smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC(=O)c1cccc2ccccc21	ZINC000408886894	560650238	/nfs/dbraw/zinc/65/02/38/560650238.db2.gz	JRWKIHRZKHATCG-UNOMPAQXSA-N	-1	1	421.499	4.556	40	10		HJCBMM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(Cl)c(Cl)c1	ZINC000112286156	560777887	/nfs/dbraw/zinc/77/78/87/560777887.db2.gz	RFHUEBFCSZZHRT-UNOMPAQXSA-N	-1	1	418.280	4.645	40	10		HJCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000001219432	568837182	/nfs/dbraw/zinc/83/71/82/568837182.db2.gz	QLDOGEQUKNLSRO-SXGWCWSVSA-N	-1	1	423.918	4.946	40	10		HJCBMM
COc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)[N-]C3=O)cc2c1	ZINC000013212874	558525963	/nfs/dbraw/zinc/52/59/63/558525963.db2.gz	AEMVILHZAQFECT-GZTJUZNOSA-N	-1	1	410.545	4.883	40	10		HJCBMM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cccc(OC(F)(F)F)c3)c2=O)cc1	ZINC000112125934	560776837	/nfs/dbraw/zinc/77/68/37/560776837.db2.gz	LHRWABCHGKNPPD-PDGQHHTCSA-N	-1	1	405.376	4.702	40	10		HJCBMM
CC(=Nc1cccc(OC(F)(F)F)c1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000112290614	560778179	/nfs/dbraw/zinc/77/81/79/560778179.db2.gz	CDRROVRILYWENC-BOPFTXTBSA-N	-1	1	420.347	4.602	40	10		HJCBMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1C(C)C	ZINC000223654668	568555174	/nfs/dbraw/zinc/55/51/74/568555174.db2.gz	GVTZUMBJNUYETQ-UHFFFAOYSA-N	-1	1	409.507	4.850	40	10		HJCBMM
O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1	ZINC000108077256	569361253	/nfs/dbraw/zinc/36/12/53/569361253.db2.gz	YUFSXJYJOOCGKM-NVNXTCNLSA-N	-1	1	424.316	4.656	40	10		HJCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000004551749	558701887	/nfs/dbraw/zinc/70/18/87/558701887.db2.gz	SZWMQQDHKCDUBT-NVNXTCNLSA-N	-1	1	409.891	4.556	40	10		HJCBMM
O=C1/C(=C/c2ccc([O-])c(Br)c2)SC(=S)N1c1cccc(F)c1	ZINC000409340244	560711096	/nfs/dbraw/zinc/71/10/96/560711096.db2.gz	STYXLEPAQGVGIL-AUWJEWJLSA-N	-1	1	410.289	4.700	40	10		HJCBMM
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2C)cc1	ZINC000033637267	569360153	/nfs/dbraw/zinc/36/01/53/569360153.db2.gz	YJYDVQNQFAPHDV-ULJHMMPZSA-N	-1	1	413.521	4.898	40	10		HJCBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C(=O)[N-]C1=S	ZINC000059182261	568702136	/nfs/dbraw/zinc/70/21/36/568702136.db2.gz	LJKYAYWAUSDZKW-CXUHLZMHSA-N	-1	1	401.919	4.543	40	10		HJCBMM
CCCOC(=O)c1cc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)ccc1Cl	ZINC000005027518	560623877	/nfs/dbraw/zinc/62/38/77/560623877.db2.gz	ZWVRQKCTVZQGFV-DHDCSXOGSA-N	-1	1	407.900	4.656	40	10		HJCBMM
O=C1/C(=C\c2ccc([O-])c(Br)c2)C(c2ccccc2)=NN1c1ccccc1	ZINC000409093120	560674445	/nfs/dbraw/zinc/67/44/45/560674445.db2.gz	XTZRHBNLVNZZDS-AQTBWJFISA-N	-1	1	419.278	4.989	40	10		HJCBMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21	ZINC000113834119	560805198	/nfs/dbraw/zinc/80/51/98/560805198.db2.gz	QSVKXXYYMZLFJJ-JJIBRWJFSA-N	-1	1	420.468	4.880	40	10		HJCBMM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3[O-])N21	ZINC000222674378	568523265	/nfs/dbraw/zinc/52/32/65/568523265.db2.gz	GESRDXAFRDZOQC-JCURWCKSSA-N	-1	1	418.360	4.838	40	10		HJCBMM
