smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000100641697	556639120	/nfs/dbraw/zinc/63/91/20/556639120.db2.gz	IJALCABBFBHNFQ-UIMCMNAESA-N	-1	1	432.436	2.633	50	10		IFCAMM
Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000000661356	557114374	/nfs/dbraw/zinc/11/43/74/557114374.db2.gz	RWTVHXHVCCNYHZ-UHFFFAOYSA-N	-1	1	429.885	2.580	50	10		IFCAMM
CCCCC(=O)c1c(C)c(C(=O)OC(C)C)sc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000040476943	557752650	/nfs/dbraw/zinc/75/26/50/557752650.db2.gz	NIYTZFUOOYYHMZ-UHFFFAOYSA-N	-1	1	437.543	2.821	50	10		IFCAMM
COc1ccc(OCCn2c(C)c(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)cc1	ZINC000008450626	568793160	/nfs/dbraw/zinc/79/31/60/568793160.db2.gz	LNRSAPAPWKYCQN-UHFFFAOYSA-N	-1	1	435.505	2.952	50	10		IFCAMM
COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000027534272	569267749	/nfs/dbraw/zinc/26/77/49/569267749.db2.gz	UHFDGGPGNAZCMW-PDGQHHTCSA-N	-1	1	432.388	2.893	50	10		IFCAMM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000009462731	132318207	/nfs/dbraw/zinc/31/82/07/132318207.db2.gz	UODAHGZUSLOUFG-CYUIRQCWSA-N	-1	1	440.477	2.769	50	10		IFCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1	ZINC000009259574	556267772	/nfs/dbraw/zinc/26/77/72/556267772.db2.gz	KIFBFMQCRFFKLE-UHFFFAOYSA-N	-1	1	446.213	2.686	50	10		IFCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1	ZINC000009259574	556267776	/nfs/dbraw/zinc/26/77/76/556267776.db2.gz	KIFBFMQCRFFKLE-UHFFFAOYSA-N	-1	1	446.213	2.686	50	10		IFCAMM
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000004483638	556335252	/nfs/dbraw/zinc/33/52/52/556335252.db2.gz	ARPPISDNDPSZAB-UHFFFAOYSA-N	-1	1	444.827	2.765	50	10		IFCAMM
CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000015011982	556483538	/nfs/dbraw/zinc/48/35/38/556483538.db2.gz	CIEWDTIQBLCNNJ-UHFFFAOYSA-N	-1	1	434.109	2.525	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1[O-]	ZINC000100925619	557202422	/nfs/dbraw/zinc/20/24/22/557202422.db2.gz	RVLAAWXBUNQOMC-PDGQHHTCSA-N	-1	1	430.464	2.963	50	10		IFCAMM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(Br)cc1Cl	ZINC000101060600	557218931	/nfs/dbraw/zinc/21/89/31/557218931.db2.gz	FWAIHMOSLLUMFA-LAPSENCUSA-N	-1	1	432.727	2.804	50	10		IFCAMM
CCN(CC)c1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2)cc1	ZINC000101762363	557297191	/nfs/dbraw/zinc/29/71/91/557297191.db2.gz	YEBBWPOIYOVQSU-LJQANCHMSA-N	-1	1	433.512	2.575	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000011667019	557303265	/nfs/dbraw/zinc/30/32/65/557303265.db2.gz	NBIPXBLYRCTXMY-UHFFFAOYSA-N	-1	1	442.456	2.560	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000011667019	557303270	/nfs/dbraw/zinc/30/32/70/557303270.db2.gz	NBIPXBLYRCTXMY-UHFFFAOYSA-N	-1	1	442.456	2.560	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000011667019	557303273	/nfs/dbraw/zinc/30/32/73/557303273.db2.gz	NBIPXBLYRCTXMY-UHFFFAOYSA-N	-1	1	442.456	2.560	50	10		IFCAMM
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)NCCc1ccc(Cl)cc1	ZINC000015732630	568815604	/nfs/dbraw/zinc/81/56/04/568815604.db2.gz	SYVLTSGJIFORHI-UHFFFAOYSA-N	-1	1	429.889	2.782	50	10		IFCAMM
COc1ccc(CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1OC	ZINC000009539501	569297210	/nfs/dbraw/zinc/29/72/10/569297210.db2.gz	KVSXHDZJZUVSDJ-DHDCSXOGSA-N	-1	1	440.477	2.713	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	ZINC000230142829	569439519	/nfs/dbraw/zinc/43/95/19/569439519.db2.gz	AMPCFYNILIXBLT-PDGQHHTCSA-N	-1	1	430.464	2.963	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2C)c1[O-]	ZINC000230142829	569439520	/nfs/dbraw/zinc/43/95/20/569439520.db2.gz	AMPCFYNILIXBLT-PDGQHHTCSA-N	-1	1	430.464	2.963	50	10		IFCAMM
CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@@H](C(C)(C)C)CC2	ZINC000040476934	569506605	/nfs/dbraw/zinc/50/66/05/569506605.db2.gz	BCEPQSRXHIDFLG-JTQLQIEISA-N	-1	1	435.571	2.903	50	10		IFCAMM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)NC2=S)c1	ZINC000009324522	132313829	/nfs/dbraw/zinc/31/38/29/132313829.db2.gz	QOSLXDNKRWCDRP-XGICHPGQSA-N	-1	1	430.825	2.598	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccc2ccccc2c1	ZINC000002950316	556151590	/nfs/dbraw/zinc/15/15/90/556151590.db2.gz	QAWZRURNJQEZRK-UHFFFAOYSA-N	-1	1	438.486	2.522	50	10		IFCAMM
