smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O	ZINC000408528555	555719385	/nfs/dbraw/zinc/71/93/85/555719385.db2.gz	BNAIFBXLJCWASG-GFCCVEGCSA-N	0	2	446.257	3.068	40	30		IGEBLN
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC	ZINC000408566809	555910062	/nfs/dbraw/zinc/91/00/62/555910062.db2.gz	OVSKRIWSKUQWAP-JWMZNBFRSA-N	0	2	447.491	3.152	40	30		IGEBLN
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC	ZINC000408566811	555910118	/nfs/dbraw/zinc/91/01/18/555910118.db2.gz	OVSKRIWSKUQWAP-UUMRBEHKSA-N	0	2	447.491	3.152	40	30		IGEBLN
CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3)C(=O)N2CC)cc1	ZINC000016754801	556639071	/nfs/dbraw/zinc/63/90/71/556639071.db2.gz	YXWXFWJDAXQPKU-QCLNCQLRSA-N	0	2	445.566	3.286	40	30		IGEBLN
C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC	ZINC000408807961	556861261	/nfs/dbraw/zinc/86/12/61/556861261.db2.gz	PJSNPBYHRCVMJF-MHWRWJLKSA-N	0	2	440.839	3.123	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC	ZINC000408858042	556871178	/nfs/dbraw/zinc/87/11/78/556871178.db2.gz	RMELXEJUSCEIRP-DEDYPNTBSA-N	0	2	448.475	3.250	40	30		IGEBLN
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408535620	555764303	/nfs/dbraw/zinc/76/43/03/555764303.db2.gz	OHLOZSRSVXOJDD-AWEZNQCLSA-N	0	2	445.229	3.267	40	30		IGEBLN
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000408815612	556863156	/nfs/dbraw/zinc/86/31/56/556863156.db2.gz	XJPJPYZXJVVEDC-OQLLNIDSSA-N	0	2	427.800	3.479	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC	ZINC000409070171	556944561	/nfs/dbraw/zinc/94/45/61/556944561.db2.gz	KYQMWWVDQJBSOG-LICLKQGHSA-N	0	2	437.408	3.007	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)cc1	ZINC000408538276	555777663	/nfs/dbraw/zinc/77/76/63/555777663.db2.gz	ZVMFECUWMWGIGI-CYBMUJFWSA-N	0	2	447.232	3.201	40	30		IGEBLN
CCCCNC(O)=NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000002889848	555859405	/nfs/dbraw/zinc/85/94/05/555859405.db2.gz	HFEFXIANRULXOU-UHFFFAOYSA-N	0	2	434.474	3.148	40	30		IGEBLN
C#CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O	ZINC000408896712	556881231	/nfs/dbraw/zinc/88/12/31/556881231.db2.gz	HODMKDYVRVZBFZ-VBKFSLOCSA-N	0	2	439.265	3.436	40	30		IGEBLN
CC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(I)cc2)S1	ZINC000021862190	521898265	/nfs/dbraw/zinc/89/82/65/521898265.db2.gz	JBARAROFEAKYDK-SKDRFNHKSA-N	0	2	431.299	3.006	40	30		IGEBLN
CC[C@@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S1	ZINC000021862190	521898287	/nfs/dbraw/zinc/89/82/87/521898287.db2.gz	JBARAROFEAKYDK-SKDRFNHKSA-N	0	2	431.299	3.006	40	30		IGEBLN
Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	ZINC000408536965	555767215	/nfs/dbraw/zinc/76/72/15/555767215.db2.gz	UECBKJYLZSXQNE-HNNXBMFYSA-N	0	2	447.232	3.201	40	30		IGEBLN