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Cl)c1[O-]	ZINC000408903901	560651748	/nfs/dbraw/zinc/65/17/48/560651748.db2.gz	BBDFOLPKDHKDQS-MDWZMJQESA-N	-1	1	421.678	4.623	40	10		HJCBMM
O=C([N-]N1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccc(Cl)cc1Cl	ZINC000005214655	557640282	/nfs/dbraw/zinc/64/02/82/557640282.db2.gz	OTUGNSRGZFGOPE-ZSOIEALJSA-N	-1	1	409.319	4.540	40	10		HJCBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C	ZINC000408588843	557494752	/nfs/dbraw/zinc/49/47/52/557494752.db2.gz	ZOGJTBOKIPDLIS-UHFFFAOYSA-N	-1	1	415.898	4.689	40	10		HJCBMM
CCOc1ccc(NCc2cc(Br)cc(Br)c2[O-])cc1	ZINC000409114818	560680132	/nfs/dbraw/zinc/68/01/32/560680132.db2.gz	QKGHPXWHLUUSEZ-UHFFFAOYSA-N	-1	1	401.098	4.928	40	10		HJCBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)[N-]C1=S	ZINC000059182319	568702148	/nfs/dbraw/zinc/70/21/48/568702148.db2.gz	GMBHGIHIZRMKBW-UKTHLTGXSA-N	-1	1	422.337	4.888	40	10		HJCBMM
O=C1[N-]C(=S)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000108132882	569361216	/nfs/dbraw/zinc/36/12/16/569361216.db2.gz	USCBZQKDKYXOKE-NVNXTCNLSA-N	-1	1	424.316	4.656	40	10		HJCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000408879035	560649638	/nfs/dbraw/zinc/64/96/38/560649638.db2.gz	DXVKVJPNKHWRQL-SXGWCWSVSA-N	-1	1	405.928	4.725	40	10		HJCBMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1	ZINC000038737235	569360818	/nfs/dbraw/zinc/36/08/18/569360818.db2.gz	WWJMTRCSKAHYCQ-UHFFFAOYSA-N	-1	1	415.898	4.771	40	10		HJCBMM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cccc(Br)c3)c2=O)cc1	ZINC000112125039	560776692	/nfs/dbraw/zinc/77/66/92/560776692.db2.gz	QVVAFKXPKKMHTD-PDGQHHTCSA-N	-1	1	400.276	4.566	40	10		HJCBMM
CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000059182247	568702098	/nfs/dbraw/zinc/70/20/98/568702098.db2.gz	GHAYZLWOMMRNGB-WOJGMQOQSA-N	-1	1	423.925	4.830	40	10		HJCBMM
CCc1ccc(N2C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000038176808	569360700	/nfs/dbraw/zinc/36/07/00/569360700.db2.gz	OXTDSWVSLUZNPS-NTUHNPAUSA-N	-1	1	421.305	4.933	40	10		HJCBMM
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCc1c(F)cccc1Cl	ZINC000006174554	557692847	/nfs/dbraw/zinc/69/28/47/557692847.db2.gz	WFIPKIBNZUQSJM-LZYBPNLTSA-N	-1	1	409.891	4.556	40	10		HJCBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2ccccc2)c(Br)c1	ZINC000103420944	560733906	/nfs/dbraw/zinc/73/39/06/560733906.db2.gz	CIWPODLRIKWXCY-OQLLNIDSSA-N	-1	1	406.326	4.517	40	10		HJCBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[N-]C1=S	ZINC000059182269	568702217	/nfs/dbraw/zinc/70/22/17/568702217.db2.gz	BKXQLJWYAYLYBR-RIYZIHGNSA-N	-1	1	422.337	4.888	40	10		HJCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccc(Cl)c1	ZINC000019720098	569360093	/nfs/dbraw/zinc/36/00/93/569360093.db2.gz	NTXKPMGZICZZCX-YVLHZVERSA-N	-1	1	405.928	4.807	40	10		HJCBMM
