smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4nccs4)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1	ZINC000012428649	526394034	/nfs/dbraw/zinc/39/40/34/526394034.db2.gz	DORMNIVSDNEPEU-OOJWRZEZSA-N	-1	1	481.599	4.939	2	0		JJAFMM
O=C1[N-]C(=O)C(=C2CN(Cc3ccc(/C=C/c4ccccc4)cc3)S(=O)(=O)c3ccccc32)S1	ZINC000006011853	562936388	/nfs/dbraw/zinc/93/63/88/562936388.db2.gz	QQFWOXRXMMSVEV-HOLJHOGPSA-N	-1	1	488.590	4.756	1	0		JJAFMM
CC[NH+](CC)CCSc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964735	563008813	/nfs/dbraw/zinc/00/88/13/563008813.db2.gz	CARQQZCXJJWMAJ-UHFFFAOYSA-N	-1	1	480.627	4.637	1	0		JJAFMM
CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nnn[n-]4)cc3OC)c2c1	ZINC000026487473	563028420	/nfs/dbraw/zinc/02/84/20/563028420.db2.gz	YDNSVRRNOWIEJT-KRWDZBQOSA-N	-1	1	489.580	4.619	1	0		JJAFMM
CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nn[n-]n4)cc3OC)c2c1	ZINC000026487473	563028421	/nfs/dbraw/zinc/02/84/21/563028421.db2.gz	YDNSVRRNOWIEJT-KRWDZBQOSA-N	-1	1	489.580	4.619	1	0		JJAFMM
CCc1c(Cc2cccc(Br)c2)nc(SCC(=O)c2ccc(OC)cc2)[n-]c1=O	ZINC000029058262	563093745	/nfs/dbraw/zinc/09/37/45/563093745.db2.gz	WOEOEEQHUOVNNI-UHFFFAOYSA-N	-1	1	473.392	4.669	1	0		JJAFMM
CCOC(=O)c1[n-]c(C(=O)c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1Br	ZINC000029123817	563094367	/nfs/dbraw/zinc/09/43/67/563094367.db2.gz	BQKLQYHEAXSDIY-UHFFFAOYSA-N	-1	1	458.308	4.869	1	0		JJAFMM
c1nn2c(ncc(-c3ccc(OCc4ccncc4)cc3)c2C2CCCCC2)c1-c1nnn[n-]1	ZINC000034820064	563116573	/nfs/dbraw/zinc/11/65/73/563116573.db2.gz	MCJRXWDCZAYKLU-UHFFFAOYSA-N	-1	1	452.522	4.598	1	0		JJAFMM
c1nn2c(ncc(-c3ccc(OCc4ccncc4)cc3)c2C2CCCCC2)c1-c1nn[n-]n1	ZINC000034820064	563116574	/nfs/dbraw/zinc/11/65/74/563116574.db2.gz	MCJRXWDCZAYKLU-UHFFFAOYSA-N	-1	1	452.522	4.598	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@H](COCC(=O)OC)c1ccccc1	ZINC000038149604	563131995	/nfs/dbraw/zinc/13/19/95/563131995.db2.gz	KPCMZDDOZHFXBR-GOSISDBHSA-N	-1	1	479.417	4.756	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@@H](COCC(=O)N(C)C)c1ccccc1	ZINC000038149601	563132026	/nfs/dbraw/zinc/13/20/26/563132026.db2.gz	HSXPHPZTVBAFKE-IBGZPJMESA-N	-1	1	492.460	4.671	1	0		JJAFMM
Cn1c2ccccc2nc1N(Cc1ccc(C(=O)Nc2nnn[n-]2)cc1)c1ccc(C(C)(C)C)cc1	ZINC000040862644	563150451	/nfs/dbraw/zinc/15/04/51/563150451.db2.gz	PQWFMLLNMPZMAX-UHFFFAOYSA-N	-1	1	480.576	4.975	1	0		JJAFMM
Cn1c2ccccc2nc1N(Cc1ccc(C(=O)Nc2nn[n-]n2)cc1)c1ccc(C(C)(C)C)cc1	ZINC000040862644	563150452	/nfs/dbraw/zinc/15/04/52/563150452.db2.gz	PQWFMLLNMPZMAX-UHFFFAOYSA-N	-1	1	480.576	4.975	1	0		JJAFMM
CN(C)CC(=O)N1CCn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2C1	ZINC000040935317	563157657	/nfs/dbraw/zinc/15/76/57/563157657.db2.gz	MJNOAVGBYIIXOG-UHFFFAOYSA-N	-1	1	459.590	4.958	1	0		JJAFMM
COc1ccc([C@]2(O)COc3c(CC=C(C)C)c([O-])cc(O)c3C2=O)c(OC)c1CC=C(C)C	ZINC000043021473	563165028	/nfs/dbraw/zinc/16/50/28/563165028.db2.gz	OSGRVFMXDBIYIM-HHHXNRCGSA-N	-1	1	468.546	4.595	1	0		JJAFMM
O=C([O-])C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc2c(c1)OCO2	ZINC000003962009	562931040	/nfs/dbraw/zinc/93/10/40/562931040.db2.gz	BCZJAKMDVNIASQ-SFHVURJKSA-N	-1	1	465.575	4.601	1	0		JJAFMM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[N@@H+](C)CCO[P@](=O)([O-])OP(=O)([O-])O	ZINC000013473658	562966375	/nfs/dbraw/zinc/96/63/75/562966375.db2.gz	OEMBPHBKZPOPBN-NWLVNBMCSA-N	-1	1	453.453	4.954	1	0	in-vivo	JJAFMM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[NH+](C)CCO[P@](=O)([O-])O[P@@](=O)([O-])O	ZINC000013473658	562966376	/nfs/dbraw/zinc/96/63/76/562966376.db2.gz	OEMBPHBKZPOPBN-NWLVNBMCSA-N	-1	1	453.453	4.954	1	0	in-vivo	JJAFMM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[NH+](C)CCO[P@](=O)([O-])O[P@](=O)([O-])O	ZINC000013473658	562966377	/nfs/dbraw/zinc/96/63/77/562966377.db2.gz	OEMBPHBKZPOPBN-NWLVNBMCSA-N	-1	1	453.453	4.954	1	0	in-vivo	JJAFMM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[N@H+](C)CCO[P@](=O)([O-])OP(=O)([O-])O	ZINC000013473658	562966374	/nfs/dbraw/zinc/96/63/74/562966374.db2.gz	OEMBPHBKZPOPBN-NWLVNBMCSA-N	-1	1	453.453	4.954	1	0	in-vivo	JJAFMM
Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2ncc(N3CCN(C)CC3)cc2c1	ZINC000013645859	562980709	/nfs/dbraw/zinc/98/07/09/562980709.db2.gz	GVCPIKGUADPSJE-UHFFFAOYSA-N	-1	1	487.050	4.964	1	0		JJAFMM
CC(C)[C@H](c1cccc(NS(=O)(=O)c2cccnc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2	ZINC000013761724	562990162	/nfs/dbraw/zinc/99/01/62/562990162.db2.gz	LBHDTSVRSHXIQX-HSZRJFAPSA-N	-1	1	482.602	4.988	1	0		JJAFMM
CCC(=O)O[C@H](CC)c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1	ZINC000013883220	563004237	/nfs/dbraw/zinc/00/42/37/563004237.db2.gz	BSKWKFRABGXDBW-GFCCVEGCSA-N	-1	1	453.442	4.660	1	0		JJAFMM
CC(C)[NH+]1CCC(CNc2ccccc2S(=O)(=O)[N-]c2ccc3c(c2C(=O)[O-])CCCC3)CC1	ZINC000014964620	563008793	/nfs/dbraw/zinc/00/87/93/563008793.db2.gz	QJADDKYVLQKIJJ-UHFFFAOYSA-N	-1	1	485.650	4.597	1	0		JJAFMM
