smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C(=O)C(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)=C([O-])c2ccccc21	ZINC000004776109	482822142	/nfs/dbraw/zinc/82/21/42/482822142.db2.gz	ZPZGPVPZOQHNJA-CMWIYATHSA-N	-1	1	352.295	-1.348	40	30		FAEBMM
O=C1C(=O)C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)=C([O-])c2ccccc21	ZINC000004776110	207047464	/nfs/dbraw/zinc/04/74/64/207047464.db2.gz	ZPZGPVPZOQHNJA-DJVITXSYSA-N	-1	1	352.295	-1.348	40	30		FAEBMM
O=C1C(=O)C(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)=C([O-])c2ccccc21	ZINC000004776111	207047426	/nfs/dbraw/zinc/04/74/26/207047426.db2.gz	ZPZGPVPZOQHNJA-SKMIBJQZSA-N	-1	1	352.295	-1.348	40	30		FAEBMM
O=C1C(=O)C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)=C([O-])c2ccccc21	ZINC000004776115	207048331	/nfs/dbraw/zinc/04/83/31/207048331.db2.gz	ZPZGPVPZOQHNJA-NDANIYLUSA-N	-1	1	352.295	-1.348	40	30		FAEBMM
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(/C=N/[O-])c(=O)n1C	ZINC000005760139	482533839	/nfs/dbraw/zinc/53/38/39/482533839.db2.gz	CDNBQQGZZJBNQL-LKLXIRILSA-N	-1	1	360.323	-3.191	40	30		FAEBMM
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(/C=N/[O-])c(=O)n1C	ZINC000005760141	524987425	/nfs/dbraw/zinc/98/74/25/524987425.db2.gz	CDNBQQGZZJBNQL-VLMOPZSUSA-N	-1	1	360.323	-3.191	40	30		FAEBMM
O=C(C=C1NC(=O)SC1=O)NCCNC(=O)C=C1SC(=O)[N-]C1=O	ZINC000032597750	527651917	/nfs/dbraw/zinc/65/19/17/527651917.db2.gz	NRMWEIZYCRPPKB-GLIMQPGKSA-N	-1	1	370.368	-1.047	40	30		FAEBMM
CC1=C(C(N)=O)C(=O)[C@H](CC(=O)[O-])C(=O)[C@@H]1C=C1C(=O)NC(=O)NC1=O	ZINC000100927405	482650945	/nfs/dbraw/zinc/65/09/45/482650945.db2.gz	YEZICTZKTDHJTD-PHDIDXHHSA-N	-1	1	363.282	-2.061	40	30		FAEBMM
CC1=C(C(N)=O)C(=O)[C@@H](CC(=O)[O-])C(=O)[C@@H]1C=C1C(=O)NC(=O)NC1=O	ZINC000100927406	209218548	/nfs/dbraw/zinc/21/85/48/209218548.db2.gz	YEZICTZKTDHJTD-RITPCOANSA-N	-1	1	363.282	-2.061	40	30		FAEBMM
CC1=C(C(N)=O)C(=O)[C@H](CC(=O)[O-])C(=O)[C@H]1C=C1C(=O)NC(=O)NC1=O	ZINC000100927407	209218553	/nfs/dbraw/zinc/21/85/53/209218553.db2.gz	YEZICTZKTDHJTD-NTSWFWBYSA-N	-1	1	363.282	-2.061	40	30		FAEBMM
CC1=C(C(N)=O)C(=O)[C@@H](CC(=O)[O-])C(=O)[C@H]1C=C1C(=O)NC(=O)NC1=O	ZINC000100927410	482651718	/nfs/dbraw/zinc/65/17/18/482651718.db2.gz	YEZICTZKTDHJTD-WDSKDSINSA-N	-1	1	363.282	-2.061	40	30		FAEBMM
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(/C=N\[O-])c(=O)n1C	ZINC000104267723	209259688	/nfs/dbraw/zinc/25/96/88/209259688.db2.gz	CDNBQQGZZJBNQL-XIZWEGIRSA-N	-1	1	360.323	-3.191	40	30		FAEBMM
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(/C=N\[O-])c(=O)n1C	ZINC000104267728	524989064	/nfs/dbraw/zinc/98/90/64/524989064.db2.gz	CDNBQQGZZJBNQL-KNWRRIPLSA-N	-1	1	360.323	-3.191	40	30		FAEBMM