smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc([O-])c3)C2=O)c1OC	ZINC000001245921	557251084	/nfs/dbraw/zinc/25/10/84/557251084.db2.gz	BTDZCZLVKQNRTP-XNTDXEJSSA-N	-1	3	416.480	2.956	40	10		HFCBHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(N4CCCC4)cc2)C3)C[C@H](C)O1	ZINC000072347287	558944178	/nfs/dbraw/zinc/94/41/78/558944178.db2.gz	OKZHUIUIGIUKAK-ROUUACIJSA-N	-1	3	423.561	2.954	40	10		HFCBHM
O=C([N-]N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1cccc([N+](=O)[O-])c1	ZINC000015357009	558735612	/nfs/dbraw/zinc/73/56/12/558735612.db2.gz	AYQQKBJKAHZRPH-RIYZIHGNSA-N	-1	3	401.425	2.847	40	10		HFCBHM
CCOc1ccc(O)c(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)c1	ZINC000019532566	558912680	/nfs/dbraw/zinc/91/26/80/558912680.db2.gz	IMODHYGWKBGNJT-LJQANCHMSA-N	-1	3	412.490	2.528	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCc1ccccc1	ZINC000017093016	560867580	/nfs/dbraw/zinc/86/75/80/560867580.db2.gz	WIDNPWOALUWZAV-QNGOZBTKSA-N	-1	3	422.441	2.967	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S)c1ccccc1[O-]	ZINC000054361122	569072330	/nfs/dbraw/zinc/07/23/30/569072330.db2.gz	LOKRWZMHWLUHCH-SXGWCWSVSA-N	-1	3	408.464	2.882	40	10		HFCBHM
O=Cc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000008870223	557812737	/nfs/dbraw/zinc/81/27/37/557812737.db2.gz	VYARBZYFZLOWCV-NVNXTCNLSA-N	-1	3	413.436	2.954	40	10		HFCBHM
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)[n-]c(-c2ccncc2)n1	ZINC000019458475	558892665	/nfs/dbraw/zinc/89/26/65/558892665.db2.gz	GXTSADQHLNFFNK-OAHLLOKOSA-N	-1	3	409.465	2.658	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NC[C@H]1CCCO1	ZINC000101842353	559148136	/nfs/dbraw/zinc/14/81/36/559148136.db2.gz	IUCGFQPQSLRQSM-RNEAKCBISA-N	-1	3	414.487	2.605	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=C(C)NCCOc1ccccc1OC	ZINC000017093557	560868164	/nfs/dbraw/zinc/86/81/64/560868164.db2.gz	AOMKRYVQLKICQQ-JWGURIENSA-N	-1	3	423.469	2.904	40	10		HFCBHM
CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000004914394	557613448	/nfs/dbraw/zinc/61/34/48/557613448.db2.gz	TUEYWNKNHRPXFU-ZDUSSCGKSA-N	-1	3	406.460	2.508	40	10		HFCBHM
COc1cc(OC)c([C@@H](c2cc3c(cc2[O-])OCO3)N2CCOCC2)c(OC)c1	ZINC000031438677	558750599	/nfs/dbraw/zinc/75/05/99/558750599.db2.gz	CURGVCDXVHAOOH-OAQYLSRUSA-N	-1	3	403.431	2.568	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S)c1cccc([O-])c1	ZINC000054361128	569072336	/nfs/dbraw/zinc/07/23/36/569072336.db2.gz	VHFDYQGIIDNXHR-SXGWCWSVSA-N	-1	3	408.464	2.882	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1	ZINC000408758628	559271355	/nfs/dbraw/zinc/27/13/55/559271355.db2.gz	OEDCICFSSJOAHP-SXGWCWSVSA-N	-1	3	411.395	2.920	40	10		HFCBHM
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)CC2)cc1	ZINC000044905060	524418793	/nfs/dbraw/zinc/41/87/93/524418793.db2.gz	RUNKEXVLIJQURT-UHFFFAOYSA-N	-1	3	423.922	2.683	40	10		HFCBHM
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc([O-])cc3)C2=O)c1OC	ZINC000001300562	557254342	/nfs/dbraw/zinc/25/43/42/557254342.db2.gz	MXYAIYKBKYMFJH-XNTDXEJSSA-N	-1	3	416.480	2.956	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NC[C@@H]1CCCO1	ZINC000101842344	559148109	/nfs/dbraw/zinc/14/81/09/559148109.db2.gz	IUCGFQPQSLRQSM-HTMJNSLASA-N	-1	3	414.487	2.605	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S)c1ccc([O-])cc1	ZINC000054361167	569072385	/nfs/dbraw/zinc/07/23/85/569072385.db2.gz	NPKOOPIBALJDSU-SXGWCWSVSA-N	-1	3	408.464	2.882	40	10		HFCBHM