CC[NH+](CC)CCC[C@@H](C)Nc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964607	563008803	/nfs/dbraw/zinc/00/88/03/563008803.db2.gz	AFNZSEVDWZQGKS-LJQANCHMSA-N	-1	1	487.666	4.987	1	0		JJAFMM
CN(Cc1nn[n-]n1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	ZINC000027638139	563047925	/nfs/dbraw/zinc/04/79/25/563047925.db2.gz	HKEDNGJQBGWNSF-QGZVFWFLSA-N	-1	1	459.394	4.627	1	0		JJAFMM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2	ZINC000028639832	563072123	/nfs/dbraw/zinc/07/21/23/563072123.db2.gz	FGIYCQIAITURAD-GFCCVEGCSA-N	-1	1	458.898	4.671	1	0		JJAFMM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c2c(=O)cc(-c3ccccc3Cl)oc12	ZINC000028639832	563072125	/nfs/dbraw/zinc/07/21/25/563072125.db2.gz	FGIYCQIAITURAD-GFCCVEGCSA-N	-1	1	458.898	4.671	1	0		JJAFMM
O=C1[N-]C(=S)SC1=Cc1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)CO2	ZINC000028883239	563084834	/nfs/dbraw/zinc/08/48/34/563084834.db2.gz	XSPWCGUXWMKJFR-PXNMLYILSA-N	-1	1	450.463	4.960	1	0		JJAFMM
COc1cc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)C/C=C/C(C)(C)O)c([O-])cc3O2)ccc1O	ZINC000040392977	563138185	/nfs/dbraw/zinc/13/81/85/563138185.db2.gz	SHWLJHMWQFNVAC-DETBAYCCSA-N	-1	1	454.519	4.725	1	0		JJAFMM
COc1cc([C@H]2Oc3cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)ccc1O	ZINC000040862662	563150414	/nfs/dbraw/zinc/15/04/14/563150414.db2.gz	YHOYRZLJSAAOGW-WFQOKMFZSA-N	-1	1	454.519	4.725	1	0		JJAFMM
C/C(=C\CC[C@@](C)(O)CCCC1=CCN(CC(=O)[O-])C1=O)CCC[C@H](C)C=C1OC(=O)C(C)=C1O	ZINC000049073163	563201494	/nfs/dbraw/zinc/20/14/94/563201494.db2.gz	WYYBBHDVIXUYQA-BNMUHQBYSA-N	-1	1	489.609	4.567	1	0		JJAFMM
C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)O[C@@H]1O)COS(=O)(=O)[O-]	ZINC000058594471	563208358	/nfs/dbraw/zinc/20/83/58/563208358.db2.gz	UTGHYWBAVNHHJG-HPEYYLKWSA-N	-1	1	484.655	4.973	1	0		JJAFMM
COc1cc(OC)cc([C@H](CC(=O)[O-])Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)c1	ZINC000003962012	562931083	/nfs/dbraw/zinc/93/10/83/562931083.db2.gz	UBSZHEXPLSECRR-SFHVURJKSA-N	-1	1	481.618	4.890	1	0		JJAFMM
O=C([O-])c1ccc2c(c1)[C@@H](SCCN1CCN(c3ccccc3)CC1)c1ccccc1CO2	ZINC000011688754	562957529	/nfs/dbraw/zinc/95/75/29/562957529.db2.gz	STPDAHXJTOUKPU-SANMLTNESA-N	-1	1	460.599	4.922	1	0		JJAFMM
CC(C)(C)OC(=O)N(CCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccncc1	ZINC000013494035	562970442	/nfs/dbraw/zinc/97/04/42/562970442.db2.gz	VWFMDHVHOZARLY-UHFFFAOYSA-N	-1	1	469.563	4.703	1	0		JJAFMM
CC(C)[C@@H](c1cccc(NS(=O)(=O)c2cccnc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2	ZINC000013761723	562990131	/nfs/dbraw/zinc/99/01/31/562990131.db2.gz	LBHDTSVRSHXIQX-QHCPKHFHSA-N	-1	1	482.602	4.988	1	0		JJAFMM
CC(C)C[C@@H](c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2	ZINC000013761719	562990184	/nfs/dbraw/zinc/99/01/84/562990184.db2.gz	HABWGFQXGJRKQW-NRFANRHFSA-N	-1	1	499.633	4.717	1	0		JJAFMM
CCC(=O)O[C@@H](CC)c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1	ZINC000013883221	563004184	/nfs/dbraw/zinc/00/41/84/563004184.db2.gz	BSKWKFRABGXDBW-LBPRGKRZSA-N	-1	1	453.442	4.660	1	0		JJAFMM
O=C([O-])C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc2c(c1)OCO2	ZINC000013976924	563005032	/nfs/dbraw/zinc/00/50/32/563005032.db2.gz	BCZJAKMDVNIASQ-GOSISDBHSA-N	-1	1	465.575	4.601	1	0		JJAFMM
CC(C)c1cccc(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4ccc(C(N)=[NH2+])cc4[nH]3)c2O)c1	ZINC000014956905	563007866	/nfs/dbraw/zinc/00/78/66/563007866.db2.gz	MHTDJBUJRHPIOY-LJQANCHMSA-N	-1	1	486.528	4.653	1	0		JJAFMM
O=C([O-])c1ccc2c(c1)[C@@H](SCCN1CCN(Cc3ccccc3)CC1)c1ccccc1CO2	ZINC000022941735	563019861	/nfs/dbraw/zinc/01/98/61/563019861.db2.gz	AAGQTOSVLSYVDV-MHZLTWQESA-N	-1	1	474.626	4.918	1	0		JJAFMM
CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)c(C(=O)[O-])c2)c2c(n1)CCCC2	ZINC000026578081	563030968	/nfs/dbraw/zinc/03/09/68/563030968.db2.gz	FCWOLXDDSTWLPN-UHFFFAOYSA-N	-1	1	455.518	4.647	1	0		JJAFMM
Cn1nc(C(F)(F)F)c(C=C2SC(=S)[N-]C2=O)c1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000028822815	563081318	/nfs/dbraw/zinc/08/13/18/563081318.db2.gz	CTKYTTCRNDPNMK-UVTDQMKNSA-N	-1	1	487.960	4.748	1	0		JJAFMM
O=C1C[C@H](c2nn[n-]n2)Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc21	ZINC000029462264	563103826	/nfs/dbraw/zinc/10/38/26/563103826.db2.gz	IAGCJPRHIHQXHK-AREMUKBSSA-N	-1	1	479.496	4.612	1	0		JJAFMM
O=C1C[C@@H](c2nn[n-]n2)Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc21	ZINC000029462260	563103866	/nfs/dbraw/zinc/10/38/66/563103866.db2.gz	IAGCJPRHIHQXHK-SANMLTNESA-N	-1	1	479.496	4.612	1	0		JJAFMM
CCCC(=O)c1c([O-])c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c(OC)c(C)c1O	ZINC000032257408	563109706	/nfs/dbraw/zinc/10/97/06/563109706.db2.gz	KSPJWSCWSGSJRH-UHFFFAOYSA-N	-1	1	460.523	4.699	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@H](COCCO)c1ccccc1	ZINC000040568373	563146273	/nfs/dbraw/zinc/14/62/73/563146273.db2.gz	JALYOEQAGVCURF-GOSISDBHSA-N	-1	1	451.407	4.575	1	0		JJAFMM
CCN(CC)c1ccc2cc(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c(=O)oc2c1	ZINC000049781311	563203594	/nfs/dbraw/zinc/20/35/94/563203594.db2.gz	MRSUHDZWHDRHDD-UHFFFAOYSA-N	-1	1	476.554	4.671	1	0		JJAFMM
