smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc3c(c2)OCCO3)[C@@]12c1ccccc1N(C)C2=O	ZINC000102583796	130216838	/nfs/dbraw/zinc/21/68/38/130216838.db2.gz	SKSFWVBZSUXPIL-IFDPLDCXSA-N	-1	1	463.490	1.572	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@@H]2c3cc([N+](=O)[O-])ccc3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000009233218	519197659	/nfs/dbraw/zinc/19/76/59/519197659.db2.gz	FYDXYXUVXRSMCT-ZDUSSCGKSA-N	-1	1	467.394	1.071	50	30		JDEAMM
Cn1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O	ZINC000033139559	527105547	/nfs/dbraw/zinc/10/55/47/527105547.db2.gz	DGXSQWMUETUTRF-UHFFFAOYSA-N	-1	1	481.534	1.385	50	30		JDEAMM
Cc1nnc(N=NCc2cc(I)cc(I)c2[O-])n1N	ZINC000008402578	554576443	/nfs/dbraw/zinc/57/64/43/554576443.db2.gz	BENWCKGSEVHTFY-LNKIKWGQSA-N	-1	1	484.039	1.661	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@@H]2c3cccc(OC)c3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000016971906	556192242	/nfs/dbraw/zinc/19/22/42/556192242.db2.gz	MDHJKGIFBPZCTM-ZDUSSCGKSA-N	-1	1	452.423	1.171	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@H]2c3cc(Cl)ccc3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000018039717	556279187	/nfs/dbraw/zinc/27/91/87/556279187.db2.gz	ORUXYYBNIUCTSG-CYBMUJFWSA-N	-1	1	456.842	1.404	50	30		JDEAMM
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OS(=O)(=O)c1ccccc1	ZINC000018202433	556309282	/nfs/dbraw/zinc/30/92/82/556309282.db2.gz	CLCAVVWEFYYKRN-MBTVCVBTSA-N	-1	1	463.493	1.859	50	30		JDEAMM
Cn1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2c(=O)n(CC(=O)N2CCCCCC2)c1=O	ZINC000013357765	555384985	/nfs/dbraw/zinc/38/49/85/555384985.db2.gz	ZSMOXJHBJAWFRI-UHFFFAOYSA-N	-1	1	495.561	1.775	50	30		JDEAMM
COc1c(I)cc(I)cc1CN=Nc1nn[n-]n1	ZINC000013577254	555517143	/nfs/dbraw/zinc/51/71/43/555517143.db2.gz	QYZDAOHUFSJMDS-QCDXTXTGSA-N	-1	1	470.012	1.864	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@@H]2c3cc(Cl)ccc3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000018039715	556279118	/nfs/dbraw/zinc/27/91/18/556279118.db2.gz	ORUXYYBNIUCTSG-ZDUSSCGKSA-N	-1	1	456.842	1.404	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)c(OC)c3OC)C2)c1=O	ZINC000101764754	569803900	/nfs/dbraw/zinc/80/39/00/569803900.db2.gz	JQYGHBIBWLZJOJ-CQSZACIVSA-N	-1	1	458.471	1.542	50	30		JDEAMM
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccsc3C(=O)OC)C(=O)C21	ZINC000106336504	569854033	/nfs/dbraw/zinc/85/40/33/569854033.db2.gz	BXMQOBALVZAYKB-JKIFEVAISA-N	-1	1	494.481	1.509	50	30		JDEAMM
C=CCNC(=O)NC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000009442044	518906522	/nfs/dbraw/zinc/90/65/22/518906522.db2.gz	LTZHGDHPKBQHRK-UHFFFAOYSA-N	-1	1	453.423	1.934	50	30		JDEAMM
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)c2)cc1	ZINC000016115106	519732086	/nfs/dbraw/zinc/73/20/86/519732086.db2.gz	VJRQRCQLTFCTFJ-LASGFXPTSA-N	-1	1	490.519	1.809	50	30		JDEAMM
