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-])CN1C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S	ZINC000009311769	132338511	/nfs/dbraw/zinc/33/85/11/132338511.db2.gz	QHVLCZOJMMRACO-MDWZMJQESA-N	-1	0	409.445	1.717	50	10		HDCARM
COc1ccc(S(=O)(=O)Oc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1	ZINC000002807032	557393321	/nfs/dbraw/zinc/39/33/21/557393321.db2.gz	DSHNMBLSUQRKEV-UHFFFAOYSA-N	-1	0	402.384	1.212	50	10		HDCARM
COc1ccccc1N1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000101048210	560767338	/nfs/dbraw/zinc/76/73/38/560767338.db2.gz	AJXLCLDHGMNPAN-JLHYYAGUSA-N	-1	0	411.439	1.845	50	10		HDCARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000101766160	560799646	/nfs/dbraw/zinc/79/96/46/560799646.db2.gz	AVRYATFXDZJJMR-MRXNPFEDSA-N	-1	0	413.478	1.713	50	10		HDCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNCc1ccc2c(c1)OCO2	ZINC000005763410	568454790	/nfs/dbraw/zinc/45/47/90/568454790.db2.gz	VMQCDHZIZSZRRG-WJDWOHSUSA-N	-1	0	411.389	1.849	50	10	aggregator	HDCARM
COc1ccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1	ZINC000218355426	568479113	/nfs/dbraw/zinc/47/91/13/568479113.db2.gz	IAQSULKKCLYXHU-OAQYLSRUSA-N	-1	0	403.479	1.638	50	10		HDCARM
O=C1[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C(=O)N1	ZINC000002784833	568808758	/nfs/dbraw/zinc/80/87/58/568808758.db2.gz	USJGMJUXANTUOF-UHFFFAOYSA-N	-1	0	406.803	1.857	50	10		HDCARM
Cc1c(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(=O)oc2c1cc1c3c2CCCN3CCC1	ZINC000012664208	569402699	/nfs/dbraw/zinc/40/26/99/569402699.db2.gz	XRCKIUMZQDXNFP-YBEGLDIGSA-N	-1	0	407.426	1.892	50	10	biogenic	HDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1O	ZINC000000997865	557138834	/nfs/dbraw/zinc/13/88/34/557138834.db2.gz	UZWXGPTYKXQYFP-UHFFFAOYSA-N	-1	0	420.013	1.675	50	10		HDCARM
COc1ccc([C@@H](CC(=O)[O-])NC=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12	ZINC000020623681	558394340	/nfs/dbraw/zinc/39/43/40/558394340.db2.gz	INZVVERFLVZONR-MRXNPFEDSA-N	-1	0	411.414	1.888	50	10		HDCARM
COc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000005102308	559246627	/nfs/dbraw/zinc/24/66/27/559246627.db2.gz	KVZTVEVPFAUUHC-UHFFFAOYSA-N	-1	0	412.398	1.911	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2\C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)CC1	ZINC000096254777	568712195	/nfs/dbraw/zinc/71/21/95/568712195.db2.gz	ATLHRWVPKDJTLI-FOWTUZBSSA-N	-1	0	417.487	1.602	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)CC1	ZINC000001161879	535597133	/nfs/dbraw/zinc/59/71/33/535597133.db2.gz	KPRWDOGMGTWOLA-VBKFSLOCSA-N	-1	0	401.419	1.437	50	10		HDCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc(I)c1OC	ZINC000001202736	557240095	/nfs/dbraw/zinc/24/00/95/557240095.db2.gz	ZRPNXDCXAMFKKE-XBXARRHUSA-N	-1	0	416.171	1.400	50	10		HDCARM
CCOC(=O)CSCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000002834394	557766919	/nfs/dbraw/zinc/76/69/19/557766919.db2.gz	OXNFLBPOLNQSIT-UHFFFAOYSA-N	-1	0	408.432	1.960	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	ZINC000001462094	557268730	/nfs/dbraw/zinc/26/87/30/557268730.db2.gz	IQTGUGSAYIMIAN-ZEIZSXSISA-N	-1	0	404.469	1.868	50	10		HDCARM
Cc1cccc(N2[N-]C(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)c1	ZINC000016266528	558782372	/nfs/dbraw/zinc/78/23/72/558782372.db2.gz	CFUQZENQGQYKPA-UYRXBGFRSA-N	-1	0	422.466	1.895	50	10		HDCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCCN1CCOCC1	ZINC000100788971	559267122	/nfs/dbraw/zinc/26/71/22/559267122.db2.gz	LNBBVXKARDEVIR-SDNWHVSQSA-N	-1	0	412.368	1.094	50	10		HDCARM
CC1(C)OC(=O)C(C=Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C(=O)O1	ZINC000000643591	568457067	/nfs/dbraw/zinc/45/70/67/568457067.db2.gz	ATMDGOOPEVITFM-UHFFFAOYSA-N	-1	0	404.404	1.409	50	10		HDCARM
Cc1c(C)c(=O)oc2c1ccc([O-])c2CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000079476742	569431502	/nfs/dbraw/zinc/43/15/02/569431502.db2.gz	CZJMABSBEOTCNW-OAHLLOKOSA-N	-1	0	406.504	1.420	50	10	biogenic	HDCARM
CNS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000006792518	132316585	/nfs/dbraw/zinc/31/65/85/132316585.db2.gz	ZAEQFOMGVILKTP-PTNGSMBKSA-N	-1	0	400.416	1.174	50	10		HDCARM
O=C(c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21)N1CCOCC1	ZINC000000843773	557098263	/nfs/dbraw/zinc/09/82/63/557098263.db2.gz	RATQXYIMHHYOQT-UHFFFAOYSA-N	-1	0	404.473	1.965	50	10		HDCARM
