smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccc(O)cc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000217488461	570942894	/nfs/dbraw/zinc/94/28/94/570942894.db2.gz	LLKJOPIIGSTDCN-LHUKNYEISA-N	-1	3	396.399	1.387	40	10		GDCBHM
COCCN1C(=O)[C@H]2[C@H](c3ccccc3[O-])NN(Cc3ccccc3)[C@@H]2C1=O	ZINC000019169516	570959519	/nfs/dbraw/zinc/95/95/19/570959519.db2.gz	GBPYHANSDUEAFK-FHWLQOOXSA-N	-1	3	381.432	1.454	40	10		GDCBHM
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4[O-])[NH2+][C@H](C(=O)[O-])[C@H]3C2=O)cc1C	ZINC000102782823	570292152	/nfs/dbraw/zinc/29/21/52/570292152.db2.gz	YIRAEHYUQGZMJL-XSLAGTTESA-N	-1	3	380.400	1.912	40	10		GDCBHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccc(O)cc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000015240106	570903965	/nfs/dbraw/zinc/90/39/65/570903965.db2.gz	LLKJOPIIGSTDCN-WCLQXYBISA-N	-1	3	396.399	1.387	40	10		GDCBHM
CCN1C(=O)[C@H]2[C@H](c3ccccc3[O-])[NH2+][C@@](CCSC)(C(=O)[O-])[C@@H]2C1=O	ZINC000004547006	204052211	/nfs/dbraw/zinc/05/22/11/204052211.db2.gz	GPLDLWKDASQXAC-KHSSZTOVSA-N	-1	3	378.450	1.234	40	10		GDCBHM
O=C1c2c([O-])ccc(O)c2C(=O)c2c(NCCCO)ccc(NCCCO)c21	ZINC000005386603	204129972	/nfs/dbraw/zinc/12/99/72/204129972.db2.gz	ULZLBOZWNXBPRY-UHFFFAOYSA-N	-1	3	386.404	1.462	40	10		GDCBHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN21	ZINC000103120577	206222140	/nfs/dbraw/zinc/22/21/40/206222140.db2.gz	NUJPOYJDMNPENS-NXHHHXCLSA-N	-1	3	399.432	1.260	40	10		GDCBHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)cc1	ZINC000010113407	204330273	/nfs/dbraw/zinc/33/02/73/204330273.db2.gz	JINKOAUKCRIXQV-UHFFFAOYSA-N	-1	3	377.422	1.910	40	10		GDCBHM
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1[O-])[NH2+][C@@]2(CCSC)C(=O)[O-]	ZINC000022027828	570778592	/nfs/dbraw/zinc/77/85/92/570778592.db2.gz	GPLDLWKDASQXAC-UYAYXHRUSA-N	-1	3	378.450	1.234	40	10		GDCBHM
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c([O-])cccc1C3=O	ZINC000003850719	560190259	/nfs/dbraw/zinc/19/02/59/560190259.db2.gz	WCKNDRCJQZCZLO-LBJGKRIESA-N	-1	3	398.367	1.318	40	10	in-vitro	GDCBHM
CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](CCSC)(C(=O)[O-])[NH2+][C@@H]2c1ccccc1[O-]	ZINC000004547012	204052628	/nfs/dbraw/zinc/05/26/28/204052628.db2.gz	GPLDLWKDASQXAC-KYZVSKTDSA-N	-1	3	378.450	1.234	40	10		GDCBHM
O=C([O-])[C@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000013571669	570850879	/nfs/dbraw/zinc/85/08/79/570850879.db2.gz	DIZRQBLJHWWHFM-JONQDZQNSA-N	-1	3	386.791	1.949	40	10		GDCBHM
COCCCNC(C)=c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1=CC(=O)OC	ZINC000017079602	570918202	/nfs/dbraw/zinc/91/82/02/570918202.db2.gz	SGUOSVLBTQADCL-ATVHPVEESA-N	-1	3	390.396	1.761	40	10		GDCBHM
