smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000001030284	194005852	/nfs/dbraw/zinc/00/58/52/194005852.db2.gz	FMEDEMQOSFQPTG-UHFFFAOYSA-N	-1	1	451.570	2.288	50	30		JEEAMM
Cc1ccc(S(=O)(=O)N=C([O-])NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000001030284	194005854	/nfs/dbraw/zinc/00/58/54/194005854.db2.gz	FMEDEMQOSFQPTG-UHFFFAOYSA-N	-1	1	451.570	2.288	50	30		JEEAMM
C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)OCC)C(=O)[N-]C1=S	ZINC000009260190	518823949	/nfs/dbraw/zinc/82/39/49/518823949.db2.gz	MXXPQCQEMVWWIG-UKTHLTGXSA-N	-1	1	453.314	2.204	50	30		JEEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000021712966	518929058	/nfs/dbraw/zinc/92/90/58/518929058.db2.gz	JNIBFFJZEPXOCA-LJQANCHMSA-N	-1	1	473.551	2.411	50	30		JEEAMM
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)cc2)cc1[N+](=O)[O-]	ZINC000016115501	525625957	/nfs/dbraw/zinc/62/59/57/525625957.db2.gz	QZPRWSHXYJBSCG-UWSDUSPXSA-N	-1	1	492.491	2.067	50	30		JEEAMM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(S(=O)(=O)N=C4CCCN4)c3)ccc21	ZINC000023909332	556101075	/nfs/dbraw/zinc/10/10/75/556101075.db2.gz	JWOAAJJKMVNFQG-UHFFFAOYSA-N	-1	1	476.580	2.257	50	30		JEEAMM
COC(=O)C[C@@H](c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218309754	569883250	/nfs/dbraw/zinc/88/32/50/569883250.db2.gz	HVKKEGPXHKLIPR-YOEHRIQHSA-N	-1	1	472.519	2.398	50	30		JEEAMM
C=CCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OCC)cc2Br)C(=O)[N-]C1=S	ZINC000001012754	553899745	/nfs/dbraw/zinc/89/97/45/553899745.db2.gz	VYXLKMOCSVMXBK-KPKJPENVSA-N	-1	1	483.340	2.212	50	30		JEEAMM
C=CCN1C(=O)/C(=C\c2cc(I)c(O)c(OCC)c2)C(=O)[N-]C1=S	ZINC000001201810	553931979	/nfs/dbraw/zinc/93/19/79/553931979.db2.gz	YYNZAFJJRQGJDG-POHAHGRESA-N	-1	1	458.277	2.208	50	30		JEEAMM
N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@H](C1=O)[C@H](CCC(=O)[O-])N[C@]31C(=O)Nc3ccccc31)CCCC2	ZINC000006498679	554546659	/nfs/dbraw/zinc/54/66/59/554546659.db2.gz	HQXWOTGBDHTKKO-HOKASXAUSA-N	-1	1	490.541	2.288	50	30		JEEAMM
COC(=O)c1ccccc1S(=O)(=O)N=C([O-])Nc1nc(OC(F)F)cc(OC(F)F)n1	ZINC000002565248	194162060	/nfs/dbraw/zinc/16/20/60/194162060.db2.gz	ZTYVMAQSHCZXLF-UHFFFAOYSA-N	-1	1	468.341	2.181	50	30		JEEAMM
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1	ZINC000002565248	194162063	/nfs/dbraw/zinc/16/20/63/194162063.db2.gz	ZTYVMAQSHCZXLF-UHFFFAOYSA-N	-1	1	468.341	2.181	50	30		JEEAMM
C=CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)[C@H](OC)c1ccccc1)C2	ZINC000014992241	518959372	/nfs/dbraw/zinc/95/93/72/518959372.db2.gz	ZQSIUBBOZLPHBC-GOSISDBHSA-N	-1	1	464.565	2.271	50	30		JEEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@]2(C(=O)OC)N2CCOCC2)cc1	ZINC000009008727	520880299	/nfs/dbraw/zinc/88/02/99/520880299.db2.gz	ALNCNSZNTUAPOU-RUZDIDTESA-N	-1	1	466.490	2.328	50	30		JEEAMM