CC(C)(C)c1ccc(OCCOc2ccccc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000016323265	558786441	/nfs/dbraw/zinc/78/64/41/558786441.db2.gz	PBNPFYDPGIMEOB-XMHGGMMESA-N	-1	1	413.564	4.931	40	10		HJCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Br)c(C)c1	ZINC000409001936	560663969	/nfs/dbraw/zinc/66/39/69/560663969.db2.gz	YCDAQHIZZFGCFF-NVNXTCNLSA-N	-1	1	407.358	4.654	40	10		HJCBMM
COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccc2ccccc21	ZINC000017091031	560865775	/nfs/dbraw/zinc/86/57/75/560865775.db2.gz	ALHNBXYSRWRQPO-HAHDFKILSA-N	-1	1	417.440	4.631	40	10		HJCBMM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3[O-])N21	ZINC000222674211	568523254	/nfs/dbraw/zinc/52/32/54/568523254.db2.gz	GESRDXAFRDZOQC-OAUYIBNBSA-N	-1	1	418.360	4.838	40	10		HJCBMM
O=S(=O)([N-]c1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccccc1	ZINC000008870462	571130142	/nfs/dbraw/zinc/13/01/42/571130142.db2.gz	SHFWTDJWXPFTIY-UHFFFAOYSA-N	-1	1	416.549	4.541	40	10		HJCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1cccc2ccccc21	ZINC000408900162	560651240	/nfs/dbraw/zinc/65/12/40/560651240.db2.gz	TUWIYLIZEQPUQI-UNOMPAQXSA-N	-1	1	421.499	4.556	40	10		HJCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc32)C(=O)N1	ZINC000058823258	568699756	/nfs/dbraw/zinc/69/97/56/568699756.db2.gz	WCDXQPOTFOVOHK-UHFFFAOYSA-N	-1	1	406.825	4.662	40	10		HJCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)C(=O)N1	ZINC000058823258	568699759	/nfs/dbraw/zinc/69/97/59/568699759.db2.gz	WCDXQPOTFOVOHK-UHFFFAOYSA-N	-1	1	406.825	4.662	40	10		HJCBMM
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000059136046	568701248	/nfs/dbraw/zinc/70/12/48/568701248.db2.gz	PLPMLCOGYQDHOE-WEVVVXLNSA-N	-1	1	411.241	4.510	40	10		HJCBMM
O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1)c1ccc(Cl)cc1Cl	ZINC000208631430	569361581	/nfs/dbraw/zinc/36/15/81/569361581.db2.gz	HLRQLEPEXNJKEA-AUWJEWJLSA-N	-1	1	410.303	4.701	40	10		HJCBMM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1O	ZINC000083327265	558833724	/nfs/dbraw/zinc/83/37/24/558833724.db2.gz	BTYULHUFASGMHO-WUXMJOGZSA-N	-1	1	411.628	4.859	40	10		HJCBMM