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000002980716	556153862	/nfs/dbraw/zinc/15/38/62/556153862.db2.gz	IWUSNCLDMKJZIS-RIYZIHGNSA-N	-1	1	446.868	2.643	50	10		IFCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000018271893	556688801	/nfs/dbraw/zinc/68/88/01/556688801.db2.gz	FSWYWBTYCIONRZ-CCAPLTMGSA-N	-1	1	432.392	2.804	50	10		IFCAMM
COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)[N-]C1=S	ZINC000098086695	557122381	/nfs/dbraw/zinc/12/23/81/557122381.db2.gz	XUYTZGCMQVIQKM-GXDHUFHOSA-N	-1	1	435.299	2.982	50	10		IFCAMM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(S(N)(=O)=O)cc1	ZINC000101077959	557226635	/nfs/dbraw/zinc/22/66/35/557226635.db2.gz	WETZHALPKONRSR-MHWRWJLKSA-N	-1	1	435.303	2.815	50	10		IFCAMM
CCN(CC)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3[O-])=NN2)cc1	ZINC000101762806	557297533	/nfs/dbraw/zinc/29/75/33/557297533.db2.gz	NPNFSJSSSKIUDI-KRWDZBQOSA-N	-1	1	449.511	2.525	50	10		IFCAMM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000000837885	557338197	/nfs/dbraw/zinc/33/81/97/557338197.db2.gz	VQZXPZCIKVNYRF-BOPFTXTBSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000000837885	557338200	/nfs/dbraw/zinc/33/82/00/557338200.db2.gz	VQZXPZCIKVNYRF-BOPFTXTBSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CCN(CC)C(=O)Cn1cc(C=C2C(=O)[N-]C(=S)N(CCOC)C2=O)c2ccccc21	ZINC000005946927	568739115	/nfs/dbraw/zinc/73/91/15/568739115.db2.gz	OPWLBBNHZKSPRM-SFQUDFHCSA-N	-1	1	442.541	2.623	50	10		IFCAMM
CN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2C1=O	ZINC000065241500	569121098	/nfs/dbraw/zinc/12/10/98/569121098.db2.gz	UXHUCHKYPIYHML-UHFFFAOYSA-N	-1	1	425.422	2.993	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CCN1C(=O)SC(=Cc2cccs2)C1=O	ZINC000009348462	569524506	/nfs/dbraw/zinc/52/45/06/569524506.db2.gz	SXROXBPEELVKIN-LICLKQGHSA-N	-1	1	446.506	2.927	50	10		IFCAMM
CCCCCCN1C(=O)C(=CNc2cc(OC)c(OC)cc2C(=O)OC)C(=O)[N-]C1=S	ZINC000009359901	569525800	/nfs/dbraw/zinc/52/58/00/569525800.db2.gz	ALZRLRDONLJXHQ-WYMLVPIESA-N	-1	1	449.529	2.610	50	10		IFCAMM
CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1	ZINC000008872532	132296907	/nfs/dbraw/zinc/29/69/07/132296907.db2.gz	ATJHOEXCCSPXCB-ZJYZBMPFSA-N	-1	1	448.504	2.798	50	10		IFCAMM
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002815948	555828791	/nfs/dbraw/zinc/82/87/91/555828791.db2.gz	VYFPHMFAAXSXCZ-KWJWQAOWSA-N	-1	1	444.440	2.518	50	10		IFCAMM
Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c3ccccc32)c1	ZINC000009311653	556279958	/nfs/dbraw/zinc/27/99/58/556279958.db2.gz	HLPVXQWNWLBSGS-WOJGMQOQSA-N	-1	1	432.505	2.845	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CCN1C(=O)C(=Cc2ccco2)SC1=S	ZINC000028296909	556451753	/nfs/dbraw/zinc/45/17/53/556451753.db2.gz	PCAFRFGOBYMIHB-LICLKQGHSA-N	-1	1	446.506	2.623	50	10		IFCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)ccc2[O-])[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21	ZINC000015276293	556514149	/nfs/dbraw/zinc/51/41/49/556514149.db2.gz	NOXFJLUTTKVRKS-ROYATCLZSA-N	-1	1	435.263	2.992	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)SC(=Cc2cccc(F)c2)C1=O	ZINC000013572659	556523237	/nfs/dbraw/zinc/52/32/37/556523237.db2.gz	FIWYXFINISSTQJ-LSCVHKIXSA-N	-1	1	444.440	2.615	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O	ZINC000097402234	557217915	/nfs/dbraw/zinc/21/79/15/557217915.db2.gz	WIILUOZMTZFJAE-UNOMPAQXSA-N	-1	1	430.464	2.963	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1[O-]	ZINC000097402234	557217920	/nfs/dbraw/zinc/21/79/20/557217920.db2.gz	WIILUOZMTZFJAE-UNOMPAQXSA-N	-1	1	430.464	2.963	50	10		IFCAMM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(Br)cc1Cl	ZINC000101060601	557218909	/nfs/dbraw/zinc/21/89/09/557218909.db2.gz	FWAIHMOSLLUMFA-WBOGTDJTSA-N	-1	1	432.727	2.804	50	10		IFCAMM
CCN(CC)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccccc4OC)c3[O-])=NN2)cc1	ZINC000101762811	557297624	/nfs/dbraw/zinc/29/76/24/557297624.db2.gz	NPNFSJSSSKIUDI-QGZVFWFLSA-N	-1	1	449.511	2.525	50	10		IFCAMM
COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000002977950	569433647	/nfs/dbraw/zinc/43/36/47/569433647.db2.gz	AVKAMQQAQPABIL-UHFFFAOYSA-N	-1	1	446.843	2.564	50	10		IFCAMM
COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000002977950	569433648	/nfs/dbraw/zinc/43/36/48/569433648.db2.gz	AVKAMQQAQPABIL-UHFFFAOYSA-N	-1	1	446.843	2.564	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	ZINC000009246223	569515447	/nfs/dbraw/zinc/51/54/47/569515447.db2.gz	SJSUJFOIYKFDJG-UHFFFAOYSA-N	-1	1	430.844	2.864	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	ZINC000009246223	569515448	/nfs/dbraw/zinc/51/54/48/569515448.db2.gz	SJSUJFOIYKFDJG-UHFFFAOYSA-N	-1	1	430.844	2.864	50	10		IFCAMM
COc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000009434694	569534763	/nfs/dbraw/zinc/53/47/63/569534763.db2.gz	LODNALOKXZIXBN-UHFFFAOYSA-N	-1	1	446.843	2.564	50	10		IFCAMM
COc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000009434694	569534764	/nfs/dbraw/zinc/53/47/64/569534764.db2.gz	LODNALOKXZIXBN-UHFFFAOYSA-N	-1	1	446.843	2.564	50	10		IFCAMM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000002262648	132250707	/nfs/dbraw/zinc/25/07/07/132250707.db2.gz	UODAHGZUSLOUFG-RNEAKCBISA-N	-1	1	440.477	2.769	50	10		IFCAMM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000002262646	132250714	/nfs/dbraw/zinc/25/07/14/132250714.db2.gz	UODAHGZUSLOUFG-HTMJNSLASA-N	-1	1	440.477	2.769	50	10		IFCAMM
C[C@@H](NC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)c1nc2ccccc2n1C	ZINC000020987144	525124448	/nfs/dbraw/zinc/12/44/48/525124448.db2.gz	UHSPUTMETFYFMP-GFCCVEGCSA-N	-1	1	449.496	2.534	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc(F)c1	ZINC000001175553	557120096	/nfs/dbraw/zinc/12/00/96/557120096.db2.gz	BSTINMYZLVVHCP-UHFFFAOYSA-N	-1	1	449.232	2.925	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc(F)c1	ZINC000001175553	557120098	/nfs/dbraw/zinc/12/00/98/557120098.db2.gz	BSTINMYZLVVHCP-UHFFFAOYSA-N	-1	1	449.232	2.925	50	10		IFCAMM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)NC1=S	ZINC000002979231	557134374	/nfs/dbraw/zinc/13/43/74/557134374.db2.gz	ZFUMYKYFLGDBGR-MDWZMJQESA-N	-1	1	430.869	2.943	50	10		IFCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c([O-])n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O	ZINC000103861804	557442287	/nfs/dbraw/zinc/44/22/87/557442287.db2.gz	QLLWECDHBOCTHF-MHWRWJLKSA-N	-1	1	440.818	2.830	50	10		IFCAMM
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)cc1	ZINC000021537463	521497413	/nfs/dbraw/zinc/49/74/13/521497413.db2.gz	BSEIHZNUAAAOCB-UHFFFAOYSA-N	-1	1	439.453	2.585	50	10		IFCAMM
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002142092	535658667	/nfs/dbraw/zinc/65/86/67/535658667.db2.gz	KSUWOAIIHRDNQH-RERGGYADSA-N	-1	1	440.477	2.769	50	10		IFCAMM
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002142096	535659790	/nfs/dbraw/zinc/65/97/90/535659790.db2.gz	KSUWOAIIHRDNQH-YYTPVVGHSA-N	-1	1	440.477	2.769	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1	ZINC000001196295	555676708	/nfs/dbraw/zinc/67/67/08/555676708.db2.gz	MLKJDQHQZNYSJX-UHFFFAOYSA-N	-1	1	431.242	2.786	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1	ZINC000001196295	555676710	/nfs/dbraw/zinc/67/67/10/555676710.db2.gz	MLKJDQHQZNYSJX-UHFFFAOYSA-N	-1	1	431.242	2.786	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1C	ZINC000002920072	556150395	/nfs/dbraw/zinc/15/03/95/556150395.db2.gz	YQHUQEWQYJOPAR-UHFFFAOYSA-N	-1	1	430.844	2.864	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1C	ZINC000002920072	556150399	/nfs/dbraw/zinc/15/03/99/556150399.db2.gz	YQHUQEWQYJOPAR-UHFFFAOYSA-N	-1	1	430.844	2.864	50	10		IFCAMM
CCCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OCC)c2)C1=O	ZINC000009260113	556268073	/nfs/dbraw/zinc/26/80/73/556268073.db2.gz	CKJPEKSUTABFFZ-GDNBJRDFSA-N	-1	1	442.424	2.827	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)SC(=Cc2ccccc2F)C1=O	ZINC000013572340	556522912	/nfs/dbraw/zinc/52/29/12/556522912.db2.gz	CPCWEEHVEXIRSC-NVMNQCDNSA-N	-1	1	444.440	2.615	50	10		IFCAMM
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(C=C3SC(=S)[N-]C3=O)c2)cc1	ZINC000015836704	556555590	/nfs/dbraw/zinc/55/55/90/556555590.db2.gz	UWLACKFHMOKFJL-YBEGLDIGSA-N	-1	1	434.520	2.902	50	10		IFCAMM
