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@@H](C[NH3+])C1CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000159965537	373393764	/nfs/dbraw/zinc/39/37/64/373393764.db2.gz	HLYRDNVQYFLCCK-VIFPVBQESA-N	1	0	316.383	-1.558	20	70		DAIDRO
CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000159965659	277001884	/nfs/dbraw/zinc/00/18/84/277001884.db2.gz	HLYRDNVQYFLCCK-SECBINFHSA-N	1	0	316.383	-1.558	20	70		DAIDRO
C[NH2+][C@@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC000160476623	522390173	/nfs/dbraw/zinc/39/01/73/522390173.db2.gz	HEBCNAGSPOAAHB-SECBINFHSA-N	1	0	320.353	-1.746	20	70		DAIDRO
Cn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)[NH3+])c(=O)n2C	ZINC000159931274	527496021	/nfs/dbraw/zinc/49/60/21/527496021.db2.gz	OEIOUMMFGUIUES-UHFFFAOYSA-N	1	0	308.342	-1.713	20	70		DAIDRO
C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1	ZINC000160752698	373058715	/nfs/dbraw/zinc/05/87/15/373058715.db2.gz	ZQUCXGRPAJHYPF-UONOGXRCSA-N	1	0	324.425	-1.013	20	70		DAIDRO
C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1	ZINC000160752833	373057378	/nfs/dbraw/zinc/05/73/78/373057378.db2.gz	ZQUCXGRPAJHYPF-KBPBESRZSA-N	1	0	324.425	-1.013	20	70		DAIDRO
C[NH2+][C@H]1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C1	ZINC000160476753	522501569	/nfs/dbraw/zinc/50/15/69/522501569.db2.gz	HEBCNAGSPOAAHB-VIFPVBQESA-N	1	0	320.353	-1.746	20	70		DAIDRO
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH2+]CC1	ZINC000159440973	372881544	/nfs/dbraw/zinc/88/15/44/372881544.db2.gz	ASJDSNLKXUOUFV-SECBINFHSA-N	1	0	301.372	-1.481	20	70		DAIDRO
C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1	ZINC000160752594	373058044	/nfs/dbraw/zinc/05/80/44/373058044.db2.gz	ZQUCXGRPAJHYPF-KGLIPLIRSA-N	1	0	324.425	-1.013	20	70		DAIDRO
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH2+]CC1	ZINC000159440843	372881986	/nfs/dbraw/zinc/88/19/86/372881986.db2.gz	ASJDSNLKXUOUFV-VIFPVBQESA-N	1	0	301.372	-1.481	20	70		DAIDRO
C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1	ZINC000160752460	373058132	/nfs/dbraw/zinc/05/81/32/373058132.db2.gz	ZQUCXGRPAJHYPF-ZIAGYGMSSA-N	1	0	324.425	-1.013	20	70		DAIDRO
Cc1nc(S(=O)(=O)NCCC(=O)N2CC[NH2+]CC2)cn1C	ZINC000159420463	372881189	/nfs/dbraw/zinc/88/11/89/372881189.db2.gz	OTLHXAZYHCYRTG-UHFFFAOYSA-N	1	0	315.399	-1.171	20	70		DAIDRO