smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1CN(Cc2cccc(P(=O)([O-])[O-])c2)CC[NH2+]1	ZINC000022934011	182341857	/nfs/dbraw/zinc/34/18/57/182341857.db2.gz	BKKMWDAMZKKULH-NSHDSACASA-N	-2	0	300.251	-0.652	1	0		DBAFRL
O=P([O-])([O-])OC[C@@H](O)[C@@H](OCc1ccccc1)[C@@H](O)CO	ZINC000040514480	183088854	/nfs/dbraw/zinc/08/88/54/183088854.db2.gz	NJQQIRIKJARUSN-TUAOUCFPSA-N	-2	0	322.250	-0.605	1	0		DBAFRL
O=C(NCCCCNC(=O)P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000095553040	185379374	/nfs/dbraw/zinc/37/93/74/185379374.db2.gz	ZBCBKVJXSTYFMV-UHFFFAOYSA-N	-4	0	304.132	-0.459	1	0		DBAFRL
O=C([O-])[C@@H]1CN(Cc2ccccc2P(=O)([O-])[O-])CC[NH2+]1	ZINC000022934003	182342006	/nfs/dbraw/zinc/34/20/06/182342006.db2.gz	GLHOMHOXQUGNPP-JTQLQIEISA-N	-2	0	300.251	-0.652	1	0		DBAFRL
[NH3+][C@@H](Cc1ccc(OC(F)(C(=O)[O-])C(=O)[O-])cc1)C(=O)[O-]	ZINC000008378982	181552840	/nfs/dbraw/zinc/55/28/40/181552840.db2.gz	AXIAXCQZCZMCQW-QMMMGPOBSA-N	-2	0	301.226	-0.145	1	0	in-vitro	DBAFRL
CC1(C)S[C@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CO)C(=O)[O-])S1	ZINC000066080061	184387578	/nfs/dbraw/zinc/38/75/78/184387578.db2.gz	AGEGOFJKILOZRP-JKUQZMGJSA-N	-2	0	309.365	-0.414	1	0		DBAFRL
CC1(C)S[C@H](C(=O)[O-])[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])S1	ZINC000066080058	184387622	/nfs/dbraw/zinc/38/76/22/184387622.db2.gz	AGEGOFJKILOZRP-ZLUOBGJFSA-N	-2	0	309.365	-0.414	1	0		DBAFRL
Nc1ccn([C@H]2CC=C(P(=O)([O-])[O-])O[C@H]2CO)c(=O)n1	ZINC000003626374	181041998	/nfs/dbraw/zinc/04/19/98/181041998.db2.gz	OWYZJZKANJSZJL-BQBZGAKWSA-N	-2	0	303.211	-0.833	1	0		DBAFRL
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC000001655044	180884490	/nfs/dbraw/zinc/88/44/90/180884490.db2.gz	ZJTYPCQGSPYOBB-PSASIEDQSA-N	-2	0	316.335	-0.183	1	0		DBAFRL
Nc1ccn([C@@H]2CC=C(P(=O)([O-])[O-])O[C@@H]2CO)c(=O)n1	ZINC000003626356	181042436	/nfs/dbraw/zinc/04/24/36/181042436.db2.gz	OWYZJZKANJSZJL-RNFRBKRXSA-N	-2	0	303.211	-0.833	1	0		DBAFRL
O=P([O-])([O-])OC[C@@H](O)[C@H](OCc1ccccc1)[C@@H](O)CO	ZINC000040514482	183088655	/nfs/dbraw/zinc/08/86/55/183088655.db2.gz	NJQQIRIKJARUSN-QJPTWQEYSA-N	-2	0	322.250	-0.605	1	0		DBAFRL
CC1(C)S[C@@H](C(=O)[O-])[C@H](C(=O)N[C@@H](CO)C(=O)[O-])S1	ZINC000066080056	184387844	/nfs/dbraw/zinc/38/78/44/184387844.db2.gz	AGEGOFJKILOZRP-KVQBGUIXSA-N	-2	0	309.365	-0.414	1	0		DBAFRL