CN(CCO)c1ccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1	ZINC000019586130	571015837	/nfs/dbraw/zinc/01/58/37/571015837.db2.gz	HZFUABFENQPKHJ-UHFFFAOYSA-N	-1	3	391.475	1.819	40	10		GDCBHM
COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4[O-])[NH2+][C@H](C(=O)[O-])[C@@H]3C2=O)cc1	ZINC000005267411	204123203	/nfs/dbraw/zinc/12/32/03/204123203.db2.gz	RKASGSICDORJRU-NCOADZHNSA-N	-1	3	382.372	1.304	40	10		GDCBHM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1OCC(=O)N(C)C	ZINC000223246585	570452834	/nfs/dbraw/zinc/45/28/34/570452834.db2.gz	HYAJBBQLILSBEC-UHFFFAOYSA-N	-1	3	392.433	1.992	40	10		GDCBHM
COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)cc1	ZINC000035876664	570435024	/nfs/dbraw/zinc/43/50/24/570435024.db2.gz	RKASGSICDORJRU-HZMVEIRTSA-N	-1	3	382.372	1.304	40	10		GDCBHM
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2[O-])[NH2+][C@@H]3C(=O)[O-])cc1C	ZINC000005325425	204126208	/nfs/dbraw/zinc/12/62/08/204126208.db2.gz	YIRAEHYUQGZMJL-TVFCKZIOSA-N	-1	3	380.400	1.912	40	10		GDCBHM
COc1cccc([C@@H]2[NH2+][C@@](CC(C)C)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1[O-]	ZINC000004690231	570989885	/nfs/dbraw/zinc/98/98/85/570989885.db2.gz	VCAGUDYPSNEJRA-WFTHSTBKSA-N	-1	3	376.409	1.146	40	10		GDCBHM
C[C@H](CO)c1c([O-])c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](O)CC[C@]21C	ZINC000068601899	570800418	/nfs/dbraw/zinc/80/04/18/570800418.db2.gz	WELDYHIUYLPBNM-NNYJNKECSA-N	-1	3	378.421	1.719	40	10		GDCBHM
C[C@@H](CO)c1c([O-])c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](O)CC[C@]21C	ZINC000068601894	570800382	/nfs/dbraw/zinc/80/03/82/570800382.db2.gz	WELDYHIUYLPBNM-ZKUJUWIVSA-N	-1	3	378.421	1.719	40	10		GDCBHM
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](c4ccccc4[O-])[NH2+][C@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000102781160	570292205	/nfs/dbraw/zinc/29/22/05/570292205.db2.gz	XSEQTGXYRCJVEM-XSLAGTTESA-N	-1	3	380.400	1.912	40	10		GDCBHM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000408603423	529918085	/nfs/dbraw/zinc/91/80/85/529918085.db2.gz	JTTUDSBBNRCOIO-NSHDSACASA-N	-1	3	378.406	1.729	40	10		GDCBHM
CN1c2ccccc2/C(=C2/SC(=S)N([N-]C(=O)c3ccncc3)C2=O)C1=O	ZINC000001242702	206370481	/nfs/dbraw/zinc/37/04/81/206370481.db2.gz	JHBGOYQQUMBTAU-YPKPFQOOSA-N	-1	3	396.453	1.974	40	10		GDCBHM
O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000604381921	570352691	/nfs/dbraw/zinc/35/26/91/570352691.db2.gz	VJLFBTXWOTWXCS-HXUWFJFHSA-N	-1	3	393.487	1.803	40	10	biogenic,in-vitro	GDCBHM