COC(=O)[C@]1(N2CCOCC2)C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1ccccc1	ZINC000008816806	554698754	/nfs/dbraw/zinc/69/87/54/554698754.db2.gz	OBSCKFPKXBTPHG-AWXSUDRSSA-N	-1	1	456.882	2.427	50	30		JEEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1	ZINC000006296466	569588934	/nfs/dbraw/zinc/58/89/34/569588934.db2.gz	MTQZCUMBUHQBLJ-UHFFFAOYSA-N	-1	1	453.520	2.382	50	30		JEEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N3CCOCC3)c(=O)c2c1	ZINC000006296466	569588935	/nfs/dbraw/zinc/58/89/35/569588935.db2.gz	MTQZCUMBUHQBLJ-UHFFFAOYSA-N	-1	1	453.520	2.382	50	30		JEEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(Br)c2)C(=O)[N-]C1=S	ZINC000009260187	518826440	/nfs/dbraw/zinc/82/64/40/518826440.db2.gz	UYZXHJIEYHIHJH-XYOKQWHBSA-N	-1	1	453.314	2.204	50	30		JEEAMM
C=CCNC(=O)[C@H](C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl	ZINC000021604884	518924742	/nfs/dbraw/zinc/92/47/42/518924742.db2.gz	UYBDUVNLXTUVKM-QMMMGPOBSA-N	-1	1	474.160	2.268	50	30		JEEAMM
COc1ccc(C(=O)Oc2cc(/C=N\N=C3/NC(=O)C(CC(=O)[O-])S3)ccc2OC)cc1	ZINC000016115727	523774809	/nfs/dbraw/zinc/77/48/09/523774809.db2.gz	NTHLETHJLDQWIZ-CBVHTYNASA-N	-1	1	457.464	2.319	50	30		JEEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020310223	555768398	/nfs/dbraw/zinc/76/83/98/555768398.db2.gz	LDYACUDZHKEOSY-HXUWFJFHSA-N	-1	1	454.479	2.327	50	30		JEEAMM
Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000065319033	569673563	/nfs/dbraw/zinc/67/35/63/569673563.db2.gz	HPONJBKAIRLOFE-UHFFFAOYSA-N	-1	1	453.480	2.190	50	30		JEEAMM
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C(=O)C21	ZINC000106336482	569854016	/nfs/dbraw/zinc/85/40/16/569854016.db2.gz	XMIZPJRBHMBFNQ-JTDSTZFVSA-N	-1	1	464.861	2.314	50	30		JEEAMM
COC(=O)C[C@@H](c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218309656	569883216	/nfs/dbraw/zinc/88/32/16/569883216.db2.gz	HVKKEGPXHKLIPR-PBHICJAKSA-N	-1	1	472.519	2.398	50	30		JEEAMM
COC(=O)[C@@]1(N2CCOCC2)C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1ccccc1	ZINC000102501300	130155502	/nfs/dbraw/zinc/15/55/02/130155502.db2.gz	OBSCKFPKXBTPHG-KIYMODEPSA-N	-1	1	456.882	2.427	50	30		JEEAMM
COC(=O)Cc1cc(=O)[n-]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1	ZINC000008727990	523365072	/nfs/dbraw/zinc/36/50/72/523365072.db2.gz	MGWJKKPIJIORBK-UHFFFAOYSA-N	-1	1	455.496	2.148	50	30		JEEAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NN3CC(=O)C(c4ccccc4)=C3N)c2)cc1	ZINC000003216415	524694840	/nfs/dbraw/zinc/69/48/40/524694840.db2.gz	GWKPDVJORDBPEE-UHFFFAOYSA-N	-1	1	478.530	2.353	50	30		JEEAMM
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)c(C(=O)[O-])c2)c1	ZINC000032961669	524878788	/nfs/dbraw/zinc/87/87/88/524878788.db2.gz	WKGHFSPWIOTOMX-UHFFFAOYSA-N	-1	1	474.539	2.238	50	30		JEEAMM
[O-]c1c(Cl)cc(Br)cc1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000009296497	526324362	/nfs/dbraw/zinc/32/43/62/526324362.db2.gz	ODGHTGOKQHCSLM-SRZZPIQSSA-N	-1	1	498.769	2.112	50	30		JEEAMM
