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@@H](Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000040872814	205082445	/nfs/dbraw/zinc/08/24/45/205082445.db2.gz	QZTDQEVQGQAOKB-CQSZACIVSA-N	-2	0	358.308	2.413	1	0	in-vitro	FEAFRL
O=[P@@]([O-])(O)CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnn[n-]1	ZINC000003981919	204116809	/nfs/dbraw/zinc/11/68/09/204116809.db2.gz	HYXPDXHZGJELSV-ZDUSSCGKSA-N	-2	0	373.309	2.108	1	0		FEAFRL
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000028756604	581095441	/nfs/dbraw/zinc/09/54/41/581095441.db2.gz	JVZOJVSKVSEJNC-CFVMTHIKSA-N	-2	0	365.451	2.270	1	0		FEAFRL
COc1cc(C[C@H](NC[P@@](=O)([O-])O)C(=O)[O-])ccc1-c1ccccc1	ZINC000001538359	204012454	/nfs/dbraw/zinc/01/24/54/204012454.db2.gz	NQRRDOIDNXKLSF-HNNXBMFYSA-N	-2	0	365.322	2.083	1	0		FEAFRL
O=C([O-])C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2F)[n-]1)c1ccccc1	ZINC000095554549	209078874	/nfs/dbraw/zinc/07/88/74/209078874.db2.gz	WCOPBGMZNVJCMU-CQSZACIVSA-N	-2	0	369.352	2.251	1	0		FEAFRL
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000036222680	208152158	/nfs/dbraw/zinc/15/21/58/208152158.db2.gz	JVZOJVSKVSEJNC-QEJZJMRPSA-N	-2	0	365.451	2.270	1	0		FEAFRL
O=C([O-])/C=C/c1ccc2c(c1)S(=O)(=O)N(C1CCCC1)[C@H]2CC(=O)[O-]	ZINC000036382961	208159366	/nfs/dbraw/zinc/15/93/66/208159366.db2.gz	WLHJFXAYXZEJRF-OWNNVSBGSA-N	-2	0	365.407	2.247	1	0		FEAFRL
O=C([O-])c1cc2n(n1)[C@@H](C(=O)[O-])Nc1cc(Cl)c(-n3ccnc3)cc1-2	ZINC000027326273	581102126	/nfs/dbraw/zinc/10/21/26/581102126.db2.gz	SEAKCYNFQSTCLA-ZDUSSCGKSA-N	-2	0	359.729	2.096	1	0		FEAFRL
O=C([O-])c1cc2n(n1)[C@H](C(=O)[O-])Nc1cc(Cl)c(-n3ccnc3)cc1-2	ZINC000027326270	581102102	/nfs/dbraw/zinc/10/21/02/581102102.db2.gz	SEAKCYNFQSTCLA-CYBMUJFWSA-N	-2	0	359.729	2.096	1	0		FEAFRL
CCC(=C([O-])c1ccc(OCC(=O)[O-])c(Cl)c1Cl)S(C)(=O)=O	ZINC000026499214	211449030	/nfs/dbraw/zinc/44/90/30/211449030.db2.gz	ZWDGGSGOTCJLRP-SECBINFHSA-N	-2	0	369.222	2.463	1	0		FEAFRL
O=C([O-])CNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000026508119	211447710	/nfs/dbraw/zinc/44/77/10/211447710.db2.gz	XYCYXMMLIYAVMW-QZTJIDSGSA-N	-2	0	369.417	2.380	1	0		FEAFRL
COc1ccccc1-c1sc(N)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000066103548	221241115	/nfs/dbraw/zinc/24/11/15/221241115.db2.gz	VTKAIXYQYKVFTF-UHFFFAOYSA-N	-2	0	352.308	2.464	1	0		FEAFRL
O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)cn1	ZINC000013450944	211034909	/nfs/dbraw/zinc/03/49/09/211034909.db2.gz	PHXYQSJRAGUHAI-UHFFFAOYSA-N	-2	0	356.359	2.052	1	0		FEAFRL
C[C@@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000036222682	581095527	/nfs/dbraw/zinc/09/55/27/581095527.db2.gz	JVZOJVSKVSEJNC-SNPRPXQTSA-N	-2	0	365.451	2.270	1	0		FEAFRL
O=C(Nc1nc2ccccc2[nH]1)c1ccc(C(F)(F)P(=O)([O-])[O-])cc1	ZINC000049047748	221018103	/nfs/dbraw/zinc/01/81/03/221018103.db2.gz	GRIBYFLJXRGBLY-UHFFFAOYSA-N	-2	0	367.248	2.464	1	0		FEAFRL
O=C([O-])C(=O)Nc1cc(-c2ccccc2)cc(NC(=O)C(=O)[O-])c1Cl	ZINC000141209059	222547271	/nfs/dbraw/zinc/54/72/71/222547271.db2.gz	IQKGSEXWCLOENN-UHFFFAOYSA-N	-2	0	362.725	2.053	1	0		FEAFRL
C[C@@](Cc1ccccc1)(C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O	ZINC000013816024	220097240	/nfs/dbraw/zinc/09/72/40/220097240.db2.gz	XTNBKGMUEWYZFZ-LJQANCHMSA-N	-2	0	353.330	2.067	1	0		FEAFRL
CCCCN1C(=O)[N-]C(=O)C(=C([O-])C=Cc2ccc3c(c2)OCO3)C1=O	ZINC000101492394	222276043	/nfs/dbraw/zinc/27/60/43/222276043.db2.gz	KQDDWXNOHKMGJJ-QXRPCXSHSA-N	-2	0	358.350	2.119	3	0		FEAFRL