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)cc2)cc1	ZINC000016115310	519732347	/nfs/dbraw/zinc/73/23/47/519732347.db2.gz	QNKYBOBXGBOWNM-RYFGYPJOSA-N	-1	1	490.519	1.809	50	30		JDEAMM
COC(=O)[C@H](NC(=O)[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1)C(C)C	ZINC000016033860	523913210	/nfs/dbraw/zinc/91/32/10/523913210.db2.gz	ZGOMJDFCMUUEFC-JKSUJKDBSA-N	-1	1	468.532	1.357	50	30		JDEAMM
COC(=O)[C@H](NC([O-])=NS(=O)(=O)c1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1)C(C)C	ZINC000016033860	523913216	/nfs/dbraw/zinc/91/32/16/523913216.db2.gz	ZGOMJDFCMUUEFC-JKSUJKDBSA-N	-1	1	468.532	1.357	50	30		JDEAMM
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)c2)cc1	ZINC000006645346	554557753	/nfs/dbraw/zinc/55/77/53/554557753.db2.gz	QGRISHUEGBRCRW-YODDIOPGSA-N	-1	1	463.493	1.859	50	30		JDEAMM
Cn1c2ccc(S(=O)(=O)[N-]c3cccc(S(=O)(=O)N=C4CCCN4)c3)cc2oc1=O	ZINC000022903060	555964697	/nfs/dbraw/zinc/96/46/97/555964697.db2.gz	FWLQJNDTXOBDMP-UHFFFAOYSA-N	-1	1	450.498	1.403	50	30		JDEAMM
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)c2)cc1	ZINC000016115818	556126910	/nfs/dbraw/zinc/12/69/10/556126910.db2.gz	QGRISHUEGBRCRW-MBTVCVBTSA-N	-1	1	463.493	1.859	50	30		JDEAMM
COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)N=C([O-])Nc1nc(OC)cc(OC)n1	ZINC000031490224	556397800	/nfs/dbraw/zinc/39/78/00/556397800.db2.gz	DTVOKYWXACGVGO-UHFFFAOYSA-N	-1	1	465.366	1.409	50	30	in-vitro	JDEAMM
COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)[N-]C(=O)Nc1nc(OC)cc(OC)n1	ZINC000031490224	556397801	/nfs/dbraw/zinc/39/78/01/556397801.db2.gz	DTVOKYWXACGVGO-UHFFFAOYSA-N	-1	1	465.366	1.409	50	30	in-vitro	JDEAMM
COC(=O)c1cccc(C)c1S(=O)(=O)N=C([O-])Nc1nc(OCC(F)(F)F)nc(N(C)C)n1	ZINC000002384331	194160465	/nfs/dbraw/zinc/16/04/65/194160465.db2.gz	IMEVJVISCHQJRM-UHFFFAOYSA-N	-1	1	492.436	1.689	50	30	in-vitro	JDEAMM
COC(=O)c1cccc(C)c1S(=O)(=O)[N-]C(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1	ZINC000002384331	194160468	/nfs/dbraw/zinc/16/04/68/194160468.db2.gz	IMEVJVISCHQJRM-UHFFFAOYSA-N	-1	1	492.436	1.689	50	30	in-vitro	JDEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc3c(c2)OCCO3)[C@]12c1ccccc1N(C)C2=O	ZINC000102583788	130216869	/nfs/dbraw/zinc/21/68/69/130216869.db2.gz	SKSFWVBZSUXPIL-BAVOEBSPSA-N	-1	1	463.490	1.572	50	30		JDEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(I)c1OC	ZINC000009678571	521986637	/nfs/dbraw/zinc/98/66/37/521986637.db2.gz	OXGROZNJWUEFJI-WTSVEOLSSA-N	-1	1	463.253	1.705	50	30		JDEAMM
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OS(=O)(=O)c1ccccc1	ZINC000016115022	523441799	/nfs/dbraw/zinc/44/17/99/523441799.db2.gz	CLCAVVWEFYYKRN-YODDIOPGSA-N	-1	1	463.493	1.859	50	30		JDEAMM
COC(=O)[C@H](NC(=O)[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cc1)C(C)C	ZINC000016033862	523913088	/nfs/dbraw/zinc/91/30/88/523913088.db2.gz	ZGOMJDFCMUUEFC-HZPDHXFCSA-N	-1	1	468.532	1.357	50	30		JDEAMM
