smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)C(O)(CC[NH2+]CCCOc1ccccc1)[P@@](=O)([O-])O	ZINC000013529702	581102307	/nfs/dbraw/zinc/10/23/07/581102307.db2.gz	KZFMRKCPGOONMR-UHFFFAOYSA-N	-1	2	369.247	0.437	1	0		FCAFLM
O=P([O-])(O)C(O)(CC[NH2+]CCCOc1ccccc1)[P@](=O)([O-])O	ZINC000013529702	581102308	/nfs/dbraw/zinc/10/23/08/581102308.db2.gz	KZFMRKCPGOONMR-UHFFFAOYSA-N	-1	2	369.247	0.437	1	0		FCAFLM
O=c1[nH]cnc2c1ncn2C[C@H]1COC[C@@H]1CC(F)(F)[P@](=O)([O-])O	ZINC000026673144	581101267	/nfs/dbraw/zinc/10/12/67/581101267.db2.gz	FXZULIFCFHYXFH-YUMQZZPRSA-N	-1	2	364.245	0.543	1	0		FCAFLM
O=c1[nH]cnc2c1ncn2C[C@H]1COC[C@@H]1CC(F)(F)[P@@](=O)([O-])O	ZINC000026673144	581101268	/nfs/dbraw/zinc/10/12/68/581101268.db2.gz	FXZULIFCFHYXFH-YUMQZZPRSA-N	-1	2	364.245	0.543	1	0		FCAFLM
O=c1[nH]cnc2c1ncn2C[C@@H]1COC[C@@H]1CC(F)(F)[P@](=O)([O-])O	ZINC000026673137	581101220	/nfs/dbraw/zinc/10/12/20/581101220.db2.gz	FXZULIFCFHYXFH-JGVFFNPUSA-N	-1	2	364.245	0.543	1	0		FCAFLM
O=c1[nH]cnc2c1ncn2C[C@@H]1COC[C@@H]1CC(F)(F)[P@@](=O)([O-])O	ZINC000026673137	581101221	/nfs/dbraw/zinc/10/12/21/581101221.db2.gz	FXZULIFCFHYXFH-JGVFFNPUSA-N	-1	2	364.245	0.543	1	0		FCAFLM
CC(C)(CO)Cn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000040937710	208277387	/nfs/dbraw/zinc/27/73/87/208277387.db2.gz	CYNPKMOWKZEHIR-UHFFFAOYSA-N	-1	2	367.302	0.490	1	0		FCAFLM
CC(C)(CO)Cn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000040937710	208277393	/nfs/dbraw/zinc/27/73/93/208277393.db2.gz	CYNPKMOWKZEHIR-UHFFFAOYSA-N	-1	2	367.302	0.490	1	0		FCAFLM
C[N@@H+](CCOc1ccccc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000002010471	210376439	/nfs/dbraw/zinc/37/64/39/210376439.db2.gz	ZEQNCEOOAYAQEG-UHFFFAOYSA-N	-1	2	369.247	0.389	1	0		FCAFLM
C[NH+](CCOc1ccccc1)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000002010471	210376441	/nfs/dbraw/zinc/37/64/41/210376441.db2.gz	ZEQNCEOOAYAQEG-UHFFFAOYSA-N	-1	2	369.247	0.389	1	0		FCAFLM
C[NH+](CCOc1ccccc1)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000002010471	210376445	/nfs/dbraw/zinc/37/64/45/210376445.db2.gz	ZEQNCEOOAYAQEG-UHFFFAOYSA-N	-1	2	369.247	0.389	1	0		FCAFLM
C[N@H+](CCOc1ccccc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000002010471	210376434	/nfs/dbraw/zinc/37/64/34/210376434.db2.gz	ZEQNCEOOAYAQEG-UHFFFAOYSA-N	-1	2	369.247	0.389	1	0		FCAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(-c2ccccc2)c1)[P@@](=O)([O-])O	ZINC000013643025	211046661	/nfs/dbraw/zinc/04/66/61/211046661.db2.gz	ZYEONEYSNIUGRA-UHFFFAOYSA-O	-1	2	360.219	0.643	1	0	in-vitro	FCAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(-c2ccccc2)c1)[P@](=O)([O-])O	ZINC000013643025	211046667	/nfs/dbraw/zinc/04/66/67/211046667.db2.gz	ZYEONEYSNIUGRA-UHFFFAOYSA-O	-1	2	360.219	0.643	1	0	in-vitro	FCAFLM
O=C([O-])C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1Cc2ccccc2OC1=O	ZINC000001642783	210363587	/nfs/dbraw/zinc/36/35/87/210363587.db2.gz	SCGLMVDHEVZHRE-DTWKUNHWSA-N	-1	2	374.271	0.155	1	0		FCAFLM
CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(=O)[O-])s2)cc1	ZINC000066074357	221239241	/nfs/dbraw/zinc/23/92/41/221239241.db2.gz	MLPKHIZTCNEFGI-UHFFFAOYSA-N	-1	2	356.385	0.924	1	0		FCAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(Cc2ccccc2)c1)[P@@](=O)([O-])O	ZINC000013643031	220080114	/nfs/dbraw/zinc/08/01/14/220080114.db2.gz	LMXLIUVKPWDEGJ-UHFFFAOYSA-O	-1	2	374.246	0.566	1	0		FCAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(Cc2ccccc2)c1)[P@](=O)([O-])O	ZINC000013643031	220080117	/nfs/dbraw/zinc/08/01/17/220080117.db2.gz	LMXLIUVKPWDEGJ-UHFFFAOYSA-O	-1	2	374.246	0.566	1	0		FCAFLM
C[N@H+](CCc1ccccc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000006437508	581099940	/nfs/dbraw/zinc/09/99/40/581099940.db2.gz	GSOPCSRILKZIPB-UHFFFAOYSA-N	-1	2	353.248	0.553	1	0		FCAFLM
C[N@@H+](CCc1ccccc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000006437508	581099941	/nfs/dbraw/zinc/09/99/41/581099941.db2.gz	GSOPCSRILKZIPB-UHFFFAOYSA-N	-1	2	353.248	0.553	1	0		FCAFLM
C[NH+](CCc1ccccc1)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000006437508	581099942	/nfs/dbraw/zinc/09/99/42/581099942.db2.gz	GSOPCSRILKZIPB-UHFFFAOYSA-N	-1	2	353.248	0.553	1	0		FCAFLM
C[NH+](CCc1ccccc1)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000006437508	581099943	/nfs/dbraw/zinc/09/99/43/581099943.db2.gz	GSOPCSRILKZIPB-UHFFFAOYSA-N	-1	2	353.248	0.553	1	0		FCAFLM
Cc1cc2[nH+]cn([C@H]3O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]3O)c2cc1C	ZINC000005930818	560203840	/nfs/dbraw/zinc/20/38/40/560203840.db2.gz	JIABVZWSYKDHDJ-SYQHCUMBSA-N	-1	2	358.287	0.382	1	0	in-vitro	FCAFLM
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)[O-]	ZINC000049066946	221017662	/nfs/dbraw/zinc/01/76/62/221017662.db2.gz	FLRBAYNYIRAMDJ-BBRMVZONSA-N	-1	2	353.382	0.799	1	0		FCAFLM