COC(=O)c1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000408536391	555771572	/nfs/dbraw/zinc/77/15/72/555771572.db2.gz	RFPFKWUTFTXDRI-CQSZACIVSA-N	0	2	433.342	3.094	40	30		IGEBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(I)c3)C2=O)c1	ZINC000408536581	555772976	/nfs/dbraw/zinc/77/29/76/555772976.db2.gz	SDLMYGUDSURSEP-OAHLLOKOSA-N	0	2	447.232	3.201	40	30		IGEBLN
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC	ZINC000408566808	555910085	/nfs/dbraw/zinc/91/00/85/555910085.db2.gz	OVSKRIWSKUQWAP-JECRDHHXSA-N	0	2	447.491	3.152	40	30		IGEBLN
O=C(CC1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016739670	556634226	/nfs/dbraw/zinc/63/42/26/556634226.db2.gz	OPGDDHPTYFNHIV-IXJMWADBSA-N	0	2	431.861	3.199	40	30		IGEBLN
O=C(C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016739670	556634227	/nfs/dbraw/zinc/63/42/27/556634227.db2.gz	OPGDDHPTYFNHIV-IXJMWADBSA-N	0	2	431.861	3.199	40	30		IGEBLN
C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1	ZINC000408898912	556883631	/nfs/dbraw/zinc/88/36/31/556883631.db2.gz	NEPFKUMKWFYFSP-ATVHPVEESA-N	0	2	439.265	3.436	40	30		IGEBLN
COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000408530730	555725734	/nfs/dbraw/zinc/72/57/34/555725734.db2.gz	FRNIBLPMWHYWBT-CQSZACIVSA-N	0	2	435.358	3.324	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000408534189	555750178	/nfs/dbraw/zinc/75/01/78/555750178.db2.gz	LQDAPDNYBNPCET-LLVKDONJSA-N	0	2	434.221	3.198	40	30		IGEBLN
C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408814315	556865322	/nfs/dbraw/zinc/86/53/22/556865322.db2.gz	OXRFHUPXOBVILX-FOWTUZBSSA-N	0	2	425.238	3.128	40	30		IGEBLN
C#CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000408875341	556875318	/nfs/dbraw/zinc/87/53/18/556875318.db2.gz	JQLVJWGGAOGKNC-KAMYIIQDSA-N	0	2	443.228	3.267	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408530860	555726337	/nfs/dbraw/zinc/72/63/37/555726337.db2.gz	FYCRSSFRHHHMLT-AWEZNQCLSA-N	0	2	430.258	3.368	40	30		IGEBLN
C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC	ZINC000408563361	555892074	/nfs/dbraw/zinc/89/20/74/555892074.db2.gz	AGINWBHBQYABIW-ZFIHGSKBSA-N	0	2	435.480	3.315	40	30		IGEBLN
C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408940004	556896368	/nfs/dbraw/zinc/89/63/68/556896368.db2.gz	NIFWVWSQXTYVJC-LFIBNONCSA-N	0	2	427.800	3.479	40	30		IGEBLN
C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000409076108	556944014	/nfs/dbraw/zinc/94/40/14/556944014.db2.gz	XVZFVYVFPFVTEX-XSFVSMFZSA-N	0	2	446.459	3.111	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000408527904	555724428	/nfs/dbraw/zinc/72/44/28/555724428.db2.gz	AIESRAYKNKFVLO-CYBMUJFWSA-N	0	2	430.258	3.368	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)cc1	ZINC000408537883	555782896	/nfs/dbraw/zinc/78/28/96/555782896.db2.gz	XXKYTEIJQZASRK-HNNXBMFYSA-N	0	2	447.232	3.201	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)OC	ZINC000408783944	556855366	/nfs/dbraw/zinc/85/53/66/556855366.db2.gz	QXHFYYAILUDBBU-DEDYPNTBSA-N	0	2	448.475	3.250	40	30		IGEBLN
C#CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)cc2)C1=O	ZINC000408895987	556880887	/nfs/dbraw/zinc/88/08/87/556880887.db2.gz	GIKJTFVUIQHUCC-ZHZULCJRSA-N	0	2	434.448	3.162	40	30		IGEBLN
CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1OC	ZINC000033762612	569261879	/nfs/dbraw/zinc/26/18/79/569261879.db2.gz	UHZWHNFUINKGNZ-WMUKTUJZSA-N	0	2	447.538	3.469	40	30		IGEBLN
O=C1N=C(NN=C2S[C@H](C=C(O)c3ccccc3)C(=O)N2Cc2ccco2)CS1	ZINC000012580101	527186598	/nfs/dbraw/zinc/18/65/98/527186598.db2.gz	DYIIUZNCITVYSY-VGLIXDPASA-N	0	2	428.495	3.123	40	30		IGEBLN
Cc1cc(C)n(/N=C/c2cc(Br)cc(Br)c2O)c(=O)c1C#N	ZINC000095364752	556756544	/nfs/dbraw/zinc/75/65/44/556756544.db2.gz	BQVSPEAQCUEXBL-FBCYGCLPSA-N	0	2	425.080	3.450	40	30		IGEBLN
C#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408801670	556858560	/nfs/dbraw/zinc/85/85/60/556858560.db2.gz	VEAXMAIJMQGFGD-SFQUDFHCSA-N	0	2	439.265	3.436	40	30		IGEBLN
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	ZINC000408818305	556864492	/nfs/dbraw/zinc/86/44/92/556864492.db2.gz	VCJQPKCCNFPBPV-GZTJUZNOSA-N	0	2	437.408	3.225	40	30		IGEBLN
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)c1OC	ZINC000009561676	569297311	/nfs/dbraw/zinc/29/73/11/569297311.db2.gz	AGAXMOPIAIDUDE-CNPYVQQSSA-N	0	2	446.916	3.308	40	30		IGEBLN
COc1cccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)c1OC	ZINC000009561676	569297312	/nfs/dbraw/zinc/29/73/12/569297312.db2.gz	AGAXMOPIAIDUDE-CNPYVQQSSA-N	0	2	446.916	3.308	40	30		IGEBLN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000013086623	521483059	/nfs/dbraw/zinc/48/30/59/521483059.db2.gz	BRYRHMUJIQKAHY-FQEVSTJZSA-N	0	2	425.437	3.370	40	30		IGEBLN
C=CCOc1c(Cl)cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1OC	ZINC000408564681	555918056	/nfs/dbraw/zinc/91/80/56/555918056.db2.gz	DNZIDQZOHRAJIV-UPNLOYSTSA-N	0	2	443.887	3.435	40	30		IGEBLN
C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408776750	556847605	/nfs/dbraw/zinc/84/76/05/556847605.db2.gz	RASNVGXWUWGBNP-XSFVSMFZSA-N	0	2	430.460	3.411	40	30		IGEBLN
C#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000408805081	556860365	/nfs/dbraw/zinc/86/03/65/556860365.db2.gz	DISGLAILDUGNHE-FOWTUZBSSA-N	0	2	425.238	3.128	40	30		IGEBLN
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl	ZINC000408816788	556864007	/nfs/dbraw/zinc/86/40/07/556864007.db2.gz	VHCYOVDBVKMOLC-LFIBNONCSA-N	0	2	440.839	3.358	40	30		IGEBLN
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	ZINC000408936821	556895930	/nfs/dbraw/zinc/89/59/30/556895930.db2.gz	LBHOTXRQIDLHMQ-SFQUDFHCSA-N	0	2	437.408	3.225	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc(OC)c1OC	ZINC000409245722	557027331	/nfs/dbraw/zinc/02/73/31/557027331.db2.gz	YEENJRFMMFWCTH-GHRIWEEISA-N	0	2	436.464	3.497	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408533029	555745601	/nfs/dbraw/zinc/74/56/01/555745601.db2.gz	JCCFWOPHUMHFIT-AWEZNQCLSA-N	0	2	430.258	3.368	40	30		IGEBLN
C=CCOc1c(Cl)cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408564680	555918133	/nfs/dbraw/zinc/91/81/33/555918133.db2.gz	DNZIDQZOHRAJIV-PRPYNDMISA-N	0	2	443.887	3.435	40	30		IGEBLN
CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1OC	ZINC000136572977	556722682	/nfs/dbraw/zinc/72/26/82/556722682.db2.gz	UHZWHNFUINKGNZ-SVEGRRODSA-N	0	2	447.538	3.469	40	30		IGEBLN
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br	ZINC000408809563	556861838	/nfs/dbraw/zinc/86/18/38/556861838.db2.gz	OHMNTXOQYWXGOU-XNTDXEJSSA-N	0	2	443.253	3.386	40	30		IGEBLN
CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000409056628	556934150	/nfs/dbraw/zinc/93/41/50/556934150.db2.gz	NBYBOLDCYOZZKB-WJDWOHSUSA-N	0	2	440.433	3.162	40	30		IGEBLN
CN(C)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408534847	555755302	/nfs/dbraw/zinc/75/53/02/555755302.db2.gz	MQUKFLLSKDVQBH-INIZCTEOSA-N	0	2	429.274	3.117	40	30		IGEBLN
C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC	ZINC000408563348	555892061	/nfs/dbraw/zinc/89/20/61/555892061.db2.gz	AGINWBHBQYABIW-STCFVSJZSA-N	0	2	435.480	3.315	40	30		IGEBLN
O=C(CC1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016739672	556634201	/nfs/dbraw/zinc/63/42/01/556634201.db2.gz	OPGDDHPTYFNHIV-VYXQJKENSA-N	0	2	431.861	3.199	40	30		IGEBLN
O=C(C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016739672	556634204	/nfs/dbraw/zinc/63/42/04/556634204.db2.gz	OPGDDHPTYFNHIV-VYXQJKENSA-N	0	2	431.861	3.199	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OCC	ZINC000408786997	556856710	/nfs/dbraw/zinc/85/67/10/556856710.db2.gz	PMGVAGYAVBYEAK-XSFVSMFZSA-N	0	2	448.475	3.332	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000408527910	555724697	/nfs/dbraw/zinc/72/46/97/555724697.db2.gz	AIESRAYKNKFVLO-ZDUSSCGKSA-N	0	2	430.258	3.368	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccccc2F)C1=O	ZINC000408534190	555750213	/nfs/dbraw/zinc/75/02/13/555750213.db2.gz	LQDAPDNYBNPCET-NSHDSACASA-N	0	2	434.221	3.198	40	30		IGEBLN
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000408814659	556865315	/nfs/dbraw/zinc/86/53/15/556865315.db2.gz	VXUODJARCFZVMI-RVDMUPIBSA-N	0	2	425.238	3.128	40	30		IGEBLN
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(N2CCOCC2)cc1	ZINC000408962341	556901432	/nfs/dbraw/zinc/90/14/32/556901432.db2.gz	HOWYIGQLQDRKHJ-SBRLEDFTSA-N	0	2	440.481	3.371	40	30		IGEBLN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC#N	ZINC000408986541	556909568	/nfs/dbraw/zinc/90/95/68/556909568.db2.gz	MVKWWRZSURRUJZ-DHDCSXOGSA-N	0	2	425.828	3.226	40	30		IGEBLN
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)c1OC	ZINC000003374583	557527281	/nfs/dbraw/zinc/52/72/81/557527281.db2.gz	AGAXMOPIAIDUDE-RSFOSLOZSA-N	0	2	446.916	3.308	40	30		IGEBLN
COc1cccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)c1OC	ZINC000003374583	557527282	/nfs/dbraw/zinc/52/72/82/557527282.db2.gz	AGAXMOPIAIDUDE-RSFOSLOZSA-N	0	2	446.916	3.308	40	30		IGEBLN
