smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Br)c3)c(=O)c1-2	ZINC000100171005	530245554	/nfs/dbraw/zinc/24/55/54/530245554.db2.gz	OREDNIMQUOTMOS-JQWIXIFHSA-N	-2	3	394.181	0.698	50	0		GCAAHL
CN(C)C(=O)CN1CCN(C[C@@H](CC(=O)Nc2ccccc2[O-])C(=O)[O-])CC1	ZINC000072403728	205345456	/nfs/dbraw/zinc/34/54/56/205345456.db2.gz	SHOMCHAXHJQXCF-CQSZACIVSA-N	-2	3	392.456	0.127	50	0		GCAAHL
Cc1cc(=NC(=O)Cc2ccccc2C(=O)[O-])n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159170	206195718	/nfs/dbraw/zinc/19/57/18/206195718.db2.gz	KTLSZVHVTNAHSN-CYBMUJFWSA-N	-2	3	377.422	0.852	50	0		GCAAHL
CC(C)(C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn[n-]n3)cc2C1	ZINC000077437576	211134612	/nfs/dbraw/zinc/13/46/12/211134612.db2.gz	DNJZFVVVEBKYFX-UHFFFAOYSA-N	-2	3	379.446	0.867	50	0		GCAAHL
CC(C)(C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnn[n-]3)cc2C1	ZINC000077437576	211134619	/nfs/dbraw/zinc/13/46/19/211134619.db2.gz	DNJZFVVVEBKYFX-UHFFFAOYSA-N	-2	3	379.446	0.867	50	0		GCAAHL
O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000033330722	570986447	/nfs/dbraw/zinc/98/64/47/570986447.db2.gz	DAUAMCRKFSMZGJ-UHFFFAOYSA-N	-2	3	392.437	0.927	50	0		GCAAHL
O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)C2)c1	ZINC000095352283	571050282	/nfs/dbraw/zinc/05/02/82/571050282.db2.gz	WUSBFARJAPRASH-GFCCVEGCSA-N	-2	3	379.394	0.330	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000101158953	530360913	/nfs/dbraw/zinc/36/09/13/530360913.db2.gz	NBJKIYUNCQGKTF-CMPLNLGQSA-N	-2	3	394.181	0.698	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000101158943	530360948	/nfs/dbraw/zinc/36/09/48/530360948.db2.gz	NBJKIYUNCQGKTF-ZYHUDNBSSA-N	-2	3	394.181	0.698	50	0		GCAAHL
CC(=O)Nc1c([O-])nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O	ZINC000001117465	209302521	/nfs/dbraw/zinc/30/25/21/209302521.db2.gz	MUJSPIPYVOBUSS-SSDOTTSWSA-N	-2	3	382.829	0.917	50	0		GCAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000004889220	204087692	/nfs/dbraw/zinc/08/76/92/204087692.db2.gz	CXZYHNBMQZRGSN-IUCAKERBSA-N	-2	3	399.144	0.281	50	0		GCAAHL
CC(C)[C@H](NC(=O)[C@H](N)CCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545849	204052435	/nfs/dbraw/zinc/05/24/35/204052435.db2.gz	FVGOGEGGQLNZGH-FMKPAKJESA-N	-2	3	393.440	0.131	50	0		GCAAHL
CN1CCN(Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)C[C@@H]1C(=O)[O-]	ZINC000067714174	205256466	/nfs/dbraw/zinc/25/64/66/205256466.db2.gz	LARDJTJURATDCS-OAHLLOKOSA-N	-2	3	391.453	0.478	50	0		GCAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100859866	211393191	/nfs/dbraw/zinc/39/31/91/211393191.db2.gz	CXZYHNBMQZRGSN-DTWKUNHWSA-N	-2	3	399.144	0.281	50	0		GCAAHL
O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000012948226	570317377	/nfs/dbraw/zinc/31/73/77/570317377.db2.gz	LZMKSLKRLINXRT-UHFFFAOYSA-N	-2	3	392.368	0.823	50	0		GCAAHL
CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004899500	570416430	/nfs/dbraw/zinc/41/64/30/570416430.db2.gz	FVGOGEGGQLNZGH-DZKIICNBSA-N	-2	3	393.440	0.131	50	0		GCAAHL
Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])[nH]c(=O)[n-]c2=O)[C@H]2CC=CCC2)n1CCO	ZINC000524734546	570771959	/nfs/dbraw/zinc/77/19/59/570771959.db2.gz	PTQODJUXHYLWLY-QWHCGFSZSA-N	-2	3	376.413	0.153	50	0		GCAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1	ZINC000033330768	570986549	/nfs/dbraw/zinc/98/65/49/570986549.db2.gz	RXCRRLUKJOMHOJ-UHFFFAOYSA-N	-2	3	378.410	0.408	50	0		GCAAHL
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CC(=O)[O-])cc21	ZINC000045795870	530184071	/nfs/dbraw/zinc/18/40/71/530184071.db2.gz	FQZAQUKLXZUMJQ-UHFFFAOYSA-N	-2	3	377.216	0.721	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Br)c3)c(=O)c1-2	ZINC000100170998	530245667	/nfs/dbraw/zinc/24/56/67/530245667.db2.gz	OREDNIMQUOTMOS-PWSUYJOCSA-N	-2	3	394.181	0.698	50	0		GCAAHL
Nc1[nH]c(=O)[n-]c(=O)c1-c1c(-c2ccc(Cl)s2)nc2[nH]c(=O)[nH]c([O-])c1-2	ZINC000009531661	204315332	/nfs/dbraw/zinc/31/53/32/204315332.db2.gz	VXNIJZXITPQOFW-UHFFFAOYSA-N	-2	3	392.784	0.552	50	0		GCAAHL
C[C@@H]1CN(c2ccc(NC(=O)c3c([O-])[nH]c(=O)[n-]c3=O)cc2F)C[C@H](C)O1	ZINC000100687409	136189167	/nfs/dbraw/zinc/18/91/67/136189167.db2.gz	CGIFBOXNUWLNBX-DTORHVGOSA-N	-2	3	378.360	0.360	50	0		GCAAHL
CC(=O)Nc1c([O-])nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O	ZINC000002751208	530116856	/nfs/dbraw/zinc/11/68/56/530116856.db2.gz	MUJSPIPYVOBUSS-ZETCQYMHSA-N	-2	3	382.829	0.917	50	0		GCAAHL
C[C@H]1CN(c2ccc(NC(=O)c3c([O-])[nH]c(=O)[n-]c3=O)cc2F)C[C@H](C)O1	ZINC000100687412	136189104	/nfs/dbraw/zinc/18/91/04/136189104.db2.gz	CGIFBOXNUWLNBX-IUCAKERBSA-N	-2	3	378.360	0.360	50	0		GCAAHL
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000033330782	570986386	/nfs/dbraw/zinc/98/63/86/570986386.db2.gz	VHTXFXXQWCIUMR-VIFPVBQESA-N	-2	3	380.426	0.701	50	0		GCAAHL
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1F	ZINC000097166179	530219666	/nfs/dbraw/zinc/21/96/66/530219666.db2.gz	HIISOYGGDASYAW-UHFFFAOYSA-N	-2	3	380.423	0.196	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000005219048	530302521	/nfs/dbraw/zinc/30/25/21/530302521.db2.gz	NBJKIYUNCQGKTF-PWSUYJOCSA-N	-2	3	394.181	0.698	50	0		GCAAHL
CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C	ZINC000170617525	530642636	/nfs/dbraw/zinc/64/26/36/530642636.db2.gz	HDVXWRKNXZCOOT-VIFPVBQESA-N	-2	3	381.451	0.342	50	0		GCAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100859870	211392712	/nfs/dbraw/zinc/39/27/12/211392712.db2.gz	CXZYHNBMQZRGSN-RKDXNWHRSA-N	-2	3	399.144	0.281	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Br)c3)c(=O)c1-2	ZINC000100170993	211383996	/nfs/dbraw/zinc/38/39/96/211383996.db2.gz	OREDNIMQUOTMOS-ZYHUDNBSSA-N	-2	3	394.181	0.698	50	0		GCAAHL
NC1=NC(=O)[C@@](I)(Cc2ccc(C(=O)[O-])cc2)C(=O)[N-]1	ZINC000006863302	530123059	/nfs/dbraw/zinc/12/30/59/530123059.db2.gz	XXRCWODFXLJTQM-UHFFFAOYSA-N	-2	3	387.133	0.072	50	0		GCAAHL
CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C	ZINC000170617526	530642392	/nfs/dbraw/zinc/64/23/92/530642392.db2.gz	HDVXWRKNXZCOOT-SECBINFHSA-N	-2	3	381.451	0.342	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3cccc(Br)c3)c(=O)c1-2	ZINC000004694757	209512406	/nfs/dbraw/zinc/51/24/06/209512406.db2.gz	OREDNIMQUOTMOS-CMPLNLGQSA-N	-2	3	394.181	0.698	50	0		GCAAHL
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)Nc3cccc(C(=O)[O-])c3)c(=O)[n-]c21	ZINC000253630368	1199047809	/nfs/dbraw/zinc/04/78/09/1199047809.db2.gz	YCIANZPFKPOCAC-UHFFFAOYSA-N	-2	3	385.336	0.404	50	0		GCAAHL
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)Nc3ccccc3C(=O)[O-])c(=O)[n-]c21	ZINC000253630342	1199048334	/nfs/dbraw/zinc/04/83/34/1199048334.db2.gz	AUMCRJKTPKAIFN-UHFFFAOYSA-N	-2	3	385.336	0.404	50	0		GCAAHL
CC[C@@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn[n-]n3)cc2C1	ZINC000077564869	208048935	/nfs/dbraw/zinc/04/89/35/208048935.db2.gz	WOSJHRZLTFINLL-SNVBAGLBSA-N	-2	3	379.446	0.867	50	0		GCAAHL
CC[C@@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnn[n-]3)cc2C1	ZINC000077564869	208048941	/nfs/dbraw/zinc/04/89/41/208048941.db2.gz	WOSJHRZLTFINLL-SNVBAGLBSA-N	-2	3	379.446	0.867	50	0		GCAAHL
CN(C)c1nc2c(c(=O)[n-]1)CCN(S(=O)(=O)c1ccc(C(=O)[O-])cc1)C2	ZINC000071551721	222185191	/nfs/dbraw/zinc/18/51/91/222185191.db2.gz	CUMJMIYRMGQTHW-UHFFFAOYSA-N	-2	3	378.410	0.281	50	0		GCAAHL
CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1	ZINC000004917844	570540705	/nfs/dbraw/zinc/54/07/05/570540705.db2.gz	ULYAXBBUXZOZKJ-UHFFFAOYSA-N	-2	3	388.405	0.909	50	0		GCAAHL
Cc1c(C)[n+]([O-])c([C@H](c2c([O-])[nH]c(=O)[n-]c2=O)C2CCCCC2)n1CCO	ZINC000524733148	570768076	/nfs/dbraw/zinc/76/80/76/570768076.db2.gz	ZCXBLOIHYMDCHR-ZDUSSCGKSA-N	-2	3	378.429	0.377	50	0		GCAAHL
O=C(COC(=O)CC[N-]S(=O)(=O)c1cccs1)[N-]C(=O)c1ccccc1	ZINC000005971445	570810677	/nfs/dbraw/zinc/81/06/77/570810677.db2.gz	PZSYNDMENCECEY-UHFFFAOYSA-N	-2	3	396.446	0.916	50	0		GCAAHL
O=C(c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O)N1CCCCCC1	ZINC000033330702	570986506	/nfs/dbraw/zinc/98/65/06/570986506.db2.gz	DSTUSXOBMMVKOZ-UHFFFAOYSA-N	-2	3	392.437	0.880	50	0		GCAAHL
Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)NCc3ccc(C(=O)[O-])cc3)c(=O)[n-]c21	ZINC000253630354	1199047723	/nfs/dbraw/zinc/04/77/23/1199047723.db2.gz	MOCORYJECJHQDC-UHFFFAOYSA-N	-2	3	399.363	0.082	50	0		GCAAHL
CCc1c([O-])nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[n-]c1=O	ZINC000002746393	530123653	/nfs/dbraw/zinc/12/36/53/530123653.db2.gz	MUWGHIPSKLJLLP-UHFFFAOYSA-N	-2	3	384.439	0.044	50	0		GCAAHL
CC[C@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn[n-]n3)cc2C1	ZINC000077564873	222285190	/nfs/dbraw/zinc/28/51/90/222285190.db2.gz	WOSJHRZLTFINLL-JTQLQIEISA-N	-2	3	379.446	0.867	50	0		GCAAHL
CC[C@H](C)NC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnn[n-]3)cc2C1	ZINC000077564873	222285192	/nfs/dbraw/zinc/28/51/92/222285192.db2.gz	WOSJHRZLTFINLL-JTQLQIEISA-N	-2	3	379.446	0.867	50	0		GCAAHL
