smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000000447519	401698266	/nfs/dbraw/zinc/69/82/66/401698266.db2.gz	MOVDKJOHPSYMSP-MHWRWJLKSA-N	1	2	324.384	2.340	40	10		DECBLO
CC[NH+]1CCN(c2c(N)cc(OC)cc2Br)CC1	ZINC000045886064	401963439	/nfs/dbraw/zinc/96/34/39/401963439.db2.gz	BJCSRQVXCZTFRE-UHFFFAOYSA-N	1	2	314.227	2.182	40	10		DECBLO
CC[NH+]1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1	ZINC000013547706	401800764	/nfs/dbraw/zinc/80/07/64/401800764.db2.gz	QNMVZWKWSCNMEA-BENRWUELSA-N	1	2	307.444	2.356	40	10		DECBLO
Nc1ccc(C[N@H+](Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419970	406809890	/nfs/dbraw/zinc/80/98/90/406809890.db2.gz	BVSUMLOQLZKVHW-HNNXBMFYSA-N	1	2	320.414	2.051	40	10		DECBLO
Nc1ccc(C[N@@H+](Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575419970	406809891	/nfs/dbraw/zinc/80/98/91/406809891.db2.gz	BVSUMLOQLZKVHW-HNNXBMFYSA-N	1	2	320.414	2.051	40	10		DECBLO
Cc1cccc(/C=C2\SC(N3CC[NH+](C)CC3)=NC2=O)c1	ZINC000006867173	401733526	/nfs/dbraw/zinc/73/35/26/401733526.db2.gz	JSIDIHHVPDGIMP-KAMYIIQDSA-N	1	2	301.415	2.213	40	10		DECBLO
COc1cccc([C@@H]2[NH2+]CCc3cc(O)c(O)cc32)c1OC	ZINC000003703466	181044762	/nfs/dbraw/zinc/04/47/62/181044762.db2.gz	GWNMBOJDROASRW-INIZCTEOSA-N	1	2	301.342	2.350	40	10		DECBLO
C[NH+]1CCN(C2=NC(=O)/C(=C\C=C/c3ccccc3)S2)CC1	ZINC000013633080	277103808	/nfs/dbraw/zinc/10/38/08/277103808.db2.gz	GZAHMUZEGYENCQ-HAVFLYGMSA-N	1	2	313.426	2.461	40	10		DECBLO
CC[NH+]1CCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)CC1	ZINC000033320411	401890401	/nfs/dbraw/zinc/89/04/01/401890401.db2.gz	QOOMGBURMIJYSP-SDNWHVSQSA-N	1	2	317.414	2.000	40	10		DECBLO
Nc1ccc(C[N@H+](Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419971	406809761	/nfs/dbraw/zinc/80/97/61/406809761.db2.gz	BVSUMLOQLZKVHW-OAHLLOKOSA-N	1	2	320.414	2.051	40	10		DECBLO
Nc1ccc(C[N@@H+](Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575419971	406809764	/nfs/dbraw/zinc/80/97/64/406809764.db2.gz	BVSUMLOQLZKVHW-OAHLLOKOSA-N	1	2	320.414	2.051	40	10		DECBLO
CCC[NH+]=C(C)C1=C([O-])N(c2ccccc2)[NH2+]C1=CC(=O)OC	ZINC000017053257	182071483	/nfs/dbraw/zinc/07/14/83/182071483.db2.gz	GJYOQKUNHGPOPE-VBKFSLOCSA-N	1	2	315.373	2.226	40	10		DECBLO