smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000022033608	521962973	/nfs/dbraw/zinc/96/29/73/521962973.db2.gz	LBXQHDOQIYRRTC-WUXMJOGZSA-N	-2	0	433.829	2.794	50	10		IFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000100641697	556639117	/nfs/dbraw/zinc/63/91/17/556639117.db2.gz	IJALCABBFBHNFQ-UIMCMNAESA-N	-2	0	432.436	2.633	50	10		IFCARL
O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=N[N-]c1nccs1	ZINC000025693724	557222343	/nfs/dbraw/zinc/22/23/43/557222343.db2.gz	KHGPMRVVIQLMRE-NXVVXOECSA-N	-3	0	431.429	2.616	50	10		IFCARL
CCOc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000002242425	569213727	/nfs/dbraw/zinc/21/37/27/569213727.db2.gz	JFGFDIIAGKTZJU-RLIURORJSA-N	-2	0	425.484	2.613	50	10		IFCARL
COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000027534272	569267748	/nfs/dbraw/zinc/26/77/48/569267748.db2.gz	UHFDGGPGNAZCMW-PDGQHHTCSA-N	-2	0	432.388	2.893	50	10		IFCARL
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000004181231	569460672	/nfs/dbraw/zinc/46/06/72/569460672.db2.gz	KQERXUJTVGXOQW-SDQBBNPISA-N	-2	0	437.235	2.927	50	10		IFCARL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000001186676	132238871	/nfs/dbraw/zinc/23/88/71/132238871.db2.gz	SLRJHCVZMSQUIF-RIYZIHGNSA-N	-2	0	445.225	2.579	50	10		IFCARL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000002313633	132251819	/nfs/dbraw/zinc/25/18/19/132251819.db2.gz	PCJZHNIDXRTZDC-RIYZIHGNSA-N	-2	0	434.326	2.835	50	10		IFCARL
CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000009462731	132318206	/nfs/dbraw/zinc/31/82/06/132318206.db2.gz	UODAHGZUSLOUFG-CYUIRQCWSA-N	-2	0	440.477	2.769	50	10		IFCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C1=O	ZINC000009731078	132327975	/nfs/dbraw/zinc/32/79/75/132327975.db2.gz	NJHINKJXLCCGNM-XDUBLRSXSA-N	-2	0	438.436	2.776	50	10		IFCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002891926	535658596	/nfs/dbraw/zinc/65/85/96/535658596.db2.gz	ALKQRNANASUZHA-LUYJPIOASA-N	-2	0	438.436	2.912	50	10		IFCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000004483638	556335245	/nfs/dbraw/zinc/33/52/45/556335245.db2.gz	ARPPISDNDPSZAB-UHFFFAOYSA-N	-2	0	444.827	2.765	50	10		IFCARL
C[C@@H](C(=O)[O-])n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000009265058	132311868	/nfs/dbraw/zinc/31/18/68/132311868.db2.gz	MIUIHIJHJYTOCF-WIJRQFRKSA-N	-2	0	447.403	2.682	50	10		IFCARL
O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)[N-]C2=S)c1	ZINC000009324522	132313828	/nfs/dbraw/zinc/31/38/28/132313828.db2.gz	QOSLXDNKRWCDRP-XGICHPGQSA-N	-2	0	430.825	2.598	50	10		IFCARL
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000002980716	556153857	/nfs/dbraw/zinc/15/38/57/556153857.db2.gz	IWUSNCLDMKJZIS-RIYZIHGNSA-N	-2	0	446.868	2.643	50	10		IFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000013073931	556454534	/nfs/dbraw/zinc/45/45/34/556454534.db2.gz	XMBJYFDHLIFYPR-CWZJEYLYSA-N	-2	0	448.434	2.984	50	10		IFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000018271893	556688798	/nfs/dbraw/zinc/68/87/98/556688798.db2.gz	FSWYWBTYCIONRZ-CCAPLTMGSA-N	-2	0	432.392	2.804	50	10		IFCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000033455822	557399202	/nfs/dbraw/zinc/39/92/02/557399202.db2.gz	XSHMOFIMVIXOGV-ZSOIEALJSA-N	-2	0	441.352	2.574	50	10		IFCARL
CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1OC	ZINC000002242423	569213706	/nfs/dbraw/zinc/21/37/06/569213706.db2.gz	JFGFDIIAGKTZJU-HOXUKUGESA-N	-2	0	425.484	2.613	50	10		IFCARL
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCN(CCO)CC2)c1[O-]	ZINC000020170902	569354263	/nfs/dbraw/zinc/35/42/63/569354263.db2.gz	ONIVYPGCCOLXTC-UHFFFAOYSA-N	-2	0	448.523	2.714	50	10		IFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000010232810	569579346	/nfs/dbraw/zinc/57/93/46/569579346.db2.gz	DJFKKVWGDIOYDZ-AISSWFOISA-N	-2	0	448.434	2.984	50	10		IFCARL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000001180346	132238605	/nfs/dbraw/zinc/23/86/05/132238605.db2.gz	TWDQICCURIEFDH-NTEUORMPSA-N	-2	0	445.225	2.579	50	10		IFCARL
CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)cc1	ZINC000008872532	132296903	/nfs/dbraw/zinc/29/69/03/132296903.db2.gz	ATJHOEXCCSPXCB-ZJYZBMPFSA-N	-2	0	448.504	2.798	50	10		IFCARL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002815948	555828787	/nfs/dbraw/zinc/82/87/87/555828787.db2.gz	VYFPHMFAAXSXCZ-KWJWQAOWSA-N	-2	0	444.440	2.518	50	10		IFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000001797777	568740518	/nfs/dbraw/zinc/74/05/18/568740518.db2.gz	OYPKGXDMUWXBRC-OBTCNRAFSA-N	-2	0	448.434	2.984	50	10		IFCARL
COc1ccc2nc(/C=C3/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)ccc2c1	ZINC000009422478	569532896	/nfs/dbraw/zinc/53/28/96/569532896.db2.gz	YOMGGZJPEWEYND-UWZYDCLUSA-N	-2	0	432.479	2.763	50	10		IFCARL
CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002262648	132250705	/nfs/dbraw/zinc/25/07/05/132250705.db2.gz	UODAHGZUSLOUFG-RNEAKCBISA-N	-2	0	440.477	2.769	50	10		IFCARL
CCOc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002262646	132250713	/nfs/dbraw/zinc/25/07/13/132250713.db2.gz	UODAHGZUSLOUFG-HTMJNSLASA-N	-2	0	440.477	2.769	50	10		IFCARL
CN(C)c1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000009259679	132311383	/nfs/dbraw/zinc/31/13/83/132311383.db2.gz	RVOBWZJBAZGBTD-ZHZULCJRSA-N	-2	0	444.447	2.908	50	10		IFCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002902301	535659577	/nfs/dbraw/zinc/65/95/77/535659577.db2.gz	AYBWOJCCHKEQGJ-SWEABUAFSA-N	-2	0	438.436	2.912	50	10		IFCARL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000002979231	557134371	/nfs/dbraw/zinc/13/43/71/557134371.db2.gz	ZFUMYKYFLGDBGR-MDWZMJQESA-N	-2	0	430.869	2.943	50	10		IFCARL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000009311342	535658418	/nfs/dbraw/zinc/65/84/18/535658418.db2.gz	CMYKHOCDMXTJCK-DHDCSXOGSA-N	-2	0	444.827	2.869	50	10		IFCARL
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002142092	535658650	/nfs/dbraw/zinc/65/86/50/535658650.db2.gz	KSUWOAIIHRDNQH-RERGGYADSA-N	-2	0	440.477	2.769	50	10		IFCARL
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002142096	535659786	/nfs/dbraw/zinc/65/97/86/535659786.db2.gz	KSUWOAIIHRDNQH-YYTPVVGHSA-N	-2	0	440.477	2.769	50	10		IFCARL
CCCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OCC)c2)C1=O	ZINC000009260113	556268070	/nfs/dbraw/zinc/26/80/70/556268070.db2.gz	CKJPEKSUTABFFZ-GDNBJRDFSA-N	-2	0	442.424	2.827	50	10		IFCARL