Cc1cc(N2CCOCC2)ccc1CN1CCc2c(nc(-c3cccnc3)[n-]c2=O)C1	ZINC000019570686	558929505	/nfs/dbraw/zinc/92/95/05/558929505.db2.gz	TYMWRLWONIPWAP-UHFFFAOYSA-N	-1	3	417.513	2.535	40	10		HFCBHM
CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3[O-])n2)cc1	ZINC000072321994	560076307	/nfs/dbraw/zinc/07/63/07/560076307.db2.gz	MWSKERMDWLHSJS-IBGZPJMESA-N	-1	3	413.499	2.759	40	10	biogenic,in-vitro	HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)S1	ZINC000408753108	557814163	/nfs/dbraw/zinc/81/41/63/557814163.db2.gz	LKXDMWQYSPGOTM-BOPFTXTBSA-N	-1	3	416.480	2.869	40	10		HFCBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1	ZINC000408534388	557320916	/nfs/dbraw/zinc/32/09/16/557320916.db2.gz	QUBOFAOOMKFELZ-SSZFMOIBSA-N	-1	3	418.457	2.824	40	10		HFCBHM
COc1cc(C(=O)[N-]N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc(OC)c1OC	ZINC000008869996	557812620	/nfs/dbraw/zinc/81/26/20/557812620.db2.gz	QVKPJZGHYGJXRN-ZROIWOOFSA-N	-1	3	419.484	2.587	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)S1	ZINC000409084580	560674156	/nfs/dbraw/zinc/67/41/56/560674156.db2.gz	PSJAXBNSHBRCOH-LFIBNONCSA-N	-1	3	402.453	2.561	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S)c1ccc([O-])cc1	ZINC000054361127	569072356	/nfs/dbraw/zinc/07/23/56/569072356.db2.gz	JTNVYKYTHAGITC-YBEGLDIGSA-N	-1	3	408.464	2.882	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S)c1cccc([O-])c1	ZINC000054361168	569072373	/nfs/dbraw/zinc/07/23/73/569072373.db2.gz	UZPLOLKARNSNQD-SXGWCWSVSA-N	-1	3	408.464	2.882	40	10		HFCBHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(N4CCCC4)cc2)C3)C[C@H](C)O1	ZINC000072347286	558944108	/nfs/dbraw/zinc/94/41/08/558944108.db2.gz	OKZHUIUIGIUKAK-HDICACEKSA-N	-1	3	423.561	2.954	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCCOC(C)C	ZINC000017091396	560866234	/nfs/dbraw/zinc/86/62/34/560866234.db2.gz	HCJWSOXVHIZBKE-RGEXLXHISA-N	-1	3	418.450	2.539	40	10		HFCBHM
CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(N4CCOCC4)cc2)C3)CC1	ZINC000072347352	558944408	/nfs/dbraw/zinc/94/44/08/558944408.db2.gz	AZZAQRSVHXMUGF-UHFFFAOYSA-N	-1	3	423.561	2.813	40	10		HFCBHM
CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000408601777	557522105	/nfs/dbraw/zinc/52/21/05/557522105.db2.gz	HFKZYTMWQWROKA-CQSZACIVSA-N	-1	3	420.487	2.756	40	10		HFCBHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21	ZINC000004558324	560897964	/nfs/dbraw/zinc/89/79/64/560897964.db2.gz	VCKVUEVUZHRPNV-XHOYROJHSA-N	-1	3	416.433	2.839	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/[C@@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc([O-])c1	ZINC000020227356	558349590	/nfs/dbraw/zinc/34/95/90/558349590.db2.gz	UZWWILGFGGBPER-GRRFOWRYSA-N	-1	3	411.464	2.517	40	10		HFCBHM
CCOc1ccc(O)c(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)c1	ZINC000019532568	558912649	/nfs/dbraw/zinc/91/26/49/558912649.db2.gz	IMODHYGWKBGNJT-IBGZPJMESA-N	-1	3	412.490	2.528	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)S1	ZINC000408766216	560629974	/nfs/dbraw/zinc/62/99/74/560629974.db2.gz	PSLSSYXTVRMSGI-BOPFTXTBSA-N	-1	3	416.480	2.869	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S)c1ccccc1[O-]	ZINC000054361117	569072340	/nfs/dbraw/zinc/07/23/40/569072340.db2.gz	BCGNXYGAHWYOLO-YBEGLDIGSA-N	-1	3	408.464	2.882	40	10		HFCBHM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C	ZINC000408526504	557288101	/nfs/dbraw/zinc/28/81/01/557288101.db2.gz	CGHQCMZOVFCEKA-LGMDPLHJSA-N	-1	3	418.501	2.970	40	10		HFCBHM