COC(=O)[C@H](NC([O-])=NS(=O)(=O)c1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cc1)C(C)C	ZINC000016033862	523913092	/nfs/dbraw/zinc/91/30/92/523913092.db2.gz	ZGOMJDFCMUUEFC-HZPDHXFCSA-N	-1	1	468.532	1.357	50	30		JDEAMM
COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1[N+](=O)[O-]	ZINC000012520846	525087932	/nfs/dbraw/zinc/08/79/32/525087932.db2.gz	WJEKEBRBQIKXTL-UHFFFAOYSA-N	-1	1	454.486	1.875	50	30		JDEAMM
O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009544302	527379297	/nfs/dbraw/zinc/37/92/97/527379297.db2.gz	MRSQEIWZYRDEQB-UHFFFAOYSA-N	-1	1	476.427	1.942	50	30		JDEAMM
C#CCOc1c(I)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000002984948	554419101	/nfs/dbraw/zinc/41/91/01/554419101.db2.gz	BOQAVXSRTWEDTM-UHFFFAOYSA-N	-1	1	456.261	1.616	50	30		JDEAMM
CCc1nnc(N=NCc2cc(I)cc(I)c2[O-])n1N	ZINC000008402538	554576423	/nfs/dbraw/zinc/57/64/23/554576423.db2.gz	DCQBLDVKGKUSCO-PJQLUOCWSA-N	-1	1	498.066	1.915	50	30		JDEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)n[n-]c1=S	ZINC000023131035	556019720	/nfs/dbraw/zinc/01/97/20/556019720.db2.gz	KUIQMUYFXLUCTD-UHFFFAOYSA-N	-1	1	470.540	1.372	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@@H]2c3cc(OC)ccc3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000017027482	556206905	/nfs/dbraw/zinc/20/69/05/556206905.db2.gz	DYUOWVJBQWZNPU-AWEZNQCLSA-N	-1	1	452.423	1.171	50	30		JDEAMM
N#Cc1c(N)n[nH]c1CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000008706634	569594493	/nfs/dbraw/zinc/59/44/93/569594493.db2.gz	KLUZQSMFHSLQAP-UHFFFAOYSA-N	-1	1	468.495	1.756	50	30		JDEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)c1	ZINC000085651812	569713431	/nfs/dbraw/zinc/71/34/31/569713431.db2.gz	NIRJJTOGQIHHCX-UHFFFAOYSA-N	-1	1	458.521	1.594	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)c(OC)c3OC)C2)c1=O	ZINC000101764750	569803776	/nfs/dbraw/zinc/80/37/76/569803776.db2.gz	JQYGHBIBWLZJOJ-AWEZNQCLSA-N	-1	1	458.471	1.542	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O	ZINC000101764741	569803976	/nfs/dbraw/zinc/80/39/76/569803976.db2.gz	HYDUGRPOEAZEAC-AWEZNQCLSA-N	-1	1	458.471	1.542	50	30		JDEAMM
O=C([O-])c1cccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1	ZINC000252621346	570087325	/nfs/dbraw/zinc/08/73/25/570087325.db2.gz	MWEFVOVTAZZKIH-UHFFFAOYSA-N	-1	1	479.497	1.949	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@H]2c3cc([N+](=O)[O-])ccc3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000009233221	519197092	/nfs/dbraw/zinc/19/70/92/519197092.db2.gz	FYDXYXUVXRSMCT-CYBMUJFWSA-N	-1	1	467.394	1.071	50	30		JDEAMM
COC(=O)Cc1cc(=O)[n-]c(NC(=NC(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)n1	ZINC000015231456	523364559	/nfs/dbraw/zinc/36/45/59/523364559.db2.gz	BZHIYTKVHLWRDL-UHFFFAOYSA-N	-1	1	463.450	1.977	50	30		JDEAMM