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/N=C3\NC(=O)C(CC(=O)[O-])S3)cc2)cc1[N+](=O)[O-]	ZINC000006489070	554545930	/nfs/dbraw/zinc/54/59/30/554545930.db2.gz	QZPRWSHXYJBSCG-OVEPSTSESA-N	-1	1	492.491	2.067	50	30		JEEAMM
C=CCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc(OC)c1OC	ZINC000014229109	555736384	/nfs/dbraw/zinc/73/63/84/555736384.db2.gz	LZHLYIJNNHJGAM-UHFFFAOYSA-N	-1	1	462.524	2.411	50	30		JEEAMM
COCCN1C(=O)C(=CNc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C(=O)[N-]C1=S	ZINC000105210070	569852752	/nfs/dbraw/zinc/85/27/52/569852752.db2.gz	UJYPGZCXVKAOAO-PDGQHHTCSA-N	-1	1	453.524	2.160	50	30		JEEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@]2(C(=O)OC)N2CCOCC2)cc1	ZINC000013786212	555618799	/nfs/dbraw/zinc/61/87/99/555618799.db2.gz	ALNCNSZNTUAPOU-VWLOTQADSA-N	-1	1	466.490	2.328	50	30		JEEAMM
Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000065319030	569673570	/nfs/dbraw/zinc/67/35/70/569673570.db2.gz	GHLVXOMAPMWGBX-UHFFFAOYSA-N	-1	1	453.480	2.190	50	30		JEEAMM
COC(=O)C[C@H](c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218309622	569883253	/nfs/dbraw/zinc/88/32/53/569883253.db2.gz	HVKKEGPXHKLIPR-RHSMWYFYSA-N	-1	1	472.519	2.398	50	30		JEEAMM
CN(CCC#N)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)c2c1	ZINC000009495528	522674982	/nfs/dbraw/zinc/67/49/82/522674982.db2.gz	MHIMSXMYSXXNMH-SFHVURJKSA-N	-1	1	498.561	2.477	50	30		JEEAMM
Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4ccc(C#N)cc4)CC3)CC2)c1	ZINC000062613325	569613039	/nfs/dbraw/zinc/61/30/39/569613039.db2.gz	LWNMIQPIZCZEAV-UHFFFAOYSA-N	-1	1	483.594	2.257	50	30		JEEAMM
C=CCNC(=O)NC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000003303369	518907220	/nfs/dbraw/zinc/90/72/20/518907220.db2.gz	UNOUTGZCWUUFPA-UHFFFAOYSA-N	-1	1	496.339	2.419	50	30		JEEAMM
O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1	ZINC000022018965	527160503	/nfs/dbraw/zinc/16/05/03/527160503.db2.gz	MWJSVQAPIUOCCW-UHFFFAOYSA-N	-1	1	451.526	2.119	50	30		JEEAMM
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCN(CCC#N)CC3)cc2C(=O)[O-])c1	ZINC000033006985	569615036	/nfs/dbraw/zinc/61/50/36/569615036.db2.gz	YBIHGGPNYUJUIJ-UHFFFAOYSA-N	-1	1	474.539	2.238	50	30		JEEAMM
COC(=O)C[C@H](c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000218309709	569883211	/nfs/dbraw/zinc/88/32/11/569883211.db2.gz	HVKKEGPXHKLIPR-WMLDXEAASA-N	-1	1	472.519	2.398	50	30		JEEAMM
COC(=O)C[C@@H](c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000230483018	570046396	/nfs/dbraw/zinc/04/63/96/570046396.db2.gz	RGDYBDZDRUEEGS-PBHICJAKSA-N	-1	1	472.519	2.241	50	30		JEEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@]2(C(=O)OC)N2CCOCC2)cc1	ZINC000102540115	130195111	/nfs/dbraw/zinc/19/51/11/130195111.db2.gz	XFODXOXWVLUPIM-LOMRAVHASA-N	-1	1	466.490	2.172	50	30		JEEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000021712969	518919502	/nfs/dbraw/zinc/91/95/02/518919502.db2.gz	JNIBFFJZEPXOCA-IBGZPJMESA-N	-1	1	473.551	2.411	50	30		JEEAMM