COc1ccc(OC)c(N2C(=O)C(=CNCCCn3ccnc3)C(=O)[N-]C2=S)c1	ZINC000019997850	558317481	/nfs/dbraw/zinc/31/74/81/558317481.db2.gz	GKAQXXWXASMUMK-SDNWHVSQSA-N	-1	0	415.475	1.212	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)CC1	ZINC000096247368	568709972	/nfs/dbraw/zinc/70/99/72/568709972.db2.gz	QUKZJHKLQJNZMS-FOWTUZBSSA-N	-1	0	401.488	1.902	50	10		HDCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OC	ZINC000000993884	557136803	/nfs/dbraw/zinc/13/68/03/557136803.db2.gz	ANNQMAWKFKXQRY-UHFFFAOYSA-N	-1	0	416.171	1.448	50	10		HDCARM
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000002726931	557753909	/nfs/dbraw/zinc/75/39/09/557753909.db2.gz	SSDNYJMOGICCGC-UHFFFAOYSA-N	-1	0	416.411	1.521	50	10		HDCARM
CCOC(=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@]1(O)C(F)(F)F	ZINC000034909260	558787319	/nfs/dbraw/zinc/78/73/19/558787319.db2.gz	HFPVHFKMWIGMJN-OUJBWJOFSA-N	-1	0	409.342	1.249	50	10		HDCARM
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000004812572	559069550	/nfs/dbraw/zinc/06/95/50/559069550.db2.gz	WZGAXPOXSGYWDY-UHFFFAOYSA-N	-1	0	412.423	1.887	50	10		HDCARM
O=C(COc1ccccc1)[N-]S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	ZINC000000866373	568723617	/nfs/dbraw/zinc/72/36/17/568723617.db2.gz	AOPZILCKEIPSCA-XUTLUUPISA-N	-1	0	404.448	1.901	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000009420285	571256830	/nfs/dbraw/zinc/25/68/30/571256830.db2.gz	FDPNBOXCUBYBBE-WLRTZDKTSA-N	-1	0	404.425	1.585	50	10		HDCARM
COc1ccccc1N1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S	ZINC000005625679	132307168	/nfs/dbraw/zinc/30/71/68/132307168.db2.gz	AJXLCLDHGMNPAN-RAXLEYEMSA-N	-1	0	411.439	1.845	50	10		HDCARM
CCOC(=O)CCNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000006594730	132312028	/nfs/dbraw/zinc/31/20/28/132312028.db2.gz	BKROYGYYUWROAH-FMIVXFBMSA-N	-1	0	410.224	1.459	50	10		HDCARM
COc1ccc(N2CCN(C(=O)Cc3csc([N-]S(C)(=O)=O)n3)CC2)cc1	ZINC000012323040	536684788	/nfs/dbraw/zinc/68/47/88/536684788.db2.gz	SRYHAKHONPOOBW-UHFFFAOYSA-N	-1	0	410.521	1.415	50	10		HDCARM
CCOC(=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@@]1(O)C(F)(F)F	ZINC000011859292	558289775	/nfs/dbraw/zinc/28/97/75/558289775.db2.gz	HFPVHFKMWIGMJN-KWBADKCTSA-N	-1	0	409.342	1.249	50	10		HDCARM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000069876247	558544844	/nfs/dbraw/zinc/54/48/44/558544844.db2.gz	RCNLUZJPJBQFSV-UHFFFAOYSA-N	-1	0	400.434	1.142	50	10		HDCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNc3ccccc3N)C2=O)cc1OC	ZINC000005703506	560799364	/nfs/dbraw/zinc/79/93/64/560799364.db2.gz	NPHNKGAKVGXDID-WYMLVPIESA-N	-1	0	410.430	1.903	50	10		HDCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc(I)c1O	ZINC000015218993	568819122	/nfs/dbraw/zinc/81/91/22/568819122.db2.gz	LNZKYMWPACKUFT-CLTKARDFSA-N	-1	0	402.144	1.097	50	10		HDCARM
Cc1cc([N-]S(=O)(=O)c2ccc(N=CC3C(=O)OC(C)(C)OC3=O)cc2)no1	ZINC000010121082	571295346	/nfs/dbraw/zinc/29/53/46/571295346.db2.gz	MDNVMXCPNBBFMG-UHFFFAOYSA-N	-1	0	407.404	1.916	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)CC1	ZINC000012729706	535596741	/nfs/dbraw/zinc/59/67/41/535596741.db2.gz	ZILPGRNSNCBWKH-LGMDPLHJSA-N	-1	0	415.446	1.827	50	10		HDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000034926573	558787771	/nfs/dbraw/zinc/78/77/71/558787771.db2.gz	FIUAKHXUWJOBGM-UHFFFAOYSA-N	-1	0	401.419	1.164	50	10		HDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1F	ZINC000005000375	559226439	/nfs/dbraw/zinc/22/64/39/559226439.db2.gz	FGMADPOTURLJHF-UHFFFAOYSA-N	-1	0	413.361	1.601	50	10		HDCARM
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000101083146	560773105	/nfs/dbraw/zinc/77/31/05/560773105.db2.gz	NSJVKVBOFWCDRD-UHFFFAOYSA-N	-1	0	406.464	1.302	50	10		HDCARM
COc1ccc(N2CCN(CCNC(=O)Cc3c(C(=O)[O-])c(C)cn3C)CC2)cc1	ZINC000064980554	569140923	/nfs/dbraw/zinc/14/09/23/569140923.db2.gz	HMCPCNRPLKFIEE-UHFFFAOYSA-N	-1	0	414.506	1.521	50	10		HDCARM
CNC(=O)[C@@H]1CN(Cc2ccc(Cl)c(I)c2[O-])CCO1	ZINC000170609070	569244929	/nfs/dbraw/zinc/24/49/29/569244929.db2.gz	JLHSQWHJTKCDPO-JTQLQIEISA-N	-1	0	410.639	1.597	50	10		HDCARM
CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)ccc1OCC(=O)[O-]	ZINC000004723938	557586877	/nfs/dbraw/zinc/58/68/77/557586877.db2.gz	JULLMLQJHYKRJI-UHFFFAOYSA-N	-1	0	406.460	1.928	50	10		HDCARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000000670156	568460830	/nfs/dbraw/zinc/46/08/30/568460830.db2.gz	PPOBXYNASSSNJU-CPNJWEJPSA-N	-1	0	422.466	1.895	50	10		HDCARM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	ZINC000000850348	568712179	/nfs/dbraw/zinc/71/21/79/568712179.db2.gz	BTJIBMSPYCCFTA-LQTLECTNSA-N	-1	0	418.475	1.992	50	10		HDCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(Cn2cncn2)cc1	ZINC000009060888	571217507	/nfs/dbraw/zinc/21/75/07/571217507.db2.gz	WYTWSHQNYLJYSZ-UNOMPAQXSA-N	-1	0	416.441	1.943	50	10		HDCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004837036	132290017	/nfs/dbraw/zinc/29/00/17/132290017.db2.gz	BYQGCCZUWCOBPW-UVTDQMKNSA-N	-1	0	411.370	1.511	50	10		HDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)CCO)cc1	ZINC000006196339	132309691	/nfs/dbraw/zinc/30/96/91/132309691.db2.gz	JQWBSJDAEQTQFV-VBKFSLOCSA-N	-1	0	415.427	1.031	50	10		HDCARM
NC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21	ZINC000002966048	557777598	/nfs/dbraw/zinc/77/75/98/557777598.db2.gz	CXHPDNROJJFMCO-LICLKQGHSA-N	-1	0	402.410	1.789	50	10		HDCARM
CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1	ZINC000101762352	560800506	/nfs/dbraw/zinc/80/05/06/560800506.db2.gz	QZPAIPQYVUJCMR-QGZVFWFLSA-N	-1	0	405.458	1.795	50	10		HDCARM
Cc1cc(S(N)(=O)=O)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000103871630	560844597	/nfs/dbraw/zinc/84/45/97/560844597.db2.gz	DTGJMPYKPPSHBD-GXDHUFHOSA-N	-1	0	400.416	1.221	50	10		HDCARM
CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc3nsnc32)c1	ZINC000019079774	568752808	/nfs/dbraw/zinc/75/28/08/568752808.db2.gz	BHALTXRQAUPJRC-UHFFFAOYSA-N	-1	0	414.490	1.448	50	10		HDCARM
O=C1[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C(=O)N1	ZINC000008860891	571128419	/nfs/dbraw/zinc/12/84/19/571128419.db2.gz	YUQCCWXVYPPNIZ-UHFFFAOYSA-N	-1	0	417.355	1.952	50	10		HDCARM
CN1CCN(c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000019804688	558285851	/nfs/dbraw/zinc/28/58/51/558285851.db2.gz	WKRPMJFFYWUCQE-DUXPYHPUSA-N	-1	0	402.367	1.214	50	10	biogenic,in-vitro	HDCARM
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000004723737	557586845	/nfs/dbraw/zinc/58/68/45/557586845.db2.gz	STRDOMDYZZZBCQ-UHFFFAOYSA-N	-1	0	412.423	1.887	50	10		HDCARM
COc1cccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)c1	ZINC000101090075	560776155	/nfs/dbraw/zinc/77/61/55/560776155.db2.gz	AFWVMOWGMMOVHR-XNTDXEJSSA-N	-1	0	411.439	1.845	50	10		HDCARM
COc1c(I)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000001022956	568763767	/nfs/dbraw/zinc/76/37/67/568763767.db2.gz	SXTPUPKBUYBBRY-UHFFFAOYSA-N	-1	0	417.115	1.798	50	10		HDCARM
NC(=O)NCCCCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)OCO3)C1=O	ZINC000009058718	571217010	/nfs/dbraw/zinc/21/70/10/571217010.db2.gz	VOAGDAAQLKQLKI-LCYFTJDESA-N	-1	0	402.407	1.106	50	10	biogenic	HDCARM
O=C([O-])CCN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S	ZINC000009419902	571256713	/nfs/dbraw/zinc/25/67/13/571256713.db2.gz	XWDMGPUFSRHYJZ-VGOFMYFVSA-N	-1	0	418.452	1.975	50	10		HDCARM
O=C1[N-]C(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1	ZINC000002950047	557430182	/nfs/dbraw/zinc/43/01/82/557430182.db2.gz	CJIJNQNWSQPWHB-UHFFFAOYSA-N	-1	0	417.355	1.952	50	10		HDCARM
O=C1[N-]C(=O)C(=Cc2cc(Br)c(I)o2)C(=O)N1	ZINC000008456339	557791723	/nfs/dbraw/zinc/79/17/23/557791723.db2.gz	SCNLYQMMIWLMLJ-UHFFFAOYSA-N	-1	0	410.949	1.396	50	10		HDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1	ZINC000013566773	558541260	/nfs/dbraw/zinc/54/12/60/558541260.db2.gz	JIRNJXRNKWBJIX-PTNGSMBKSA-N	-1	0	405.414	1.764	50	10		HDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000034926452	558787765	/nfs/dbraw/zinc/78/77/65/558787765.db2.gz	SJGLEGHQJKJLGX-UHFFFAOYSA-N	-1	0	402.447	1.962	50	10		HDCARM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000012418936	560780607	/nfs/dbraw/zinc/78/06/07/560780607.db2.gz	DBLHCAHADZFWOP-GZTJUZNOSA-N	-1	0	411.414	1.787	50	10		HDCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C1=O	ZINC000008660964	571099445	/nfs/dbraw/zinc/09/94/45/571099445.db2.gz	DLZGFVWDKVMOKT-ADFUCPMPSA-N	-1	0	424.457	1.418	50	10		HDCARM