O=C([O-])[C@@H]1[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000020548016	207203546	/nfs/dbraw/zinc/20/35/46/207203546.db2.gz	DIZRQBLJHWWHFM-YHUYYLMFSA-N	-1	3	386.791	1.949	40	10		GDCBHM
[O-]c1ccccc1CN1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290016	560030714	/nfs/dbraw/zinc/03/07/14/560030714.db2.gz	RFAPLAXLHUJRSU-VQTJNVASSA-N	-1	3	380.492	1.293	40	10	biogenic,in-vitro	GDCBHM
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2[O-])[NH2+][C@@H]3C(=O)[O-])cc1	ZINC000005267416	570251901	/nfs/dbraw/zinc/25/19/01/570251901.db2.gz	RKASGSICDORJRU-VQHPVUNQSA-N	-1	3	382.372	1.304	40	10		GDCBHM
COCCN1C(=O)[C@H]2[C@@H](c3ccccc3[O-])NN(Cc3ccccc3)[C@@H]2C1=O	ZINC000019169519	207106642	/nfs/dbraw/zinc/10/66/42/207106642.db2.gz	GBPYHANSDUEAFK-OTWHNJEPSA-N	-1	3	381.432	1.454	40	10		GDCBHM
COC(=O)c1ccc(N=Cc2c(C)[n-]n([C@H]3CCS(=O)(=O)C3)c2=O)cc1	ZINC000013681162	208786737	/nfs/dbraw/zinc/78/67/37/208786737.db2.gz	YKZFBEAQINQOPR-BUYRESAOSA-N	-1	3	377.422	1.174	40	10		GDCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCCO	ZINC000017076920	570916394	/nfs/dbraw/zinc/91/63/94/570916394.db2.gz	JDCOCYPKHZQEAE-WJDWOHSUSA-N	-1	3	376.369	1.107	40	10		GDCBHM
CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000223305760	570457528	/nfs/dbraw/zinc/45/75/28/570457528.db2.gz	FJQIQZBZSYWVES-UHFFFAOYSA-N	-1	3	378.406	1.683	40	10		GDCBHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000004558320	570384723	/nfs/dbraw/zinc/38/47/23/570384723.db2.gz	LLKJOPIIGSTDCN-IAGYGMIVSA-N	-1	3	396.399	1.387	40	10		GDCBHM
O=C([O-])[C@@H]1[NH2+][C@@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000005324423	570253186	/nfs/dbraw/zinc/25/31/86/570253186.db2.gz	DIZRQBLJHWWHFM-FXUDXRNXSA-N	-1	3	386.791	1.949	40	10		GDCBHM
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)cc1C	ZINC000102782819	570292180	/nfs/dbraw/zinc/29/21/80/570292180.db2.gz	YIRAEHYUQGZMJL-FJIDUMEYSA-N	-1	3	380.400	1.912	40	10		GDCBHM
Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@@H](c4ccccc4[O-])[C@H]3C2=O)c1	ZINC000013556913	570656973	/nfs/dbraw/zinc/65/69/73/570656973.db2.gz	XSEQTGXYRCJVEM-MHORFTMASA-N	-1	3	380.400	1.912	40	10		GDCBHM
COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@@H](c4ccccc4[O-])[C@H]3C2=O)cc1	ZINC000013555844	210066719	/nfs/dbraw/zinc/06/67/19/210066719.db2.gz	RKASGSICDORJRU-YVSFHVDLSA-N	-1	3	382.372	1.304	40	10		GDCBHM
COCCNC(C)=c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1=CC(=O)OC	ZINC000017076921	570916474	/nfs/dbraw/zinc/91/64/74/570916474.db2.gz	LLWYMHVTAVCTMJ-WJDWOHSUSA-N	-1	3	376.369	1.371	40	10		GDCBHM
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2[O-])[NH2+][C@@H]3C(=O)[O-])c1	ZINC000005306958	570252590	/nfs/dbraw/zinc/25/25/90/570252590.db2.gz	XSEQTGXYRCJVEM-TVFCKZIOSA-N	-1	3	380.400	1.912	40	10		GDCBHM
Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)cc1C	ZINC000035877098	570435082	/nfs/dbraw/zinc/43/50/82/570435082.db2.gz	YIRAEHYUQGZMJL-MLHJIOFPSA-N	-1	3	380.400	1.912	40	10		GDCBHM
CN1CCN(c2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000216941378	536421194	/nfs/dbraw/zinc/42/11/94/536421194.db2.gz	NCFOWMOGWLNJFK-UHFFFAOYSA-N	-1	3	390.465	1.825	40	10		GDCBHM
COC(=O)C=c1[n-]n(-c2ccc(F)cc2)c(=O)c1=C(C)NCC(OC)OC	ZINC000017077530	570916946	/nfs/dbraw/zinc/91/69/46/570916946.db2.gz	QJIBMWGSSBCFJR-BOPFTXTBSA-N	-1	3	379.388	1.574	40	10		GDCBHM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000408603422	529895310	/nfs/dbraw/zinc/89/53/10/529895310.db2.gz	JTTUDSBBNRCOIO-LLVKDONJSA-N	-1	3	378.406	1.729	40	10		GDCBHM
CC(C)C[NH+](Cc1c(-c2ccccc2[O-])[n-]n(C(=O)C(N)=O)c1=O)CC(C)C	ZINC000025585286	570416390	/nfs/dbraw/zinc/41/63/90/570416390.db2.gz	PKFOOWNRHPBGEZ-OAHLLOKOSA-N	-1	3	388.468	1.181	40	10		GDCBHM
CN(CCO)c1ccc(CN2CCc3c(=O)[n-]c(N4CCOCC4)nc3C2)cc1	ZINC000019586136	210273656	/nfs/dbraw/zinc/27/36/56/210273656.db2.gz	AKCVAIVTPHCPFS-UHFFFAOYSA-N	-1	3	399.495	1.006	40	10		GDCBHM
CN1CCCc2cc(CN3CCc4c(nc(N5CCOCC5)[n-]c4=O)C3)ccc21	ZINC000019589310	210272114	/nfs/dbraw/zinc/27/21/14/210272114.db2.gz	PDHQFGNTTDICFD-UHFFFAOYSA-N	-1	3	395.507	1.960	40	10		GDCBHM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000004558319	570384794	/nfs/dbraw/zinc/38/47/94/570384794.db2.gz	LLKJOPIIGSTDCN-NWZZKEMCSA-N	-1	3	396.399	1.387	40	10		GDCBHM
CCC(NN1CCOCC1)=c1c(=O)n(-c2ccc(F)cc2)[n-]c1=CC(=O)OC	ZINC000019894233	210307306	/nfs/dbraw/zinc/30/73/06/210307306.db2.gz	LOBOJGLWHMKGGH-OBGWFSINSA-N	-1	3	390.415	1.592	40	10		GDCBHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000022063068	570303913	/nfs/dbraw/zinc/30/39/13/570303913.db2.gz	LLKJOPIIGSTDCN-DLRJPAPCSA-N	-1	3	396.399	1.387	40	10		GDCBHM
Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)c1	ZINC000035876875	570435152	/nfs/dbraw/zinc/43/51/52/570435152.db2.gz	XSEQTGXYRCJVEM-MLHJIOFPSA-N	-1	3	380.400	1.912	40	10		GDCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(N)=O)S1	ZINC000408529071	526697276	/nfs/dbraw/zinc/69/72/76/526697276.db2.gz	GZDRGRUPCCIIKA-WZUFQYTHSA-N	-1	3	398.238	1.420	40	10		GDCBHM
Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)[O-])[NH2+][C@@H](c4ccccc4[O-])[C@H]3C2=O)cc1C	ZINC000013571900	210068445	/nfs/dbraw/zinc/06/84/45/210068445.db2.gz	YIRAEHYUQGZMJL-MHORFTMASA-N	-1	3	380.400	1.912	40	10		GDCBHM
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)c1	ZINC000102781155	211415139	/nfs/dbraw/zinc/41/51/39/211415139.db2.gz	XSEQTGXYRCJVEM-FJIDUMEYSA-N	-1	3	380.400	1.912	40	10		GDCBHM
Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4[O-])[NH2+][C@H](C(=O)[O-])[C@@H]3C2=O)cc1C	ZINC000005325418	570253230	/nfs/dbraw/zinc/25/32/30/570253230.db2.gz	YIRAEHYUQGZMJL-BDXSIMOUSA-N	-1	3	380.400	1.912	40	10		GDCBHM
O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2	ZINC000072347223	136168723	/nfs/dbraw/zinc/16/87/23/136168723.db2.gz	QGVZQTOMTCUTNH-UHFFFAOYSA-N	-1	3	395.507	1.765	40	10		GDCBHM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000022063064	570303891	/nfs/dbraw/zinc/30/38/91/570303891.db2.gz	LLKJOPIIGSTDCN-GRXQJBFDSA-N	-1	3	396.399	1.387	40	10		GDCBHM
CN1C(=O)C(=Cc2ccc([O-])c(I)c2)C(=O)N(C)C1=O	ZINC000408961216	530039979	/nfs/dbraw/zinc/03/99/79/530039979.db2.gz	BKNCLGICESCIOI-UHFFFAOYSA-N	-1	3	386.145	1.431	40	10		GDCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O	ZINC000004991177	560200374	/nfs/dbraw/zinc/20/03/74/560200374.db2.gz	YOFDHOWPGULAQF-MQJDWESPSA-N	-1	3	398.367	1.182	40	10	in-vitro	GDCBHM
COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)cc1	ZINC000102779680	570292162	/nfs/dbraw/zinc/29/21/62/570292162.db2.gz	RKASGSICDORJRU-YLFCFFPRSA-N	-1	3	382.372	1.304	40	10		GDCBHM
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1[O-]	ZINC000003570199	530535296	/nfs/dbraw/zinc/53/52/96/530535296.db2.gz	YLRJDPWJAIFGBF-UHFFFAOYSA-N	-1	3	383.198	1.987	40	10		GDCBHM
[O-]c1ccccc1CN1CC2(C1)CN(Cc1cccnc1)C[C@H]1C[C@@H](O)CN12	ZINC000514290018	560030624	/nfs/dbraw/zinc/03/06/24/560030624.db2.gz	RFAPLAXLHUJRSU-WOJBJXKFSA-N	-1	3	380.492	1.293	40	10	biogenic,in-vitro	GDCBHM
CC(C)C[NH+](Cc1c(-c2ccccc2[O-])[n-]n(C(=O)C(N)=O)c1=O)CC(C)C	ZINC000005497830	570442671	/nfs/dbraw/zinc/44/26/71/570442671.db2.gz	PKFOOWNRHPBGEZ-HNNXBMFYSA-N	-1	3	388.468	1.181	40	10		GDCBHM
Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccccc4[O-])[NH2+][C@H](C(=O)[O-])[C@@H]3C2=O)c1	ZINC000005306936	570252659	/nfs/dbraw/zinc/25/26/59/570252659.db2.gz	XSEQTGXYRCJVEM-BDXSIMOUSA-N	-1	3	380.400	1.912	40	10		GDCBHM
O=C([O-])[C@H]1[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000013571667	221274842	/nfs/dbraw/zinc/27/48/42/221274842.db2.gz	DIZRQBLJHWWHFM-VGWMRTNUSA-N	-1	3	386.791	1.949	40	10		GDCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OCC(N)=O)c(Br)c2)S1	ZINC000408533180	526697233	/nfs/dbraw/zinc/69/72/33/526697233.db2.gz	XLCFERCQZLKUBX-WZUFQYTHSA-N	-1	3	398.238	1.420	40	10		GDCBHM
CCN(CC)c1ccc(C[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000223472054	531029202	/nfs/dbraw/zinc/02/92/02/531029202.db2.gz	IFOOZPCNXWDGFW-UHFFFAOYSA-N	-1	3	383.499	1.821	40	10		GDCBHM