CC(C)S(=O)(=O)N1CCN(Cc2c3c(C(=O)c4ccco4)coc3ccc2[O-])CC1	ZINC000252484243	556690207	/nfs/dbraw/zinc/69/02/07/556690207.db2.gz	FSRFLEJSXLGHOY-UHFFFAOYSA-N	-1	1	432.498	2.818	50	10		IFCAMM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(Br)cc1Cl	ZINC000013656028	556707438	/nfs/dbraw/zinc/70/74/38/556707438.db2.gz	FWAIHMOSLLUMFA-HBZGRHIISA-N	-1	1	432.727	2.804	50	10		IFCAMM
CCN(CC)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(Cc4ccccc4)c3=O)=NN2)cc1	ZINC000101762359	557297090	/nfs/dbraw/zinc/29/70/90/557297090.db2.gz	YEBBWPOIYOVQSU-IBGZPJMESA-N	-1	1	433.512	2.575	50	10		IFCAMM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@H]1c1ccc(N(C)C)cc1	ZINC000101764010	557298025	/nfs/dbraw/zinc/29/80/25/557298025.db2.gz	OFBOLUCFLDMDPB-IBGZPJMESA-N	-1	1	439.516	2.511	50	10		IFCAMM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000103251812	557430313	/nfs/dbraw/zinc/43/03/13/557430313.db2.gz	VQZXPZCIKVNYRF-GZTJUZNOSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000103251812	557430316	/nfs/dbraw/zinc/43/03/16/557430316.db2.gz	VQZXPZCIKVNYRF-GZTJUZNOSA-N	-1	1	436.855	2.999	50	10		IFCAMM
COCC(=O)N1CCN(Cc2c([O-])c(C(=O)NCc3ccccc3)cc3ccccc32)CC1	ZINC000095361063	569362273	/nfs/dbraw/zinc/36/22/73/569362273.db2.gz	MMFXXLRZHHDCHA-UHFFFAOYSA-N	-1	1	447.535	2.766	50	10		IFCAMM
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(=O)[N-]C1=S	ZINC000009111501	569502352	/nfs/dbraw/zinc/50/23/52/569502352.db2.gz	KGKTUQWKCVEOLJ-QGOAFFKASA-N	-1	1	438.553	2.691	50	10		IFCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000009310737	569521795	/nfs/dbraw/zinc/52/17/95/569521795.db2.gz	LSAVGQQRTZCQDS-UHFFFAOYSA-N	-1	1	440.521	2.731	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)C(=Cc2cccs2)SC1=S	ZINC000009429984	569533834	/nfs/dbraw/zinc/53/38/34/569533834.db2.gz	PRGBCEQQGOVCIF-PXNMLYILSA-N	-1	1	448.547	2.702	50	10		IFCAMM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000009311419	132313333	/nfs/dbraw/zinc/31/33/33/132313333.db2.gz	IJALCABBFBHNFQ-UZNZLNSGSA-N	-1	1	432.436	2.633	50	10		IFCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000017161137	556670506	/nfs/dbraw/zinc/67/05/06/556670506.db2.gz	MQGLBRQHGMNRKF-YBEGLDIGSA-N	-1	1	435.461	2.588	50	10		IFCAMM
CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000102570518	557354815	/nfs/dbraw/zinc/35/48/15/557354815.db2.gz	HNPRTACGJSEJAN-KPKJPENVSA-N	-1	1	444.205	2.937	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	ZINC000096562224	569401044	/nfs/dbraw/zinc/40/10/44/569401044.db2.gz	AMPCFYNILIXBLT-LDADJPATSA-N	-1	1	430.464	2.963	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2C)c1[O-]	ZINC000096562224	569401045	/nfs/dbraw/zinc/40/10/45/569401045.db2.gz	AMPCFYNILIXBLT-LDADJPATSA-N	-1	1	430.464	2.963	50	10		IFCAMM
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000012381046	521945792	/nfs/dbraw/zinc/94/57/92/521945792.db2.gz	VYFPHMFAAXSXCZ-NASPGAHYSA-N	-1	1	444.440	2.518	50	10		IFCAMM
CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(CC)C3=O)c2C)cc1	ZINC000001126814	555641312	/nfs/dbraw/zinc/64/13/12/555641312.db2.gz	ZUWBEAJKNCUWOI-LDADJPATSA-N	-1	1	425.510	2.917	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000008456889	556186276	/nfs/dbraw/zinc/18/62/76/556186276.db2.gz	XLOIOOQMHWXDSJ-BOPFTXTBSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)SC(=Cc2cccs2)C1=O	ZINC000013573022	556523448	/nfs/dbraw/zinc/52/34/48/556523448.db2.gz	NAOVRYAORFXMNO-PXNMLYILSA-N	-1	1	432.479	2.537	50	10		IFCAMM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000015723295	556545747	/nfs/dbraw/zinc/54/57/47/556545747.db2.gz	IJALCABBFBHNFQ-DYGKOUCMSA-N	-1	1	432.436	2.838	50	10		IFCAMM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000018271935	556688878	/nfs/dbraw/zinc/68/88/78/556688878.db2.gz	IJALCABBFBHNFQ-ZJYZBMPFSA-N	-1	1	432.436	2.633	50	10		IFCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC(=O)c1cccc2ccccc21	ZINC000001167966	557119593	/nfs/dbraw/zinc/11/95/93/557119593.db2.gz	MMACJNANFSPPIW-UHFFFAOYSA-N	-1	1	432.457	2.982	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000002950134	557135574	/nfs/dbraw/zinc/13/55/74/557135574.db2.gz	NNNHBZBDUCOIGW-UHFFFAOYSA-N	-1	1	438.486	2.522	50	10		IFCAMM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1[O-]	ZINC000100925618	557202380	/nfs/dbraw/zinc/20/23/80/557202380.db2.gz	NZTOEABWPWBTBO-BOPFTXTBSA-N	-1	1	436.855	2.999	50	10		IFCAMM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000101141466	557262087	/nfs/dbraw/zinc/26/20/87/557262087.db2.gz	RMIWZYOXWZLPNP-QNGOZBTKSA-N	-1	1	440.525	2.734	50	10		IFCAMM
COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288639	568882057	/nfs/dbraw/zinc/88/20/57/568882057.db2.gz	TYQKTPUVQFUZNC-HMMYKYKNSA-N	-1	1	449.532	2.993	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1	ZINC000009434566	569534785	/nfs/dbraw/zinc/53/47/85/569534785.db2.gz	WGLIIGFNTHSRRE-UHFFFAOYSA-N	-1	1	449.232	2.925	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1	ZINC000009434566	569534786	/nfs/dbraw/zinc/53/47/86/569534786.db2.gz	WGLIIGFNTHSRRE-UHFFFAOYSA-N	-1	1	449.232	2.925	50	10		IFCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000008769502	132293763	/nfs/dbraw/zinc/29/37/63/132293763.db2.gz	UEGOUZZRDYCFPF-OQLLNIDSSA-N	-1	1	426.450	2.710	50	10		IFCAMM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000008952171	132298698	/nfs/dbraw/zinc/29/86/98/132298698.db2.gz	UODAHGZUSLOUFG-FDIDITGRSA-N	-1	1	440.477	2.769	50	10		IFCAMM
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000009299716	132313033	/nfs/dbraw/zinc/31/30/33/132313033.db2.gz	FYOQNPYVKUJICC-KPKJPENVSA-N	-1	1	448.254	2.894	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000000996257	555598728	/nfs/dbraw/zinc/59/87/28/555598728.db2.gz	NDZRHNWGSPSTNC-PDGQHHTCSA-N	-1	1	430.464	2.963	50	10		IFCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1c(C)cccc1C	ZINC000002180411	555753324	/nfs/dbraw/zinc/75/33/24/555753324.db2.gz	DXVCRRCEYWHGMU-UHFFFAOYSA-N	-1	1	426.494	2.684	50	10		IFCAMM
CCc1cccc2c(C=C3C(=O)[N-]C(=S)N(Cc4ccco4)C3=O)cn(CC(N)=O)c21	ZINC000034713476	555826960	/nfs/dbraw/zinc/82/69/60/555826960.db2.gz	DWRTWUKCQWKRSX-MFOYZWKCSA-N	-1	1	436.493	2.949	50	10		IFCAMM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)c1	ZINC000409047448	556629282	/nfs/dbraw/zinc/62/92/82/556629282.db2.gz	MQCFAJNZJWZHBA-UHFFFAOYSA-N	-1	1	429.885	2.580	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	ZINC000040476910	557752638	/nfs/dbraw/zinc/75/26/38/557752638.db2.gz	CGTNIEHYRIHEDY-UHFFFAOYSA-N	-1	1	448.485	2.896	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	ZINC000040476910	557752640	/nfs/dbraw/zinc/75/26/40/557752640.db2.gz	CGTNIEHYRIHEDY-UHFFFAOYSA-N	-1	1	448.485	2.896	50	10		IFCAMM
O=C1[N-]C(=S)NC(=O)C1=CNc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	ZINC000040476910	557752642	/nfs/dbraw/zinc/75/26/42/557752642.db2.gz	CGTNIEHYRIHEDY-UHFFFAOYSA-N	-1	1	448.485	2.896	50	10		IFCAMM
CCOc1cccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)NC2=S)c1	ZINC000100194465	568791447	/nfs/dbraw/zinc/79/14/47/568791447.db2.gz	GKPRHIDGZHMMLN-DYGKOUCMSA-N	-1	1	448.504	2.798	50	10		IFCAMM
COc1cc(CNC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)cc(OC)c1	ZINC000001884280	568917490	/nfs/dbraw/zinc/91/74/90/568917490.db2.gz	UBNYBAMYCZJHMT-RGEXLXHISA-N	-1	1	429.542	2.811	50	10		IFCAMM
O=C(C[C@H](c1ccccc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000096221494	569386916	/nfs/dbraw/zinc/38/69/16/569386916.db2.gz	HTYGTRUKSMNXEQ-GOSISDBHSA-N	-1	1	445.475	2.692	50	10		IFCAMM
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000009260365	132311576	/nfs/dbraw/zinc/31/15/76/132311576.db2.gz	SHQGFARXYGJOBG-ZSOIEALJSA-N	-1	1	430.869	2.943	50	10		IFCAMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000012363200	521962912	/nfs/dbraw/zinc/96/29/12/521962912.db2.gz	VYFPHMFAAXSXCZ-GJSJWPQCSA-N	-1	1	444.440	2.518	50	10		IFCAMM
COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000009259637	556267969	/nfs/dbraw/zinc/26/79/69/556267969.db2.gz	FDJRQHNPWYYNLE-QPEQYQDCSA-N	-1	1	436.848	2.607	50	10		IFCAMM
CN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000009311639	556279991	/nfs/dbraw/zinc/27/99/91/556279991.db2.gz	KVJUYALAGOOLPL-YVLHZVERSA-N	-1	1	436.468	2.676	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)C(=Cc2ccccc2)SC1=S	ZINC000013573086	556523435	/nfs/dbraw/zinc/52/34/35/556523435.db2.gz	PAZYIKIZGQXBRD-NVMNQCDNSA-N	-1	1	442.518	2.640	50	10		IFCAMM
CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2C(=O)[O-])o1	ZINC000101058997	557282028	/nfs/dbraw/zinc/28/20/28/557282028.db2.gz	XRKNWHCEIXRIPH-KPKJPENVSA-N	-1	1	443.217	2.727	50	10		IFCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000033409719	557338643	/nfs/dbraw/zinc/33/86/43/557338643.db2.gz	YARQUUXGMIRYBW-ZSOIEALJSA-N	-1	1	430.413	2.969	50	10		IFCAMM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1ccc(Br)cc1Cl	ZINC000013656031	557381859	/nfs/dbraw/zinc/38/18/59/557381859.db2.gz	FWAIHMOSLLUMFA-ZWIPKHHJSA-N	-1	1	432.727	2.804	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Br)cc1OCc1ccccc1F	ZINC000001134756	568662145	/nfs/dbraw/zinc/66/21/45/568662145.db2.gz	DQKLMQQRAZENAR-UHFFFAOYSA-N	-1	1	449.232	2.925	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Br)cc1OCc1ccccc1F	ZINC000001134756	568662147	/nfs/dbraw/zinc/66/21/47/568662147.db2.gz	DQKLMQQRAZENAR-UHFFFAOYSA-N	-1	1	449.232	2.925	50	10		IFCAMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002262354	132250693	/nfs/dbraw/zinc/25/06/93/132250693.db2.gz	CYZGFQFHPFPBCH-RIYZIHGNSA-N	-1	1	446.868	2.643	50	10		IFCAMM
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000006645222	536660061	/nfs/dbraw/zinc/66/00/61/536660061.db2.gz	IWUSNCLDMKJZIS-ZSOIEALJSA-N	-1	1	446.868	2.643	50	10		IFCAMM
CC1=NN(c2ccccc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000008429954	556170245	/nfs/dbraw/zinc/17/02/45/556170245.db2.gz	CPVHMCGHZUCQFC-WJDWOHSUSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c([O-])n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O	ZINC000013590388	556529021	/nfs/dbraw/zinc/52/90/21/556529021.db2.gz	QLLWECDHBOCTHF-YBEGLDIGSA-N	-1	1	440.818	2.830	50	10		IFCAMM
O=C(Oc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)c1ccc(Br)cc1	ZINC000001226917	568750532	/nfs/dbraw/zinc/75/05/32/568750532.db2.gz	BWKYLILLXAPGCU-UHFFFAOYSA-N	-1	1	431.267	2.583	50	10		IFCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c([O-])n(-c2cccc(Cl)c2)c(=O)[nH]c1=O	ZINC000110100526	569263230	/nfs/dbraw/zinc/26/32/30/569263230.db2.gz	TVMXMPVOMYJLSK-MHWRWJLKSA-N	-1	1	440.818	2.830	50	10		IFCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1	ZINC000002947021	569427051	/nfs/dbraw/zinc/42/70/51/569427051.db2.gz	HOQOTDINFBARRX-UHFFFAOYSA-N	-1	1	432.885	2.721	50	10		IFCAMM
CCC(=O)NCCc1c(C=C2C(=O)[N-]C(=S)N([C@@H](C)CC)C2=O)[nH]c2ccccc21	ZINC000009281262	569518571	/nfs/dbraw/zinc/51/85/71/569518571.db2.gz	DMMSJBWVRYFOOI-WIOAZZGGSA-N	-1	1	426.542	2.662	50	10		IFCAMM
Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)NC1=S	ZINC000006973852	132280216	/nfs/dbraw/zinc/28/02/16/132280216.db2.gz	ZFUMYKYFLGDBGR-JYRVWZFOSA-N	-1	1	430.869	2.943	50	10		IFCAMM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1[O-]	ZINC000016349877	568877662	/nfs/dbraw/zinc/87/76/62/568877662.db2.gz	NZTOEABWPWBTBO-GZTJUZNOSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@H](C(C)(C)C)CC2	ZINC000040476933	569506636	/nfs/dbraw/zinc/50/66/36/569506636.db2.gz	BCEPQSRXHIDFLG-SNVBAGLBSA-N	-1	1	435.571	2.903	50	10		IFCAMM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)NC2=S)cc1	ZINC000002904189	132258337	/nfs/dbraw/zinc/25/83/37/132258337.db2.gz	SNMLDZJGIHZDMR-MHWRWJLKSA-N	-1	1	440.477	2.552	50	10		IFCAMM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1	ZINC000010058933	132334482	/nfs/dbraw/zinc/33/44/82/132334482.db2.gz	KBAMVJZXICRYMW-FOWTUZBSSA-N	-1	1	425.466	2.799	50	10		IFCAMM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C(=O)[N-]C1=S	ZINC000001128839	521511472	/nfs/dbraw/zinc/51/14/72/521511472.db2.gz	PGKFVUHAQPHKAO-XSFVSMFZSA-N	-1	1	438.553	2.577	50	10		IFCAMM
CC[C@@H](C)Oc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	ZINC000000658490	555526031	/nfs/dbraw/zinc/52/60/31/555526031.db2.gz	XSPUVXGTGJLCHQ-VKRGWIQLSA-N	-1	1	427.320	2.892	50	10		IFCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccccc1C	ZINC000013940177	556337607	/nfs/dbraw/zinc/33/76/07/556337607.db2.gz	NYISENWWMZLXDA-UHFFFAOYSA-N	-1	1	426.494	2.766	50	10		IFCAMM
Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000334161031	556837061	/nfs/dbraw/zinc/83/70/61/556837061.db2.gz	RMOWFYTXUXOURE-UHFFFAOYSA-N	-1	1	445.269	2.965	50	10		IFCAMM
Cc1ccc(OCCOc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000334161031	556837063	/nfs/dbraw/zinc/83/70/63/556837063.db2.gz	RMOWFYTXUXOURE-UHFFFAOYSA-N	-1	1	445.269	2.965	50	10		IFCAMM
CCOc1ccc2ccc(OCC)c(C=C3C(=O)[N-]C(=S)N(CCOC)C3=O)c2c1	ZINC000098086713	557122670	/nfs/dbraw/zinc/12/26/70/557122670.db2.gz	RGTUGIBIFFENJG-QGOAFFKASA-N	-1	1	428.510	2.910	50	10		IFCAMM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)C[C@@H]1c1ccc(N(C)C)cc1	ZINC000101764014	557297910	/nfs/dbraw/zinc/29/79/10/557297910.db2.gz	OFBOLUCFLDMDPB-LJQANCHMSA-N	-1	1	439.516	2.511	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000103539582	557438574	/nfs/dbraw/zinc/43/85/74/557438574.db2.gz	YBJWMLQMUPWHFE-UNOMPAQXSA-N	-1	1	430.464	2.963	50	10		IFCAMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000103539582	557438578	/nfs/dbraw/zinc/43/85/78/557438578.db2.gz	YBJWMLQMUPWHFE-UNOMPAQXSA-N	-1	1	430.464	2.963	50	10		IFCAMM
O=c1oc2c(ccc([O-])c2CN2CCN(CCO)CC2)cc1-c1nc2ccccc2s1	ZINC000020113147	563023643	/nfs/dbraw/zinc/02/36/43/563023643.db2.gz	XQILPBQVNBWTRU-UHFFFAOYSA-N	-1	1	437.521	2.885	50	10		IFCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(C)C	ZINC000001135462	568662046	/nfs/dbraw/zinc/66/20/46/568662046.db2.gz	FANBDOYKEPVLJM-UHFFFAOYSA-N	-1	1	427.320	2.797	50	10		IFCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CCN1C(=O)SC(=Cc2ccccc2)C1=O	ZINC000009348396	569524458	/nfs/dbraw/zinc/52/44/58/569524458.db2.gz	QMHLETJZWQNNAJ-ODLFYWEKSA-N	-1	1	440.477	2.866	50	10		IFCAMM
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000009235230	132310287	/nfs/dbraw/zinc/31/02/87/132310287.db2.gz	OIMQNDRZOOGJLX-FPYGCLRLSA-N	-1	1	437.456	2.798	50	10		IFCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1cccc(C)c1	ZINC000013943980	556341018	/nfs/dbraw/zinc/34/10/18/556341018.db2.gz	JOWHFVAZOUIISO-UHFFFAOYSA-N	-1	1	426.494	2.766	50	10		IFCAMM
O=c1oc2c(ccc([O-])c2CN2CCN(CCO)CC2)cc1-c1ccc2ccccc2n1	ZINC000020113107	556576733	/nfs/dbraw/zinc/57/67/33/556576733.db2.gz	BCYXPMPZZMADFG-UHFFFAOYSA-N	-1	1	431.492	2.824	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1[O-]	ZINC000230164209	557275964	/nfs/dbraw/zinc/27/59/64/557275964.db2.gz	ONONGPMYPFASFL-GZTJUZNOSA-N	-1	1	436.855	2.999	50	10		IFCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)ccc2[O-])[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21	ZINC000103002195	557415491	/nfs/dbraw/zinc/41/54/91/557415491.db2.gz	NOXFJLUTTKVRKS-NLDJYOPPSA-N	-1	1	435.263	2.992	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000103807333	557441675	/nfs/dbraw/zinc/44/16/75/557441675.db2.gz	NDZRHNWGSPSTNC-LDADJPATSA-N	-1	1	430.464	2.963	50	10		IFCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000001839832	568916425	/nfs/dbraw/zinc/91/64/25/568916425.db2.gz	YARQUUXGMIRYBW-RIYZIHGNSA-N	-1	1	430.413	2.540	50	10		IFCAMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1	ZINC000013012281	569306901	/nfs/dbraw/zinc/30/69/01/569306901.db2.gz	PRKCBAOTJHTUER-UHFFFAOYSA-N	-1	1	432.907	2.607	50	10		IFCAMM
C[C@H](NC(=O)CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)c1nc2ccccc2n1C	ZINC000020987149	524975559	/nfs/dbraw/zinc/97/55/59/524975559.db2.gz	UHSPUTMETFYFMP-LBPRGKRZSA-N	-1	1	449.496	2.534	50	10		IFCAMM
CC[C@H](C)Oc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	ZINC000000658494	555526080	/nfs/dbraw/zinc/52/60/80/555526080.db2.gz	XSPUVXGTGJLCHQ-CAXXOGMASA-N	-1	1	427.320	2.892	50	10		IFCAMM
CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1	ZINC000100633235	556636857	/nfs/dbraw/zinc/63/68/57/556636857.db2.gz	ATJHOEXCCSPXCB-UIMCMNAESA-N	-1	1	448.504	2.798	50	10		IFCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)ccc2[O-])[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21	ZINC000103002188	557415480	/nfs/dbraw/zinc/41/54/80/557415480.db2.gz	NOXFJLUTTKVRKS-ASKKUZCQSA-N	-1	1	435.263	2.992	50	10		IFCAMM
