smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216821391	571598994	/nfs/dbraw/zinc/59/89/94/571598994.db2.gz	UVFPNCBDGZFWLY-DEOSSOPVSA-N	-1	3	607.154	2.813	40	70		KFIBHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216821432	571599072	/nfs/dbraw/zinc/59/90/72/571599072.db2.gz	UVFPNCBDGZFWLY-XMMPIXPASA-N	-1	3	607.154	2.813	40	70		KFIBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216831225	571599756	/nfs/dbraw/zinc/59/97/56/571599756.db2.gz	WLNUWYRDKNAQMG-UHFFFAOYSA-N	-1	3	558.682	2.749	40	70		KFIBHM
CN1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)CC1	ZINC000216831319	571599737	/nfs/dbraw/zinc/59/97/37/571599737.db2.gz	ZJGSOAJGKVSWOT-UHFFFAOYSA-N	-1	3	508.600	2.893	40	70		KFIBHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216831668	571599789	/nfs/dbraw/zinc/59/97/89/571599789.db2.gz	UAHJFZNFDRRCFC-UHFFFAOYSA-N	-1	3	558.682	2.749	40	70		KFIBHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216831955	571599734	/nfs/dbraw/zinc/59/97/34/571599734.db2.gz	LWPVUXIENVIWLH-UHFFFAOYSA-N	-1	3	558.682	2.749	40	70		KFIBHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216832192	571599774	/nfs/dbraw/zinc/59/97/74/571599774.db2.gz	WCINPXWSMMRBQH-UHFFFAOYSA-N	-1	3	538.626	2.901	40	70		KFIBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)cc1	ZINC000216832553	571599698	/nfs/dbraw/zinc/59/96/98/571599698.db2.gz	IVSQPVSZAGVICY-UHFFFAOYSA-N	-1	3	588.708	2.840	40	70		KFIBHM
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cc2)CC1	ZINC000216833015	571600069	/nfs/dbraw/zinc/60/00/69/571600069.db2.gz	QEJDWZDECNXOGC-UHFFFAOYSA-N	-1	3	562.645	2.580	40	70		KFIBHM
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cc2)c1	ZINC000216833876	571599989	/nfs/dbraw/zinc/59/99/89/571599989.db2.gz	CUQLIYTXQUVXJK-UHFFFAOYSA-N	-1	3	538.626	2.901	40	70		KFIBHM
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216836510	571599945	/nfs/dbraw/zinc/59/99/45/571599945.db2.gz	LMHUNDCMLPIDGD-UHFFFAOYSA-N	-1	3	558.682	2.749	40	70		KFIBHM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216836805	571600249	/nfs/dbraw/zinc/60/02/49/571600249.db2.gz	CIGOSNVLWHYRFU-UHFFFAOYSA-N	-1	3	576.672	2.889	40	70		KFIBHM
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1[O-]	ZINC000217988455	571602955	/nfs/dbraw/zinc/60/29/55/571602955.db2.gz	KGVVIKQKTALVIT-CZTZKLFOSA-N	-1	3	594.617	2.764	40	70		KFIBHM
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1[O-]	ZINC000217988544	571603064	/nfs/dbraw/zinc/60/30/64/571603064.db2.gz	KGVVIKQKTALVIT-DWLFOUALSA-N	-1	3	594.617	2.764	40	70		KFIBHM