smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccno1)N1CCc2cnc(N3CCOCC3)nc2C1	ZINC000217617785	395839131	/nfs/dbraw/zinc/83/91/31/395839131.db2.gz	HTWHRRLEZQBHNL-UHFFFAOYSA-N	0	0	315.333	0.500	40	70		DCIBRN
Cc1ncncc1-c1nnc([C@@H]2CCCN(S(C)(=O)=O)C2)o1	ZINC000216658978	257232700	/nfs/dbraw/zinc/23/27/00/257232700.db2.gz	IGFJERKNMMWCLS-SNVBAGLBSA-N	0	0	323.378	0.974	40	70		DCIBRN
Cc1ncc(-c2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)o2)cn1	ZINC000216656772	257232720	/nfs/dbraw/zinc/23/27/20/257232720.db2.gz	CCBUKARVLWTAMS-SNVBAGLBSA-N	0	0	323.378	0.974	40	70		DCIBRN
Cc1ncc(-c2nnc([C@H]3CCCN(S(C)(=O)=O)C3)o2)cn1	ZINC000216656820	257232761	/nfs/dbraw/zinc/23/27/61/257232761.db2.gz	CCBUKARVLWTAMS-JTQLQIEISA-N	0	0	323.378	0.974	40	70		DCIBRN
COC(=O)Cc1c(C)nc(SC)nc1N1CCN(C)CC1	ZINC000216845752	416327369	/nfs/dbraw/zinc/32/73/69/416327369.db2.gz	SWNMIXAEEKRJRU-UHFFFAOYSA-N	0	0	310.423	0.974	40	70		DCIBRN
CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)CC1	ZINC000216873479	395837188	/nfs/dbraw/zinc/83/71/88/395837188.db2.gz	PFDWKJROKYDPDO-UHFFFAOYSA-N	0	0	317.798	0.375	40	70		DCIBRN
Cc1ncncc1-c1nnc([C@H]2CCCN(S(C)(=O)=O)C2)o1	ZINC000216659020	257232808	/nfs/dbraw/zinc/23/28/08/257232808.db2.gz	IGFJERKNMMWCLS-JTQLQIEISA-N	0	0	323.378	0.974	40	70		DCIBRN
CN1CCN(C(=O)Cc2noc(COc3ccccc3)n2)CC1	ZINC000216845159	416327520	/nfs/dbraw/zinc/32/75/20/416327520.db2.gz	MSRIVUAYGAQGND-UHFFFAOYSA-N	0	0	316.361	0.965	40	70		DCIBRN
Cc1ncc(-c2nnc(C3CCN(S(C)(=O)=O)CC3)o2)cn1	ZINC000216636837	257232735	/nfs/dbraw/zinc/23/27/35/257232735.db2.gz	IPRLVADYZGYTAS-UHFFFAOYSA-N	0	0	323.378	0.974	40	70		DCIBRN
NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)CC1	ZINC000217993754	395841278	/nfs/dbraw/zinc/84/12/78/395841278.db2.gz	KQYZENWVEATZMR-BJHJDKERSA-N	0	0	320.397	0.203	40	70		DCIBRN
Cc1ncncc1-c1nnc(C2CCN(S(C)(=O)=O)CC2)o1	ZINC000216638184	257232676	/nfs/dbraw/zinc/23/26/76/257232676.db2.gz	VHWIEQXEPUTYFS-UHFFFAOYSA-N	0	0	323.378	0.974	40	70		DCIBRN
CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216853277	290626620	/nfs/dbraw/zinc/62/66/20/290626620.db2.gz	DPPBWLURJVUOQW-UHFFFAOYSA-N	0	0	311.407	0.291	40	70		DCIBRN