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000033330779	570986397	/nfs/dbraw/zinc/98/63/97/570986397.db2.gz	IVOIUYAXYJWPAC-UHFFFAOYSA-N	-2	3	380.426	0.702	50	0		GCAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1	ZINC000033330771	570986375	/nfs/dbraw/zinc/98/63/75/570986375.db2.gz	KVHZENVMSQZTOE-UHFFFAOYSA-N	-2	3	392.437	0.799	50	0		GCAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc12	ZINC000002157050	212145217	/nfs/dbraw/zinc/14/52/17/212145217.db2.gz	LKODZTQYHDBBBL-UHFFFAOYSA-N	-2	3	376.365	0.365	50	0	biogenic	GCAAHL
O=S(=O)([O-])c1cc([O-])c2c(c1)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-]	ZINC000001669724	206387907	/nfs/dbraw/zinc/38/79/07/206387907.db2.gz	KMXMLAGYNHELHA-UHFFFAOYSA-N	-4	3	384.365	0.286	50	0		GCAAHL
O=C(NN1CC(=O)[N-]C1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000012526008	221202022	/nfs/dbraw/zinc/20/20/22/221202022.db2.gz	DCZRYRFSIZFFIK-UHFFFAOYSA-N	-2	3	392.368	0.823	50	0		GCAAHL
CN(C)C(=O)CN1CCN(C[C@H](CC(=O)Nc2ccccc2[O-])C(=O)[O-])CC1	ZINC000072403729	222253531	/nfs/dbraw/zinc/25/35/31/222253531.db2.gz	SHOMCHAXHJQXCF-AWEZNQCLSA-N	-2	3	392.456	0.127	50	0		GCAAHL
Cn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)[N-]C4=O)cc2n(C)c1=O	ZINC000005034808	570403601	/nfs/dbraw/zinc/40/36/01/570403601.db2.gz	XQWDVFZOZFSZTQ-UHFFFAOYSA-N	-2	3	386.389	0.561	50	0		GCAAHL
Cc1c(C)[n+]([O-])c([C@H](c2c([O-])[nH]c(=O)[n-]c2=O)[C@H]2CC=CCC2)n1CCO	ZINC000524734547	570771939	/nfs/dbraw/zinc/77/19/39/570771939.db2.gz	PTQODJUXHYLWLY-STQMWFEESA-N	-2	3	376.413	0.153	50	0		GCAAHL
Nc1[nH]c(=O)[n-]c(=O)c1-c1c(-c2ccc(Cl)cc2)nc2[nH]c(=O)[nH]c([O-])c1-2	ZINC000004772356	570976382	/nfs/dbraw/zinc/97/63/82/570976382.db2.gz	QCZCEMBGYWMSGG-UHFFFAOYSA-N	-2	3	386.755	0.491	50	0		GCAAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C	ZINC000033330784	570986371	/nfs/dbraw/zinc/98/63/71/570986371.db2.gz	FHUGISGNOLYGEC-UHFFFAOYSA-N	-2	3	380.426	0.701	50	0		GCAAHL
O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)c3c[nH]c(=O)[n-]c3=O)C2)c1	ZINC000095352284	571050262	/nfs/dbraw/zinc/05/02/62/571050262.db2.gz	WUSBFARJAPRASH-LBPRGKRZSA-N	-2	3	379.394	0.330	50	0		GCAAHL
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067880719	530208799	/nfs/dbraw/zinc/20/87/99/530208799.db2.gz	ZOZAVUKNDMLXKA-SECBINFHSA-N	-2	3	376.456	0.870	50	0		GCAAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000004889221	530267031	/nfs/dbraw/zinc/26/70/31/530267031.db2.gz	CXZYHNBMQZRGSN-BDAKNGLRSA-N	-2	3	399.144	0.281	50	0		GCAAHL
CC[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[N-][C@@H](CC)CO	ZINC000013881855	207004717	/nfs/dbraw/zinc/00/47/17/207004717.db2.gz	UNJMRZHCCOQXJU-OCAPTIKFSA-N	-2	3	382.301	0.667	50	0		GCAAHL
Cc1cc(=NC(=O)Cc2ccccc2C(=O)[O-])n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159171	209095249	/nfs/dbraw/zinc/09/52/49/209095249.db2.gz	KTLSZVHVTNAHSN-ZDUSSCGKSA-N	-2	3	377.422	0.852	50	0		GCAAHL
