smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cnn(CC=CCP(=O)([O-])[O-])c(=O)[n-]1	ZINC000001647362	183008788	/nfs/dbraw/zinc/00/87/88/183008788.db2.gz	ACXAVPIQKKPRPO-OWOJBTEDSA-N	-3	3	247.147	-1.335	1	0		BAAFHL
N[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000003869324	560190329	/nfs/dbraw/zinc/19/03/29/560190329.db2.gz	SKCBPEVYGOQGJN-NEEWWZBLSA-N	-2	3	229.125	-2.499	1	0	in-vitro	BAAFHL
N[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003869326	560190410	/nfs/dbraw/zinc/19/04/10/560190410.db2.gz	SKCBPEVYGOQGJN-SKNVOMKLSA-N	-2	3	229.125	-2.499	1	0	in-vitro	BAAFHL
NCC(=O)N[C@@]1(C(=O)[O-])CC[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000003979744	181353229	/nfs/dbraw/zinc/35/32/29/181353229.db2.gz	DUNWINFUDNGOJH-DEGSGYPDSA-N	-2	3	242.231	-1.375	1	0		BAAFHL
O=C(CP(=O)([O-])[O-])NCCP(=O)([O-])[O-]	ZINC000013556029	182006601	/nfs/dbraw/zinc/00/66/01/182006601.db2.gz	OJBJNCCAOSAGFV-UHFFFAOYSA-N	-4	3	247.080	-1.542	1	0		BAAFHL
CC(C)[C@H](N)C(=O)[N-]O[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000014585756	259302374	/nfs/dbraw/zinc/30/23/74/259302374.db2.gz	KXQRAPMNPUXYGT-FSPLSTOPSA-N	-3	3	248.235	-1.055	1	0		BAAFHL
C[NH2+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000027201457	173342851	/nfs/dbraw/zinc/34/28/51/173342851.db2.gz	APAXCKPITWPINA-UHFFFAOYSA-N	-3	3	249.096	-1.403	1	0		BAAFHL
O=C([O-])[C@@H](CCO)NC(=O)CP(=O)([O-])[O-]	ZINC000028898686	182006784	/nfs/dbraw/zinc/00/67/84/182006784.db2.gz	OIBYCHQSRXCMTC-SCSAIBSYSA-N	-3	3	241.136	-1.884	1	0		BAAFHL
O=C([O-])[C@H](CCO)NC(=O)CP(=O)([O-])[O-]	ZINC000028898691	182005275	/nfs/dbraw/zinc/00/52/75/182005275.db2.gz	OIBYCHQSRXCMTC-BYPYZUCNSA-N	-3	3	241.136	-1.884	1	0		BAAFHL
O=C(CP(=O)([O-])[O-])N[C@H](CO)CCO	ZINC000028898705	182006505	/nfs/dbraw/zinc/00/65/05/182006505.db2.gz	CFIPPAOEPUKLSD-YFKPBYRVSA-N	-2	3	227.153	-1.976	1	0		BAAFHL
O=C(CP(=O)([O-])[O-])N[C@@H](CO)CCO	ZINC000028898712	182005489	/nfs/dbraw/zinc/00/54/89/182005489.db2.gz	CFIPPAOEPUKLSD-RXMQYKEDSA-N	-2	3	227.153	-1.976	1	0		BAAFHL
O=C(CP(=O)([O-])[O-])NC(C(=O)[O-])C(=O)[O-]	ZINC000028898720	182006576	/nfs/dbraw/zinc/00/65/76/182006576.db2.gz	UTSAMTJFYVPXMZ-UHFFFAOYSA-N	-4	3	241.092	-2.182	1	0		BAAFHL
O=C([O-])[C@@H](CO)NC(=O)CP(=O)([O-])[O-]	ZINC000028898724	182006212	/nfs/dbraw/zinc/00/62/12/182006212.db2.gz	MNHGOFPXQLSAFW-GSVOUGTGSA-N	-3	3	227.109	-2.274	1	0		BAAFHL
O=C([O-])[C@H](CO)NC(=O)CP(=O)([O-])[O-]	ZINC000028898728	182006348	/nfs/dbraw/zinc/00/63/48/182006348.db2.gz	MNHGOFPXQLSAFW-VKHMYHEASA-N	-3	3	227.109	-2.274	1	0		BAAFHL
C[C@H](O)[C@@H](NC(=O)CP(=O)([O-])[O-])C(=O)[O-]	ZINC000028898738	177007786	/nfs/dbraw/zinc/00/77/86/177007786.db2.gz	LUXRBCGHLBPAKR-WVZVXSGGSA-N	-3	3	241.136	-1.886	1	0		BAAFHL
