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+](CCc1nccs1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000159406728	535758948	/nfs/dbraw/zinc/75/89/48/535758948.db2.gz	QIZFUDZTGDIHAT-UHFFFAOYSA-N	1	1	351.432	-0.130	20	70		FBIDMO
CC[N@H+](CCc1nccs1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000159406728	535758942	/nfs/dbraw/zinc/75/89/42/535758942.db2.gz	QIZFUDZTGDIHAT-UHFFFAOYSA-N	1	1	351.432	-0.130	20	70		FBIDMO
CCN1CCN(C(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1	ZINC000159425711	243200804	/nfs/dbraw/zinc/20/08/04/243200804.db2.gz	DGSOJORREPIZIG-NVXWUHKLSA-N	1	1	365.522	-0.047	20	70		FBIDMO
CCN1CCN(C(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1	ZINC000159425868	535635476	/nfs/dbraw/zinc/63/54/76/535635476.db2.gz	DGSOJORREPIZIG-DOTOQJQBSA-N	1	1	365.522	-0.047	20	70		FBIDMO
Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1	ZINC000159732648	484252286	/nfs/dbraw/zinc/25/22/86/484252286.db2.gz	VJSYQSCJQUQRTQ-CQSZACIVSA-N	1	1	373.461	-0.141	20	70		FBIDMO
Cn1c2ncn(CCSCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O	ZINC000159758744	243202168	/nfs/dbraw/zinc/20/21/68/243202168.db2.gz	DPIPAVCCHOPQIO-UHFFFAOYSA-N	1	1	353.448	-0.501	20	70		FBIDMO
Cn1cnc2c1c(=O)n(CCCSCC[NH+]1CCOCC1)c(=O)n2C	ZINC000160044013	243200552	/nfs/dbraw/zinc/20/05/52/243200552.db2.gz	FXGQKXWHAKQAKH-UHFFFAOYSA-N	1	1	367.475	-0.111	20	70		FBIDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1ccc(=O)n(C)c1=O	ZINC000160114676	243198209	/nfs/dbraw/zinc/19/82/09/243198209.db2.gz	RMPQQIILOFCQMF-UHFFFAOYSA-N	1	1	352.435	-0.636	20	70		FBIDMO
CN(C)S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCN(C)CC2)co1	ZINC000160193849	243199965	/nfs/dbraw/zinc/19/99/65/243199965.db2.gz	WQRUIKOQCOVTCG-UHFFFAOYSA-N	1	1	358.464	-0.103	20	70		FBIDMO
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1	ZINC000160277303	534430217	/nfs/dbraw/zinc/43/02/17/534430217.db2.gz	MBKTUIPQEZRLFR-CQSZACIVSA-N	1	1	350.463	-0.086	20	70		FBIDMO
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1	ZINC000160277428	534429698	/nfs/dbraw/zinc/42/96/98/534429698.db2.gz	MBKTUIPQEZRLFR-AWEZNQCLSA-N	1	1	350.463	-0.086	20	70		FBIDMO
CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000160292181	243200704	/nfs/dbraw/zinc/20/07/04/243200704.db2.gz	DOWLRFVGTUNKEO-GFCCVEGCSA-N	1	1	358.464	-0.517	20	70		FBIDMO
C[NH+](C)CCN1CCC(CNC(=O)c2ccnc3c(C(N)=O)cnn32)CC1	ZINC000160422619	243199442	/nfs/dbraw/zinc/19/94/42/243199442.db2.gz	AFKBTNKBLQUJIS-UHFFFAOYSA-N	1	1	373.461	-0.168	20	70		FBIDMO
CN(CC(=O)N1CCOCC1)C(=O)C[NH+]1CCC(c2cnn(C)c2)CC1	ZINC000160634573	243201774	/nfs/dbraw/zinc/20/17/74/243201774.db2.gz	ACYXUJQSFRVKDJ-UHFFFAOYSA-N	1	1	363.462	-0.083	20	70		FBIDMO
CN(CC(=O)N1CCOCC1)C(=O)C[NH+]1CCC(c2ccnn2C)CC1	ZINC000160651667	243200793	/nfs/dbraw/zinc/20/07/93/243200793.db2.gz	WOJVWUFQXGVMQU-UHFFFAOYSA-N	1	1	363.462	-0.083	20	70		FBIDMO
NC(=O)[C@H]1CC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)O1	ZINC000161180403	484299571	/nfs/dbraw/zinc/29/95/71/484299571.db2.gz	QCGFTHYDXUSHSQ-DLBZAZTESA-N	1	1	360.458	-0.047	20	70		FBIDMO
NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)O1	ZINC000161180527	484298729	/nfs/dbraw/zinc/29/87/29/484298729.db2.gz	QCGFTHYDXUSHSQ-IAGOWNOFSA-N	1	1	360.458	-0.047	20	70		FBIDMO
NC(=O)[C@@H]1CC[C@@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)O1	ZINC000161180649	484298324	/nfs/dbraw/zinc/29/83/24/484298324.db2.gz	QCGFTHYDXUSHSQ-IRXDYDNUSA-N	1	1	360.458	-0.047	20	70		FBIDMO
NC(=O)[C@@H]1CC[C@H](CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)O1	ZINC000161180764	484300774	/nfs/dbraw/zinc/30/07/74/484300774.db2.gz	QCGFTHYDXUSHSQ-SJORKVTESA-N	1	1	360.458	-0.047	20	70		FBIDMO