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)c1cc(O)ccc1[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000821190965	593986700	/nfs/dbraw/zinc/98/67/00/593986700.db2.gz	IQOHKXDGTLHZEK-UHFFFAOYSA-N	-2	0	348.402	1.097	20	10		EDCDRL
Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776434200	580417211	/nfs/dbraw/zinc/41/72/11/580417211.db2.gz	AFLXOFXIPHCDJW-UHFFFAOYSA-N	-2	0	343.748	1.522	20	10		EDCDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1[O-]	ZINC000800840106	581059350	/nfs/dbraw/zinc/05/93/50/581059350.db2.gz	ZEYZRQHWDUOUIM-UHFFFAOYSA-N	-2	0	338.297	1.830	20	10		EDCDRL
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])O1	ZINC000911745751	592996124	/nfs/dbraw/zinc/99/61/24/592996124.db2.gz	UGUCYTPDDYHXHL-ZJUUUORDSA-N	-2	0	334.155	1.947	20	10		EDCDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)o1	ZINC000833323375	594827359	/nfs/dbraw/zinc/82/73/59/594827359.db2.gz	IRYXIBQRKMNPKV-UHFFFAOYSA-N	-3	0	327.270	1.182	20	10		EDCDRL
O=C(NC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1)C(F)(F)F	ZINC000291019165	443733950	/nfs/dbraw/zinc/73/39/50/443733950.db2.gz	DGYYMTSZBPJZTP-VIFPVBQESA-N	-2	0	346.305	1.629	20	10		EDCDRL
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000790406071	580768904	/nfs/dbraw/zinc/76/89/04/580768904.db2.gz	BHQVHTRQPAMAME-UHFFFAOYSA-N	-2	0	348.427	1.163	20	10		EDCDRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000013463974	595851106	/nfs/dbraw/zinc/85/11/06/595851106.db2.gz	VRADTXAZBDWJBY-UHFFFAOYSA-N	-2	0	325.346	1.242	20	10		EDCDRL
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000041091057	213415091	/nfs/dbraw/zinc/41/50/91/213415091.db2.gz	QZLCJTQEMBYBJR-UHFFFAOYSA-N	-2	0	337.309	1.589	20	10		EDCDRL
O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000833280425	594819617	/nfs/dbraw/zinc/81/96/17/594819617.db2.gz	IRLHALHAVUDWPQ-UHFFFAOYSA-N	-2	0	348.340	1.791	20	10		EDCDRL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1O	ZINC000797819278	580981675	/nfs/dbraw/zinc/98/16/75/580981675.db2.gz	CXUWTCVBRMTEJY-UHFFFAOYSA-N	-2	0	327.314	1.801	20	10		EDCDRL
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cnn2c1OCCC2	ZINC000882724103	598033662	/nfs/dbraw/zinc/03/36/62/598033662.db2.gz	ZXZOCDLFQUEENQ-UHFFFAOYSA-N	-2	0	347.755	1.965	20	10		EDCDRL
Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000757658392	579969662	/nfs/dbraw/zinc/96/96/62/579969662.db2.gz	ZQPAOWXVQYBHCN-UHFFFAOYSA-N	-2	0	328.371	1.965	20	10		EDCDRL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1O	ZINC000797819740	580981641	/nfs/dbraw/zinc/98/16/41/580981641.db2.gz	QFIJSYZSEQKSBP-UHFFFAOYSA-N	-2	0	339.325	1.605	20	10		EDCDRL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1O	ZINC000797820197	580981666	/nfs/dbraw/zinc/98/16/66/580981666.db2.gz	KZSJTNCDQNAICP-UHFFFAOYSA-N	-2	0	329.355	1.961	20	10		EDCDRL
COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1O	ZINC000797820078	580981638	/nfs/dbraw/zinc/98/16/38/580981638.db2.gz	FGNLWVSNNRSHNK-UHFFFAOYSA-N	-2	0	329.355	1.961	20	10		EDCDRL
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000821136029	593974958	/nfs/dbraw/zinc/97/49/58/593974958.db2.gz	ZMIXDXUEAGFCPO-UHFFFAOYSA-N	-2	0	342.323	1.831	20	10		EDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1O	ZINC000768279393	580210062	/nfs/dbraw/zinc/21/00/62/580210062.db2.gz	MTYFZIRSOTXGBT-UHFFFAOYSA-N	-2	0	328.733	1.940	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000776434923	580417203	/nfs/dbraw/zinc/41/72/03/580417203.db2.gz	QOWNKXUPQGRXAJ-UHFFFAOYSA-N	-2	0	328.733	1.940	20	10		EDCDRL