CCCCC1=NC(Cl)=C(C(=O)[O-])[C@H](C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013731114	562985226	/nfs/dbraw/zinc/98/52/26/562985226.db2.gz	FFGOUCLZEVSODP-HNNXBMFYSA-N	-1	1	464.957	4.862	1	0		JJAFMM
CCCCc1nc(C)n2c(=S)[n-]nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013737971	562986309	/nfs/dbraw/zinc/98/63/09/562986309.db2.gz	AEPGYTQBSCNETR-UHFFFAOYSA-N	-1	1	456.579	4.502	1	0		JJAFMM
CCCCc1ncc(C=C2C(=O)NC(=O)N2Cc2ccccc2)n1Cc1ccc(C(=O)[O-])cc1	ZINC000013743406	562987768	/nfs/dbraw/zinc/98/77/68/562987768.db2.gz	JVGDBLGTHRLTPK-HMAPJEAMSA-N	-1	1	458.518	4.905	1	0		JJAFMM
COc1cc(OC)cc([C@@H](CC(=O)[O-])Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)c1	ZINC000013976926	563005048	/nfs/dbraw/zinc/00/50/48/563005048.db2.gz	UBSZHEXPLSECRR-GOSISDBHSA-N	-1	1	481.618	4.890	1	0		JJAFMM
CC[NH+](CC)C[C@@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964948	563009057	/nfs/dbraw/zinc/00/90/57/563009057.db2.gz	TUAIGDMLWFUGBM-PXNSSMCTSA-N	-1	1	474.598	4.649	1	0		JJAFMM
O=c1[n-]c(SCCCCCCCS(=O)(=O)c2ccc(Cl)cc2)ncc1Cc1cccnc1	ZINC000027313124	563042548	/nfs/dbraw/zinc/04/25/48/563042548.db2.gz	LQTXPSPTUUKWBO-UHFFFAOYSA-N	-1	1	492.066	4.926	1	0		JJAFMM
CC(C)(C)C1CCC2(CN(C3CCCCC3)C(=O)N2Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)CC1	ZINC000028524926	563067361	/nfs/dbraw/zinc/06/73/61/563067361.db2.gz	WPCBNIPPADNULW-UHFFFAOYSA-N	-1	1	493.656	4.997	1	0		JJAFMM
CC(C)(C)C1CCC2(CN(C3CCCCC3)C(=O)N2Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)CC1	ZINC000028524926	563067363	/nfs/dbraw/zinc/06/73/63/563067363.db2.gz	WPCBNIPPADNULW-UHFFFAOYSA-N	-1	1	493.656	4.997	1	0		JJAFMM
CC[C@@H](C)c1ncc(CCC(=O)OC)n1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000028568114	563069965	/nfs/dbraw/zinc/06/99/65/563069965.db2.gz	APJPJJBRRATHFI-GFCCVEGCSA-N	-1	1	452.395	4.804	1	0		JJAFMM
CC(C)CC(=O)c1c([O-])c2c(c(C(=O)CC(C)C)c1O)O[C@]1(CO)[C@@H]3C[C@H](C[C@@H]1C2)C3(C)C	ZINC000029123687	563094371	/nfs/dbraw/zinc/09/43/71/563094371.db2.gz	TWBVZJUGRUXEGY-DBSBGELUSA-N	-1	1	458.595	4.904	1	0		JJAFMM
CCC(=O)O[C@@H](c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1)C(C)C	ZINC000029247594	563099478	/nfs/dbraw/zinc/09/94/78/563099478.db2.gz	JVOAZZIITXPBKA-GOSISDBHSA-N	-1	1	467.469	4.906	1	0		JJAFMM
COc1ccc(S(=O)(=O)[N-]c2ccc(N)c(-c3c(O)ccc4ccccc43)c2)c(OC)c1	ZINC000040916106	563155635	/nfs/dbraw/zinc/15/56/35/563155635.db2.gz	MBGLNHDNXWCGHN-UHFFFAOYSA-N	-1	1	450.516	4.613	1	0		JJAFMM
CCN(CC)c1ccc2cc(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)oc2c1	ZINC000049780448	563203603	/nfs/dbraw/zinc/20/36/03/563203603.db2.gz	ZLBMGNXZUCMRGL-UHFFFAOYSA-N	-1	1	490.581	4.979	1	0		JJAFMM
CC(C)c1cccc(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4ccc(C(N)=[NH2+])cc4[nH]3)c2O)c1	ZINC000014956909	563007789	/nfs/dbraw/zinc/00/77/89/563007789.db2.gz	MHTDJBUJRHPIOY-IBGZPJMESA-N	-1	1	486.528	4.653	1	0		JJAFMM
O=C([O-])C[C@@H](c1cnc[nH]1)N(CC1CCCCC1)S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000028341024	563060461	/nfs/dbraw/zinc/06/04/61/563060461.db2.gz	LXLFVCQNCZMHTO-ZDUSSCGKSA-N	-1	1	466.412	4.565	1	0		JJAFMM
CC(C)CN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1cccs1	ZINC000028569577	563070485	/nfs/dbraw/zinc/07/04/85/563070485.db2.gz	WCUSZTFTCOTZHT-UHFFFAOYSA-N	-1	1	461.449	4.912	1	0		JJAFMM
O=C(Nc1nccs1)c1c(=O)c2cccc(C(F)(F)F)c2[n-]c1[C@H](O)C1CCCCC1	ZINC000029237267	563099229	/nfs/dbraw/zinc/09/92/29/563099229.db2.gz	PNGAGCFDUYRNPM-QGZVFWFLSA-N	-1	1	451.470	4.869	1	0		JJAFMM
CCC(=O)N[C@@H](CC)c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1	ZINC000029235885	563099242	/nfs/dbraw/zinc/09/92/42/563099242.db2.gz	FLKLCVZAZBAKOJ-LBPRGKRZSA-N	-1	1	452.458	4.645	1	0		JJAFMM
O=C1C[C@@H](c2nn[n-]n2)Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21	ZINC000029406004	563102933	/nfs/dbraw/zinc/10/29/33/563102933.db2.gz	JGJWEDAVARVCGK-MHZLTWQESA-N	-1	1	477.524	4.819	1	0		JJAFMM
O=C1C[C@H](c2nn[n-]n2)Oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21	ZINC000029411127	563103180	/nfs/dbraw/zinc/10/31/80/563103180.db2.gz	LGLNPUXSMUAKSS-AREMUKBSSA-N	-1	1	479.496	4.612	1	0		JJAFMM
O=c1oc2c(c([O-])c1[C@H](c1cccc(CS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2	ZINC000100044682	581101452	/nfs/dbraw/zinc/10/14/52/581101452.db2.gz	FKTMHPFYSWFORA-DEOSSOPVSA-N	-1	1	479.598	4.915	1	0		JJAFMM
CC(C)C[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1cccc2ccccc21)C(=O)[O-]	ZINC000004806251	562933751	/nfs/dbraw/zinc/93/37/51/562933751.db2.gz	LQNDTMZXYCNVNE-SANMLTNESA-N	-1	1	470.573	4.749	1	0		JJAFMM
Cc1c(CC(N)=O)c2cc(OCCC[P@](=O)([O-])O)ccc2n1Cc1ccccc1-c1ccccc1	ZINC000013445978	562964097	/nfs/dbraw/zinc/96/40/97/562964097.db2.gz	XEEIYLYEMYOPQK-UHFFFAOYSA-N	-1	1	492.512	4.639	1	0		JJAFMM
CC[NH+](CC)CCCNc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964574	563008819	/nfs/dbraw/zinc/00/88/19/563008819.db2.gz	YABHKFYISAIEEH-UHFFFAOYSA-N	-1	1	494.057	4.862	1	0		JJAFMM