C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	ZINC000002915186	519005483	/nfs/dbraw/zinc/00/54/83/519005483.db2.gz	RVGQVPSLDWMEBW-UHFFFAOYSA-N	-1	1	458.277	2.169	50	30		JEEAMM
COC(=O)c1ccc([O-])c(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)c1	ZINC000016322853	522135353	/nfs/dbraw/zinc/13/53/53/522135353.db2.gz	RSJXDYAYPDHBIW-ZVHZXABRSA-N	-1	1	486.550	2.269	50	30		JEEAMM
C=CCN1C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)C(=O)[N-]C1=S	ZINC000001154577	553918205	/nfs/dbraw/zinc/91/82/05/553918205.db2.gz	UDILWVUBZJCOQE-UXBLZVDNSA-N	-1	1	458.277	2.121	50	30		JEEAMM
COC(=O)C[C@@H](c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000230483054	570046388	/nfs/dbraw/zinc/04/63/88/570046388.db2.gz	RGDYBDZDRUEEGS-YOEHRIQHSA-N	-1	1	472.519	2.241	50	30		JEEAMM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@]2(C(=O)OC)N2CCOCC2)cc1	ZINC000102540108	130195075	/nfs/dbraw/zinc/19/50/75/130195075.db2.gz	XFODXOXWVLUPIM-NJCFQMBCSA-N	-1	1	466.490	2.172	50	30		JEEAMM
C=CCOc1c(I)cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OC	ZINC000016115786	556126571	/nfs/dbraw/zinc/12/65/71/556126571.db2.gz	AIIJGUBQXMXVDS-MEBUONCMSA-N	-1	1	489.291	2.261	50	30		JEEAMM
C=CCn1c(Cc2csc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)n2)n[n-]c1=S	ZINC000026093827	556240999	/nfs/dbraw/zinc/24/09/99/556240999.db2.gz	UFGBMIIPSALGRD-UHFFFAOYSA-N	-1	1	469.552	2.206	50	30		JEEAMM
Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000040152805	569820380	/nfs/dbraw/zinc/82/03/80/569820380.db2.gz	DHWGHYKILRDMCL-UHFFFAOYSA-N	-1	1	471.477	2.151	50	30		JEEAMM
O=C([O-])c1cccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCCOC4)n3)o2)c1	ZINC000004113370	526386921	/nfs/dbraw/zinc/38/69/21/526386921.db2.gz	CZGZALQJKUUDQO-ZVHZXABRSA-N	-1	1	479.497	2.297	50	30		JEEAMM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1	ZINC000022201062	526981911	/nfs/dbraw/zinc/98/19/11/526981911.db2.gz	RINVGIWRXUACLW-UHFFFAOYSA-N	-1	1	462.553	2.085	50	30		JEEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020310221	555768423	/nfs/dbraw/zinc/76/84/23/555768423.db2.gz	LDYACUDZHKEOSY-FQEVSTJZSA-N	-1	1	454.479	2.327	50	30		JEEAMM
COC(=O)C[C@H](c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000230482977	570046409	/nfs/dbraw/zinc/04/64/09/570046409.db2.gz	RGDYBDZDRUEEGS-WMLDXEAASA-N	-1	1	472.519	2.241	50	30		JEEAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCC#N	ZINC000002772644	554337752	/nfs/dbraw/zinc/33/77/52/554337752.db2.gz	KDSQWIHBTXSVKL-UHFFFAOYSA-N	-1	1	473.077	2.262	50	30		JEEAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCC#N	ZINC000002772644	554337753	/nfs/dbraw/zinc/33/77/53/554337753.db2.gz	KDSQWIHBTXSVKL-UHFFFAOYSA-N	-1	1	473.077	2.262	50	30		JEEAMM