O=C1C=C([O-])C=CC1=NNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC000102295983	557300810	/nfs/dbraw/zinc/30/08/10/557300810.db2.gz	BTEWRTUJKSQHIE-ZCXUNETKSA-N	-3	0	440.411	2.865	50	10		IFCARL
O=C([O-])c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000001811475	562924714	/nfs/dbraw/zinc/92/47/14/562924714.db2.gz	MTLOMBURWFELES-ZROIWOOFSA-N	-2	0	429.435	2.839	50	10		IFCARL
COc1ccc2nc(/C=C3/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)ccc2c1	ZINC000009422477	569532889	/nfs/dbraw/zinc/53/28/89/569532889.db2.gz	YOMGGZJPEWEYND-AHSSXEFNSA-N	-2	0	432.479	2.763	50	10		IFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000010232809	569579341	/nfs/dbraw/zinc/57/93/41/569579341.db2.gz	DJFKKVWGDIOYDZ-OBTCNRAFSA-N	-2	0	448.434	2.984	50	10		IFCARL
COc1ccc2nc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)ccc2c1	ZINC000054360851	193930921	/nfs/dbraw/zinc/93/09/21/193930921.db2.gz	YOMGGZJPEWEYND-BUYRESAOSA-N	-2	0	432.479	2.763	50	10		IFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000009311419	132313332	/nfs/dbraw/zinc/31/33/32/132313332.db2.gz	IJALCABBFBHNFQ-UZNZLNSGSA-N	-2	0	432.436	2.633	50	10		IFCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000022148024	520628669	/nfs/dbraw/zinc/62/86/69/520628669.db2.gz	CMYKHOCDMXTJCK-OQLLNIDSSA-N	-2	0	444.827	2.869	50	10		IFCARL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000009891798	569572910	/nfs/dbraw/zinc/57/29/10/569572910.db2.gz	QTYWZYNKKDRRLE-GHXNOFRVSA-N	-2	0	432.186	2.729	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002817319	132257419	/nfs/dbraw/zinc/25/74/19/132257419.db2.gz	LASXPKWCGXMZJI-KNGSKEOJSA-N	-2	0	438.436	2.830	50	10		IFCARL
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)c1	ZINC000008743544	132292494	/nfs/dbraw/zinc/29/24/94/132292494.db2.gz	SFQGKNGENDEELU-ZROIWOOFSA-N	-2	0	426.381	2.674	50	10		IFCARL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C1=O	ZINC000009934792	132332204	/nfs/dbraw/zinc/33/22/04/132332204.db2.gz	BSZYOWYRODGFJQ-LFIBNONCSA-N	-2	0	433.420	2.791	50	10		IFCARL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000012381046	521945780	/nfs/dbraw/zinc/94/57/80/521945780.db2.gz	VYFPHMFAAXSXCZ-NASPGAHYSA-N	-2	0	444.440	2.518	50	10		IFCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000002948321	535659474	/nfs/dbraw/zinc/65/94/74/535659474.db2.gz	ZUHRVYAWPXDFBD-LICLKQGHSA-N	-2	0	438.436	2.832	50	10		IFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000015723295	556545741	/nfs/dbraw/zinc/54/57/41/556545741.db2.gz	IJALCABBFBHNFQ-DYGKOUCMSA-N	-2	0	432.436	2.838	50	10		IFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000018271935	556688875	/nfs/dbraw/zinc/68/88/75/556688875.db2.gz	IJALCABBFBHNFQ-ZJYZBMPFSA-N	-2	0	432.436	2.633	50	10		IFCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000023380931	557088690	/nfs/dbraw/zinc/08/86/90/557088690.db2.gz	XMKGQBUAFKGDGV-DHDCSXOGSA-N	-2	0	426.381	2.674	50	10		IFCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)[O-]	ZINC000016246764	557471415	/nfs/dbraw/zinc/47/14/15/557471415.db2.gz	GYTRFNFIIOTKBP-VGOFMYFVSA-N	-2	0	441.352	2.574	50	10		IFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000001797779	568908289	/nfs/dbraw/zinc/90/82/89/568908289.db2.gz	