smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1nccs1	ZINC000159937102	565224735	/nfs/dbraw/zinc/22/47/35/565224735.db2.gz	ORBXCZWLZZQBTC-LLVKDONJSA-N	-1	1	391.877	3.324	10	70		GGIEMM
CCCCc1cc([N-]S(=O)(=O)c2cc(Br)ccc2OC)n[nH]1	ZINC000159956936	565225119	/nfs/dbraw/zinc/22/51/19/565225119.db2.gz	DBRQMUHLHGTIOD-UHFFFAOYSA-N	-1	1	388.287	3.324	10	70		GGIEMM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O	ZINC000161053614	565271102	/nfs/dbraw/zinc/27/11/02/565271102.db2.gz	FHTIJYFVALGMKD-UHFFFAOYSA-N	-1	1	391.873	3.133	10	70		GGIEMM
O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1c(Cl)cccc1C(F)(F)F	ZINC000161060458	565271767	/nfs/dbraw/zinc/27/17/67/565271767.db2.gz	YXGZYYABOLTKQK-LBPRGKRZSA-N	-1	1	393.814	3.241	10	70		GGIEMM
COc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1Br	ZINC000161285505	565280314	/nfs/dbraw/zinc/28/03/14/565280314.db2.gz	QFYUKDYOHZGMQA-UHFFFAOYSA-N	-1	1	376.203	3.103	10	70		GGIEMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)cc1CC	ZINC000160187730	565234942	/nfs/dbraw/zinc/23/49/42/565234942.db2.gz	XTXUQHJQGUWKKH-UHFFFAOYSA-N	-1	1	381.519	3.324	10	70		GGIEMM
O=S(=O)([N-]Cc1cscn1)c1c(Cl)cc(F)cc1Br	ZINC000160398425	565243723	/nfs/dbraw/zinc/24/37/23/565243723.db2.gz	KUDOGZXFSRFPRL-UHFFFAOYSA-N	-1	1	385.667	3.177	10	70		GGIEMM
CN(Cc1ccc(F)cc1)C(=O)c1cc(I)ccc1[O-]	ZINC000217433103	565896980	/nfs/dbraw/zinc/89/69/80/565896980.db2.gz	NHLLHNHBFZGBPL-UHFFFAOYSA-N	-1	1	385.176	3.408	10	70		GGIEMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1	ZINC000159935455	565225439	/nfs/dbraw/zinc/22/54/39/565225439.db2.gz	BITNCBCXEOYZJQ-SNVBAGLBSA-N	-1	1	379.276	3.474	10	70		GGIEMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)c1nccs1	ZINC000159935331	565225487	/nfs/dbraw/zinc/22/54/87/565225487.db2.gz	BITNCBCXEOYZJQ-JTQLQIEISA-N	-1	1	379.276	3.474	10	70		GGIEMM
CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)c1nccs1	ZINC000159937001	565225474	/nfs/dbraw/zinc/22/54/74/565225474.db2.gz	ORBXCZWLZZQBTC-NSHDSACASA-N	-1	1	391.877	3.324	10	70		GGIEMM
CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c1	ZINC000161048684	565271066	/nfs/dbraw/zinc/27/10/66/565271066.db2.gz	MDQVGZYLPNGATB-UHFFFAOYSA-N	-1	1	385.482	3.295	10	70		GGIEMM