O=C(Nc1cccc2c1O[C@H](c1nn[n-]n1)CO2)c1ccc(OCCCCCc2ccccc2)cc1	ZINC000028006134	563054523	/nfs/dbraw/zinc/05/45/23/563054523.db2.gz	XLJUOMJRMGBMGV-DEOSSOPVSA-N	-1	1	485.544	4.756	1	0		JJAFMM
O=S(=O)(c1ccccc1)N1CCCCc2cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc21	ZINC000028571195	563070953	/nfs/dbraw/zinc/07/09/53/563070953.db2.gz	DDNVITBNHCJLMB-UHFFFAOYSA-N	-1	1	453.404	4.530	1	0		JJAFMM
CS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(-c5nnn[n-]5)cnn4c3C3CCCCC3)cc2)c1	ZINC000034820128	563116578	/nfs/dbraw/zinc/11/65/78/563116578.db2.gz	UDHWRZWZJJDEJM-UHFFFAOYSA-N	-1	1	499.600	4.695	1	0		JJAFMM
CS(=O)(=O)c1cccc(-c2ccc(-c3cnc4c(-c5nn[n-]n5)cnn4c3C3CCCCC3)cc2)c1	ZINC000034820128	563116579	/nfs/dbraw/zinc/11/65/79/563116579.db2.gz	UDHWRZWZJJDEJM-UHFFFAOYSA-N	-1	1	499.600	4.695	1	0		JJAFMM
CCN(CC)C(=O)c1ccc(Oc2cccc(CC(=O)[O-])c2)c(NS(=O)(=O)c2ccc(C)cc2)c1	ZINC000045257361	563182883	/nfs/dbraw/zinc/18/28/83/563182883.db2.gz	FQHTWDMPLSLFNW-UHFFFAOYSA-N	-1	1	496.585	4.697	1	0		JJAFMM
Cc1c2c([O-])cc(O)cc2oc(=O)c1N1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1	ZINC000045386448	563194496	/nfs/dbraw/zinc/19/44/96/563194496.db2.gz	LMBVYTOLFGLOFG-UHFFFAOYSA-N	-1	1	487.512	4.659	1	0		JJAFMM
C/C(=C\CC[C@](C)(O)CCCC1=CCN(CC(=O)[O-])C1=O)CCC[C@H](C)C=C1OC(=O)C(C)=C1O	ZINC000049073161	563201525	/nfs/dbraw/zinc/20/15/25/563201525.db2.gz	WYYBBHDVIXUYQA-OSZPRZPPSA-N	-1	1	489.609	4.567	1	0		JJAFMM
C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3cc2O[C@@]1(C)CCCc1ccccc1	ZINC000085595311	560063984	/nfs/dbraw/zinc/06/39/84/560063984.db2.gz	OFLUMOXTGRVNGQ-IFNPFQLYSA-N	-1	1	478.541	4.585	1	0	biogenic,in-vitro	JJAFMM
C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3cc2O[C@@]1(C)CCCc1ccccc1	ZINC000085595311	560063986	/nfs/dbraw/zinc/06/39/86/560063986.db2.gz	OFLUMOXTGRVNGQ-IFNPFQLYSA-N	-1	1	478.541	4.585	1	0	biogenic,in-vitro	JJAFMM
CC[NH+](CC)CCC[C@H](C)Nc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964612	563008817	/nfs/dbraw/zinc/00/88/17/563008817.db2.gz	AFNZSEVDWZQGKS-IBGZPJMESA-N	-1	1	487.666	4.987	1	0		JJAFMM
C[C@@H](/C=C\c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2)[NH+]1CCCC1	ZINC000014964849	563008949	/nfs/dbraw/zinc/00/89/49/563008949.db2.gz	YGCWKCNJSBGPQP-SQVRQVGWSA-N	-1	1	454.592	4.562	1	0		JJAFMM
COc1ccc([C@H]2Oc3cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c3C(=O)[C@@H]2O)cc1O	ZINC000015122018	563011186	/nfs/dbraw/zinc/01/11/86/563011186.db2.gz	HXSRAKGAZOSYEH-WFQOKMFZSA-N	-1	1	454.519	4.725	1	0		JJAFMM
O=C1[N-]C(=O)[C@H](Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(Cl)cc3)cc2)S1	ZINC000026823274	563035866	/nfs/dbraw/zinc/03/58/66/563035866.db2.gz	HGANQTZHGBMPLO-FQEVSTJZSA-N	-1	1	478.961	4.606	1	0		JJAFMM
O=C1[N-]C(=O)C(=Cc2ccc(OC[C@@H](O)COc3ccc(Cl)c(Cl)c3Cl)cc2)S1	ZINC000027207777	563041811	/nfs/dbraw/zinc/04/18/11/563041811.db2.gz	SOXUWSIXELVMFI-LYGDGENHSA-N	-1	1	474.749	4.789	1	0		JJAFMM
O=C(Nc1cccc2c1O[C@@H](c1nn[n-]n1)CO2)c1ccc(OCCCCCc2ccccc2)cc1	ZINC000028006138	563054515	/nfs/dbraw/zinc/05/45/15/563054515.db2.gz	XLJUOMJRMGBMGV-XMMPIXPASA-N	-1	1	485.544	4.756	1	0		JJAFMM
C/C(=C\CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CC/C=C(\C)CCC[NH+](C)C	ZINC000013473672	562966385	/nfs/dbraw/zinc/96/63/85/562966385.db2.gz	MQTYWKZQFYMNDN-WNWLUAIZSA-N	-1	1	453.453	4.954	1	0		JJAFMM
C/C(=C\CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O)CC/C=C(\C)CCC[NH+](C)C	ZINC000013473672	562966386	/nfs/dbraw/zinc/96/63/86/562966386.db2.gz	MQTYWKZQFYMNDN-WNWLUAIZSA-N	-1	1	453.453	4.954	1	0		JJAFMM
O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(=O)c3ccc(F)cc3)c2)c(Cl)c1	ZINC000013602432	562978498	/nfs/dbraw/zinc/97/84/98/562978498.db2.gz	XVVTZORFWQJUJQ-UHFFFAOYSA-N	-1	1	464.232	4.885	1	0		JJAFMM
CCCCC1=NC(Cl)=C(C(=O)[O-])[C@@H](C)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013731111	562985217	/nfs/dbraw/zinc/98/52/17/562985217.db2.gz	FFGOUCLZEVSODP-OAHLLOKOSA-N	-1	1	464.957	4.862	1	0		JJAFMM
Nc1nc(Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F	ZINC000014945641	563006651	/nfs/dbraw/zinc/00/66/51/563006651.db2.gz	ZVPVPYCGZWPGFO-UHFFFAOYSA-N	-1	1	480.496	4.717	1	0		JJAFMM
C[C@H](/C=C\c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2)[NH+]1CCCC1	ZINC000014964853	563008906	/nfs/dbraw/zinc/00/89/06/563008906.db2.gz	YGCWKCNJSBGPQP-MENFKHAKSA-N	-1	1	454.592	4.562	1	0		JJAFMM
O=C([O-])C[C@H](c1cnc[nH]1)N(CC1CCCCC1)S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000028341019	563060436	/nfs/dbraw/zinc/06/04/36/563060436.db2.gz	LXLFVCQNCZMHTO-CYBMUJFWSA-N	-1	1	466.412	4.565	1	0		JJAFMM
CC(C)(C)C1CCC2(CN(c3ccccc3)C(=O)N2Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)CC1	ZINC000028525767	563067738	/nfs/dbraw/zinc/06/77/38/563067738.db2.gz	QJKHFICOHPNIPY-UHFFFAOYSA-N	-1	1	487.608	4.869	1	0		JJAFMM
CC(C)(C)C1CCC2(CN(c3ccccc3)C(=O)N2Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)CC1	ZINC000028525767	563067739	/nfs/dbraw/zinc/06/77/39/563067739.db2.gz	QJKHFICOHPNIPY-UHFFFAOYSA-N	-1	1	487.608	4.869	1	0		JJAFMM