CC1=NN(c2ccccc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000103255476	557430558	/nfs/dbraw/zinc/43/05/58/557430558.db2.gz	CPVHMCGHZUCQFC-LFIBNONCSA-N	-1	1	436.855	2.999	50	10		IFCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1ccc(Br)cc1	ZINC000000979591	562919874	/nfs/dbraw/zinc/91/98/74/562919874.db2.gz	UMXTZOAIXLAIMW-UHFFFAOYSA-N	-1	1	447.310	2.951	50	10		IFCAMM
CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccc([O-])c(O)c1	ZINC000006181408	568868320	/nfs/dbraw/zinc/86/83/20/568868320.db2.gz	REEOBOOHSXOQAU-UHFFFAOYSA-N	-1	1	435.527	2.870	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(C)c2)c1[O-]	ZINC000016349874	568877517	/nfs/dbraw/zinc/87/75/17/568877517.db2.gz	RVLAAWXBUNQOMC-LDADJPATSA-N	-1	1	430.464	2.963	50	10		IFCAMM
CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000009313241	569521925	/nfs/dbraw/zinc/52/19/25/569521925.db2.gz	TYGQGXXZAJLTCW-GZTJUZNOSA-N	-1	1	427.457	2.742	50	10		IFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	ZINC000009635684	569554660	/nfs/dbraw/zinc/55/46/60/569554660.db2.gz	VRSKWSXMGLBLKE-UHFFFAOYSA-N	-1	1	430.844	2.864	50	10		IFCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	ZINC000009635684	569554661	/nfs/dbraw/zinc/55/46/61/569554661.db2.gz	VRSKWSXMGLBLKE-UHFFFAOYSA-N	-1	1	430.844	2.864	50	10		IFCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc(C)cc1	ZINC000009659790	569556694	/nfs/dbraw/zinc/55/66/94/569556694.db2.gz	OFUMYDRAEQSMQA-UHFFFAOYSA-N	-1	1	426.494	2.766	50	10		IFCAMM
CC(C)c1nn2c(nc(CSc3nc(-c4ccco4)nc4cc(=O)[n-]n43)cc2=O)s1	ZINC000020987019	519884202	/nfs/dbraw/zinc/88/42/02/519884202.db2.gz	MIUUARLBFVMRMH-UHFFFAOYSA-N	-1	1	441.498	2.558	50	10		IFCAMM
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000012868187	521963712	/nfs/dbraw/zinc/96/37/12/521963712.db2.gz	FDJRQHNPWYYNLE-NTUHNPAUSA-N	-1	1	436.848	2.607	50	10		IFCAMM
O=C(CSc1nccc(=O)[n-]1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	ZINC000012601507	527070078	/nfs/dbraw/zinc/07/00/78/527070078.db2.gz	ZBFSDEMWLVEZDI-UHFFFAOYSA-N	-1	1	425.853	2.930	50	10		IFCAMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002815949	556146185	/nfs/dbraw/zinc/14/61/85/556146185.db2.gz	VYFPHMFAAXSXCZ-VSXLWIIGSA-N	-1	1	444.440	2.518	50	10		IFCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Cl)ccc2[O-])[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21	ZINC000103002193	557415397	/nfs/dbraw/zinc/41/53/97/557415397.db2.gz	NOXFJLUTTKVRKS-MFCZKXCZSA-N	-1	1	435.263	2.992	50	10		IFCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000103790548	557441697	/nfs/dbraw/zinc/44/16/97/557441697.db2.gz	XLOIOOQMHWXDSJ-GZTJUZNOSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000109124073	557545729	/nfs/dbraw/zinc/54/57/29/557545729.db2.gz	FTZGJCNTNBPMFN-BOPFTXTBSA-N	-1	1	436.855	2.999	50	10		IFCAMM
CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000018996973	568631142	/nfs/dbraw/zinc/63/11/42/568631142.db2.gz	VHZNBKNEZPOYFL-UHFFFAOYSA-N	-1	1	432.068	2.750	50	10		IFCAMM
CCCOc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000018996973	568631146	/nfs/dbraw/zinc/63/11/46/568631146.db2.gz	VHZNBKNEZPOYFL-UHFFFAOYSA-N	-1	1	432.068	2.750	50	10		IFCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1	ZINC000001178179	568735873	/nfs/dbraw/zinc/73/58/73/568735873.db2.gz	QBFBCLMKJPXPQZ-UHFFFAOYSA-N	-1	1	444.827	2.716	50	10		IFCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1	ZINC000001178179	568735875	/nfs/dbraw/zinc/73/58/75/568735875.db2.gz	QBFBCLMKJPXPQZ-UHFFFAOYSA-N	-1	1	444.827	2.716	50	10		IFCAMM
COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCc1ccc(Br)cc1	ZINC000001178918	568735909	/nfs/dbraw/zinc/73/59/09/568735909.db2.gz	VMINDYUMGZTEHD-UHFFFAOYSA-N	-1	1	447.310	2.951	50	10		IFCAMM
O=C(C[C@@H](c1ccccc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1	ZINC000096221496	569386866	/nfs/dbraw/zinc/38/68/66/569386866.db2.gz	HTYGTRUKSMNXEQ-SFHVURJKSA-N	-1	1	445.475	2.692	50	10		IFCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1cc(C)ccc1C	ZINC000002977744	569433652	/nfs/dbraw/zinc/43/36/52/569433652.db2.gz	YASPSHSLMMAKSL-UHFFFAOYSA-N	-1	1	426.494	2.684	50	10		IFCAMM
CCN1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)[N-]C1=S	ZINC000009166631	569508902	/nfs/dbraw/zinc/50/89/02/569508902.db2.gz	FJGSWJLVCSAYCP-BOPFTXTBSA-N	-1	1	449.488	2.549	50	10		IFCAMM