C=CCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1	ZINC000002351264	519049320	/nfs/dbraw/zinc/04/93/20/519049320.db2.gz	YFERFOGTJPLYJI-DAYGRLMNSA-N	0	2	426.416	3.417	40	30		IGEBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)c1	ZINC000408530285	555726899	/nfs/dbraw/zinc/72/68/99/555726899.db2.gz	DVAXVHFWHSDHES-ZDUSSCGKSA-N	0	2	447.232	3.201	40	30		IGEBLN
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408802344	556859303	/nfs/dbraw/zinc/85/93/03/556859303.db2.gz	ZHNTWCBNPBPVIO-XSFVSMFZSA-N	0	2	441.399	3.426	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC	ZINC000409075854	556943854	/nfs/dbraw/zinc/94/38/54/556943854.db2.gz	USVVFJPVTVTBGB-GZTJUZNOSA-N	0	2	437.408	3.007	40	30		IGEBLN
O=C1ON=C(c2cccc(I)c2)/C1=C/c1cccc([N+](=O)[O-])c1O	ZINC000101662617	568848683	/nfs/dbraw/zinc/84/86/83/568848683.db2.gz	LYTAVWWTACQPSI-WQLSENKSSA-N	0	2	436.161	3.250	40	30		IGEBLN
Cc1ccc(NN=c2[nH]c3nonc3nc2NN=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1	ZINC000034719273	569261995	/nfs/dbraw/zinc/26/19/95/569261995.db2.gz	YSTXHKZMTQQPKQ-NHDPSOOVSA-N	0	2	448.447	3.180	40	30		IGEBLN
Cc1ccc(NN=c2[nH]c3nonc3nc2N=NCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1	ZINC000034719273	569261997	/nfs/dbraw/zinc/26/19/97/569261997.db2.gz	YSTXHKZMTQQPKQ-NHDPSOOVSA-N	0	2	448.447	3.180	40	30		IGEBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)c1	ZINC000408533815	555747901	/nfs/dbraw/zinc/74/79/01/555747901.db2.gz	KTMHWWVQQKTUBX-OAHLLOKOSA-N	0	2	447.232	3.201	40	30		IGEBLN
COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Br)ccc3OC)C2=O)cc1	ZINC000408534018	555749353	/nfs/dbraw/zinc/74/93/53/555749353.db2.gz	KTNKGUUGOHWMNX-AWEZNQCLSA-N	0	2	446.257	3.068	40	30		IGEBLN
Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	ZINC000408536966	555767284	/nfs/dbraw/zinc/76/72/84/555767284.db2.gz	UECBKJYLZSXQNE-OAHLLOKOSA-N	0	2	447.232	3.201	40	30		IGEBLN
Cc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c1	ZINC000408537875	555782932	/nfs/dbraw/zinc/78/29/32/555782932.db2.gz	XWACOGFDKPELTK-HNNXBMFYSA-N	0	2	447.232	3.201	40	30		IGEBLN
CCOC(=O)c1ccc(N=Cc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1	ZINC000016687803	556625655	/nfs/dbraw/zinc/62/56/55/556625655.db2.gz	OCWDEQAZUKYKBA-ZUSHJTOUSA-N	0	2	434.408	3.481	40	30		IGEBLN
C=CCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1	ZINC000008915427	568817511	/nfs/dbraw/zinc/81/75/11/568817511.db2.gz	YFERFOGTJPLYJI-RKVPGOIHSA-N	0	2	426.416	3.417	40	30		IGEBLN
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(S(=O)(=O)Nc3nccs3)cc1)OCO2	ZINC000101670164	568848886	/nfs/dbraw/zinc/84/88/86/568848886.db2.gz	WXNHJNAIWVEGBH-DJKKODMXSA-N	0	2	432.439	3.331	40	30		IGEBLN
COC(=O)c1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000408536389	555771623	/nfs/dbraw/zinc/77/16/23/555771623.db2.gz	RFPFKWUTFTXDRI-AWEZNQCLSA-N	0	2	433.342	3.094	40	30		IGEBLN
C#CCOc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl	ZINC000408565389	555907857	/nfs/dbraw/zinc/90/78/57/555907857.db2.gz	KFHAVQQAVYNMCO-NQAVQENRSA-N	0	2	437.883	3.407	40	30		IGEBLN