CC(C)c1ccc(N2C(=O)C(=CNCCN3CCOCC3)C(=O)[N-]C2=S)cc1	ZINC000019950158	558314814	/nfs/dbraw/zinc/31/48/14/558314814.db2.gz	YBBMEQLZHGIXRI-GHRIWEEISA-N	-1	0	402.520	1.363	50	10		HDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)c1	ZINC000013126100	558518571	/nfs/dbraw/zinc/51/85/71/558518571.db2.gz	NIJGYMNCBQYNEW-GDNBJRDFSA-N	-1	0	400.416	1.221	50	10		HDCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)CCO)cc1	ZINC000103732787	560844109	/nfs/dbraw/zinc/84/41/09/560844109.db2.gz	JQWBSJDAEQTQFV-FOWTUZBSSA-N	-1	0	415.427	1.031	50	10		HDCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CC(=O)NCCCOC)c3ccccc23)C1=O	ZINC000005867621	568827069	/nfs/dbraw/zinc/82/70/69/568827069.db2.gz	FRCIRTCKXOQGCB-LFIBNONCSA-N	-1	0	412.446	1.276	50	10		HDCARM
Cc1c(C)c(=O)oc2c1ccc([O-])c2CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000079476746	569431524	/nfs/dbraw/zinc/43/15/24/569431524.db2.gz	CZJMABSBEOTCNW-HNNXBMFYSA-N	-1	0	406.504	1.420	50	10	biogenic	HDCARM
COc1ccc(CNC=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1	ZINC000002892758	132259250	/nfs/dbraw/zinc/25/92/50/132259250.db2.gz	UBWYAGJIWIKACL-VBKFSLOCSA-N	-1	0	411.414	1.969	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)CC1	ZINC000001163437	535597311	/nfs/dbraw/zinc/59/73/11/535597311.db2.gz	ATLHRWVPKDJTLI-VBKFSLOCSA-N	-1	0	417.487	1.602	50	10		HDCARM
COc1ccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1	ZINC000005625631	536657870	/nfs/dbraw/zinc/65/78/70/536657870.db2.gz	DSVIYKHWWOWBKN-GDNBJRDFSA-N	-1	0	411.439	1.845	50	10		HDCARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1	ZINC000006492069	557705232	/nfs/dbraw/zinc/70/52/32/557705232.db2.gz	MLTAZXJWHOHOPP-WJDWOHSUSA-N	-1	0	420.425	1.515	50	10		HDCARM
Cn1c2cc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000012652806	558444306	/nfs/dbraw/zinc/44/43/06/558444306.db2.gz	CVGZYKKWZYUQCA-NYYWCZLTSA-N	-1	0	408.417	1.071	50	10		HDCARM
CCOC(=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@]1(O)C(F)(F)F	ZINC000034909263	558787361	/nfs/dbraw/zinc/78/73/61/558787361.db2.gz	HFPVHFKMWIGMJN-OPQQBVKSSA-N	-1	0	409.342	1.249	50	10		HDCARM
NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000013425308	569413855	/nfs/dbraw/zinc/41/38/55/569413855.db2.gz	JTVACSPCSGFZMD-AQTBWJFISA-N	-1	0	408.439	1.586	50	10		HDCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNCCCn1ccnc1	ZINC000019995658	558317588	/nfs/dbraw/zinc/31/75/88/558317588.db2.gz	TXUKCKQQBLZZTC-GXDHUFHOSA-N	-1	0	418.251	1.792	50	10		HDCARM
CCOC(=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=S)N[C@@]1(O)C(F)(F)F	ZINC000016844389	558808497	/nfs/dbraw/zinc/80/84/97/558808497.db2.gz	HFPVHFKMWIGMJN-CWSCBRNRSA-N	-1	0	409.342	1.249	50	10		HDCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C1=O	ZINC000008660965	571099471	/nfs/dbraw/zinc/09/94/71/571099471.db2.gz	DLZGFVWDKVMOKT-ZXMBATIKSA-N	-1	0	424.457	1.418	50	10		HDCARM
CNS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000006064868	132309025	/nfs/dbraw/zinc/30/90/25/132309025.db2.gz	PTORMZYRJRKGNT-WJDWOHSUSA-N	-1	0	414.443	1.482	50	10		HDCARM
O=C(COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)N1CCOCC1	ZINC000012731632	558457429	/nfs/dbraw/zinc/45/74/29/558457429.db2.gz	MRLJBASOVPJJIA-JXAWBTAJSA-N	-1	0	407.426	1.386	50	10		HDCARM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)cc1	ZINC000013944103	558605522	/nfs/dbraw/zinc/60/55/22/558605522.db2.gz	INTRPSYVRVQXSB-QPEQYQDCSA-N	-1	0	424.481	1.880	50	10		HDCARM
COC(=O)c1ccc(Cl)cc1N=Cc1c(C)[n-]n([C@H]2CCS(=O)(=O)C2)c1=O	ZINC000013654931	558851048	/nfs/dbraw/zinc/85/10/48/558851048.db2.gz	JFIVWXLBNZSMNH-QENILXLESA-N	-1	0	411.867	1.828	50	10		HDCARM
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000004739814	559043247	/nfs/dbraw/zinc/04/32/47/559043247.db2.gz	FTSPJMAYPYMMCH-UHFFFAOYSA-N	-1	0	402.384	1.480	50	10		HDCARM
CCCc1cc(=O)oc2c1ccc([O-])c2CN1CCN(S(=O)(=O)N(C)C)CC1	ZINC000079476235	560541756	/nfs/dbraw/zinc/54/17/56/560541756.db2.gz	BZVCSXDPPYAAIZ-UHFFFAOYSA-N	-1	0	409.508	1.375	50	10		HDCARM
CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101494706	560796128	/nfs/dbraw/zinc/79/61/28/560796128.db2.gz	PSIZOSVFYQXKFP-OAHLLOKOSA-N	-1	0	401.492	1.922	50	10		HDCARM
CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1	ZINC000101762347	560800395	/nfs/dbraw/zinc/80/03/95/560800395.db2.gz	QZPAIPQYVUJCMR-KRWDZBQOSA-N	-1	0	405.458	1.795	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)SC1=S	ZINC000013058460	569052953	/nfs/dbraw/zinc/05/29/53/569052953.db2.gz	NMBFULSKCCPRIP-NTEUORMPSA-N	-1	0	406.485	1.974	50	10		HDCARM