CCc1c(Cc2ccc(Br)cc2)nc(SCC(=O)c2ccc(OC)cc2)[n-]c1=O	ZINC000029058141	563093771	/nfs/dbraw/zinc/09/37/71/563093771.db2.gz	LRUAXTQERCCPQP-UHFFFAOYSA-N	-1	1	473.392	4.669	1	0		JJAFMM
CCC(=O)O[C@H](c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1ccccn1)C(C)C	ZINC000029241720	563099359	/nfs/dbraw/zinc/09/93/59/563099359.db2.gz	XFXRECYNQQWGHJ-NRFANRHFSA-N	-1	1	461.440	4.845	1	0		JJAFMM
O=C(Nc1nn[n-]n1)c1cnn2c1ncc(-c1ccc(OCc3ccccc3)cc1)c2C1CCCCC1	ZINC000034820053	563116570	/nfs/dbraw/zinc/11/65/70/563116570.db2.gz	DWYAPXKFZFRAPJ-UHFFFAOYSA-N	-1	1	494.559	4.788	1	0		JJAFMM
O=C([O-])CNCc1ccc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)o1	ZINC000040918166	563156151	/nfs/dbraw/zinc/15/61/51/563156151.db2.gz	RWQQYKXBUWKJFM-UHFFFAOYSA-N	-1	1	481.512	4.782	1	0		JJAFMM
Cc1nccc(-c2cccc(S(=O)(=O)[N-]c3cc4c(Cl)n[nH]c4c(NCC(C)C)c3)c2)n1	ZINC000013531388	562972257	/nfs/dbraw/zinc/97/22/57/562972257.db2.gz	QZZSXZNREWWFSP-UHFFFAOYSA-N	-1	1	470.986	4.850	1	0		JJAFMM
CC(C)C[C@H](c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2c(oc1=O)CCCCCC2	ZINC000013761720	562990196	/nfs/dbraw/zinc/99/01/96/562990196.db2.gz	HABWGFQXGJRKQW-OAQYLSRUSA-N	-1	1	499.633	4.717	1	0		JJAFMM
O=C([O-])C[C@H](NC(=O)CCCCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1	ZINC000013817641	562996851	/nfs/dbraw/zinc/99/68/51/562996851.db2.gz	UBCYLCJDLQOXGZ-DEOSSOPVSA-N	-1	1	460.578	4.813	1	0		JJAFMM
CC(C)[NH+](CCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2)C(C)C	ZINC000014964427	563008619	/nfs/dbraw/zinc/00/86/19/563008619.db2.gz	YKWWSOSEACKOKF-UHFFFAOYSA-N	-1	1	473.639	4.595	1	0		JJAFMM
CC[NH+](CC)CCCNc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964591	563008821	/nfs/dbraw/zinc/00/88/21/563008821.db2.gz	SIUVUWJGPMLSNL-UHFFFAOYSA-N	-1	1	494.057	4.862	1	0		JJAFMM
CC[NH+](CC)CC/C=C\c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964842	563008970	/nfs/dbraw/zinc/00/89/70/563008970.db2.gz	DLHNFFSTMNJAOX-LCYFTJDESA-N	-1	1	456.608	4.810	1	0		JJAFMM
CC[NH+](CC)C[C@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964960	563009115	/nfs/dbraw/zinc/00/91/15/563009115.db2.gz	TUAIGDMLWFUGBM-YLJYHZDGSA-N	-1	1	474.598	4.649	1	0		JJAFMM
O=C1C[C@@H](c2nn[n-]n2)Oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21	ZINC000029411123	563103174	/nfs/dbraw/zinc/10/31/74/563103174.db2.gz	LGLNPUXSMUAKSS-SANMLTNESA-N	-1	1	479.496	4.612	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@@H](COCC(=O)OC)c1ccccc1	ZINC000038149603	563131949	/nfs/dbraw/zinc/13/19/49/563131949.db2.gz	KPCMZDDOZHFXBR-SFHVURJKSA-N	-1	1	479.417	4.756	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@H](COCC(=O)N(C)C)c1ccccc1	ZINC000038149602	563131985	/nfs/dbraw/zinc/13/19/85/563131985.db2.gz	HSXPHPZTVBAFKE-LJQANCHMSA-N	-1	1	492.460	4.671	1	0		JJAFMM
Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(F)c(F)c2)nc1Cc1c(Cl)cccc1Cl	ZINC000045352343	563192048	/nfs/dbraw/zinc/19/20/48/563192048.db2.gz	FGWDGXOUDRXXCO-UHFFFAOYSA-N	-1	1	470.328	4.985	1	0		JJAFMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1	ZINC000049052321	563200124	/nfs/dbraw/zinc/20/01/24/563200124.db2.gz	ZQZFLTKUUCYGRL-UHFFFAOYSA-N	-1	1	498.354	4.896	1	0		JJAFMM
C/C(=C\CC[C@@](C)(O)CCCC1=CC(=O)N(CC(=O)[O-])C1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O	ZINC000049068987	563201024	/nfs/dbraw/zinc/20/10/24/563201024.db2.gz	YIDCSRZOFJQWFI-KVHXZWPJSA-N	-1	1	489.609	4.567	1	0		JJAFMM
C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)[O-]	ZINC000059204431	563208925	/nfs/dbraw/zinc/20/89/25/563208925.db2.gz	UTGHYWBAVNHHJG-DKBPJWHKSA-N	-1	1	484.655	4.973	1	0		JJAFMM
Cc1[nH]nc2c1cc([N-]S(=O)(=O)c1cccc(-c3ccnc(C)n3)c1)cc2NCC(C)C	ZINC000013531391	562972253	/nfs/dbraw/zinc/97/22/53/562972253.db2.gz	RKESDZNECJDTKA-UHFFFAOYSA-N	-1	1	450.568	4.505	1	0		JJAFMM
CC[NH+](CC)[C@@H](C)/C=C\c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964874	563008854	/nfs/dbraw/zinc/00/88/54/563008854.db2.gz	SVEYIEQULKKJJJ-MQNTZWLQSA-N	-1	1	474.598	4.947	1	0		JJAFMM
C[C@H](/C=C\c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2)[NH+]1CCCC1	ZINC000014964861	563008922	/nfs/dbraw/zinc/00/89/22/563008922.db2.gz	ZEYSIAGZLAHZDH-XZVRFQMRSA-N	-1	1	472.582	4.701	1	0		JJAFMM
CC[NH+](CC)[C@@H](C)/C=C\c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964866	563008954	/nfs/dbraw/zinc/00/89/54/563008954.db2.gz	VTQLLWQJNSFYDS-OUFNUQFJSA-N	-1	1	456.608	4.808	1	0		JJAFMM
COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br	ZINC000028563453	563068977	/nfs/dbraw/zinc/06/89/77/563068977.db2.gz	BJESSVVDHVPIML-UHFFFAOYSA-N	-1	1	458.337	4.802	1	0		JJAFMM
CC[C@@H](C)c1ncc(/C=C/C(=O)OC)n1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000028568112	563069939	/nfs/dbraw/zinc/06/99/39/563069939.db2.gz	TVPIGTRFTZDWSD-BZYZDCJZSA-N	-1	1	450.379	4.884	1	0		JJAFMM
CC(=O)O[C@@H](c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1)C(C)C	ZINC000029247743	563099523	/nfs/dbraw/zinc/09/95/23/563099523.db2.gz	HVKGSDLRAUTNEI-QGZVFWFLSA-N	-1	1	453.442	4.928	1	0		JJAFMM