O=C1[N-]C(=S)S/C1=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12	ZINC000409341832	560711476	/nfs/dbraw/zinc/71/14/76/560711476.db2.gz	CIYNRTDQLYTPKB-REZTVBANSA-N	-1	1	402.903	4.971	40	10		HJCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000408532812	557315730	/nfs/dbraw/zinc/31/57/30/557315730.db2.gz	VZEDNUDYOOBJKL-SXGWCWSVSA-N	-1	1	423.918	4.946	40	10		HJCBMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2)ccc2ccccc21	ZINC000409398523	560720650	/nfs/dbraw/zinc/72/06/50/560720650.db2.gz	BSNXOHUHBDFWST-ULJHMMPZSA-N	-1	1	420.468	4.880	40	10		HJCBMM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)cc(Br)c3[O-])N21	ZINC000260759342	568737658	/nfs/dbraw/zinc/73/76/58/568737658.db2.gz	GESRDXAFRDZOQC-DQYPLSBCSA-N	-1	1	418.360	4.838	40	10		HJCBMM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)c1	ZINC000083308386	558833364	/nfs/dbraw/zinc/83/33/64/558833364.db2.gz	UXVDTNSMJKQVNX-VGOFMYFVSA-N	-1	1	405.237	4.823	40	10		HJCBMM
O=C(Oc1c(Cl)cc(/C=C2\SC(=S)[N-]C2=O)cc1Cl)c1ccccc1	ZINC000408881857	560649996	/nfs/dbraw/zinc/64/99/96/560649996.db2.gz	OTSNTDREKRHWCS-JYRVWZFOSA-N	-1	1	410.303	4.701	40	10		HJCBMM
Cc1ccc(Sc2oc(C=C3SC(=S)[N-]C3=O)cc2Br)cc1	ZINC000408913963	560653698	/nfs/dbraw/zinc/65/36/98/560653698.db2.gz	WKFITEOLAZHQPZ-KPKJPENVSA-N	-1	1	412.355	4.991	40	10		HJCBMM
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000409331877	560710387	/nfs/dbraw/zinc/71/03/87/560710387.db2.gz	PEGGGQLMLCSKOD-ZZXKWVIFSA-N	-1	1	421.240	4.681	40	10		HJCBMM
O=C1[N-]C(=S)S/C1=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc21	ZINC000409339757	560710980	/nfs/dbraw/zinc/71/09/80/560710980.db2.gz	XVOWQDRTLWOVJI-AUWJEWJLSA-N	-1	1	417.874	4.703	40	10		HJCBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(C)cc1	ZINC000409399652	560720746	/nfs/dbraw/zinc/72/07/46/560720746.db2.gz	LJLNFRFSJFIDOV-JLPGSUDCSA-N	-1	1	421.500	4.768	40	10		HJCBMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccccc3)cc2)ccc1F	ZINC000226862969	568824954	/nfs/dbraw/zinc/82/49/54/568824954.db2.gz	NXZFEPFGESYFGI-QZQOTICOSA-N	-1	1	400.391	4.950	40	10		HJCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1C	ZINC000107632878	569360892	/nfs/dbraw/zinc/36/08/92/569360892.db2.gz	NTRHLLNGORXDHV-NDENLUEZSA-N	-1	1	405.885	4.517	40	10		HJCBMM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3[O-])N21	ZINC000222674263	568523230	/nfs/dbraw/zinc/52/32/30/568523230.db2.gz	GESRDXAFRDZOQC-AFAVFJNCSA-N	-1	1	418.360	4.838	40	10		HJCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000408532784	557315436	/nfs/dbraw/zinc/31/54/36/557315436.db2.gz	VWGJJEPXBJZYPB-NVNXTCNLSA-N	-1	1	409.891	4.556	40	10		HJCBMM
O=C1[N-]C(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	ZINC000408821180	560645460	/nfs/dbraw/zinc/64/54/60/560645460.db2.gz	DGJZHTAXYXUJAS-BASWHVEKSA-N	-1	1	401.252	4.650	40	10		HJCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccccc1C	ZINC000408924312	560654888	/nfs/dbraw/zinc/65/48/88/560654888.db2.gz	MRTUGUZUBFMRLX-SXGWCWSVSA-N	-1	1	405.928	4.725	40	10		HJCBMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1	ZINC000033742251	569360545	/nfs/dbraw/zinc/36/05/45/569360545.db2.gz	AIBQWUGMCWZEPN-RGEXLXHISA-N	-1	1	406.894	4.953	40	10		HJCBMM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)cc(Br)c3[O-])N21	ZINC000260759345	568737686	/nfs/dbraw/zinc/73/76/86/568737686.db2.gz	GESRDXAFRDZOQC-JLZZUVOBSA-N	-1	1	418.360	4.838	40	10		HJCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc21	ZINC000033766741	569360443	/nfs/dbraw/zinc/36/04/43/569360443.db2.gz	DWISVLNGZOPCCH-KQWNVCNZSA-N	-1	1	407.473	4.709	40	10		HJCBMM