O=C(NN1C(=O)/C(=C/[C@H]2C(=O)Nc3ccccc32)SC1=S)c1cccc([O-])c1	ZINC000005375960	557649052	/nfs/dbraw/zinc/64/90/52/557649052.db2.gz	UZWWILGFGGBPER-MLJKTZRHSA-N	-1	3	411.464	2.517	40	10		HFCBHM
CN(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000011859247	558289788	/nfs/dbraw/zinc/28/97/88/558289788.db2.gz	XNCQGBUYALYWMM-FRQCXROJSA-N	-1	3	407.392	2.857	40	10		HFCBHM
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccccc3[O-])C2=O)c1	ZINC000001240495	557250730	/nfs/dbraw/zinc/25/07/30/557250730.db2.gz	KWGPPQZZMPWZPL-MHWRWJLKSA-N	-1	3	416.480	2.956	40	10		HFCBHM
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3cccc([O-])c3)C2=O)c1	ZINC000001251286	557251831	/nfs/dbraw/zinc/25/18/31/557251831.db2.gz	FGRKNUITDIKUOP-MHWRWJLKSA-N	-1	3	416.480	2.956	40	10		HFCBHM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C	ZINC000101123681	559167440	/nfs/dbraw/zinc/16/74/40/559167440.db2.gz	FBOPVYTXIOZRKB-FOWTUZBSSA-N	-1	3	422.464	2.801	40	10		HFCBHM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C	ZINC000101123620	559167444	/nfs/dbraw/zinc/16/74/44/559167444.db2.gz	QGZFSAVTNDFGTR-GHRIWEEISA-N	-1	3	418.501	2.970	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)S1	ZINC000409082294	560673988	/nfs/dbraw/zinc/67/39/88/560673988.db2.gz	PRMSDNIFAMSYCP-WJDWOHSUSA-N	-1	3	402.453	2.561	40	10		HFCBHM
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[O-])C2=O)c1OC	ZINC000001236989	557250720	/nfs/dbraw/zinc/25/07/20/557250720.db2.gz	OEDRZBWUNRSDGN-XNTDXEJSSA-N	-1	3	416.480	2.956	40	10		HFCBHM
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)CC2)cc1	ZINC000020459596	558372001	/nfs/dbraw/zinc/37/20/01/558372001.db2.gz	KVCUTFYIQORFEQ-UHFFFAOYSA-N	-1	3	423.922	2.683	40	10		HFCBHM
COc1cc(OC)c([C@H](c2cc3c(cc2[O-])OCO3)N2CCOCC2)c(OC)c1	ZINC000031438674	558750551	/nfs/dbraw/zinc/75/05/51/558750551.db2.gz	CURGVCDXVHAOOH-NRFANRHFSA-N	-1	3	403.431	2.568	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)S1	ZINC000408763211	560629415	/nfs/dbraw/zinc/62/94/15/560629415.db2.gz	RRGOSJRZUXQDJR-YBEGLDIGSA-N	-1	3	411.395	2.920	40	10		HFCBHM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21	ZINC000004558323	560897959	/nfs/dbraw/zinc/89/79/59/560897959.db2.gz	VCKVUEVUZHRPNV-AZXNSQLWSA-N	-1	3	416.433	2.839	40	10		HFCBHM
CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cc(OC)c([O-])c(OC)c3)S2)CC1	ZINC000009188897	557826447	/nfs/dbraw/zinc/82/64/47/557826447.db2.gz	MTJAUHLMKBOSGD-WJDWOHSUSA-N	-1	3	420.487	2.655	40	10		HFCBHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(N4CCCC4)cc2)C3)C[C@@H](C)O1	ZINC000072347288	558944258	/nfs/dbraw/zinc/94/42/58/558944258.db2.gz	OKZHUIUIGIUKAK-QZTJIDSGSA-N	-1	3	423.561	2.954	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)S1	ZINC000409091363	560675367	/nfs/dbraw/zinc/67/53/67/560675367.db2.gz	PSLSSYXTVRMSGI-GZTJUZNOSA-N	-1	3	416.480	2.869	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCc1cccs1	ZINC000017089826	560864654	/nfs/dbraw/zinc/86/46/54/560864654.db2.gz	CQYSWLQREMEOIY-PDGQHHTCSA-N	-1	3	414.443	2.986	40	10		HFCBHM