O=C1C[C@@H](c2nn[n-]n2)Oc2c(COc3ccc(OCc4ccc5ccccc5n4)cc3)cccc21	ZINC000029462381	563103848	/nfs/dbraw/zinc/10/38/48/563103848.db2.gz	VYUVQHQQLJVMFW-VWLOTQADSA-N	-1	1	479.496	4.612	1	0		JJAFMM
CN(C(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3)ccc21)C(C)(C)Cc1ccccc1	ZINC000029549961	563106307	/nfs/dbraw/zinc/10/63/07/563106307.db2.gz	UNCIHPXMLZLDHP-UHFFFAOYSA-N	-1	1	463.603	4.923	1	0		JJAFMM
C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000040776261	563148512	/nfs/dbraw/zinc/14/85/12/563148512.db2.gz	NCMICRLHSYYCPS-ZXDZJFMASA-N	-1	1	452.393	4.519	1	0		JJAFMM
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(F)(F)c3nn[n-]n3)c2)n1	ZINC000043129409	563167821	/nfs/dbraw/zinc/16/78/21/563167821.db2.gz	WJXFPYRZBRXTOU-UHFFFAOYSA-N	-1	1	492.317	4.767	1	0		JJAFMM
COc1ccc(NC(=O)CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[n-]2)cc1OC	ZINC000045353155	563192017	/nfs/dbraw/zinc/19/20/17/563192017.db2.gz	XRZWQIBIEQUFRO-UHFFFAOYSA-N	-1	1	494.400	4.724	1	0		JJAFMM
C/C(=C\CC[C@](C)(O)CCCC1=CC(=O)N(CC(=O)[O-])C1)CCC[C@H](C)C=C1OC(=O)C(C)=C1O	ZINC000049068985	563201041	/nfs/dbraw/zinc/20/10/41/563201041.db2.gz	YIDCSRZOFJQWFI-PEDZCDOHSA-N	-1	1	489.609	4.567	1	0		JJAFMM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cc2cc(Br)ccc2oc1=O	ZINC000049112299	563202424	/nfs/dbraw/zinc/20/24/24/563202424.db2.gz	TXOLPMXXJQGYIG-UHFFFAOYSA-N	-1	1	484.327	4.587	1	0		JJAFMM
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4nccs4)cc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1	ZINC000012428648	526394209	/nfs/dbraw/zinc/39/42/09/526394209.db2.gz	DORMNIVSDNEPEU-MUNADWAUSA-N	-1	1	481.599	4.939	2	0		JJAFMM
O=C([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4nccs4)cc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1	ZINC000012428647	526394441	/nfs/dbraw/zinc/39/44/41/526394441.db2.gz	DORMNIVSDNEPEU-BLOGRXRUSA-N	-1	1	481.599	4.939	2	0		JJAFMM
O=C([O-])c1ccc2c(c1)[C@H](SCCN1CCN(c3ccccc3)CC1)c1ccccc1CO2	ZINC000003795055	562928337	/nfs/dbraw/zinc/92/83/37/562928337.db2.gz	STPDAHXJTOUKPU-AREMUKBSSA-N	-1	1	460.599	4.922	1	0		JJAFMM
CC[NH+](CC)CCCNc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964578	563008763	/nfs/dbraw/zinc/00/87/63/563008763.db2.gz	RHHLCZCACJIZMD-UHFFFAOYSA-N	-1	1	494.057	4.862	1	0		JJAFMM
O=C(Nc1nccs1)c1c(=O)c2cccc(C(F)(F)F)c2[n-]c1[C@@H](O)C1CCCCC1	ZINC000029237259	563099245	/nfs/dbraw/zinc/09/92/45/563099245.db2.gz	PNGAGCFDUYRNPM-KRWDZBQOSA-N	-1	1	451.470	4.869	1	0		JJAFMM
O=C1C[C@H](c2nn[n-]n2)Oc2c(COc3ccc(OCc4ccc5ccccc5n4)cc3)cccc21	ZINC000029462385	563103830	/nfs/dbraw/zinc/10/38/30/563103830.db2.gz	VYUVQHQQLJVMFW-RUZDIDTESA-N	-1	1	479.496	4.612	1	0		JJAFMM
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(Br)c3[O-])c(Cc3ccccc3)c2c1	ZINC000029474579	563104812	/nfs/dbraw/zinc/10/48/12/563104812.db2.gz	ZSGVNBVMZBRWIM-UHFFFAOYSA-N	-1	1	478.346	4.805	1	0		JJAFMM
COc1ccc2c(c1-c1cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc1N)OCO2	ZINC000035000907	563118113	/nfs/dbraw/zinc/11/81/13/563118113.db2.gz	ANOZYKGBQODWDK-UHFFFAOYSA-N	-1	1	467.330	4.781	1	0		JJAFMM
COc1ccc(NC(=O)CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[n-]2)cc1	ZINC000045350773	563191781	/nfs/dbraw/zinc/19/17/81/563191781.db2.gz	DFMWSWAMKKJZSL-UHFFFAOYSA-N	-1	1	464.374	4.715	1	0		JJAFMM
COc1cccc(-c2cc(-c3cn(-c4cc5ccc([O-])c(C)c5oc4=O)nn3)ccc2OC)c1	ZINC000053299127	563205780	/nfs/dbraw/zinc/20/57/80/563205780.db2.gz	JQYQDBQURJAPDN-UHFFFAOYSA-N	-1	1	455.470	4.739	1	0		JJAFMM
C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)O[C@H]1O)COS(=O)(=O)[O-]	ZINC000059204432	563208916	/nfs/dbraw/zinc/20/89/16/563208916.db2.gz	UTGHYWBAVNHHJG-XXWPQLHMSA-N	-1	1	484.655	4.973	1	0		JJAFMM
O=c1cc(-c2nn[n-]n2)oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12	ZINC000003784423	562927946	/nfs/dbraw/zinc/92/79/46/562927946.db2.gz	VJOIDJREUDLKFV-UHFFFAOYSA-N	-1	1	477.480	4.679	1	0		JJAFMM
CC[NH+](CC)CCCSc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964731	563008785	/nfs/dbraw/zinc/00/87/85/563008785.db2.gz	YKHYJZDNBSYSKS-UHFFFAOYSA-N	-1	1	476.664	4.888	1	0		JJAFMM
CC[NH+](CC)C[C@H]1C[C@@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964952	563009134	/nfs/dbraw/zinc/00/91/34/563009134.db2.gz	TUAIGDMLWFUGBM-XLIONFOSSA-N	-1	1	474.598	4.649	1	0		JJAFMM
CCCc1nc2c(nc(C(=O)[O-])cc2C)n1Cc1cc(Br)c(O)c(Br)c1	ZINC000026185748	563024098	/nfs/dbraw/zinc/02/40/98/563024098.db2.gz	BGISYOOICYUPJS-UHFFFAOYSA-N	-1	1	483.160	4.669	1	0		JJAFMM
CC[C@H](C)c1ncc(CCC(=O)OC)n1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000028568115	563069983	/nfs/dbraw/zinc/06/99/83/563069983.db2.gz	APJPJJBRRATHFI-LBPRGKRZSA-N	-1	1	452.395	4.804	1	0		JJAFMM
CCC(=O)O[C@H](c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1)C(C)C	ZINC000029247589	563099457	/nfs/dbraw/zinc/09/94/57/563099457.db2.gz	JVOAZZIITXPBKA-SFHVURJKSA-N	-1	1	467.469	4.906	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@@](C)(C(=O)N(C)C)c1ccccc1	ZINC000038149618	563131970	/nfs/dbraw/zinc/13/19/70/563131970.db2.gz	OYDVTUOOJHLOCO-LJQANCHMSA-N	-1	1	462.434	4.829	1	0		JJAFMM