COc1cc(-n2[n-]c(C)c(C=Nc3ccccc3Br)c2=O)ccc1Cl	ZINC000408539774	557359711	/nfs/dbraw/zinc/35/97/11/557359711.db2.gz	YVERETAVCURWBQ-RAXLEYEMSA-N	-1	1	420.694	4.830	40	10		HJCBMM
CCN1C(=O)C(=Cc2ccc(-c3ccc(Br)c(C)c3)o2)C(=O)[N-]C1=S	ZINC000059087101	568700342	/nfs/dbraw/zinc/70/03/42/568700342.db2.gz	XLKBDZSLMHRKKH-UKTHLTGXSA-N	-1	1	419.300	4.504	40	10		HJCBMM
O=C1/C(=C\c2ccc([O-])c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1	ZINC000408963963	560658787	/nfs/dbraw/zinc/65/87/87/560658787.db2.gz	KKCQDSGVDZQQEM-WQLSENKSSA-N	-1	1	411.177	4.503	40	10		HJCBMM
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCc1c(F)cccc1Cl	ZINC000108244126	560752355	/nfs/dbraw/zinc/75/23/55/560752355.db2.gz	WFIPKIBNZUQSJM-PXNMLYILSA-N	-1	1	409.891	4.556	40	10		HJCBMM
O=C([N-]N1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(Cl)cc1Cl	ZINC000002258339	569324950	/nfs/dbraw/zinc/32/49/50/569324950.db2.gz	OXELQTBYJNOMOP-KPKJPENVSA-N	-1	1	415.348	4.601	40	10		HJCBMM
CCCCCCOc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O	ZINC000408539315	557359750	/nfs/dbraw/zinc/35/97/50/557359750.db2.gz	GTFGTEACHUALOY-GXDHUFHOSA-N	-1	1	400.363	4.897	40	10		HJCBMM
O=C(CSc1ccc(C=C2SC(=S)[N-]C2=O)cc1)Nc1ccc(Cl)cc1	ZINC000015057119	558704530	/nfs/dbraw/zinc/70/45/30/558704530.db2.gz	IDYSHLIPGZCZAI-DHDCSXOGSA-N	-1	1	420.968	4.560	40	10		HJCBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc(C)c1	ZINC000409398862	560720785	/nfs/dbraw/zinc/72/07/85/560720785.db2.gz	FEKLLOQYFGFYEB-JLPGSUDCSA-N	-1	1	421.500	4.768	40	10		HJCBMM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3[O-])N21	ZINC000222674321	568523277	/nfs/dbraw/zinc/52/32/77/568523277.db2.gz	GESRDXAFRDZOQC-CSMYWGQOSA-N	-1	1	418.360	4.838	40	10		HJCBMM
CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)c3ccccc3)ccc2O1	ZINC000223668290	568555581	/nfs/dbraw/zinc/55/55/81/568555581.db2.gz	ADSODDRPVXTTDE-UHFFFAOYSA-N	-1	1	421.518	4.822	40	10		HJCBMM
CCOc1ccc2nc(Sc3ccc(C=C4SC(=S)[N-]C4=O)o3)sc2c1	ZINC000408989085	560662534	/nfs/dbraw/zinc/66/25/34/560662534.db2.gz	GXBHZDWHYWJJDP-JYRVWZFOSA-N	-1	1	420.562	4.928	40	10		HJCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1C	ZINC000034700861	569360593	/nfs/dbraw/zinc/36/05/93/569360593.db2.gz	AVHYYHOKSTZWCX-UYRXBGFRSA-N	-1	1	405.885	4.517	40	10		HJCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1	ZINC000106692756	560745462	/nfs/dbraw/zinc/74/54/62/560745462.db2.gz	ZVZWZVOITUOWIG-NVNXTCNLSA-N	-1	1	405.317	4.797	40	10		HJCBMM