smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)/C=C/C(=O)NC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000006482109	560205713	/nfs/dbraw/zinc/20/57/13/560205713.db2.gz	ZDSAILYUAITBJS-FVWNJDPFSA-N	-1	1	363.370	-1.029	1	0	in-vitro	FAAFMM
COC(=O)/C=C/C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000006482147	560205735	/nfs/dbraw/zinc/20/57/35/560205735.db2.gz	ZDSAILYUAITBJS-NAISLTENSA-N	-1	1	363.370	-1.029	1	0	in-vitro	FAAFMM
Cc1cn(C[C@H](O)[C@H](O)COCOC[P@](=O)([O-])O)c(=O)[nH]c1=O	ZINC000013558086	220073381	/nfs/dbraw/zinc/07/33/81/220073381.db2.gz	ONBGJWYQPLRMJF-DTWKUNHWSA-N	-1	1	354.252	-2.307	1	0		FAAFMM
CC(C)C[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NC[P@](=O)([O-])O	ZINC000013817886	220097097	/nfs/dbraw/zinc/09/70/97/220097097.db2.gz	BMRQSKYAPLJFKP-IUCAKERBSA-N	-1	1	353.312	-1.039	1	0		FAAFMM
Cn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c1=O	ZINC000027106598	220529954	/nfs/dbraw/zinc/52/99/54/220529954.db2.gz	GQZFMSAPXFUTGG-IOSLPCCCSA-N	-1	1	353.335	-1.585	1	0		FAAFMM
C[C@H]1O[C@@H](n2c(NCC[P@](=O)([O-])O)nc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000040412683	208253742	/nfs/dbraw/zinc/25/37/42/208253742.db2.gz	OWKDQAWLQICRLN-IOSLPCCCSA-N	-1	1	374.294	-1.363	1	0		FAAFMM
N[C@@H](CC(=O)[O-])C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000045370645	205121157	/nfs/dbraw/zinc/12/11/57/205121157.db2.gz	DEMJKVUJSKHPIJ-RBXMUDONSA-N	-1	1	361.282	-2.331	1	0		FAAFMM
N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000045385160	208332205	/nfs/dbraw/zinc/33/22/05/208332205.db2.gz	VFOCEGZEPMCSOU-AVGNSLFASA-N	-1	1	351.359	-2.179	1	0		FAAFMM
CN1C=[NH+]c2c(ncn2[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)[C@@H]1N	ZINC000049089208	205168754	/nfs/dbraw/zinc/16/87/54/205168754.db2.gz	PXQPOBTUNIUPSD-NAHXDTDZSA-N	-1	1	363.267	-1.826	1	0		FAAFMM
NC(=O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](C[P@](=O)([O-])O)[C@@H](O)[C@H]1F	ZINC000071294566	221340201	/nfs/dbraw/zinc/34/02/01/221340201.db2.gz	FLGPUWQGILXFGV-FJGDRVTGSA-N	-1	1	353.199	-2.590	1	0		FAAFMM
C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)[O-]	ZINC000095563727	209081175	/nfs/dbraw/zinc/08/11/75/209081175.db2.gz	VQDVDJQYFIVYCL-JQWIXIFHSA-N	-1	1	351.359	-1.195	1	0		FAAFMM
Nc1nc2c(ncn2CC[NH+](CC[P@](=O)([O-])O)CC(=O)[O-])c(=O)[nH]1	ZINC000095574749	209081438	/nfs/dbraw/zinc/08/14/38/209081438.db2.gz	RPHPTRZESFYTJS-UHFFFAOYSA-N	-1	1	360.267	-1.734	1	0		FAAFMM
Nc1nc2c(ncn2CC[NH+](CC[P@@](=O)([O-])O)CC(=O)[O-])c(=O)[nH]1	ZINC000095574749	209081436	/nfs/dbraw/zinc/08/14/36/209081436.db2.gz	RPHPTRZESFYTJS-UHFFFAOYSA-N	-1	1	360.267	-1.734	1	0		FAAFMM
Nc1nc2c(ncn2CC[N@@H+](CCP(=O)([O-])O)CC(=O)[O-])c(=O)[nH]1	ZINC000095574749	209081431	/nfs/dbraw/zinc/08/14/31/209081431.db2.gz	RPHPTRZESFYTJS-UHFFFAOYSA-N	-1	1	360.267	-1.734	1	0		FAAFMM
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1[O-]	ZINC000086860244	523058174	/nfs/dbraw/zinc/05/81/74/523058174.db2.gz	CRSFLLTWRCYNNX-MRUKFPOBSA-N	-1	1	370.310	-1.314	2	0		FAAFMM