O=C1[N-]C(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C(=O)N1	ZINC000008512547	571067408	/nfs/dbraw/zinc/06/74/08/571067408.db2.gz	QJGDUXGPACDUOI-UHFFFAOYSA-N	-1	0	412.855	1.176	50	10		HDCARM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1Br	ZINC000004704497	557584463	/nfs/dbraw/zinc/58/44/63/557584463.db2.gz	JIORDFFQWDSLFP-UXBLZVDNSA-N	-1	0	411.208	1.483	50	10		HDCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNCCN1CCOCC1	ZINC000020023722	558321828	/nfs/dbraw/zinc/32/18/28/558321828.db2.gz	LNBBVXKARDEVIR-KAMYIIQDSA-N	-1	0	412.368	1.094	50	10		HDCARM
O=C(c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)N1CCOCC1	ZINC000097944367	559124652	/nfs/dbraw/zinc/12/46/52/559124652.db2.gz	ZBWTYWJCJZVSGE-JXAWBTAJSA-N	-1	0	420.425	1.738	50	10		HDCARM
CC(=O)N1N=C(c2c([O-])n(C)c(=S)n(C)c2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000101494703	560796084	/nfs/dbraw/zinc/79/60/84/560796084.db2.gz	PSIZOSVFYQXKFP-HNNXBMFYSA-N	-1	0	401.492	1.922	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)CC1	ZINC000096247367	568709969	/nfs/dbraw/zinc/70/99/69/568709969.db2.gz	GXGRTZMQRDFBNY-RVDMUPIBSA-N	-1	0	405.451	1.732	50	10		HDCARM
COc1ccc(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1	ZINC000218355501	568479074	/nfs/dbraw/zinc/47/90/74/568479074.db2.gz	IAQSULKKCLYXHU-NRFANRHFSA-N	-1	0	403.479	1.638	50	10		HDCARM
COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000002783083	557387183	/nfs/dbraw/zinc/38/71/83/557387183.db2.gz	KXDNDLKHXOGFOJ-UHFFFAOYSA-N	-1	0	402.384	1.212	50	10		HDCARM
O=C1[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1	ZINC000002949344	557429844	/nfs/dbraw/zinc/42/98/44/557429844.db2.gz	ABGIGFBHDPKKBX-UHFFFAOYSA-N	-1	0	417.355	1.952	50	10		HDCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNc3cc(C)on3)C2=O)cc1OC	ZINC000013628831	558551815	/nfs/dbraw/zinc/55/18/15/558551815.db2.gz	LQCCKWPEAVNLTK-RAXLEYEMSA-N	-1	0	400.391	1.617	50	10		HDCARM
CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000001090800	568769304	/nfs/dbraw/zinc/76/93/04/568769304.db2.gz	YDBPVMPIZYDZCL-UHFFFAOYSA-N	-1	0	416.171	1.448	50	10		HDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000003239414	568847832	/nfs/dbraw/zinc/84/78/32/568847832.db2.gz	ASUNVZUANXFREK-UHFFFAOYSA-N	-1	0	409.398	1.771	50	10		HDCARM
NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000038176753	568975029	/nfs/dbraw/zinc/97/50/29/568975029.db2.gz	VESWUYPPQLTGGL-ZROIWOOFSA-N	-1	0	420.834	1.566	50	10		HDCARM
CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC=C3C(=O)[N-]C(=O)NC3=O)c21	ZINC000009341978	571250008	/nfs/dbraw/zinc/25/00/08/571250008.db2.gz	SXXCMRROPGVPNC-UHFFFAOYSA-N	-1	0	400.391	1.334	50	10		HDCARM
Cc1cc(S(N)(=O)=O)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000006500895	132311244	/nfs/dbraw/zinc/31/12/44/132311244.db2.gz	DTGJMPYKPPSHBD-UVTDQMKNSA-N	-1	0	400.416	1.221	50	10		HDCARM
COc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1NS(C)(=O)=O	ZINC000032088086	522757890	/nfs/dbraw/zinc/75/78/90/522757890.db2.gz	FVKDLCHWVNEQKY-UHFFFAOYSA-N	-1	0	401.422	1.776	50	10		HDCARM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1	ZINC000002388698	557343187	/nfs/dbraw/zinc/34/31/87/557343187.db2.gz	INTRPSYVRVQXSB-NTUHNPAUSA-N	-1	0	424.481	1.880	50	10		HDCARM
CNS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000103732777	560844076	/nfs/dbraw/zinc/84/40/76/560844076.db2.gz	ZAEQFOMGVILKTP-RVDMUPIBSA-N	-1	0	400.416	1.174	50	10		HDCARM
CCc1cc(=O)oc2c1ccc([O-])c2CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000095479441	568632604	/nfs/dbraw/zinc/63/26/04/568632604.db2.gz	LOYXUKIVSCXBOA-HNNXBMFYSA-N	-1	0	406.504	1.366	50	10		HDCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc(I)c1O	ZINC000001104061	568771989	/nfs/dbraw/zinc/77/19/89/568771989.db2.gz	PXUOFZRKEGUGRE-XBXARRHUSA-N	-1	0	416.171	1.487	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C/c2ccccc2OCC(=O)N2CCCC2)SC1=S	ZINC000057399206	568831726	/nfs/dbraw/zinc/83/17/26/568831726.db2.gz	NMBFULSKCCPRIP-ZROIWOOFSA-N	-1	0	406.485	1.974	50	10		HDCARM