OYPKGXDMUWXBRC-AISSWFOISA-N	-2	0	448.434	2.984	50	10		IFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000003196537	569441578	/nfs/dbraw/zinc/44/15/78/569441578.db2.gz	LTLVTBHLMZFTJT-VUBLIPMDSA-N	-2	0	430.301	2.968	50	10		IFCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000002735884	132256707	/nfs/dbraw/zinc/25/67/07/132256707.db2.gz	DKYHGSLCVLAZEH-OVCLIPMQSA-N	-2	0	445.225	2.579	50	10		IFCARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000008769502	132293762	/nfs/dbraw/zinc/29/37/62/132293762.db2.gz	UEGOUZZRDYCFPF-OQLLNIDSSA-N	-2	0	426.450	2.710	50	10		IFCARL
CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000008952171	132298691	/nfs/dbraw/zinc/29/86/91/132298691.db2.gz	UODAHGZUSLOUFG-FDIDITGRSA-N	-2	0	440.477	2.769	50	10		IFCARL
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000009299716	132313032	/nfs/dbraw/zinc/31/30/32/132313032.db2.gz	FYOQNPYVKUJICC-KPKJPENVSA-N	-2	0	448.254	2.894	50	10		IFCARL
O=C1C=C([O-])C=CC1=NNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC000025557856	557213955	/nfs/dbraw/zinc/21/39/55/557213955.db2.gz	BTEWRTUJKSQHIE-ISLYRVAYSA-N	-3	0	440.411	2.865	50	10		IFCARL
CCOc1cccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)c1	ZINC000100194465	568791443	/nfs/dbraw/zinc/79/14/43/568791443.db2.gz	GKPRHIDGZHMMLN-DYGKOUCMSA-N	-2	0	448.504	2.798	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000002774051	132257128	/nfs/dbraw/zinc/25/71/28/132257128.db2.gz	PWNBXGOLJMUHCF-VGOFMYFVSA-N	-2	0	444.827	2.787	50	10		IFCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000009260365	132311575	/nfs/dbraw/zinc/31/15/75/132311575.db2.gz	SHQGFARXYGJOBG-ZSOIEALJSA-N	-2	0	430.869	2.943	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000012363200	521962891	/nfs/dbraw/zinc/96/28/91/521962891.db2.gz	VYFPHMFAAXSXCZ-GJSJWPQCSA-N	-2	0	444.440	2.518	50	10		IFCARL
O=C([O-])c1cc(O)ccc1NC(=O)c1cccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000002376524	555773617	/nfs/dbraw/zinc/77/36/17/555773617.db2.gz	KPKMOMPPIPDSRZ-UHFFFAOYSA-N	-2	0	436.376	2.999	50	10		IFCARL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000009259637	556267967	/nfs/dbraw/zinc/26/79/67/556267967.db2.gz	FDJRQHNPWYYNLE-QPEQYQDCSA-N	-2	0	436.848	2.607	50	10		IFCARL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000009322178	556281020	/nfs/dbraw/zinc/28/10/20/556281020.db2.gz	CTMSPXIBLXUAJL-AUWJEWJLSA-N	-2	0	444.827	2.787	50	10		IFCARL
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2C(=O)[O-])o1	ZINC000101058997	557282023	/nfs/dbraw/zinc/28/20/23/557282023.db2.gz	XRKNWHCEIXRIPH-KPKJPENVSA-N	-2	0	443.217	2.727	50	10		IFCARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000033409719	557338642	/nfs/dbraw/zinc/33/86/42/557338642.db2.gz	YARQUUXGMIRYBW-ZSOIEALJSA-N	-2	0	430.413	2.969	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002262354	132250692	/nfs/dbraw/zinc/25/06/92/132250692.db2.gz	CYZGFQFHPFPBCH-RIYZIHGNSA-N	-2	0	446.868	2.643	50	10		IFCARL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C1=O	ZINC000009265498	132311923	/nfs/dbraw/zinc/31/19/23/132311923.db2.gz	BSZYOWYRODGFJQ-WJDWOHSUSA-N	-2	0	433.420	2.791	50	10		IFCARL