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1[O-]	ZINC000409351181	560713790	/nfs/dbraw/zinc/71/37/90/560713790.db2.gz	ZXWUFHHVPGBBTQ-UITAMQMPSA-N	-1	3	407.254	2.836	40	10		HFCBHM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21	ZINC000019831478	569430888	/nfs/dbraw/zinc/43/08/88/569430888.db2.gz	VCKVUEVUZHRPNV-CMCWBKRRSA-N	-1	3	416.433	2.839	40	10		HFCBHM
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000408586194	557489934	/nfs/dbraw/zinc/48/99/34/557489934.db2.gz	LURWPKWQFMOCEQ-UVTDQMKNSA-N	-1	3	410.264	2.864	40	10		HFCBHM
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(=O)[n-]c(-c2ccncc2)n1	ZINC000019458477	558892686	/nfs/dbraw/zinc/89/26/86/558892686.db2.gz	GXTSADQHLNFFNK-HNNXBMFYSA-N	-1	3	409.465	2.658	40	10		HFCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)S1	ZINC000409083327	560674052	/nfs/dbraw/zinc/67/40/52/560674052.db2.gz	VETJIPBTKRBICJ-LFIBNONCSA-N	-1	3	402.453	2.561	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2ccc(OC)cc2)c(=O)c1=C(C)NCCCOC(C)C	ZINC000017082662	560862133	/nfs/dbraw/zinc/86/21/33/560862133.db2.gz	QFTIXHVXLOLEKC-HKWRFOASSA-N	-1	3	403.479	2.640	40	10		HFCBHM
COCc1c([O-])cc(C)c(C(=O)OC)c1Oc1c(C)c2c(c(O)c1[O-])C(=O)OC2	ZINC000031163398	291222317	/nfs/dbraw/zinc/22/23/17/291222317.db2.gz	PDYOVCZPTAOFNW-UHFFFAOYSA-N	-1	3	404.371	2.816	40	10	biogenic,in-vitro	HFCBHM
COCc1c([O-])cc(C)c(C(=O)OC)c1Oc1c(C)c2c(c(O)c1O)C(=O)OC2	ZINC000031163398	291222318	/nfs/dbraw/zinc/22/23/18/291222318.db2.gz	PDYOVCZPTAOFNW-UHFFFAOYSA-N	-1	3	404.371	2.816	40	10	biogenic,in-vitro	HFCBHM
COc1ccc(OC)c(/C=C2/SC(=S)N(NC(=O)c3ccc([O-])cc3)C2=O)c1	ZINC000001301649	557254337	/nfs/dbraw/zinc/25/43/37/557254337.db2.gz	GFAQEWLGZRPEMR-MHWRWJLKSA-N	-1	3	416.480	2.956	40	10		HFCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCc1ccccc1	ZINC000017087880	560862956	/nfs/dbraw/zinc/86/29/56/560862956.db2.gz	NNKITDGXUHHWOW-ZHZULCJRSA-N	-1	3	408.414	2.924	40	10		HFCBHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21	ZINC000019831480	569430902	/nfs/dbraw/zinc/43/09/02/569430902.db2.gz	VCKVUEVUZHRPNV-VKDGWMQASA-N	-1	3	416.433	2.839	40	10		HFCBHM
O=Cc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000008870224	557812703	/nfs/dbraw/zinc/81/27/03/557812703.db2.gz	JESAKOVEGSVKOE-DHDCSXOGSA-N	-1	3	413.436	2.954	40	10		HFCBHM
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[N-]C3=NCCS3)C2=O)cc1	ZINC000004159117	557521447	/nfs/dbraw/zinc/52/14/47/557521447.db2.gz	LCCJLMVSQAVMDC-LCYFTJDESA-N	-1	3	407.542	2.506	40	10		HFCBHM
CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000004914375	557613440	/nfs/dbraw/zinc/61/34/40/557613440.db2.gz	TUEYWNKNHRPXFU-CYBMUJFWSA-N	-1	3	406.460	2.508	40	10		HFCBHM
CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000408601776	557522148	/nfs/dbraw/zinc/52/21/48/557522148.db2.gz	HFKZYTMWQWROKA-AWEZNQCLSA-N	-1	3	420.487	2.756	40	10		HFCBHM
CCOCCCNC(C)=c1c(=O)n(-c2nc3ccccc3s2)[n-]c1=CC(=O)OC	ZINC000101842208	559148118	/nfs/dbraw/zinc/14/81/18/559148118.db2.gz	XSUHQAGPNDWVHC-QGOAFFKASA-N	-1	3	416.503	2.852	40	10		HFCBHM
COCCCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])C(C(=O)OC)=C1C	ZINC000006348217	560741083	/nfs/dbraw/zinc/74/10/83/560741083.db2.gz	NFCMFMGGOSILPJ-UVTDQMKNSA-N	-1	3	410.264	2.864	40	10		HFCBHM