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036654464	569216818	/nfs/dbraw/zinc/21/68/18/569216818.db2.gz	APPLDYUWAQZOIA-UHFFFAOYSA-N	-1	0	421.431	1.488	50	10		HDCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(Cn2cncn2)cc1	ZINC000009305775	571246671	/nfs/dbraw/zinc/24/66/71/571246671.db2.gz	UMWBPNVKEBXYMC-ZDLGFXPLSA-N	-1	0	402.414	1.901	50	10		HDCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)cc1C	ZINC000001407315	132245802	/nfs/dbraw/zinc/24/58/02/132245802.db2.gz	VDMIYMDPEHWQMF-LICLKQGHSA-N	-1	0	409.467	1.999	50	10		HDCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000000863725	527048268	/nfs/dbraw/zinc/04/82/68/527048268.db2.gz	BYQGCCZUWCOBPW-GXDHUFHOSA-N	-1	0	411.370	1.511	50	10		HDCARM
O=C1[N-]C(=O)C(=Cc2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)C(=O)N1	ZINC000002949393	557429951	/nfs/dbraw/zinc/42/99/51/557429951.db2.gz	RHOCGYUBCANQHG-UHFFFAOYSA-N	-1	0	417.355	1.952	50	10		HDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNn3c(C)nc4ccccc4c3=O)C2=O)cc1	ZINC000004739904	559043185	/nfs/dbraw/zinc/04/31/85/559043185.db2.gz	CKLMAWCVJGJPCC-WJDWOHSUSA-N	-1	0	403.398	1.724	50	10		HDCARM
CC(NN1CCN(C)CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)[O-]	ZINC000100430759	559199882	/nfs/dbraw/zinc/19/98/82/559199882.db2.gz	NKLYLVXPDSEESA-SFQUDFHCSA-N	-1	0	414.491	1.500	50	10		HDCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1O	ZINC000005564848	560615919	/nfs/dbraw/zinc/61/59/19/560615919.db2.gz	YWOACPPMXKFPCF-UHFFFAOYSA-N	-1	0	402.144	1.145	50	10		HDCARM
O=C(c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1)N1CCOCC1	ZINC000008440837	569003002	/nfs/dbraw/zinc/00/30/02/569003002.db2.gz	ZBWTYWJCJZVSGE-NBVRZTHBSA-N	-1	0	420.425	1.738	50	10		HDCARM
COc1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000004550791	569255445	/nfs/dbraw/zinc/25/54/45/569255445.db2.gz	OZGRYIMVODWLOW-UHFFFAOYSA-N	-1	0	412.398	1.911	50	10		HDCARM
COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)CC2)cc1	ZINC000001108896	132237209	/nfs/dbraw/zinc/23/72/09/132237209.db2.gz	CBUZWBKEEMHEHO-LJQANCHMSA-N	-1	0	409.442	1.848	50	10		HDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OC	ZINC000002920610	557427135	/nfs/dbraw/zinc/42/71/35/557427135.db2.gz	JEGWULPVQBMBGK-UHFFFAOYSA-N	-1	0	402.144	1.058	50	10		HDCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=CN[C@@H](CO)Cc3ccccc3)C2=O)cc1	ZINC000020624173	558394660	/nfs/dbraw/zinc/39/46/60/558394660.db2.gz	LMADHOOQJBCEDG-UEXNTNOUSA-N	-1	0	409.442	1.351	50	10		HDCARM
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000017223217	558826155	/nfs/dbraw/zinc/82/61/55/558826155.db2.gz	PCGQGIYCBXXXPJ-BJMVGYQFSA-N	-1	0	404.385	1.886	50	10		HDCARM
COC(=O)c1ccc(Cl)cc1N=Cc1c(C)[n-]n([C@@H]2CCS(=O)(=O)C2)c1=O	ZINC000013654929	558851165	/nfs/dbraw/zinc/85/11/65/558851165.db2.gz	JFIVWXLBNZSMNH-UGMNDJHYSA-N	-1	0	411.867	1.828	50	10		HDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNn3c(C)nc4ccccc4c3=O)C2=O)c1	ZINC000005548091	560607790	/nfs/dbraw/zinc/60/77/90/560607790.db2.gz	RJSZNISATJDDDB-WJDWOHSUSA-N	-1	0	403.398	1.724	50	10		HDCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OS(=O)(=O)c1ccc(C)cc1	ZINC000002954545	560732760	/nfs/dbraw/zinc/73/27/60/560732760.db2.gz	HZFZTPXKKQJXFG-UHFFFAOYSA-N	-1	0	416.411	1.521	50	10		HDCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000009327390	571248171	/nfs/dbraw/zinc/24/81/71/571248171.db2.gz	DOMHMGQJAMETPN-YBEGLDIGSA-N	-1	0	419.393	1.583	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)CC1	ZINC000001163852	535596922	/nfs/dbraw/zinc/59/69/22/535596922.db2.gz	GXGRTZMQRDFBNY-PTNGSMBKSA-N	-1	0	405.451	1.732	50	10		HDCARM
CCOC(=O)C1CCN(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)CC1	ZINC000013522601	558536501	/nfs/dbraw/zinc/53/65/01/558536501.db2.gz	CYGOYGRORWIRAP-QBFSEMIESA-N	-1	0	405.451	1.732	50	10		HDCARM
NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000013590380	558545950	/nfs/dbraw/zinc/54/59/50/558545950.db2.gz	YVIFBUHKRIWXJW-ZROIWOOFSA-N	-1	0	420.834	1.566	50	10		HDCARM
COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)CC2)cc1	ZINC000100767615	559139929	/nfs/dbraw/zinc/13/99/29/559139929.db2.gz	CBUZWBKEEMHEHO-IBGZPJMESA-N	-1	0	409.442	1.848	50	10		HDCARM
Cc1c(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100791359	559267193	/nfs/dbraw/zinc/26/71/93/559267193.db2.gz	QZQXPZOXGBADOG-LFIBNONCSA-N	-1	0	421.413	1.652	50	10		HDCARM