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000006645222	536660053	/nfs/dbraw/zinc/66/00/53/536660053.db2.gz	IWUSNCLDMKJZIS-ZSOIEALJSA-N	-2	0	446.868	2.643	50	10		IFCARL
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1	ZINC000001749827	555712466	/nfs/dbraw/zinc/71/24/66/555712466.db2.gz	XRDAJMXNFRPPNK-GDNBJRDFSA-N	-2	0	434.520	2.788	50	10		IFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000003196540	569441565	/nfs/dbraw/zinc/44/15/65/569441565.db2.gz	LTLVTBHLMZFTJT-UEUZTHOGSA-N	-2	0	430.301	2.968	50	10		IFCARL
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000009233684	569513908	/nfs/dbraw/zinc/51/39/08/569513908.db2.gz	HXBJCUUDEDGSTI-OVCLIPMQSA-N	-2	0	445.405	2.942	50	10		IFCARL
Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000006973852	132280215	/nfs/dbraw/zinc/28/02/15/132280215.db2.gz	ZFUMYKYFLGDBGR-JYRVWZFOSA-N	-2	0	430.869	2.943	50	10		IFCARL
C[C@H](C(=O)[O-])n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000009265061	132311851	/nfs/dbraw/zinc/31/18/51/132311851.db2.gz	MIUIHIJHJYTOCF-GGNJANJASA-N	-2	0	447.403	2.682	50	10		IFCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009601631	132323053	/nfs/dbraw/zinc/32/30/53/132323053.db2.gz	XLPUWJCZPXBZJV-CPNJWEJPSA-N	-2	0	431.404	2.851	50	10		IFCARL
O=C([O-])Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000015013073	556484149	/nfs/dbraw/zinc/48/41/49/556484149.db2.gz	KSNIQYHXSOJHPS-CHHVJCJISA-N	-2	0	433.376	2.961	50	10		IFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000032508930	568811691	/nfs/dbraw/zinc/81/16/91/568811691.db2.gz	KPFAYZOKNVQHFR-GEXOLPNISA-N	-2	0	442.858	2.847	50	10		IFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000003196542	569441573	/nfs/dbraw/zinc/44/15/73/569441573.db2.gz	LTLVTBHLMZFTJT-PAKSIRSJSA-N	-2	0	430.301	2.968	50	10		IFCARL
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000008958839	569490244	/nfs/dbraw/zinc/49/02/44/569490244.db2.gz	UATVVINGVDGCFD-UHFFFAOYSA-N	-2	0	436.376	2.999	50	10		IFCARL
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000002904189	132258332	/nfs/dbraw/zinc/25/83/32/132258332.db2.gz	SNMLDZJGIHZDMR-MHWRWJLKSA-N	-2	0	440.477	2.552	50	10		IFCARL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000002914973	132258546	/nfs/dbraw/zinc/25/85/46/132258546.db2.gz	LBXQHDOQIYRRTC-SDQBBNPISA-N	-2	0	433.829	2.794	50	10		IFCARL
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c1	ZINC000010058933	132334481	/nfs/dbraw/zinc/33/44/81/132334481.db2.gz	KBAMVJZXICRYMW-FOWTUZBSSA-N	-2	0	425.466	2.799	50	10		IFCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002902299	535659685	/nfs/dbraw/zinc/65/96/85/535659685.db2.gz	AYBWOJCCHKEQGJ-MPMPPSQCSA-N	-2	0	438.436	2.912	50	10		IFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000001797776	568908325	/nfs/dbraw/zinc/90/83/25/568908325.db2.gz	OYPKGXDMUWXBRC-FUEWVNAISA-N	-2	0	448.434	2.984	50	10		IFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000001797778	568908364	/nfs/dbraw/zinc/90/83/64/568908364.db2.gz	OYPKGXDMUWXBRC-CWZJEYLYSA-N	-2	0	448.434	2.984	50	10		IFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000003196538	569441559	/nfs/dbraw/zinc/44/15/59/569441559.db2.gz	LTLVTBHLMZFTJT-QBQSQJOESA-N	-2	0	430.301	2.968	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002817321	132257468	/nfs/dbraw/zinc/25/74/68/132257468.db2.gz	LASXPKWCGXMZJI-DWKHYPNZSA-N	-2	0	438.436	2.830	50	10		IFCARL
Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(N2CCOCC2)cc1	ZINC000009235230	132310286	/nfs/dbraw/zinc/31/02/86/132310286.db2.gz	OIMQNDRZOOGJLX-FPYGCLRLSA-N	-2	0	437.456	2.798	50	10		IFCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C1=O	ZINC000009731080	132328025	/nfs/dbraw/zinc/32/80/25/132328025.db2.gz	NJHINKJXLCCGNM-KWWJGWKXSA-N	-2	0	438.436	2.776	50	10		IFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000013073929	556454650	/nfs/dbraw/zinc/45/46/50/556454650.db2.gz	XMBJYFDHLIFYPR-FUEWVNAISA-N	-2	0	448.434	2.984	50	10		IFCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000033333778	557118308	/nfs/dbraw/zinc/11/83/08/557118308.db2.gz	XMKGQBUAFKGDGV-OQLLNIDSSA-N	-2	0	426.381	2.674	50	10		IFCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000016226014	557471198	/nfs/dbraw/zinc/47/11/98/557471198.db2.gz	XSHMOFIMVIXOGV-RIYZIHGNSA-N	-2	0	441.352	2.574	50	10		IFCARL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000001839832	568916424	/nfs/dbraw/zinc/91/64/24/568916424.db2.gz	YARQUUXGMIRYBW-RIYZIHGNSA-N	-2	0	430.413	2.540	50	10		IFCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000002287138	132251226	/nfs/dbraw/zinc/25/12/26/132251226.db2.gz	ZUOUVUCTQPERDE-OVCLIPMQSA-N	-2	0	434.326	2.835	50	10		IFCARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1	ZINC000002726859	132256785	/nfs/dbraw/zinc/25/67/85/132256785.db2.gz	BFSZESKKTBAMMK-OVCLIPMQSA-N	-2	0	444.827	2.869	50	10		IFCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C1=O	ZINC000009260100	132311360	/nfs/dbraw/zinc/31/13/60/132311360.db2.gz	NJHINKJXLCCGNM-YYTPVVGHSA-N	-2	0	438.436	2.776	50	10		IFCARL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C1=O	ZINC000009260097	132311392	/nfs/dbraw/zinc/31/13/92/132311392.db2.gz	NJHINKJXLCCGNM-RERGGYADSA-N	-2	0	438.436	2.776	50	10		IFCARL
CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)cc1	ZINC000100633235	556636853	/nfs/dbraw/zinc/63/68/53/556636853.db2.gz	ATJHOEXCCSPXCB-UIMCMNAESA-N	-2	0	448.504	2.798	50	10		IFCARL
COc1ccc2nc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)ccc2c1	ZINC000054360852	568940785	/nfs/dbraw/zinc/94/07/85/568940785.db2.gz	YOMGGZJPEWEYND-WJQTUHTMSA-N	-2	0	432.479	2.763	50	10		IFCARL
O=C([O-])COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001186736	132239027	/nfs/dbraw/zinc/23/90/27/132239027.db2.gz	MAZWVTOALNSXKH-DHDCSXOGSA-N	-2	0	445.225	2.579	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000012868187	521963689	/nfs/dbraw/zinc/96/36/89/521963689.db2.gz	FDJRQHNPWYYNLE-NTUHNPAUSA-N	-2	0	436.848	2.607	50	10		IFCARL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002891928	535659454	/nfs/dbraw/zinc/65/94/54/535659454.db2.gz	ALKQRNANASUZHA-DSQDWWTGSA-N	-2	0	438.436	2.912	50	10		IFCARL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002815949	556146181	/nfs/dbraw/zinc/14/61/81/556146181.db2.gz	VYFPHMFAAXSXCZ-VSXLWIIGSA-N	-2	0	444.440	2.518	50	10		IFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000009075780	569500238	/nfs/dbraw/zinc/50/02/38/569500238.db2.gz	KPFAYZOKNVQHFR-FCXXZRIVSA-N	-2	0	442.858	2.847	50	10		IFCARL