C[C@H](O)[C@H](NC(=O)CP(=O)([O-])[O-])C(=O)[O-]	ZINC000028898748	177013531	/nfs/dbraw/zinc/01/35/31/177013531.db2.gz	LUXRBCGHLBPAKR-UCORVYFPSA-N	-3	3	241.136	-1.886	1	0		BAAFHL
C[C@@H](O)[C@@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)[O-]	ZINC000032839156	571745476	/nfs/dbraw/zinc/74/54/76/571745476.db2.gz	XPMVVZFGFJOFSL-ZMIZWQJLSA-N	-2	3	234.208	-2.261	1	0	endogenous,in-vitro	BAAFHL
C[C@@H](O)[C@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)[O-]	ZINC000032839160	571745532	/nfs/dbraw/zinc/74/55/32/571745532.db2.gz	XPMVVZFGFJOFSL-KODRXGBYSA-N	-2	3	234.208	-2.261	1	0	endogenous,in-vitro	BAAFHL
NC(=O)C[C@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)[O-]	ZINC000050026828	574414861	/nfs/dbraw/zinc/41/48/61/574414861.db2.gz	PNTYEICTDVFBPB-IMJSIDKUSA-N	-2	3	247.207	-2.767	1	0	endogenous,in-vitro	BAAFHL
NC(=O)C[C@@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)[O-]	ZINC000050026850	574414863	/nfs/dbraw/zinc/41/48/63/574414863.db2.gz	PNTYEICTDVFBPB-IUYQGCFVSA-N	-2	3	247.207	-2.767	1	0	endogenous,in-vitro	BAAFHL
NC(=O)C[C@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)[O-]	ZINC000050027269	574414944	/nfs/dbraw/zinc/41/49/44/574414944.db2.gz	PNTYEICTDVFBPB-DMTCNVIQSA-N	-2	3	247.207	-2.767	1	0	endogenous,in-vitro	BAAFHL
NC(=O)C[C@@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)[O-]	ZINC000050027310	574415000	/nfs/dbraw/zinc/41/50/00/574415000.db2.gz	PNTYEICTDVFBPB-QWWZWVQMSA-N	-2	3	247.207	-2.767	1	0	endogenous,in-vitro	BAAFHL
N[C@@H](Cn1nncc1C(=O)[O-])C(=O)[O-]	ZINC000064573078	181559170	/nfs/dbraw/zinc/55/91/70/181559170.db2.gz	JOWXVYJJJTZWEF-VKHMYHEASA-N	-2	3	200.154	-1.612	1	0		BAAFHL
C[C@@H](O)[C@@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069485782	574415463	/nfs/dbraw/zinc/41/54/63/574415463.db2.gz	NTQDELBZOMWXRS-ZMIZWQJLSA-N	-2	3	234.208	-2.261	1	0	endogenous,in-man	BAAFHL
NC(=O)CC(NC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069486494	574415732	/nfs/dbraw/zinc/41/57/32/574415732.db2.gz	VWOVHVSSODBSPW-GSVOUGTGSA-N	-2	3	247.207	-1.935	1	0	endogenous,in-vitro	BAAFHL
NC(=O)CC(NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069486495	574415717	/nfs/dbraw/zinc/41/57/17/574415717.db2.gz	VWOVHVSSODBSPW-VKHMYHEASA-N	-2	3	247.207	-1.935	1	0	endogenous,in-vitro	BAAFHL
N[C@H](CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069486498	574415704	/nfs/dbraw/zinc/41/57/04/574415704.db2.gz	PEFPSSNNCOLIIQ-GSVOUGTGSA-N	-3	3	248.191	-1.336	1	0	endogenous,in-vitro	BAAFHL
N[C@@H](CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000069486502	574415726	/nfs/dbraw/zinc/41/57/26/574415726.db2.gz	PEFPSSNNCOLIIQ-VKHMYHEASA-N	-3	3	248.191	-1.336	1	0	endogenous,in-vitro	BAAFHL