C=CCOc1c(Cl)cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1OC	ZINC000408564679	555918035	/nfs/dbraw/zinc/91/80/35/555918035.db2.gz	DNZIDQZOHRAJIV-OTPBECDQSA-N	0	2	443.887	3.435	40	30		IGEBLN
Nc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1	ZINC000032594674	556542157	/nfs/dbraw/zinc/54/21/57/556542157.db2.gz	NXLYJTVYBBQKGU-CJEGQJQSSA-N	0	2	435.431	3.238	40	30		IGEBLN
Nc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1	ZINC000032594674	556542161	/nfs/dbraw/zinc/54/21/61/556542161.db2.gz	NXLYJTVYBBQKGU-CJEGQJQSSA-N	0	2	435.431	3.238	40	30		IGEBLN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000005920419	556827694	/nfs/dbraw/zinc/82/76/94/556827694.db2.gz	YLSVIKVFWVTLHO-FQEVSTJZSA-N	0	2	425.437	3.370	40	30		IGEBLN
C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O	ZINC000408827773	556866408	/nfs/dbraw/zinc/86/64/08/556866408.db2.gz	MFTNZBLCZYSCQE-GXDHUFHOSA-N	0	2	440.839	3.036	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OC	ZINC000409074207	556946962	/nfs/dbraw/zinc/94/69/62/556946962.db2.gz	KYXIUVVKBAYXTA-CPNJWEJPSA-N	0	2	436.464	3.497	40	30		IGEBLN
O=C(ON1C(=O)CCC1=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc1-2	ZINC000100088454	557240255	/nfs/dbraw/zinc/24/02/55/557240255.db2.gz	VQTBINYMFPKLQD-UHFFFAOYSA-N	0	2	429.384	3.491	40	30		IGEBLN
COc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Br)ccc3OC)C2=O)c1	ZINC000408537739	555782623	/nfs/dbraw/zinc/78/26/23/555782623.db2.gz	WWZKVTWLGPGSLS-CQSZACIVSA-N	0	2	446.257	3.068	40	30		IGEBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(I)c2)C1=O	ZINC000408537880	555782951	/nfs/dbraw/zinc/78/29/51/555782951.db2.gz	XXKVWLJEPKEOJB-AWEZNQCLSA-N	0	2	447.232	3.201	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC#N	ZINC000408783571	556855298	/nfs/dbraw/zinc/85/52/98/556855298.db2.gz	OTZNIWRXWBKDJA-CPNJWEJPSA-N	0	2	431.448	3.301	40	30		IGEBLN
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Br	ZINC000014132819	557421625	/nfs/dbraw/zinc/42/16/25/557421625.db2.gz	AMAOWKAQWOFOMG-RVDMUPIBSA-N	0	2	439.265	3.436	40	30		IGEBLN
O=C1N=C(NN=C2S[C@@H](C=C(O)c3ccccc3)C(=O)N2Cc2ccco2)CS1	ZINC000012580093	527143633	/nfs/dbraw/zinc/14/36/33/527143633.db2.gz	DYIIUZNCITVYSY-YUCJCZDXSA-N	0	2	428.495	3.123	40	30		IGEBLN
O=C(C[C@H]1SC(=NN=Cc2ccccc2O)NC1=O)c1ccc(Br)cc1	ZINC000001454367	555700030	/nfs/dbraw/zinc/70/00/30/555700030.db2.gz	RJCXLBYBKPNTED-OVEPSTSESA-N	0	2	432.299	3.349	40	30		IGEBLN
O=C(CC1SC(=NN=Cc2ccccc2O)NC1=O)c1ccc(Br)cc1	ZINC000001454367	555700036	/nfs/dbraw/zinc/70/00/36/555700036.db2.gz	RJCXLBYBKPNTED-OVEPSTSESA-N	0	2	432.299	3.349	40	30		IGEBLN
COC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000408536187	555759622	/nfs/dbraw/zinc/75/96/22/555759622.db2.gz	QFAJZUCIUUVMST-HNNXBMFYSA-N	0	2	433.342	3.094	40	30		IGEBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(I)c3)C2=O)c1	ZINC000408536580	555772947	/nfs/dbraw/zinc/77/29/47/555772947.db2.gz	SDLMYGUDSURSEP-HNNXBMFYSA-N	0	2	447.232	3.201	40	30		IGEBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(I)c2)C1=O	ZINC000408537882	555782963	/nfs/dbraw/zinc/78/29/63/555782963.db2.gz	XXKVWLJEPKEOJB-CQSZACIVSA-N	0	2	447.232	3.201	40	30		IGEBLN