C=CCNC(=O)NC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000009633610	555337415	/nfs/dbraw/zinc/33/74/15/555337415.db2.gz	DOXFTWMAJRYBDW-UHFFFAOYSA-N	-1	1	496.339	2.419	50	30		JEEAMM
C=CCNC(=O)[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl	ZINC000021604883	518913639	/nfs/dbraw/zinc/91/36/39/518913639.db2.gz	UYBDUVNLXTUVKM-MRVPVSSYSA-N	-1	1	474.160	2.268	50	30		JEEAMM
CN(CCC#N)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(Cc3ccco3)C[C@H]3CCCO3)c(=O)c2c1	ZINC000009495532	522673540	/nfs/dbraw/zinc/67/35/40/522673540.db2.gz	MHIMSXMYSXXNMH-GOSISDBHSA-N	-1	1	498.561	2.477	50	30		JEEAMM
N#CCCN1CCN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2C(=O)[O-])CC1	ZINC000032961687	556578681	/nfs/dbraw/zinc/57/86/81/556578681.db2.gz	ZPMFBGXICSADDN-UHFFFAOYSA-N	-1	1	450.467	2.499	50	30		JEEAMM
COC(=O)C[C@H](c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000230482934	570046403	/nfs/dbraw/zinc/04/64/03/570046403.db2.gz	RGDYBDZDRUEEGS-RHSMWYFYSA-N	-1	1	472.519	2.241	50	30		JEEAMM
N#Cc1c(N)n[nH]c1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000009915539	195023100	/nfs/dbraw/zinc/02/31/00/195023100.db2.gz	XMYVEZGNAUBRGK-UHFFFAOYSA-N	-1	1	496.549	2.188	50	30		JEEAMM
C=CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)OCC)cc2Br)C(=O)[N-]C1=S	ZINC000016682822	518832214	/nfs/dbraw/zinc/83/22/14/518832214.db2.gz	VYXLKMOCSVMXBK-GHXNOFRVSA-N	-1	1	483.340	2.212	50	30		JEEAMM
CCOC(=O)/C(=C/c1cc(Cl)c([O-])c(OC)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000033498959	520392157	/nfs/dbraw/zinc/39/21/57/520392157.db2.gz	PLHKCBPMRYHVJB-RIYZIHGNSA-N	-1	1	479.894	2.415	50	30		JEEAMM
COc1ccc(C(=O)Oc2cc(/C=N\N=C3/NC(=O)C(CC(=O)[O-])S3)ccc2OC)cc1	ZINC000016115726	523772680	/nfs/dbraw/zinc/77/26/80/523772680.db2.gz	NTHLETHJLDQWIZ-ZTBJCTOSSA-N	-1	1	457.464	2.319	50	30		JEEAMM
C=CCOc1c(I)cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OC	ZINC000006603456	554556377	/nfs/dbraw/zinc/55/63/77/554556377.db2.gz	AIIJGUBQXMXVDS-VGTRTNLYSA-N	-1	1	489.291	2.261	50	30		JEEAMM
C=CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)[C@@H](OC)c1ccccc1)C2	ZINC000014992243	518958774	/nfs/dbraw/zinc/95/87/74/518958774.db2.gz	ZQSIUBBOZLPHBC-SFHVURJKSA-N	-1	1	464.565	2.271	50	30		JEEAMM
Cc1ccc(S(=O)([O-])=NC(=O)NCCCN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1	ZINC000019834521	555506243	/nfs/dbraw/zinc/50/62/43/555506243.db2.gz	PXTADQUMLBHANW-UHFFFAOYSA-N	-1	1	486.520	2.208	50	30		JEEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCCCN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1	ZINC000019834521	555506247	/nfs/dbraw/zinc/50/62/47/555506247.db2.gz	PXTADQUMLBHANW-UHFFFAOYSA-N	-1	1	486.520	2.208	50	30		JEEAMM