CCOC(=O)CCCCCNC([O-])=C1C(=O)[N-]C(=O)NC1=O	ZINC000015952228	182025932	/nfs/dbraw/zinc/02/59/32/182025932.db2.gz	DQPDCWXZRTZSAE-UHFFFAOYSA-N	-2	0	313.310	-0.165	3	0		DBAFRL
Nc1nc2c(ncn2CCCCOP(=O)([O-])[O-])c(N)n1	ZINC000043067477	183333955	/nfs/dbraw/zinc/33/39/55/183333955.db2.gz	QNFCGSXHQSIIEB-UHFFFAOYSA-N	-2	0	302.231	-0.120	1	0		DBAFRL
[NH3+][C@@H](CC[P@@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000058631281	184125523	/nfs/dbraw/zinc/12/55/23/184125523.db2.gz	YLHAQDFYEKJARV-BQBZGAKWSA-N	-3	0	311.227	-0.376	1	0		DBAFRL
O=C([O-])C[C@@H](NC(=O)C[C@]1(O)C(=O)Nc2ccccc21)C(=O)[O-]	ZINC000059064566	184134449	/nfs/dbraw/zinc/13/44/49/184134449.db2.gz	QMZGZQXNSUNJEY-YMTOWFKASA-N	-2	0	322.273	-0.740	1	0	in-vitro	DBAFRL
O=Cc1ccc(COC(=O)C[C@@](O)(CC(=O)[O-])C(=O)[O-])o1	ZINC000014610795	290888396	/nfs/dbraw/zinc/88/83/96/290888396.db2.gz	FYDIRKLRXHXXHY-LBPRGKRZSA-N	-2	0	300.219	-0.184	1	0	endogenous,in-man	DBAFRL
CSCC[C@H](NC(=O)[C@H](CC(=O)[O-])NC(C)=O)C(=O)[O-]	ZINC000073199480	191291923	/nfs/dbraw/zinc/29/19/23/191291923.db2.gz	FGMUBJQYXOPMHD-YUMQZZPRSA-N	-2	0	306.340	-0.712	1	0	in-vitro	DBAFRL
CSCC[C@H]([NH3+])C(=O)N[C@@]1(C(=O)[O-])CC[C@H]2[C@H](C(=O)[O-])[C@H]21	ZINC000003979746	181059423	/nfs/dbraw/zinc/05/94/23/181059423.db2.gz	RIVCHAZJUYIKRF-ONXMKFCISA-N	-2	0	316.379	-0.253	1	0		DBAFRL
O=C([O-])[C@H]1CN(Cc2ccccc2P(=O)([O-])[O-])CC[NH2+]1	ZINC000022934007	182342862	/nfs/dbraw/zinc/34/28/62/182342862.db2.gz	GLHOMHOXQUGNPP-SNVBAGLBSA-N	-2	0	300.251	-0.652	1	0		DBAFRL
[NH3+][C@@H](CC[P@@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000040976445	183153963	/nfs/dbraw/zinc/15/39/63/183153963.db2.gz	YLHAQDFYEKJARV-RQJHMYQMSA-N	-3	0	311.227	-0.376	1	0	in-vitro	DBAFRL
O=C([O-])[C@H]1CN(Cc2cccc(P(=O)([O-])[O-])c2)CC[NH2+]1	ZINC000022934014	182342259	/nfs/dbraw/zinc/34/22/59/182342259.db2.gz	BKKMWDAMZKKULH-LLVKDONJSA-N	-2	0	300.251	-0.652	1	0		DBAFRL
O=C([O-])C[C@@H](NC(=O)C[C@@]1(O)C(=O)Nc2ccccc21)C(=O)[O-]	ZINC000059064569	184134271	/nfs/dbraw/zinc/13/42/71/184134271.db2.gz	QMZGZQXNSUNJEY-OTYXRUKQSA-N	-2	0	322.273	-0.740	1	0	in-vitro	DBAFRL
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])S2)c(=O)n1	ZINC000013517805	560218317	/nfs/dbraw/zinc/21/83/17/560218317.db2.gz	XBGBVDAACAZVPJ-SHYZEUOFSA-N	-2	0	323.267	-0.700	1	0	in-vitro	DBAFRL
CC1(C)S[C@H](C(=O)N[C@@H](CO)C(=O)[O-])[C@H](C(=O)[O-])S1	ZINC000066080055	184387456	/nfs/dbraw/zinc/38/74/56/184387456.db2.gz	AGEGOFJKILOZRP-HCWXCVPCSA-N	-2	0	309.365	-0.414	1	0		DBAFRL