CCc1cc(=O)oc2c1ccc([O-])c2CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000095479440	568632530	/nfs/dbraw/zinc/63/25/30/568632530.db2.gz	LOYXUKIVSCXBOA-OAHLLOKOSA-N	-1	0	406.504	1.366	50	10		HDCARM
COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OS(=O)(=O)c1ccccc1	ZINC000002776210	568932013	/nfs/dbraw/zinc/93/20/13/568932013.db2.gz	OCVQVKWAHDCWFR-UHFFFAOYSA-N	-1	0	402.384	1.212	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	ZINC000016791046	558807284	/nfs/dbraw/zinc/80/72/84/558807284.db2.gz	IQTGUGSAYIMIAN-PQJBRBTKSA-N	-1	0	404.469	1.868	50	10		HDCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1	ZINC000009183505	132336881	/nfs/dbraw/zinc/33/68/81/132336881.db2.gz	LARZQSNNYDSHKJ-ACAGNQJTSA-N	-1	0	411.326	1.999	50	10		HDCARM
COc1ccc([C@H](CC(=O)[O-])NC=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12	ZINC000020623685	558394451	/nfs/dbraw/zinc/39/44/51/558394451.db2.gz	INZVVERFLVZONR-INIZCTEOSA-N	-1	0	411.414	1.888	50	10		HDCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=CN[C@H](CO)Cc3ccccc3)C2=O)cc1	ZINC000020624176	558394772	/nfs/dbraw/zinc/39/47/72/558394772.db2.gz	LMADHOOQJBCEDG-LSPINASFSA-N	-1	0	409.442	1.351	50	10		HDCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000034926556	558787791	/nfs/dbraw/zinc/78/77/91/558787791.db2.gz	FVXAAHQVOGNGJT-UHFFFAOYSA-N	-1	0	407.467	1.666	50	10		HDCARM
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	ZINC000004672034	558886055	/nfs/dbraw/zinc/88/60/55/558886055.db2.gz	BTJIBMSPYCCFTA-HYHOCUEZSA-N	-1	0	418.475	1.992	50	10		HDCARM
CNC(=O)[C@H]1CN(Cc2ccc(Cl)c(I)c2[O-])CCO1	ZINC000170609071	569244915	/nfs/dbraw/zinc/24/49/15/569244915.db2.gz	JLHSQWHJTKCDPO-SNVBAGLBSA-N	-1	0	410.639	1.597	50	10		HDCARM
CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000008485252	571055490	/nfs/dbraw/zinc/05/54/90/571055490.db2.gz	ZZPJJQADGGCUPF-UHFFFAOYSA-N	-1	0	406.464	1.302	50	10		HDCARM
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)c1C	ZINC000004738904	132286346	/nfs/dbraw/zinc/28/63/46/132286346.db2.gz	WDEANYRDWPMRGA-MHWRWJLKSA-N	-1	0	409.467	1.999	50	10		HDCARM
CC(C)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000016737387	558802983	/nfs/dbraw/zinc/80/29/83/558802983.db2.gz	FJHVHKCMQATUON-XFFZJAGNSA-N	-1	0	404.473	1.801	50	10		HDCARM
NC(=O)[N-]S(=O)(=O)c1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1	ZINC000101268499	560790901	/nfs/dbraw/zinc/79/09/01/560790901.db2.gz	KOUMYOOAYVIZGI-UHFFFAOYSA-N	-1	0	409.420	1.100	50	10		HDCARM
O=C([O-])CCN1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S	ZINC000009419934	571256685	/nfs/dbraw/zinc/25/66/85/571256685.db2.gz	FFTGFRZQLLMVHZ-WLRTZDKTSA-N	-1	0	404.425	1.933	50	10		HDCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000004852156	132290583	/nfs/dbraw/zinc/29/05/83/132290583.db2.gz	ITNRZTOIGSEDBJ-GDNBJRDFSA-N	-1	0	400.416	1.221	50	10		HDCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)cc1	ZINC000004837002	536658656	/nfs/dbraw/zinc/65/86/56/536658656.db2.gz	QLGHFIUDSTXBIP-YBEGLDIGSA-N	-1	0	411.439	1.391	50	10		HDCARM
O=C([O-])CN1C(=O)C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O	ZINC000001796556	557288574	/nfs/dbraw/zinc/28/85/74/557288574.db2.gz	PKZFPKQRXLWAAO-KMFOOYFMSA-N	-1	0	410.860	1.753	50	10		HDCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1	ZINC000008438766	557789382	/nfs/dbraw/zinc/78/93/82/557789382.db2.gz	PPOBXYNASSSNJU-UYRXBGFRSA-N	-1	0	422.466	1.895	50	10		HDCARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000013638193	558555105	/nfs/dbraw/zinc/55/51/05/558555105.db2.gz	QGWYRCYMVUUWQS-UHFFFAOYSA-N	-1	0	408.395	1.789	50	10		HDCARM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC	ZINC000013801542	558882485	/nfs/dbraw/zinc/88/24/85/558882485.db2.gz	MXKVLMQFCUJSOK-GDNBJRDFSA-N	-1	0	410.382	1.913	50	10		HDCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCc3cccnc3)C2=O)cc1OC	ZINC000005845361	568825631	/nfs/dbraw/zinc/82/56/31/568825631.db2.gz	PFECLHMPDMURHL-DTQAZKPQSA-N	-1	0	410.430	1.393	50	10		HDCARM
COc1cccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)c1	ZINC000005926238	132308535	/nfs/dbraw/zinc/30/85/35/132308535.db2.gz	AFWVMOWGMMOVHR-GDNBJRDFSA-N	-1	0	411.439	1.845	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S	ZINC000009310329	132338344	/nfs/dbraw/zinc/33/83/44/132338344.db2.gz	MWJHHQLDTTZVHD-MDWZMJQESA-N	-1	0	409.445	1.717	50	10		HDCARM