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[n-]c1=O	ZINC000033330780	221789598	/nfs/dbraw/zinc/78/95/98/221789598.db2.gz	VHTXFXXQWCIUMR-SECBINFHSA-N	-2	3	380.426	0.701	50	0		GCAAHL
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067880720	222165595	/nfs/dbraw/zinc/16/55/95/222165595.db2.gz	ZOZAVUKNDMLXKA-VIFPVBQESA-N	-2	3	376.456	0.870	50	0		GCAAHL
CC(C)[C@H](NC(=O)[C@H](N)CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545847	570383460	/nfs/dbraw/zinc/38/34/60/570383460.db2.gz	FVGOGEGGQLNZGH-YCPHGPKFSA-N	-2	3	393.440	0.131	50	0		GCAAHL
C[C@@]1(c2cccc([N-]S(=O)(=O)c3cnc4n3CCC4)c2)NC(=O)[N-]C1=O	ZINC000097165069	208341615	/nfs/dbraw/zinc/34/16/15/208341615.db2.gz	OKASWVLFQGVRGI-INIZCTEOSA-N	-2	3	375.410	0.685	50	0		GCAAHL
C[C@@H]1CN(c2ccc(NC(=O)c3c([O-])[nH]c(=O)[n-]c3=O)cc2F)C[C@@H](C)O1	ZINC000100687415	136189207	/nfs/dbraw/zinc/18/92/07/136189207.db2.gz	CGIFBOXNUWLNBX-RKDXNWHRSA-N	-2	3	378.360	0.360	50	0		GCAAHL
NC(=O)c1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ncccc2[O-])C3)cc1	ZINC000067673925	222153998	/nfs/dbraw/zinc/15/39/98/222153998.db2.gz	MHWBBCBETWGPGW-UHFFFAOYSA-N	-2	3	391.387	0.835	50	0		GCAAHL
Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])[nH]c(=O)[n-]c2=O)C2CCCCC2)n1CCO	ZINC000524733147	570768058	/nfs/dbraw/zinc/76/80/58/570768058.db2.gz	ZCXBLOIHYMDCHR-CYBMUJFWSA-N	-2	3	378.429	0.377	50	0		GCAAHL
COC(=O)c1[n-]n(C(C)=O)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000005219045	530302549	/nfs/dbraw/zinc/30/25/49/530302549.db2.gz	NBJKIYUNCQGKTF-JQWIXIFHSA-N	-2	3	394.181	0.698	50	0		GCAAHL
Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])[nH]c(=O)[n-]c2=O)[C@@H]2CC=CCC2)n1CCO	ZINC000524734544	570771967	/nfs/dbraw/zinc/77/19/67/570771967.db2.gz	PTQODJUXHYLWLY-CHWSQXEVSA-N	-2	3	376.413	0.153	50	0		GCAAHL
Cc1c(C)[n+]([O-])c([C@H](c2c([O-])[nH]c(=O)[n-]c2=O)[C@@H]2CC=CCC2)n1CCO	ZINC000524734545	570772023	/nfs/dbraw/zinc/77/20/23/570772023.db2.gz	PTQODJUXHYLWLY-OLZOCXBDSA-N	-2	3	376.413	0.153	50	0		GCAAHL
O=C(c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O)N1CCCCC1	ZINC000033330698	570986532	/nfs/dbraw/zinc/98/65/32/570986532.db2.gz	XFFFHXWPKLEYQK-UHFFFAOYSA-N	-2	3	378.410	0.490	50	0		GCAAHL
CC1CN(Cc2nc(=O)n(C)[n-]2)c2ccccc2N(Cc2nc(=O)n(C)[n-]2)C1	ZINC000329687169	1189724683	/nfs/dbraw/zinc/72/46/83/1189724683.db2.gz	VBMFPYZDKAAVJL-UHFFFAOYSA-N	-2	3	384.444	0.193	50	0		GCAAHL
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc(F)ccc1[O-]	ZINC000095981280	208248057	/nfs/dbraw/zinc/24/80/57/208248057.db2.gz	SMYWVSPLRVPVSI-UHFFFAOYSA-N	-2	3	375.403	0.298	50	0		GCAAHL
Cc1ccc(C)c(-c2nc3[nH]c(=O)[n-]c([O-])c-3c2-c2c(N)[nH]c(=O)[n-]c2=O)c1	ZINC000008990136	221066498	/nfs/dbraw/zinc/06/64/98/221066498.db2.gz	SDSBWRDIOONUHZ-UHFFFAOYSA-N	-3	3	380.364	0.454	50	0		GCAAHL
CN1CCN(Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)C[C@H]1C(=O)[O-]	ZINC000248030861	570440892	/nfs/dbraw/zinc/44/08/92/570440892.db2.gz	LARDJTJURATDCS-HNNXBMFYSA-N	-2	3	391.453	0.478	50	0		GCAAHL