smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216911322	568153391	/nfs/dbraw/zinc/15/33/91/568153391.db2.gz	JRYDNIYPOVTXJE-CQSZACIVSA-N	1	1	351.472	1.168	40	70		FDIBMO
CSc1nc(Nc2ccc(C(N)=O)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216852542	526214250	/nfs/dbraw/zinc/21/42/50/526214250.db2.gz	ZXAOFGNDNVJYPS-UHFFFAOYSA-N	1	1	358.471	1.793	40	70		FDIBMO
COc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217436754	568183848	/nfs/dbraw/zinc/18/38/48/568183848.db2.gz	SYUDRJAFDXATKU-BBWFWOEESA-N	1	1	370.449	1.716	40	70		FDIBMO
Cc1ccn2c(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)nc2c1	ZINC000217560347	537455125	/nfs/dbraw/zinc/45/51/25/537455125.db2.gz	GMVQCIQHXPGFRJ-JKSUJKDBSA-N	1	1	362.433	1.784	40	70		FDIBMO
O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)nc2sccn21	ZINC000217560947	537455382	/nfs/dbraw/zinc/45/53/82/537455382.db2.gz	XIGIBFSEBMFGPF-QWHCGFSZSA-N	1	1	354.435	1.537	40	70		FDIBMO
COc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217436652	568183832	/nfs/dbraw/zinc/18/38/32/568183832.db2.gz	SYUDRJAFDXATKU-GVDBMIGSSA-N	1	1	370.449	1.716	40	70		FDIBMO
Cc1cccc2nc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)n12	ZINC000217565456	537455577	/nfs/dbraw/zinc/45/55/77/537455577.db2.gz	STGIABNFCMGRCU-JKSUJKDBSA-N	1	1	362.433	1.784	40	70		FDIBMO
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216915813	568153924	/nfs/dbraw/zinc/15/39/24/568153924.db2.gz	QGUPUCQGJHSXTI-ZDUSSCGKSA-N	1	1	369.487	1.662	40	70		FDIBMO
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216915782	568153804	/nfs/dbraw/zinc/15/38/04/568153804.db2.gz	QGUPUCQGJHSXTI-CYBMUJFWSA-N	1	1	369.487	1.662	40	70		FDIBMO
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216911352	568153401	/nfs/dbraw/zinc/15/34/01/568153401.db2.gz	JRYDNIYPOVTXJE-AWEZNQCLSA-N	1	1	351.472	1.168	40	70		FDIBMO
C[NH+]1CCN(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1	ZINC000216943665	523873300	/nfs/dbraw/zinc/87/33/00/523873300.db2.gz	RMLGODPKPHPYQM-UHFFFAOYSA-N	1	1	367.515	1.524	40	70		FDIBMO