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4nccs4)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1	ZINC000012428650	526393983	/nfs/dbraw/zinc/39/39/83/526393983.db2.gz	DORMNIVSDNEPEU-JCCYKQGYSA-N	-1	1	481.599	4.939	2	0		JJAFMM
CCCCc1nc(Cl)c(COC)n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[n-]2)cc1	ZINC000013493350	562970309	/nfs/dbraw/zinc/97/03/09/562970309.db2.gz	BGSXMVQWABWIDQ-UHFFFAOYSA-N	-1	1	479.972	4.506	1	0		JJAFMM
CCCCc1nc(Cl)c(COC)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[n-]n2)cc1	ZINC000013493350	562970310	/nfs/dbraw/zinc/97/03/10/562970310.db2.gz	BGSXMVQWABWIDQ-UHFFFAOYSA-N	-1	1	479.972	4.506	1	0		JJAFMM
CC[NH+](CC)[C@H](C)/C=C\c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964870	563008876	/nfs/dbraw/zinc/00/88/76/563008876.db2.gz	VTQLLWQJNSFYDS-KGUUONHRSA-N	-1	1	456.608	4.808	1	0		JJAFMM
CC[NH+](CC)C[C@@H]1C[C@H]1c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964956	563009055	/nfs/dbraw/zinc/00/90/55/563009055.db2.gz	TUAIGDMLWFUGBM-FXAWDEMLSA-N	-1	1	474.598	4.649	1	0		JJAFMM
O=C1[N-]C(=S)SC1=Cc1ccc2c(c1)N(CCc1ccc(Br)cc1)C(=O)CO2	ZINC000028883381	563084843	/nfs/dbraw/zinc/08/48/43/563084843.db2.gz	WTAJFCWEMDZSLI-YVLHZVERSA-N	-1	1	475.389	4.746	1	0		JJAFMM
CC(=O)O[C@H](c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1)C(C)C	ZINC000029247750	563099502	/nfs/dbraw/zinc/09/95/02/563099502.db2.gz	HVKGSDLRAUTNEI-KRWDZBQOSA-N	-1	1	453.442	4.928	1	0		JJAFMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3cc4cc(Cl)ccc4oc3=O)cc2)cc1	ZINC000049048110	563199612	/nfs/dbraw/zinc/19/96/12/563199612.db2.gz	UQPDKJPLKWETQO-UHFFFAOYSA-N	-1	1	453.903	4.787	1	0		JJAFMM
CCCCc1ncc(C=C2C(=O)NC(=O)N2Cc2cccs2)n1Cc1ccc(C(=O)[O-])cc1	ZINC000013743409	562987723	/nfs/dbraw/zinc/98/77/23/562987723.db2.gz	REEAQOCYIOBPQU-UDWIEESQSA-N	-1	1	464.547	4.967	1	0		JJAFMM
C[C@@H](/C=C\c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2)[NH+]1CCCC1	ZINC000014964857	563008868	/nfs/dbraw/zinc/00/88/68/563008868.db2.gz	ZEYSIAGZLAHZDH-JJEJIETFSA-N	-1	1	472.582	4.701	1	0		JJAFMM
CC[NH+](CC)CC/C=C/c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964919	563008900	/nfs/dbraw/zinc/00/89/00/563008900.db2.gz	DLHNFFSTMNJAOX-UKTHLTGXSA-N	-1	1	456.608	4.810	1	0		JJAFMM
Cn1c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2c(-c2ccccc2)c1C(=O)[O-]	ZINC000028458310	563064293	/nfs/dbraw/zinc/06/42/93/563064293.db2.gz	DHIQADKPIHYRJD-UHFFFAOYSA-N	-1	1	457.511	4.893	1	0		JJAFMM
CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)C(=O)[N-]C(=O)NC1=O	ZINC000028975598	563090075	/nfs/dbraw/zinc/09/00/75/563090075.db2.gz	XXXIDXMAUYIGBL-UHFFFAOYSA-N	-1	1	460.486	4.896	1	0		JJAFMM
COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000029128924	563096488	/nfs/dbraw/zinc/09/64/88/563096488.db2.gz	WRTIGOKYFBYBNS-UHFFFAOYSA-N	-1	1	472.526	4.948	1	0		JJAFMM
O=c1[nH]c2nccc(Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2[nH]1	ZINC000034643679	563114416	/nfs/dbraw/zinc/11/44/16/563114416.db2.gz	VFYIAFXPHYDOSC-UHFFFAOYSA-N	-1	1	484.843	4.517	1	0		JJAFMM
CO[C@@H]1c2c(c(CC=C(C)C)c(=O)c3c([O-])c(-c4ccc(O)cc4)coc2-3)O[C@H]1C(C)(C)O	ZINC000043022665	563165147	/nfs/dbraw/zinc/16/51/47/563165147.db2.gz	DTTYOIOSVDOSOG-JWQCQUIFSA-N	-1	1	452.503	4.599	1	0		JJAFMM
O=C(CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[n-]1)Nc1ccc(F)c(F)c1	ZINC000045349772	563191646	/nfs/dbraw/zinc/19/16/46/563191646.db2.gz	UDQAJEXCUNWDGU-UHFFFAOYSA-N	-1	1	456.301	4.677	1	0		JJAFMM
O=c1oc2c(c([O-])c1[C@@H](c1cccc(CS(=O)(=O)c3ccccn3)c1)C1CC1)CCCCCC2	ZINC000100044685	581101488	/nfs/dbraw/zinc/10/14/88/581101488.db2.gz	FKTMHPFYSWFORA-XMMPIXPASA-N	-1	1	479.598	4.915	1	0		JJAFMM
C[C@@]1(C/C=C/c2ccccc2)Oc2cc3oc([C@H](O)Cc4ccccc4)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593564	560065141	/nfs/dbraw/zinc/06/51/41/560065141.db2.gz	WVGYQXMBSRSMKY-MLZFCRCYSA-N	-1	1	484.548	4.933	1	0	biogenic,in-vitro	JJAFMM
CC(C)[N@@H+]1CCC[C@@H]1CCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964652	563008746	/nfs/dbraw/zinc/00/87/46/563008746.db2.gz	CPCOASVFHXAUFI-HXUWFJFHSA-N	-1	1	485.650	4.739	1	0		JJAFMM
CC(C)[N@H+]1CCC[C@@H]1CCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964652	563008747	/nfs/dbraw/zinc/00/87/47/563008747.db2.gz	CPCOASVFHXAUFI-HXUWFJFHSA-N	-1	1	485.650	4.739	1	0		JJAFMM
O=C([O-])c1ccc2c(c1)[C@H](SCCN1CCN(Cc3ccccc3)CC1)c1ccccc1CO2	ZINC000022442791	563016943	/nfs/dbraw/zinc/01/69/43/563016943.db2.gz	AAGQTOSVLSYVDV-HHHXNRCGSA-N	-1	1	474.626	4.918	1	0		JJAFMM
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCO[P@](=O)([O-])Oc1ccccc1Cl	ZINC000026576466	563030617	/nfs/dbraw/zinc/03/06/17/563030617.db2.gz	ZZMDSQISGOUNOR-HXUWFJFHSA-N	-1	1	493.928	4.564	1	0		JJAFMM
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2	ZINC000028640442	563072175	/nfs/dbraw/zinc/07/21/75/563072175.db2.gz	FGIYCQIAITURAD-LBPRGKRZSA-N	-1	1	458.898	4.671	1	0		JJAFMM
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c2c(=O)cc(-c3ccccc3Cl)oc12	ZINC000028640442	563072176	/nfs/dbraw/zinc/07/21/76/563072176.db2.gz	FGIYCQIAITURAD-LBPRGKRZSA-N	-1	1	458.898	4.671	1	0		JJAFMM
