smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCC[C@H](O)[C@@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000008216815	204266266	/nfs/dbraw/zinc/26/62/66/204266266.db2.gz	YHEDRJPUIRMZMP-ROUUACIJSA-N	0	2	381.494	4.265	10	30	in-vitro	GIEELN
CCCCCCCCCCCCCCC[C@H](O)[C@@H]([NH3+])CO[P@](=O)([O-])O	ZINC000008216815	204266271	/nfs/dbraw/zinc/26/62/71/204266271.db2.gz	YHEDRJPUIRMZMP-ROUUACIJSA-N	0	2	381.494	4.265	10	30	in-vitro	GIEELN
CCCCCCCCCCCCC/C=C\[C@H](O)[C@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000008220202	560207454	/nfs/dbraw/zinc/20/74/54/560207454.db2.gz	DUYSYHSSBDVJSM-BXDGKWANSA-N	0	2	379.478	4.041	10	30	in-vitro	GIEELN
CCCCCCCCCCCCC/C=C\[C@H](O)[C@H]([NH3+])CO[P@](=O)([O-])O	ZINC000008220202	560207456	/nfs/dbraw/zinc/20/74/56/560207456.db2.gz	DUYSYHSSBDVJSM-BXDGKWANSA-N	0	2	379.478	4.041	10	30	in-vitro	GIEELN
CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000008220254	560207435	/nfs/dbraw/zinc/20/74/35/560207435.db2.gz	DUYSYHSSBDVJSM-GSNRFKGPSA-N	0	2	379.478	4.041	10	30	in-vitro	GIEELN
CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H]([NH3+])CO[P@](=O)([O-])O	ZINC000008220254	560207437	/nfs/dbraw/zinc/20/74/37/560207437.db2.gz	DUYSYHSSBDVJSM-GSNRFKGPSA-N	0	2	379.478	4.041	10	30	in-vitro	GIEELN
Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\C(C)C)N(C(C)C)C1=O	ZINC000017085142	525768679	/nfs/dbraw/zinc/76/86/79/525768679.db2.gz	MKLAATYBHYUKQH-MEUCICPISA-N	0	2	381.929	4.094	10	30		GIEELN
Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\C(C)C)N(C(C)C)C1=O	ZINC000017085142	525768687	/nfs/dbraw/zinc/76/86/87/525768687.db2.gz	MKLAATYBHYUKQH-MEUCICPISA-N	0	2	381.929	4.094	10	30		GIEELN
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1C1CCCCC1	ZINC000038464987	519367720	/nfs/dbraw/zinc/36/77/20/519367720.db2.gz	GXAKUDFZGVEXGU-MRXNPFEDSA-N	0	2	378.266	4.146	10	30		GIEELN
Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\C(C)C)N(C(C)C)C1=O	ZINC000017085141	525768132	/nfs/dbraw/zinc/76/81/32/525768132.db2.gz	MKLAATYBHYUKQH-ZJYNUGOYSA-N	0	2	381.929	4.094	10	30		GIEELN
Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\C(C)C)N(C(C)C)C1=O	ZINC000017085141	525768148	/nfs/dbraw/zinc/76/81/48/525768148.db2.gz	MKLAATYBHYUKQH-ZJYNUGOYSA-N	0	2	381.929	4.094	10	30		GIEELN
O=[N+]([O-])c1ccc(/C=N/c2ccccc2/N=C/c2cc([N+](=O)[O-])ccc2O)o1	ZINC000003123749	570329306	/nfs/dbraw/zinc/32/93/06/570329306.db2.gz	DGVIXKXQQFBSIR-ROUMAOROSA-N	0	2	380.316	4.303	10	30		GIEELN
O=C(c1ccco1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1Cl	ZINC000096336092	526824225	/nfs/dbraw/zinc/82/42/25/526824225.db2.gz	WALVKQZEACCWAD-CQSZACIVSA-N	0	2	386.816	4.172	10	30		GIEELN
