460.db2.gz	NTMVKPASCSHLPQ-UHFFFAOYSA-N	-2	1	463.920	4.400	20	0		JIADML