C[C@@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000028756602	581095445	/nfs/dbraw/zinc/09/54/45/581095445.db2.gz	JVZOJVSKVSEJNC-YUELXQCFSA-N	-2	0	365.451	2.270	1	0		FEAFRL
O=C([O-])c1ccccc1OC(=O)/C=C/C(=O)Oc1ccccc1C(=O)[O-]	ZINC000008830711	204346098	/nfs/dbraw/zinc/34/60/98/204346098.db2.gz	DMCJLRGWPYVYCQ-MDZDMXLPSA-N	-2	0	356.286	2.150	3	0	in-vitro	FEAFRL
O=[P@@]([O-])(O)[C@H](Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000040872812	205082657	/nfs/dbraw/zinc/08/26/57/205082657.db2.gz	QZTDQEVQGQAOKB-AWEZNQCLSA-N	-2	0	358.308	2.413	1	0	in-vitro	FEAFRL
COc1ccc2c(nc(-c3ccc(P(=O)([O-])[O-])o3)n2CC(C)C)c1N	ZINC000045316034	205120468	/nfs/dbraw/zinc/12/04/68/205120468.db2.gz	IBNKEBKDHXZAPY-UHFFFAOYSA-N	-2	0	365.326	2.346	1	0		FEAFRL
COc1ccc(-c2cc(NC(=O)NCC(=O)[O-])c(C(=O)[O-])s2)cc1	ZINC000103291420	205990960	/nfs/dbraw/zinc/99/09/60/205990960.db2.gz	RHUAVEAOIMMSIX-UHFFFAOYSA-N	-2	0	350.352	2.328	1	0		FEAFRL
C[C@H](n1c(-c2ccc(P(=O)([O-])[O-])o2)nc2c1ncnc2N)C(C)(C)C	ZINC000040943122	205085213	/nfs/dbraw/zinc/08/52/13/205085213.db2.gz	KHUUGXGWBNYRAZ-QMMMGPOBSA-N	-2	0	365.330	2.079	1	0		FEAFRL
Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000095556269	209079300	/nfs/dbraw/zinc/07/93/00/209079300.db2.gz	HORNJPKKXLGEPK-INIZCTEOSA-N	-2	0	365.389	2.420	1	0		FEAFRL
Cc1ncc(COP(=O)([O-])[O-])c(CNc2cccc(C(=O)[O-])c2)c1O	ZINC000002047892	210226766	/nfs/dbraw/zinc/22/67/66/210226766.db2.gz	WSOQXCGRIUHULI-UHFFFAOYSA-N	-3	0	368.282	2.015	1	0	in-vitro	FEAFRL
Nc1c2nc(-c3ccc(P(=O)([O-])[O-])o3)n(CC3CC3)c2ccc1F	ZINC000001549125	210360764	/nfs/dbraw/zinc/36/07/64/210360764.db2.gz	SLLOKLAJTOKILD-UHFFFAOYSA-N	-2	0	351.274	2.231	1	0		FEAFRL
COc1ccc(-c2cc(NC(=O)C(=O)[O-])c(C(=O)[O-])s2)cc1OC	ZINC000013491465	211035681	/nfs/dbraw/zinc/03/56/81/211035681.db2.gz	KFPIHAKMICFRGW-UHFFFAOYSA-N	-2	0	351.336	2.154	1	0		FEAFRL
COc1ccc2cc([C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2c1	ZINC000028252923	211483632	/nfs/dbraw/zinc/48/36/32/211483632.db2.gz	ZDGDKLISXIEJCD-BZNIZROVSA-N	-2	0	359.378	2.386	1	0		FEAFRL
C[C@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000073224672	581095469	/nfs/dbraw/zinc/09/54/69/581095469.db2.gz	JVZOJVSKVSEJNC-AEGPPILISA-N	-2	0	365.451	2.270	1	0		FEAFRL
COc1cc(OC)cc(-c2cc(NC(=O)C(=O)[O-])c(C(=O)[O-])s2)c1	ZINC000013491466	220069257	/nfs/dbraw/zinc/06/92/57/220069257.db2.gz	MFTGULQHVOTTAW-UHFFFAOYSA-N	-2	0	351.336	2.154	1	0		FEAFRL
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1Br	ZINC000013815552	220096681	/nfs/dbraw/zinc/09/66/81/220096681.db2.gz	ITTLWTXFEWOKLP-UHFFFAOYSA-N	-2	0	367.202	2.306	1	0		FEAFRL
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(Cl)cc1)C(=O)[O-])C2=O	ZINC000013815948	220096845	/nfs/dbraw/zinc/09/68/45/220096845.db2.gz	DYYXZVQKGQBMRM-CQSZACIVSA-N	-2	0	373.748	2.330	1	0		FEAFRL
O=C([O-])CCc1c2ccc(I)cc2[nH]c1C(=O)[O-]	ZINC000103297417	222333719	/nfs/dbraw/zinc/33/37/19/222333719.db2.gz	XMHAGVWWGNNOTI-UHFFFAOYSA-N	-2	0	359.119	2.488	1	0		FEAFRL
C[C@@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000073224673	581095434	/nfs/dbraw/zinc/09/54/34/581095434.db2.gz	JVZOJVSKVSEJNC-VHDGCEQUSA-N	-2	0	365.451	2.270	1	0		FEAFRL
Cn1c(=O)c(C(=O)CCC(=O)[O-])c([O-])c2ccc(Br)cc21	ZINC000103265041	222331052	/nfs/dbraw/zinc/33/10/52/222331052.db2.gz	GZQNECCMESWBBW-UHFFFAOYSA-N	-2	0	354.156	2.054	1	0		FEAFRL