O=C(c1ccco1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1Cl	ZINC000096336093	526824471	/nfs/dbraw/zinc/82/44/71/526824471.db2.gz	WALVKQZEACCWAD-AWEZNQCLSA-N	0	2	386.816	4.172	10	30		GIEELN
CCC(C)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C	ZINC000005652447	520181890	/nfs/dbraw/zinc/18/18/90/520181890.db2.gz	CCMVXLPAJNUAOY-XMHGGMMESA-N	0	2	390.465	4.210	10	30		GIEELN
CCCCCCCCCCCCCCC[C@@H](O)[C@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000008216794	560207089	/nfs/dbraw/zinc/20/70/89/560207089.db2.gz	YHEDRJPUIRMZMP-QZTJIDSGSA-N	0	2	381.494	4.265	10	30	in-vitro	GIEELN
CCCCCCCCCCCCCCC[C@@H](O)[C@H]([NH3+])CO[P@](=O)([O-])O	ZINC000008216794	560207091	/nfs/dbraw/zinc/20/70/91/560207091.db2.gz	YHEDRJPUIRMZMP-QZTJIDSGSA-N	0	2	381.494	4.265	10	30	in-vitro	GIEELN
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1C1CCCCC1	ZINC000038464988	519368671	/nfs/dbraw/zinc/36/86/71/519368671.db2.gz	GXAKUDFZGVEXGU-INIZCTEOSA-N	0	2	378.266	4.146	10	30		GIEELN
O=C1/C(=N\O)c2cc(Cl)ccc2N1CCCOc1ccc2ccccc2c1	ZINC000101102070	526949456	/nfs/dbraw/zinc/94/94/56/526949456.db2.gz	GJIMDHRUIBBFQC-ATJXCDBQSA-N	0	2	380.831	4.487	10	30		GIEELN
CCCCCOc1ccc(CN2c3ccc(C)cc3/C(=N/O)C2=O)cc1OC	ZINC000101101643	520252175	/nfs/dbraw/zinc/25/21/75/520252175.db2.gz	WKIAZTPHQLIBJK-LNVKXUELSA-N	0	2	382.460	4.298	10	30		GIEELN
O=C(c1ccco1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1	ZINC000096336094	526824702	/nfs/dbraw/zinc/82/47/02/526824702.db2.gz	LYZRWUQUVNNJFD-CQSZACIVSA-N	0	2	386.816	4.172	10	30		GIEELN
CCCCCCCCCCCCCCC[C@H](O)[C@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000008216762	560207095	/nfs/dbraw/zinc/20/70/95/560207095.db2.gz	YHEDRJPUIRMZMP-MSOLQXFVSA-N	0	2	381.494	4.265	10	30	in-vitro	GIEELN
CCCCCCCCCCCCCCC[C@H](O)[C@H]([NH3+])CO[P@](=O)([O-])O	ZINC000008216762	560207096	/nfs/dbraw/zinc/20/70/96/560207096.db2.gz	YHEDRJPUIRMZMP-MSOLQXFVSA-N	0	2	381.494	4.265	10	30	in-vitro	GIEELN
O=C(Oc1ccc(/C=N/c2cc(Cl)c([N+](=O)[O-])cc2O)cc1)c1cccnc1	ZINC000004979540	526438788	/nfs/dbraw/zinc/43/87/88/526438788.db2.gz	OLUHQNLHLANULA-LSHDLFTRSA-N	0	2	397.774	4.319	10	30		GIEELN
O=C(c1ccco1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1	ZINC000096336095	526824857	/nfs/dbraw/zinc/82/48/57/526824857.db2.gz	LYZRWUQUVNNJFD-AWEZNQCLSA-N	0	2	386.816	4.172	10	30		GIEELN
CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H]([NH3+])CO[P@@](=O)([O-])O	ZINC000008220256	560207390	/nfs/dbraw/zinc/20/73/90/560207390.db2.gz	DUYSYHSSBDVJSM-QOQDJSECSA-N	0	2	379.478	4.041	10	30	in-vitro	GIEELN
CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H]([NH3+])CO[P@](=O)([O-])O	ZINC000008220256	560207391	/nfs/dbraw/zinc/20/73/91/560207391.db2.gz	DUYSYHSSBDVJSM-QOQDJSECSA-N	0	2	379.478	4.041	10	30	in-vitro	GIEELN