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000790411399	580769000	/nfs/dbraw/zinc/76/90/00/580769000.db2.gz	LETXQIWHMPCQDC-UHFFFAOYSA-N	-2	0	340.357	1.628	20	10		EDCDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757655248	579969583	/nfs/dbraw/zinc/96/95/83/579969583.db2.gz	KVVCOCOYUHXWHT-UHFFFAOYSA-N	-3	0	341.297	1.491	20	10		EDCDRL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000882723762	598033674	/nfs/dbraw/zinc/03/36/74/598033674.db2.gz	MRFZHFNCOKVEKL-LJQANCHMSA-N	-2	0	345.805	1.416	20	10		EDCDRL
CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000133763635	528742111	/nfs/dbraw/zinc/74/21/11/528742111.db2.gz	ZYUIJWQMDHWDDJ-UHFFFAOYSA-N	-2	0	340.361	1.954	20	10		EDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1O	ZINC000757653937	579969605	/nfs/dbraw/zinc/96/96/05/579969605.db2.gz	DTMCTCDFNIZXPV-UHFFFAOYSA-N	-2	0	328.733	1.940	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1	ZINC000776433074	580417112	/nfs/dbraw/zinc/41/71/12/580417112.db2.gz	LZOWLCFFMZZBJJ-UHFFFAOYSA-N	-2	0	328.733	1.940	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1OCO2	ZINC000800916476	581061687	/nfs/dbraw/zinc/06/16/87/581061687.db2.gz	DXXSGIMJEBVWFG-UHFFFAOYSA-N	-2	0	337.309	1.620	20	10		EDCDRL
O=C([O-])Cn1c(/C=C/c2c[nH]c(C(=O)[O-])c2)nc2ccccc2c1=O	ZINC000833270565	594817046	/nfs/dbraw/zinc/81/70/46/594817046.db2.gz	PTRXAPZXBBRYCY-AATRIKPKSA-N	-2	0	339.307	1.678	20	10		EDCDRL
Cc1oc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000833029135	594792617	/nfs/dbraw/zinc/79/26/17/594792617.db2.gz	CEBSVPVXZMGZDX-UHFFFAOYSA-N	-3	0	341.297	1.491	20	10		EDCDRL
Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776432987	580417103	/nfs/dbraw/zinc/41/71/03/580417103.db2.gz	IMWZTENVJFPLEQ-UHFFFAOYSA-N	-2	0	331.737	1.278	20	10		EDCDRL
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000821199123	593987868	/nfs/dbraw/zinc/98/78/68/593987868.db2.gz	UGZZCMIBKBDBML-GFCCVEGCSA-N	-2	0	346.361	1.774	20	10		EDCDRL
Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])nc1Cl	ZINC000776434852	580417224	/nfs/dbraw/zinc/41/72/24/580417224.db2.gz	OODUOWIAQFQORC-UHFFFAOYSA-N	-2	0	331.737	1.278	20	10		EDCDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1[O-]	ZINC000133741810	597997461	/nfs/dbraw/zinc/99/74/61/597997461.db2.gz	ZAJKJZXEAXMEQP-UHFFFAOYSA-N	-2	0	334.313	1.978	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000777909337	580452827	/nfs/dbraw/zinc/45/28/27/580452827.db2.gz	XVNYBSXUGXOLOI-UHFFFAOYSA-N	-2	0	337.357	1.498	20	10		EDCDRL
O=C([O-])NCc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000834246570	595068276	/nfs/dbraw/zinc/06/82/76/595068276.db2.gz	GLHDNINKBOPKEJ-UHFFFAOYSA-N	-2	0	348.340	1.791	20	10		EDCDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnn3c2OCCC3)ccc1[O-]	ZINC000821197568	593987768	/nfs/dbraw/zinc/98/77/68/593987768.db2.gz	DMODEFOHRJUVJS-UHFFFAOYSA-N	-2	0	340.317	1.080	20	10		EDCDRL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000833323356	594827166	/nfs/dbraw/zinc/82/71/66/594827166.db2.gz	GEWTUJDYXPFJHT-UHFFFAOYSA-N	-3	0	343.338	1.651	20	10		EDCDRL
CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000268155735	442874723	/nfs/dbraw/zinc/87/47/23/442874723.db2.gz	VTZANMGBYAUPTK-UHFFFAOYSA-N	-2	0	339.373	1.744	20	10		EDCDRL
CC(C)c1nc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c[nH]1	ZINC000133731878	597997155	/nfs/dbraw/zinc/99/71/55/597997155.db2.gz	UIDIDIUEKSBYEE-UHFFFAOYSA-N	-2	0	326.334	1.948	20	10		EDCDRL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cs1	ZINC000757655191	579969581	/nfs/dbraw/zinc/96/95/81/579969581.db2.gz	JWQVCXUAKFEKRM-UHFFFAOYSA-N	-2	0	343.338	1.651	20	10		EDCDRL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1[O-]	ZINC000775285808	580387266	/nfs/dbraw/zinc/38/72/66/580387266.db2.gz	CVWLVILJANJRTE-UHFFFAOYSA-N	-2	0	336.285	1.637	20	10		EDCDRL
CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1cc(F)c(O)cc1Cl	ZINC000901962165	591880135	/nfs/dbraw/zinc/88/01/35/591880135.db2.gz	AQAMPZAYENHHJY-LJQANCHMSA-N	-2	0	345.805	1.416	20	10		EDCDRL
COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000872365471	596895673	/nfs/dbraw/zinc/89/56/73/596895673.db2.gz	SJFSKUKRPCCDAC-MRVPVSSYSA-N	-2	0	347.343	1.875	20	10		EDCDRL
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000758774290	579991541	/nfs/dbraw/zinc/99/15/41/579991541.db2.gz	OOMOFHSATDKILC-UHFFFAOYSA-N	-2	0	338.341	1.432	20	10		EDCDRL
COc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1C(=O)[O-]	ZINC000788488826	580722716	/nfs/dbraw/zinc/72/27/16/580722716.db2.gz	FORXKFFQTPMNIN-UHFFFAOYSA-N	-2	0	349.324	1.730	20	10		EDCDRL
CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1	ZINC000776433091	580417143	/nfs/dbraw/zinc/41/71/43/580417143.db2.gz	NGYMZFLBCLPYRO-UHFFFAOYSA-N	-2	0	325.346	1.669	20	10		EDCDRL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000757653864	579969562	/nfs/dbraw/zinc/96/95/62/579969562.db2.gz	CJHBCSVEWHCMSC-UHFFFAOYSA-N	-2	0	345.764	1.587	20	10		EDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1O	ZINC000800837869	581059249	/nfs/dbraw/zinc/05/92/49/581059249.db2.gz	DVELMKZTLLHCFY-UHFFFAOYSA-N	-2	0	337.309	1.620	20	10		EDCDRL
CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000133732064	597997200	/nfs/dbraw/zinc/99/72/00/597997200.db2.gz	UTIYMLDYVVKXGG-UHFFFAOYSA-N	-2	0	326.334	1.879	20	10		EDCDRL
COc1ccsc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-]	ZINC000776432933	580417164	/nfs/dbraw/zinc/41/71/64/580417164.db2.gz	HWJHNUGKPZWPAY-UHFFFAOYSA-N	-2	0	329.355	1.961	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000776435082	580417205	/nfs/dbraw/zinc/41/72/05/580417205.db2.gz	XWCDWEQAWMXVAP-UHFFFAOYSA-N	-2	0	335.297	1.427	20	10		EDCDRL
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c(=O)s1	ZINC000821191461	593986957	/nfs/dbraw/zinc/98/69/57/593986957.db2.gz	NYKJAJNCVALYJG-UHFFFAOYSA-N	-2	0	330.343	1.142	20	10		EDCDRL
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1C	ZINC000268109020	442851478	/nfs/dbraw/zinc/85/14/78/442851478.db2.gz	HSHYYNLZNHBFOU-UHFFFAOYSA-N	-2	0	339.373	1.724	20	10		EDCDRL
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000775286576	580387220	/nfs/dbraw/zinc/38/72/20/580387220.db2.gz	YCIHFNWCYIEBLR-UHFFFAOYSA-N	-2	0	338.297	1.799	20	10		EDCDRL
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000792703445	580825132	/nfs/dbraw/zinc/82/51/32/580825132.db2.gz	WOGQXZUZUAQTJH-UHFFFAOYSA-N	-2	0	342.398	1.952	20	10		EDCDRL
