smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000159812834	530546787	/nfs/dbraw/zinc/54/67/87/530546787.db2.gz	AYRYKPPTGHBMAR-AWEZNQCLSA-N	1	0	388.559	1.494	10	70		GDIERO
O=C(NCC1CC[NH+](CCO)CC1)c1ccc(I)cc1	ZINC000160718177	530554244	/nfs/dbraw/zinc/55/42/44/530554244.db2.gz	UXDMAVAQUAPUQO-UHFFFAOYSA-N	1	0	388.249	1.725	10	70		GDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1	ZINC000161408539	530559444	/nfs/dbraw/zinc/55/94/44/530559444.db2.gz	MSIQMBNDGBMRFG-OCCSQVGLSA-N	1	0	380.539	1.834	10	70		GDIERO
CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1	ZINC000161236809	530557990	/nfs/dbraw/zinc/55/79/90/530557990.db2.gz	QEKWTJSHMSGROV-XEZPLFJOSA-N	1	0	387.933	1.852	10	70		GDIERO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(F)cc(F)cc2F)CC1	ZINC000161458057	530560162	/nfs/dbraw/zinc/56/01/62/530560162.db2.gz	KABPPKWYBXKMCQ-LLVKDONJSA-N	1	0	380.432	1.817	10	70		GDIERO
Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cnc1Cl	ZINC000161435956	530560298	/nfs/dbraw/zinc/56/02/98/530560298.db2.gz	HDQDJWOFHFQELK-CYBMUJFWSA-N	1	0	375.922	1.757	10	70		GDIERO
CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1	ZINC000160283705	530550315	/nfs/dbraw/zinc/55/03/15/530550315.db2.gz	JZSCYPPERIURPG-OAHLLOKOSA-N	1	0	387.571	1.825	10	70		GDIERO
CC[N@@H+]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000159735521	530545724	/nfs/dbraw/zinc/54/57/24/530545724.db2.gz	AVKUVSNRMUKDLL-LLVKDONJSA-N	1	0	394.950	1.463	10	70		GDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000161414686	530560444	/nfs/dbraw/zinc/56/04/44/530560444.db2.gz	XELIVKFBXKTQLE-MNOVXSKESA-N	1	0	379.935	1.525	10	70		GDIERO
CC(C)[N@H+]1C[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)[C@@H](C)C1	ZINC000161408669	530559272	/nfs/dbraw/zinc/55/92/72/530559272.db2.gz	MSIQMBNDGBMRFG-JSGCOSHPSA-N	1	0	380.539	1.834	10	70		GDIERO
CC[N@@H+]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000159735361	530546159	/nfs/dbraw/zinc/54/61/59/530546159.db2.gz	AVKUVSNRMUKDLL-NSHDSACASA-N	1	0	394.950	1.463	10	70		GDIERO
O=C(NCC1CC[NH+](CCO)CC1)c1ccccc1I	ZINC000160696922	530553609	/nfs/dbraw/zinc/55/36/09/530553609.db2.gz	KWVLKBMRQYPKOV-UHFFFAOYSA-N	1	0	388.249	1.725	10	70		GDIERO
Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cnc1Cl	ZINC000161436088	530560565	/nfs/dbraw/zinc/56/05/65/530560565.db2.gz	HDQDJWOFHFQELK-ZDUSSCGKSA-N	1	0	375.922	1.757	10	70		GDIERO
CC[NH+](CC)[C@@H](C)CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1	ZINC000159598850	530544587	/nfs/dbraw/zinc/54/45/87/530544587.db2.gz	YNJMRMNYCWJATB-NSHDSACASA-N	1	0	396.966	1.709	10	70		GDIERO
O=C(NCC1CC[NH+](CCO)CC1)c1csc(I)c1	ZINC000160679854	530554025	/nfs/dbraw/zinc/55/40/25/530554025.db2.gz	SFXBZRGADHPTDX-UHFFFAOYSA-N	1	0	394.278	1.787	10	70		GDIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000160268914	530550177	/nfs/dbraw/zinc/55/01/77/530550177.db2.gz	XWTIKGKMIHHALA-MRXNPFEDSA-N	1	0	388.555	1.630	10	70		GDIERO
O=C(NCC1CC[NH+](CCO)CC1)c1cccc(I)c1	ZINC000160718860	530554322	/nfs/dbraw/zinc/55/43/22/530554322.db2.gz	IXWXWHYRACUVLY-UHFFFAOYSA-N	1	0	388.249	1.725	10	70		GDIERO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2c(F)cc(F)cc2F)CC1	ZINC000161457949	530560077	/nfs/dbraw/zinc/56/00/77/530560077.db2.gz	KABPPKWYBXKMCQ-NSHDSACASA-N	1	0	380.432	1.817	10	70		GDIERO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000159812696	530546499	/nfs/dbraw/zinc/54/64/99/530546499.db2.gz	AYRYKPPTGHBMAR-CQSZACIVSA-N	1	0	388.559	1.494	10	70		GDIERO
CC(C)[N@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1	ZINC000161414812	530560494	/nfs/dbraw/zinc/56/04/94/530560494.db2.gz	XELIVKFBXKTQLE-QWRGUYRKSA-N	1	0	379.935	1.525	10	70		GDIERO
O=C(NCC1CC[NH+](CCO)CC1)c1cc(Br)c2c(c1)OCCO2	ZINC000160532966	530553335	/nfs/dbraw/zinc/55/33/35/530553335.db2.gz	RLLYOEAAWVVAAP-UHFFFAOYSA-N	1	0	399.285	1.654	10	70		GDIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000161236691	530558043	/nfs/dbraw/zinc/55/80/43/530558043.db2.gz	QEKWTJSHMSGROV-WWGRRREGSA-N	1	0	387.933	1.852	10	70		GDIERO