CCC(=O)O[C@@H](c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1ccccn1)C(C)C	ZINC000029241728	563099429	/nfs/dbraw/zinc/09/94/29/563099429.db2.gz	XFXRECYNQQWGHJ-OAQYLSRUSA-N	-1	1	461.440	4.845	1	0		JJAFMM
O=C1C[C@H](c2nn[n-]n2)Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc21	ZINC000029406007	563102911	/nfs/dbraw/zinc/10/29/11/563102911.db2.gz	JGJWEDAVARVCGK-HHHXNRCGSA-N	-1	1	477.524	4.819	1	0		JJAFMM
COC(=O)c1ccc(Oc2ccc(C=C3SC(=O)[N-]C3=O)cc2OC)cc1C(F)(F)F	ZINC000034643016	563114335	/nfs/dbraw/zinc/11/43/35/563114335.db2.gz	CKVDHQAVOASGLY-PXNMLYILSA-N	-1	1	453.394	4.617	1	0		JJAFMM
c1nn2c(ncc(-c3ccc(OCc4ccccc4)cc3)c2C2CCSCC2)c1-c1nnn[n-]1	ZINC000034820021	563116601	/nfs/dbraw/zinc/11/66/01/563116601.db2.gz	SLULCEOJZDCANW-UHFFFAOYSA-N	-1	1	469.574	4.766	1	0		JJAFMM
c1nn2c(ncc(-c3ccc(OCc4ccccc4)cc3)c2C2CCSCC2)c1-c1nn[n-]n1	ZINC000034820021	563116602	/nfs/dbraw/zinc/11/66/02/563116602.db2.gz	SLULCEOJZDCANW-UHFFFAOYSA-N	-1	1	469.574	4.766	1	0		JJAFMM
CC[NH+](CC)C/C=C/c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000035089419	563119107	/nfs/dbraw/zinc/11/91/07/563119107.db2.gz	XMMAHWVNSWYROH-VQHVLOKHSA-N	-1	1	460.571	4.559	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@](C)(C(=O)N(C)C)c1ccccc1	ZINC000038149617	563131975	/nfs/dbraw/zinc/13/19/75/563131975.db2.gz	OYDVTUOOJHLOCO-IBGZPJMESA-N	-1	1	462.434	4.829	1	0		JJAFMM
COC(=O)c1cccc(CN(CCC([O-])(C(F)(F)F)C(F)(F)F)C(=O)CC2CCCC2)c1	ZINC000045231348	563181461	/nfs/dbraw/zinc/18/14/61/563181461.db2.gz	XAXLTOLCAWETJC-UHFFFAOYSA-N	-1	1	469.422	4.628	1	0		JJAFMM
CCC(=O)Nc1ccc(Oc2cccc(CC(=O)[O-])c2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000045254884	563182538	/nfs/dbraw/zinc/18/25/38/563182538.db2.gz	ZHZGGZWUGPFQNZ-UHFFFAOYSA-N	-1	1	488.949	4.909	1	0		JJAFMM
CCCCc1ncc(C=C2C(=O)NC(=O)N2Cc2ccccc2)n1Cc1ccc(C(=O)[O-])cc1	ZINC000013743407	562987719	/nfs/dbraw/zinc/98/77/19/562987719.db2.gz	JVGDBLGTHRLTPK-HYARGMPZSA-N	-1	1	458.518	4.905	1	0		JJAFMM
CC(C)[N@@H+]1CCC[C@H]1CCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964657	563008800	/nfs/dbraw/zinc/00/88/00/563008800.db2.gz	CPCOASVFHXAUFI-FQEVSTJZSA-N	-1	1	485.650	4.739	1	0		JJAFMM
CC(C)[N@H+]1CCC[C@H]1CCNc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964657	563008801	/nfs/dbraw/zinc/00/88/01/563008801.db2.gz	CPCOASVFHXAUFI-FQEVSTJZSA-N	-1	1	485.650	4.739	1	0		JJAFMM
CC[NH+](CC)CCCNc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964587	563008805	/nfs/dbraw/zinc/00/88/05/563008805.db2.gz	HXBHSMRZDMRWBV-UHFFFAOYSA-N	-1	1	473.639	4.517	1	0		JJAFMM
CC[NH+](CC)CCCNc1cc(C)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964595	563008815	/nfs/dbraw/zinc/00/88/15/563008815.db2.gz	SBCYYARRPMFCGH-UHFFFAOYSA-N	-1	1	473.639	4.517	1	0		JJAFMM
CC[NH+](CC)[C@H](C)/C=C\c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964878	563008929	/nfs/dbraw/zinc/00/89/29/563008929.db2.gz	SVEYIEQULKKJJJ-QXPKXGMISA-N	-1	1	474.598	4.947	1	0		JJAFMM
CC[NH+](CC)CCCCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964935	563009130	/nfs/dbraw/zinc/00/91/30/563009130.db2.gz	BQMBKJNWEINKHF-UHFFFAOYSA-N	-1	1	458.624	4.729	1	0		JJAFMM
CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nnn[n-]4)cc3OC)c2c1	ZINC000026487467	563028399	/nfs/dbraw/zinc/02/83/99/563028399.db2.gz	YDNSVRRNOWIEJT-QGZVFWFLSA-N	-1	1	489.580	4.619	1	0		JJAFMM
CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4nn[n-]n4)cc3OC)c2c1	ZINC000026487467	563028401	/nfs/dbraw/zinc/02/84/01/563028401.db2.gz	YDNSVRRNOWIEJT-QGZVFWFLSA-N	-1	1	489.580	4.619	1	0		JJAFMM
O=C1[N-]C(=O)[C@@H](Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(Cl)cc3)cc2)S1	ZINC000026823279	563035879	/nfs/dbraw/zinc/03/58/79/563035879.db2.gz	HGANQTZHGBMPLO-HXUWFJFHSA-N	-1	1	478.961	4.606	1	0		JJAFMM
O=C1[N-]C(=O)C(=Cc2ccc(OC[C@H](O)COc3ccc(Cl)c(Cl)c3Cl)cc2)S1	ZINC000027207773	563041773	/nfs/dbraw/zinc/04/17/73/563041773.db2.gz	SOXUWSIXELVMFI-URXIRXLPSA-N	-1	1	474.749	4.789	1	0		JJAFMM
CC[C@H](C)c1ncc(/C=C/C(=O)OC)n1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000028568113	563069978	/nfs/dbraw/zinc/06/99/78/563069978.db2.gz	TVPIGTRFTZDWSD-VMPCVLLUSA-N	-1	1	450.379	4.884	1	0		JJAFMM
CCc1c(Cc2ccccc2Br)nc(SCC(=O)c2ccc(OC)cc2)[n-]c1=O	ZINC000029058275	563093718	/nfs/dbraw/zinc/09/37/18/563093718.db2.gz	ASUQYVJHGOWTRF-UHFFFAOYSA-N	-1	1	473.392	4.669	1	0		JJAFMM
CCN(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)[C@@H](COCCO)c1ccccc1	ZINC000040568371	563146281	/nfs/dbraw/zinc/14/62/81/563146281.db2.gz	JALYOEQAGVCURF-SFHVURJKSA-N	-1	1	451.407	4.575	1	0		JJAFMM
C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)O[C@@H]1O)COS(=O)(=O)[O-]	ZINC000043021224	563164972	/nfs/dbraw/zinc/16/49/72/563164972.db2.gz	UTGHYWBAVNHHJG-SDSLYQAOSA-N	-1	1	484.655	4.973	1	0		JJAFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccn1	ZINC000058575945	563207676	/nfs/dbraw/zinc/20/76/76/563207676.db2.gz	CPEHTCUNEFNYGN-UHFFFAOYSA-N	-1	1	455.845	4.807	1	0		JJAFMM