O=C([O-])CN1C(=O)C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O	ZINC000019879231	527607558	/nfs/dbraw/zinc/60/75/58/527607558.db2.gz	PKZFPKQRXLWAAO-QIMWGGGBSA-N	-1	0	410.860	1.753	50	10		HDCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1	ZINC000004620962	536738277	/nfs/dbraw/zinc/73/82/77/536738277.db2.gz	VYYZPGHLSMRHOV-RGEXLXHISA-N	-1	0	407.426	1.771	50	10		HDCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OS(C)(=O)=O	ZINC000002990048	557437473	/nfs/dbraw/zinc/43/74/73/557437473.db2.gz	VCMIJNPDXZFEIK-IZZDOVSWSA-N	-1	0	403.459	1.319	50	10		HDCARM
Cc1ccc(S(=O)(=O)n2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)cc1	ZINC000002954399	557772968	/nfs/dbraw/zinc/77/29/68/557772968.db2.gz	RSQIWCQKHWWBAT-UHFFFAOYSA-N	-1	0	409.423	1.936	50	10		HDCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OS(=O)(=O)c1ccccc1	ZINC000004502431	558615411	/nfs/dbraw/zinc/61/54/11/558615411.db2.gz	FCKKJKZOLQEFJA-UHFFFAOYSA-N	-1	0	402.384	1.212	50	10		HDCARM
CCc1nnc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)s1	ZINC000021537338	568712546	/nfs/dbraw/zinc/71/25/46/568712546.db2.gz	CPEVIYNGPXQESW-UHFFFAOYSA-N	-1	0	403.449	1.822	50	10		HDCARM
Cc1c(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc2n1CC(N)=O	ZINC000015800163	569009954	/nfs/dbraw/zinc/00/99/54/569009954.db2.gz	MMYPKFUEMTTZOY-SXGWCWSVSA-N	-1	0	406.398	1.690	50	10		HDCARM
COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc(OC)c1O	ZINC000009972485	571293441	/nfs/dbraw/zinc/29/34/41/571293441.db2.gz	QOAQBZMOJFLLFQ-XFFZJAGNSA-N	-1	0	405.475	1.498	50	10		HDCARM
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C(=O)N(C)C1=S	ZINC000009311467	557836436	/nfs/dbraw/zinc/83/64/36/557836436.db2.gz	PJRWCEZPEQUINA-UHFFFAOYSA-N	-1	0	413.249	1.511	50	10		HDCARM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)[N-]C1=S	ZINC000004690509	132283681	/nfs/dbraw/zinc/28/36/81/132283681.db2.gz	OTIHWZPGVJIHKB-LFIBNONCSA-N	-1	0	409.467	1.944	50	10		HDCARM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21	ZINC000169684082	560765589	/nfs/dbraw/zinc/76/55/89/560765589.db2.gz	HSXYIUUNZBZRFB-NLDJYOPPSA-N	-1	0	411.370	1.594	50	10		HDCARM
COc1ccc(N2C(=O)C(=CNCc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1	ZINC000101036685	560766859	/nfs/dbraw/zinc/76/68/59/560766859.db2.gz	DSVIYKHWWOWBKN-XNTDXEJSSA-N	-1	0	411.439	1.845	50	10		HDCARM
NS(=O)(=O)c1ccc(-n2cccc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000000678027	568461187	/nfs/dbraw/zinc/46/11/87/568461187.db2.gz	JTVACSPCSGFZMD-QGOAFFKASA-N	-1	0	408.439	1.586	50	10		HDCARM
NS(=O)(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)c1	ZINC000002993317	568836456	/nfs/dbraw/zinc/83/64/56/568836456.db2.gz	IDJCLODFTGHYAN-NTUHNPAUSA-N	-1	0	424.481	1.880	50	10		HDCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1	ZINC000013566769	569256027	/nfs/dbraw/zinc/25/60/27/569256027.db2.gz	DQUXFDAIJWQFLM-PTNGSMBKSA-N	-1	0	405.414	1.764	50	10		HDCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNC(=S)Nc1ccccc1	ZINC000009111545	571223095	/nfs/dbraw/zinc/22/30/95/571223095.db2.gz	WYRAPMJPTMATTR-XNTDXEJSSA-N	-1	0	413.434	1.779	50	10		HDCARM
COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000009137373	571229879	/nfs/dbraw/zinc/22/98/79/571229879.db2.gz	GSZVYGOMGGLKPT-UHFFFAOYSA-N	-1	0	405.366	1.241	50	10		HDCARM
O=S(=O)([N-]c1ccc(N2CCOCC2)c2nonc21)c1cccc2nonc21	ZINC000017082336	132465018	/nfs/dbraw/zinc/46/50/18/132465018.db2.gz	HOJIZWYEHNXVMX-UHFFFAOYSA-N	-1	0	402.392	1.396	50	10		HDCARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1ccc(N(CC)CC)cc1	ZINC000101766154	560799662	/nfs/dbraw/zinc/79/96/62/560799662.db2.gz	AVRYATFXDZJJMR-INIZCTEOSA-N	-1	0	413.478	1.713	50	10		HDCARM
CNS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000103877213	560844549	/nfs/dbraw/zinc/84/45/49/560844549.db2.gz	PTORMZYRJRKGNT-LFIBNONCSA-N	-1	0	414.443	1.482	50	10		HDCARM
NS(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000101350787	568941299	/nfs/dbraw/zinc/94/12/99/568941299.db2.gz	VESWUYPPQLTGGL-NTEUORMPSA-N	-1	0	420.834	1.566	50	10		HDCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	ZINC000009310531	571247170	/nfs/dbraw/zinc/24/71/70/571247170.db2.gz	COTQQIYOVPVECZ-NTEUORMPSA-N	-1	0	422.484	1.210	50	10		HDCARM