C[C@@H](O)C(NC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069486567	574415764	/nfs/dbraw/zinc/41/57/64/574415764.db2.gz	CGIQVZUEHDCBDB-QWWZWVQMSA-N	-2	3	234.208	-1.430	1	0	endogenous,in-vitro	BAAFHL
C[C@H](O)C(NC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069486569	574415774	/nfs/dbraw/zinc/41/57/74/574415774.db2.gz	CGIQVZUEHDCBDB-IUYQGCFVSA-N	-2	3	234.208	-1.430	1	0	endogenous,in-vitro	BAAFHL
C[C@@H](O)C(NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069486570	574415782	/nfs/dbraw/zinc/41/57/82/574415782.db2.gz	CGIQVZUEHDCBDB-DMTCNVIQSA-N	-2	3	234.208	-1.430	1	0	endogenous,in-vitro	BAAFHL
C[C@H](O)C(NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000069486573	574415746	/nfs/dbraw/zinc/41/57/46/574415746.db2.gz	CGIQVZUEHDCBDB-IMJSIDKUSA-N	-2	3	234.208	-1.430	1	0	endogenous,in-vitro	BAAFHL
N[C@H](CC(=O)[O-])C(=O)NC(CO)C(=O)[O-]	ZINC000100386205	574417454	/nfs/dbraw/zinc/41/74/54/574417454.db2.gz	ALFXWGNHRFKRAY-GSVOUGTGSA-N	-2	3	220.181	-1.818	1	0	endogenous,in-vitro	BAAFHL
N[C@@H](CC(=O)[O-])C(=O)NC(CO)C(=O)[O-]	ZINC000100386209	574417482	/nfs/dbraw/zinc/41/74/82/574417482.db2.gz	ALFXWGNHRFKRAY-VKHMYHEASA-N	-2	3	220.181	-1.818	1	0	endogenous,in-vitro	BAAFHL
N[C@H](CCC(=O)[O-])C(=O)NC(CO)C(=O)[O-]	ZINC000100386614	574417655	/nfs/dbraw/zinc/41/76/55/574417655.db2.gz	QTTRRTZUBIBDTJ-SCSAIBSYSA-N	-2	3	234.208	-1.428	1	0	endogenous,in-vitro	BAAFHL
N[C@@H](CCC(=O)[O-])C(=O)NC(CO)C(=O)[O-]	ZINC000100386615	574417653	/nfs/dbraw/zinc/41/76/53/574417653.db2.gz	QTTRRTZUBIBDTJ-BYPYZUCNSA-N	-2	3	234.208	-1.428	1	0	endogenous,in-vitro	BAAFHL
C[C@@H](O)C(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386618	574417681	/nfs/dbraw/zinc/41/76/81/574417681.db2.gz	SPJIAAVLNNWCDD-RFZPGFLSSA-N	-2	3	248.235	-1.039	1	0	endogenous,in-vitro	BAAFHL
C[C@H](O)C(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386619	574417667	/nfs/dbraw/zinc/41/76/67/574417667.db2.gz	SPJIAAVLNNWCDD-CRCLSJGQSA-N	-2	3	248.235	-1.039	1	0	endogenous,in-vitro	BAAFHL
C[C@@H](O)C(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386621	574417709	/nfs/dbraw/zinc/41/77/09/574417709.db2.gz	SPJIAAVLNNWCDD-UHNVWZDZSA-N	-2	3	248.235	-1.039	1	0	endogenous,in-vitro	BAAFHL
C[C@H](O)C(NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-]	ZINC000100386623	574417707	/nfs/dbraw/zinc/41/77/07/574417707.db2.gz	SPJIAAVLNNWCDD-WHFBIAKZSA-N	-2	3	248.235	-1.039	1	0	endogenous,in-vitro	BAAFHL
N[C@@H](C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])NC1=O	ZINC000100771703	571814487	/nfs/dbraw/zinc/81/44/87/571814487.db2.gz	QEFCFJFZZLNSPP-PZGQECOJSA-N	-2	3	202.166	-2.012	1	0	endogenous,in-man	BAAFHL