smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003934112	552423029	/nfs/dbraw/zinc/42/30/29/552423029.db2.gz	NTEDOEBWPRVVSG-XUXIUFHCSA-N	0	0	587.591	-5.678	20	0		KAADRN
Cn1c2ncn(CC(=O)N3CCN(C(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)CC3)c2c(=O)n(C)c1=O	ZINC000514292527	1066203956	/nfs/dbraw/zinc/20/39/56/1066203956.db2.gz	NKFBCXBZFUSKNE-UHFFFAOYSA-N	0	0	526.514	-3.448	20	0		KAADRN
Cn1cnc2c1c(=O)n(CC(=O)N1CCN(S(=O)(=O)c3cccc4nsnc43)CC1)c(=O)n2C	ZINC000514295130	1066203791	/nfs/dbraw/zinc/20/37/91/1066203791.db2.gz	HBAYTQMESAFIBR-UHFFFAOYSA-N	0	0	504.554	-1.029	20	0		KAADRN
O=C(CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)N1CCOCC1	ZINC000514299437	1066203877	/nfs/dbraw/zinc/20/38/77/1066203877.db2.gz	GEXADSODUGJCCA-UHFFFAOYSA-N	0	0	502.615	-1.127	20	0		KAADRN
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1	ZINC000514300374	1066203982	/nfs/dbraw/zinc/20/39/82/1066203982.db2.gz	MSOQGKIVJOEYLN-UHFFFAOYSA-N	0	0	506.541	-1.016	20	0		KAADRN
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1	ZINC000514387884	1066203969	/nfs/dbraw/zinc/20/39/69/1066203969.db2.gz	NCDYNKSMLGNMIF-UHFFFAOYSA-N	0	0	510.554	-1.185	20	0		KAADRN
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)cc1	ZINC000514391806	1066203816	/nfs/dbraw/zinc/20/38/16/1066203816.db2.gz	OQZLJFFWBDFBFG-UHFFFAOYSA-N	0	0	537.639	-1.079	20	0		KAADRN
COc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000514392831	1066203931	/nfs/dbraw/zinc/20/39/31/1066203931.db2.gz	DLZLEMKQDXECTF-UHFFFAOYSA-N	0	0	524.596	-1.212	20	0		KAADRN
CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000514392972	1066203898	/nfs/dbraw/zinc/20/38/98/1066203898.db2.gz	JGGCJQLQVCBVQT-GOSISDBHSA-N	0	0	565.070	-1.049	20	0		KAADRN
CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000514392973	1066203949	/nfs/dbraw/zinc/20/39/49/1066203949.db2.gz	JGGCJQLQVCBVQT-SFHVURJKSA-N	0	0	565.070	-1.049	20	0		KAADRN
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1	ZINC000514393015	1066203834	/nfs/dbraw/zinc/20/38/34/1066203834.db2.gz	KSQGKZQPUQHVRZ-UHFFFAOYSA-N	0	0	523.612	-1.024	20	0		KAADRN
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)CC1	ZINC000514401169	1066203851	/nfs/dbraw/zinc/20/38/51/1066203851.db2.gz	OBYIXUUXUUVHKM-UHFFFAOYSA-N	0	0	564.776	-1.278	20	0		KAADRN
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)cc1	ZINC000514404062	1066203914	/nfs/dbraw/zinc/20/39/14/1066203914.db2.gz	XIKCXFDKYVQBGM-UHFFFAOYSA-N	0	0	523.612	-1.469	20	0		KAADRN