O=C(CSc1n[nH]c(=O)[n-]1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839049	593203089	/nfs/dbraw/zinc/20/30/89/593203089.db2.gz	VYBLRAJJDIBCAP-UHFFFAOYSA-N	-2	0	349.199	1.931	20	10		EDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1O	ZINC000368017814	250198460	/nfs/dbraw/zinc/19/84/60/250198460.db2.gz	KGYHEZOSKROACQ-UHFFFAOYSA-N	-2	0	337.357	1.424	20	10		EDCDRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])o1	ZINC000776434745	580417223	/nfs/dbraw/zinc/41/72/23/580417223.db2.gz	MQNBGGKWKDNVTO-UHFFFAOYSA-N	-2	0	341.297	1.271	20	10		EDCDRL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F	ZINC000882723761	598033540	/nfs/dbraw/zinc/03/35/40/598033540.db2.gz	MRFZHFNCOKVEKL-IBGZPJMESA-N	-2	0	345.805	1.416	20	10		EDCDRL
Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-]	ZINC000753015322	579870572	/nfs/dbraw/zinc/87/05/72/579870572.db2.gz	CWGFFNZFAOKIEX-UHFFFAOYSA-N	-2	0	342.323	1.879	20	10		EDCDRL
CCn1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)nc1C	ZINC000775289121	580387399	/nfs/dbraw/zinc/38/73/99/580387399.db2.gz	RQITXPOHSQSYNZ-UHFFFAOYSA-N	-2	0	326.334	1.626	20	10		EDCDRL
CC(C)n1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cn1	ZINC000133763427	528575999	/nfs/dbraw/zinc/57/59/99/528575999.db2.gz	VDSDBTWZWOFEKR-UHFFFAOYSA-N	-2	0	326.334	1.879	20	10		EDCDRL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1O	ZINC000776460277	580417854	/nfs/dbraw/zinc/41/78/54/580417854.db2.gz	UNBBCSVEZWDLSL-UHFFFAOYSA-N	-2	0	335.297	1.427	20	10		EDCDRL
CCO[N-]C(=O)CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000845532042	595512680	/nfs/dbraw/zinc/51/26/80/595512680.db2.gz	HPWBRYVWHBHYFS-UHFFFAOYSA-N	-2	0	336.175	1.566	20	10		EDCDRL
Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])cc12	ZINC000776434898	580417242	/nfs/dbraw/zinc/41/72/42/580417242.db2.gz	PPTKPIKJYIXHIV-UHFFFAOYSA-N	-2	0	349.324	1.736	20	10		EDCDRL
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1C	ZINC000274879173	443613350	/nfs/dbraw/zinc/61/33/50/443613350.db2.gz	CFZPCTZDBZIXBS-UHFFFAOYSA-N	-2	0	339.373	1.724	20	10		EDCDRL
O=C1NCc2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])c21	ZINC000753018216	579870621	/nfs/dbraw/zinc/87/06/21/579870621.db2.gz	KVZILPITYNLOOJ-UHFFFAOYSA-N	-2	0	340.307	1.715	20	10		EDCDRL
O=C([O-])CCCN1C(=O)/C(=C\c2c[nH]c(C(=O)[O-])c2)SC1=S	ZINC000833226844	594809181	/nfs/dbraw/zinc/80/91/81/594809181.db2.gz	MBDAEEPMLHVXOB-WEVVVXLNSA-N	-2	0	340.382	1.779	20	10		EDCDRL
O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000833301307	594823006	/nfs/dbraw/zinc/82/30/06/594823006.db2.gz	WEPNOGNJOSIRPN-UHFFFAOYSA-N	-2	0	343.338	1.651	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000364415841	445919154	/nfs/dbraw/zinc/91/91/54/445919154.db2.gz	FGICOJRHERBCEA-UHFFFAOYSA-N	-2	0	337.357	1.424	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776434994	580417232	/nfs/dbraw/zinc/41/72/32/580417232.db2.gz	VILCUFBBZCGJHO-UHFFFAOYSA-N	-2	0	344.326	1.861	20	10		EDCDRL
Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)cc12	ZINC000757654111	579969597	/nfs/dbraw/zinc/96/95/97/579969597.db2.gz	FJJZEYVUQORQNV-UHFFFAOYSA-N	-2	0	349.324	1.736	20	10		EDCDRL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2)c1	ZINC000831829964	594705793	/nfs/dbraw/zinc/70/57/93/594705793.db2.gz	PSQWKGPSUWCGJY-UHFFFAOYSA-N	-2	0	337.309	1.589	20	10		EDCDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)ccc1O	ZINC000777908353	580452758	/nfs/dbraw/zinc/45/27/58/580452758.db2.gz	JWYNXSZRBSIUHH-UHFFFAOYSA-N	-2	0	347.299	1.353	20	10		EDCDRL
COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000775675405	580396980	/nfs/dbraw/zinc/39/69/80/580396980.db2.gz	CSTICCMNNQAUGZ-UHFFFAOYSA-N	-2	0	339.325	1.605	20	10		EDCDRL
O=C([O-])c1cccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000775288515	580387355	/nfs/dbraw/zinc/38/73/55/580387355.db2.gz	ONGHGIMFEZJWRG-UHFFFAOYSA-N	-2	0	338.297	1.799	20	10		EDCDRL
CCn1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c([N+](=O)[O-])n1	ZINC000776748735	580427665	/nfs/dbraw/zinc/42/76/65/580427665.db2.gz	DODSESNEYPSMFA-UHFFFAOYSA-N	-2	0	346.752	1.971	20	10		EDCDRL
CSc1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000792703002	580825158	/nfs/dbraw/zinc/82/51/58/580825158.db2.gz	MUIMCNUETCCOCB-UHFFFAOYSA-N	-2	0	328.371	1.941	20	10		EDCDRL
O=C([O-])COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000833260417	594815534	/nfs/dbraw/zinc/81/55/34/594815534.db2.gz	FIMYKSLKBJJWNI-UHFFFAOYSA-N	-2	0	349.324	1.487	20	10		EDCDRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000775287522	580387307	/nfs/dbraw/zinc/38/73/07/580387307.db2.gz	BPTXXWNIGVDFNC-UHFFFAOYSA-N	-3	0	342.285	1.701	20	10		EDCDRL
O=C(NC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1)C(F)(F)F	ZINC000291019163	443734434	/nfs/dbraw/zinc/73/44/34/443734434.db2.gz	DGYYMTSZBPJZTP-SECBINFHSA-N	-2	0	346.305	1.629	20	10		EDCDRL
CCOc1ccncc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000821198029	593987695	/nfs/dbraw/zinc/98/76/95/593987695.db2.gz	JTUVPYLRVGZVSN-UHFFFAOYSA-N	-2	0	339.329	1.895	20	10		EDCDRL
Cn1nc2c(c1S(=O)(=O)Nc1ccc(O)cc1F)CCCC2	ZINC000872361649	596895504	/nfs/dbraw/zinc/89/55/04/596895504.db2.gz	KZKSGGKAHPLWQJ-UHFFFAOYSA-N	-2	0	325.365	1.944	20	10		EDCDRL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1	ZINC000133738244	597997161	/nfs/dbraw/zinc/99/71/61/597997161.db2.gz	MVRBXWZAVBYTIJ-UHFFFAOYSA-N	-2	0	346.752	1.797	20	10		EDCDRL
O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000819626243	593761747	/nfs/dbraw/zinc/76/17/47/593761747.db2.gz	LKPQCVANQHQCCC-UHFFFAOYSA-N	-2	0	333.325	1.651	20	10		EDCDRL
COc1ccsc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1	ZINC000760365154	580029222	/nfs/dbraw/zinc/02/92/22/580029222.db2.gz	LIBDWYNEGCRTIU-UHFFFAOYSA-N	-2	0	329.355	1.961	20	10		EDCDRL
O=C([O-])CCCN1C(=O)/C(=C/c2c[nH]c(C(=O)[O-])c2)SC1=S	ZINC000833226843	594809259	/nfs/dbraw/zinc/80/92/59/594809259.db2.gz	MBDAEEPMLHVXOB-UITAMQMPSA-N	-2	0	340.382	1.779	20	10		EDCDRL
Cc1ncc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1C#N	ZINC000324492777	696268980	/nfs/dbraw/zinc/26/89/80/696268980.db2.gz	DWWCTKSENVNPKR-UHFFFAOYSA-N	-2	0	333.325	1.466	20	10		EDCDRL
O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000777908757	580452837	/nfs/dbraw/zinc/45/28/37/580452837.db2.gz	MCOJIIFGBMCWPJ-UHFFFAOYSA-N	-2	0	347.299	1.353	20	10		EDCDRL
COCCOCCS(=O)(=O)Nc1cc(F)c(O)cc1Cl	ZINC000901962705	591879951	/nfs/dbraw/zinc/87/99/51/591879951.db2.gz	KWNBNZRDVYUUIS-UHFFFAOYSA-N	-2	0	327.761	1.589	20	10		EDCDRL
Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])s1	ZINC000776434427	580417237	/nfs/dbraw/zinc/41/72/37/580417237.db2.gz	FHLQGHYLBBDTEN-UHFFFAOYSA-N	-2	0	328.371	1.965	20	10		EDCDRL