COc1ccc(S(=O)(=O)Oc2ccc(/C=N\N=C3/NC(=O)C(CC(=O)[O-])S3)cc2OC)cc1	ZINC000033497996	525091037	/nfs/dbraw/zinc/09/10/37/525091037.db2.gz	QGXSDPKZGFGEDP-LASGFXPTSA-N	-1	1	493.519	1.868	50	30		JDEAMM
N#Cc1c(N)n[nH]c1CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1	ZINC000012506372	526526952	/nfs/dbraw/zinc/52/69/52/526526952.db2.gz	HHJOCCQGWWIYSW-GOSISDBHSA-N	-1	1	494.581	1.649	50	30		JDEAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2c(=O)n(CC(=O)N2CCCCCC2)c1=O	ZINC000013357756	527105090	/nfs/dbraw/zinc/10/50/90/527105090.db2.gz	RJDZJANYAAFCEJ-UHFFFAOYSA-N	-1	1	495.561	1.775	50	30		JDEAMM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O	ZINC000033139558	527105571	/nfs/dbraw/zinc/10/55/71/527105571.db2.gz	LREAZRQLBBKLMM-UHFFFAOYSA-N	-1	1	481.534	1.385	50	30		JDEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(I)c1OC	ZINC000006603397	554556404	/nfs/dbraw/zinc/55/64/04/554556404.db2.gz	OXGROZNJWUEFJI-JIURPICXSA-N	-1	1	463.253	1.705	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@H]2c3cc(OC)ccc3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000013817363	555629735	/nfs/dbraw/zinc/62/97/35/555629735.db2.gz	DYUOWVJBQWZNPU-CQSZACIVSA-N	-1	1	452.423	1.171	50	30		JDEAMM
C=CCn1c(Cc2csc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)n2)n[n-]c1=S	ZINC000023041951	556001410	/nfs/dbraw/zinc/00/14/10/556001410.db2.gz	CGWKIGZFJOOKKN-UHFFFAOYSA-N	-1	1	483.587	1.862	50	30		JDEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)NC1=O	ZINC000015857628	556025193	/nfs/dbraw/zinc/02/51/93/556025193.db2.gz	OZLGBWRKGBTNBY-GDXCHIGESA-N	-1	1	478.464	1.759	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c([C@H]2c3cccc(OC)c3Oc3[nH]c(=O)n(CC=C)c(=O)c32)c1=O	ZINC000016971912	556192252	/nfs/dbraw/zinc/19/22/52/556192252.db2.gz	MDHJKGIFBPZCTM-CYBMUJFWSA-N	-1	1	452.423	1.171	50	30		JDEAMM
COc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)ccc1NC(C)=O	ZINC000025572358	556221879	/nfs/dbraw/zinc/22/18/79/556221879.db2.gz	DADWEKPFUOBCCN-UHFFFAOYSA-N	-1	1	466.541	1.925	50	30		JDEAMM
Cc1nnc(N=NCc2cc(I)cc(I)c2[O-])n1N	ZINC000252592275	570084150	/nfs/dbraw/zinc/08/41/50/570084150.db2.gz	BENWCKGSEVHTFY-UHFFFAOYSA-N	-1	1	484.039	1.661	50	30		JDEAMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)NCCC(=O)[O-])C1=O)O2	ZINC000253412187	570097874	/nfs/dbraw/zinc/09/78/74/570097874.db2.gz	QDQKPMVKDKYAQJ-OBZJUVQRSA-N	-1	1	486.477	1.139	50	30	biogenic	JDEAMM
N#Cc1c(N)n[nH]c1CCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1	ZINC000012506369	526526485	/nfs/dbraw/zinc/52/64/85/526526485.db2.gz	HHJOCCQGWWIYSW-SFHVURJKSA-N	-1	1	494.581	1.649	50	30		JDEAMM
N#Cc1c(N)n[nH]c1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000009744132	555475770	/nfs/dbraw/zinc/47/57/70/555475770.db2.gz	AZEQALILZPEIQH-UHFFFAOYSA-N	-1	1	482.522	1.798	50	30		JDEAMM
CCc1nnc(N=NCc2cc(I)cc(I)c2[O-])n1N	ZINC000252598718	570084803	/nfs/dbraw/zinc/08/48/03/570084803.db2.gz	DCQBLDVKGKUSCO-UHFFFAOYSA-N	-1	1	498.066	1.915	50	30		JDEAMM
CCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1	ZINC000012630653	195062509	/nfs/dbraw/zinc/06/25/09/195062509.db2.gz	HWTPTTJKZGHLHV-UHFFFAOYSA-N	-1	1	451.526	1.779	50	30		JDEAMM
COC(=O)[C@@H](NC(=O)[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cc1)C(C)C	ZINC000016033861	523603282	/nfs/dbraw/zinc/60/32/82/523603282.db2.gz	ZGOMJDFCMUUEFC-CVEARBPZSA-N	-1	1	468.532	1.357	50	30		JDEAMM
COC(=O)[C@@H](NC([O-])=NS(=O)(=O)c1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cc1)C(C)C	ZINC000016033861	523603290	/nfs/dbraw/zinc/60/32/90/523603290.db2.gz	ZGOMJDFCMUUEFC-CVEARBPZSA-N	-1	1	468.532	1.357	50	30		JDEAMM
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)c2)cc1	ZINC000005456242	554491302	/nfs/dbraw/zinc/49/13/02/554491302.db2.gz	VJRQRCQLTFCTFJ-RYFGYPJOSA-N	-1	1	490.519	1.809	50	30		JDEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)cc1	ZINC000085651798	569713499	/nfs/dbraw/zinc/71/34/99/569713499.db2.gz	GDGHYEHAZGFKAT-UHFFFAOYSA-N	-1	1	458.521	1.594	50	30		JDEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCOCC2)c1	ZINC000095841921	569728998	/nfs/dbraw/zinc/72/89/98/569728998.db2.gz	MTEWBGGIKQDTMJ-UHFFFAOYSA-N	-1	1	472.548	1.984	50	30		JDEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCOCC2)cc1	ZINC000095841944	569729109	/nfs/dbraw/zinc/72/91/09/569729109.db2.gz	CXRDYWPFVHOUCM-UHFFFAOYSA-N	-1	1	472.548	1.984	50	30		JDEAMM
C=CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1ccccc1C(=O)OC)C2	ZINC000015069781	518958663	/nfs/dbraw/zinc/95/86/63/518958663.db2.gz	GACGVVKUWYJVNT-UHFFFAOYSA-N	-1	1	478.548	1.984	50	30		JDEAMM
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)cc2)cc1	ZINC000016115308	519732253	/nfs/dbraw/zinc/73/22/53/519732253.db2.gz	QNKYBOBXGBOWNM-LASGFXPTSA-N	-1	1	490.519	1.809	50	30		JDEAMM
COc1ccc(S(=O)(=O)Oc2ccc(/C=N\N=C3/NC(=O)C(CC(=O)[O-])S3)cc2OC)cc1	ZINC000033497998	525091517	/nfs/dbraw/zinc/09/15/17/525091517.db2.gz	QGXSDPKZGFGEDP-RYFGYPJOSA-N	-1	1	493.519	1.868	50	30		JDEAMM
O=C([O-])c1cccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1	ZINC000009296499	526387624	/nfs/dbraw/zinc/38/76/24/526387624.db2.gz	MWEFVOVTAZZKIH-BUVRLJJBSA-N	-1	1	479.497	1.949	50	30		JDEAMM
O=C(COc1cc([O-])c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)ON1C(=O)CCC1=O	ZINC000001280533	553939714	/nfs/dbraw/zinc/93/97/14/553939714.db2.gz	LZSPAQFZXIZXIY-UHFFFAOYSA-N	-1	1	467.386	1.923	50	30		JDEAMM
O=C(COc1cc(=O)c2c([O-])c(-c3ccc4c(c3)OCCO4)coc-2c1)ON1C(=O)CCC1=O	ZINC000001280533	553939718	/nfs/dbraw/zinc/93/97/18/553939718.db2.gz	LZSPAQFZXIZXIY-UHFFFAOYSA-N	-1	1	467.386	1.923	50	30		JDEAMM
C=CCn1c(=O)[nH]c([O-])c(C2=NN(C(=O)CC)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O	ZINC000101764744	569803853	/nfs/dbraw/zinc/80/38/53/569803853.db2.gz	HYDUGRPOEAZEAC-CQSZACIVSA-N	-1	1	458.471	1.542	50	30		JDEAMM