smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)c1	ZINC000035422037	522845147	/nfs/dbraw/zinc/84/51/47/522845147.db2.gz	ZZSLQENNXFIZHG-IBGZPJMESA-N	2	1	446.592	1.842	10	0		IDAEMP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1	ZINC000020999090	524071098	/nfs/dbraw/zinc/07/10/98/524071098.db2.gz	XNVVUOBEBNQOFR-JOCHJYFZSA-N	2	1	428.577	1.800	10	0		IDAEMP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1	ZINC000020999090	524071101	/nfs/dbraw/zinc/07/11/01/524071101.db2.gz	XNVVUOBEBNQOFR-JOCHJYFZSA-N	2	1	428.577	1.800	10	0		IDAEMP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1	ZINC000020999090	524071103	/nfs/dbraw/zinc/07/11/03/524071103.db2.gz	XNVVUOBEBNQOFR-JOCHJYFZSA-N	2	1	428.577	1.800	10	0		IDAEMP
CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1Cl	ZINC000046140818	556691528	/nfs/dbraw/zinc/69/15/28/556691528.db2.gz	OWBMLBSTBUDAAC-UHFFFAOYSA-N	2	1	431.002	1.359	10	0		IDAEMP
COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)c1	ZINC000035422036	522843401	/nfs/dbraw/zinc/84/34/01/522843401.db2.gz	ZZSLQENNXFIZHG-LJQANCHMSA-N	2	1	446.592	1.842	10	0		IDAEMP
C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1	ZINC000065226924	569118003	/nfs/dbraw/zinc/11/80/03/569118003.db2.gz	YQKMJCHOHVFLSH-IBGZPJMESA-N	2	1	429.613	1.435	10	0		IDAEMP
C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1	ZINC000065226924	569118006	/nfs/dbraw/zinc/11/80/06/569118006.db2.gz	YQKMJCHOHVFLSH-IBGZPJMESA-N	2	1	429.613	1.435	10	0		IDAEMP
C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1	ZINC000035401450	524106441	/nfs/dbraw/zinc/10/64/41/524106441.db2.gz	PFOOKPWSNHBJEA-GOSISDBHSA-N	2	1	440.585	1.513	10	0		IDAEMP
C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1	ZINC000035401455	526248892	/nfs/dbraw/zinc/24/88/92/526248892.db2.gz	PFOOKPWSNHBJEA-SFHVURJKSA-N	2	1	440.585	1.513	10	0		IDAEMP
C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1	ZINC000065226922	569118036	/nfs/dbraw/zinc/11/80/36/569118036.db2.gz	YQKMJCHOHVFLSH-LJQANCHMSA-N	2	1	429.613	1.435	10	0		IDAEMP
C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1	ZINC000065226922	569118037	/nfs/dbraw/zinc/11/80/37/569118037.db2.gz	YQKMJCHOHVFLSH-LJQANCHMSA-N	2	1	429.613	1.435	10	0		IDAEMP
CC[NH+](CC)CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1	ZINC000064836101	568969198	/nfs/dbraw/zinc/96/91/98/568969198.db2.gz	VBOAFJXVIWIFFB-UHFFFAOYSA-N	2	1	436.560	1.663	10	0		IDAEMP
O=C(c1ccc(Cl)cc1)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CC[NH2+]CC1	ZINC000046141074	556692502	/nfs/dbraw/zinc/69/25/02/556692502.db2.gz	XUAJZXRWYLBIOW-UHFFFAOYSA-N	2	1	443.013	1.503	10	0		IDAEMP
CC[N@@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1	ZINC000046140963	569586942	/nfs/dbraw/zinc/58/69/42/569586942.db2.gz	HESJUASGNLXTPR-IBGZPJMESA-N	2	1	443.013	1.502	10	0		IDAEMP
CC[N@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1	ZINC000046140963	569586943	/nfs/dbraw/zinc/58/69/43/569586943.db2.gz	HESJUASGNLXTPR-IBGZPJMESA-N	2	1	443.013	1.502	10	0		IDAEMP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1	ZINC000020999089	524071230	/nfs/dbraw/zinc/07/12/30/524071230.db2.gz	XNVVUOBEBNQOFR-QFIPXVFZSA-N	2	1	428.577	1.800	10	0		IDAEMP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1	ZINC000020999089	524071235	/nfs/dbraw/zinc/07/12/35/524071235.db2.gz	XNVVUOBEBNQOFR-QFIPXVFZSA-N	2	1	428.577	1.800	10	0		IDAEMP
COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1	ZINC000020999089	524071236	/nfs/dbraw/zinc/07/12/36/524071236.db2.gz	XNVVUOBEBNQOFR-QFIPXVFZSA-N	2	1	428.577	1.800	10	0		IDAEMP
CC[N@@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1	ZINC000046140962	569586920	/nfs/dbraw/zinc/58/69/20/569586920.db2.gz	HESJUASGNLXTPR-LJQANCHMSA-N	2	1	443.013	1.502	10	0		IDAEMP
CC[N@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1	ZINC000046140962	569586921	/nfs/dbraw/zinc/58/69/21/569586921.db2.gz	HESJUASGNLXTPR-LJQANCHMSA-N	2	1	443.013	1.502	10	0		IDAEMP
O=C(CC[C@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1N1CCOCC1)NCC[NH+]1CCCCC1	ZINC000012190441	526574446	/nfs/dbraw/zinc/57/44/46/526574446.db2.gz	KLMZFDOMNOCYFT-BJKOFHAPSA-N	2	1	443.636	1.987	10	0		IDAEMP
O=C(c1ccc(F)cc1)N(CCC[NH+]1CCCCC1)CCS(=O)(=O)N1CC[NH2+]CC1	ZINC000046141039	556692165	/nfs/dbraw/zinc/69/21/65/556692165.db2.gz	ZLSAFRIWYWNMLD-UHFFFAOYSA-N	2	1	440.585	1.379	10	0		IDAEMP