Brc1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCC3)[nH+]2)o1	ZINC000408728306	556163060	/nfs/dbraw/zinc/16/30/60/556163060.db2.gz	ZLTPKKXRIJSHLA-UDWIEESQSA-N	0	2	428.294	3.439	40	30		IGEBLN
O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Br)c(O)c(Br)c1	ZINC000409344621	557071856	/nfs/dbraw/zinc/07/18/56/557071856.db2.gz	HSOWSTAHPOJICX-UHFFFAOYSA-N	0	2	439.063	3.215	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(I)c3)C2=O)cc1	ZINC000408530783	555726289	/nfs/dbraw/zinc/72/62/89/555726289.db2.gz	FVAIGPZZIHVMRE-OAHLLOKOSA-N	0	2	447.232	3.201	40	30		IGEBLN
COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Br)ccc3OC)C2=O)cc1	ZINC000408534021	555749436	/nfs/dbraw/zinc/74/94/36/555749436.db2.gz	KTNKGUUGOHWMNX-CQSZACIVSA-N	0	2	446.257	3.068	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)cc1	ZINC000408537884	555782961	/nfs/dbraw/zinc/78/29/61/555782961.db2.gz	XXKYTEIJQZASRK-OAHLLOKOSA-N	0	2	447.232	3.201	40	30		IGEBLN
C=CCOc1c(Cl)cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408564678	555918129	/nfs/dbraw/zinc/91/81/29/555918129.db2.gz	DNZIDQZOHRAJIV-FSJXIACGSA-N	0	2	443.887	3.435	40	30		IGEBLN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N	ZINC000408767780	556830272	/nfs/dbraw/zinc/83/02/72/556830272.db2.gz	OCGXLQYAEMKVMY-LFIBNONCSA-N	0	2	425.828	3.307	40	30		IGEBLN
COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000408530714	555725797	/nfs/dbraw/zinc/72/57/97/555725797.db2.gz	FRNIBLPMWHYWBT-AWEZNQCLSA-N	0	2	435.358	3.324	40	30		IGEBLN
Cc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	ZINC000408536320	555760503	/nfs/dbraw/zinc/76/05/03/555760503.db2.gz	QVLKNPMRAFYTCX-AWEZNQCLSA-N	0	2	447.232	3.201	40	30		IGEBLN
Nc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1	ZINC000032594673	556542245	/nfs/dbraw/zinc/54/22/45/556542245.db2.gz	NXLYJTVYBBQKGU-BYXSLANXSA-N	0	2	435.431	3.238	40	30		IGEBLN
Nc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1	ZINC000032594673	556542249	/nfs/dbraw/zinc/54/22/49/556542249.db2.gz	NXLYJTVYBBQKGU-BYXSLANXSA-N	0	2	435.431	3.238	40	30		IGEBLN
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1	ZINC000408853804	556871313	/nfs/dbraw/zinc/87/13/13/556871313.db2.gz	SJALFXIZIASXHG-XMHGGMMESA-N	0	2	434.448	3.162	40	30		IGEBLN
CCCCCCCSC1=NC(=O)C2=c3ccccc3=NC(=C(O)c3ccccc3)N2N1	ZINC000588226357	557153200	/nfs/dbraw/zinc/15/32/00/557153200.db2.gz	UHIBRQZGOBRXPM-JOCHJYFZSA-N	0	2	434.565	3.043	40	30		IGEBLN
N=C1SC(=Cc2ccc(OCC(N)=O)c(Br)c2)C(O)=C1c1nccs1	ZINC000138246667	557153536	/nfs/dbraw/zinc/15/35/36/557153536.db2.gz	RKEBPQXIOHENKP-RTFIEPDPSA-N	0	2	438.328	3.188	40	30		IGEBLN
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3c(C)cccc3C)S2)cc1OC	ZINC000009540276	569297178	/nfs/dbraw/zinc/29/71/78/569297178.db2.gz	KTDGBIUBDFHIHE-KCDOPAPYSA-N	0	2	440.525	3.271	40	30		IGEBLN
COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3c(C)cccc3C)S2)cc1OC	ZINC000009540276	569297179	/nfs/dbraw/zinc/29/71/79/569297179.db2.gz	KTDGBIUBDFHIHE-KCDOPAPYSA-N	0	2	440.525	3.271	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O	ZINC000408528560	555719326	/nfs/dbraw/zinc/71/93/26/555719326.db2.gz	BNAIFBXLJCWASG-LBPRGKRZSA-N	0	2	446.257	3.068	40	30		IGEBLN
COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408536310	555760177	/nfs/dbraw/zinc/76/01/77/555760177.db2.gz	QTZKZBZJQQHPCL-CQSZACIVSA-N	0	2	446.257	3.068	40	30		IGEBLN
C#CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC	ZINC000408566810	555910030	/nfs/dbraw/zinc/91/00/30/555910030.db2.gz	OVSKRIWSKUQWAP-PJGWKRMOSA-N	0	2	447.491	3.152	40	30		IGEBLN
O=C(CC1S/C(=N\N=C/c2ccccc2)NC1=O)Nc1ccc(Br)cc1	ZINC000016711950	556630146	/nfs/dbraw/zinc/63/01/46/556630146.db2.gz	GVNMYDUTZACUMU-PFHZTYADSA-N	0	2	431.315	3.399	40	30		IGEBLN
O=C(C[C@@H]1S/C(=N\N=C/c2ccccc2)NC1=O)Nc1ccc(Br)cc1	ZINC000016711950	556630149	/nfs/dbraw/zinc/63/01/49/556630149.db2.gz	GVNMYDUTZACUMU-PFHZTYADSA-N	0	2	431.315	3.399	40	30		IGEBLN
C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000006906498	556840747	/nfs/dbraw/zinc/84/07/47/556840747.db2.gz	LCHYSSNEHNYSJN-OQLLNIDSSA-N	0	2	428.828	3.285	40	30		IGEBLN
CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000408928573	556893483	/nfs/dbraw/zinc/89/34/83/556893483.db2.gz	CSMIDNIBFAZXCC-VJGKAAADSA-N	0	2	440.481	3.371	40	30		IGEBLN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC#N)c(OC)c3)C2=O)cc1	ZINC000408985305	556909035	/nfs/dbraw/zinc/90/90/35/556909035.db2.gz	WKVFSEOQACKFKJ-YBEGLDIGSA-N	0	2	439.855	3.480	40	30		IGEBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2I)C1=O	ZINC000408531911	555735955	/nfs/dbraw/zinc/73/59/55/555735955.db2.gz	HMPTVEVGOGWEHR-GFCCVEGCSA-N	0	2	447.232	3.201	40	30		IGEBLN
CCOC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000408535748	555765009	/nfs/dbraw/zinc/76/50/09/555765009.db2.gz	OQODTUDLECAJBV-INIZCTEOSA-N	0	2	447.369	3.484	40	30		IGEBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(I)cc2)C1=O	ZINC000408537913	555782901	/nfs/dbraw/zinc/78/29/01/555782901.db2.gz	YAIUYDFMHHVBBL-CQSZACIVSA-N	0	2	447.232	3.201	40	30		IGEBLN
C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OC	ZINC000408893551	556879813	/nfs/dbraw/zinc/87/98/13/556879813.db2.gz	BCAQQLWZTFWXGW-RGEXLXHISA-N	0	2	434.448	3.162	40	30		IGEBLN
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC#N)cc3)C2=O)ccc1Br	ZINC000408754876	556237590	/nfs/dbraw/zinc/23/75/90/556237590.db2.gz	OVZCSIWZCOBTET-LFIBNONCSA-N	0	2	440.253	3.326	40	30		IGEBLN
O=C(CC1S/C(=N\N=C/c2ccccc2)NC1=O)Nc1ccc(Br)cc1	ZINC000016711954	556630152	/nfs/dbraw/zinc/63/01/52/556630152.db2.gz	GVNMYDUTZACUMU-UWOKGBPVSA-N	0	2	431.315	3.399	40	30		IGEBLN
O=C(C[C@H]1S/C(=N\N=C/c2ccccc2)NC1=O)Nc1ccc(Br)cc1	ZINC000016711954	556630154	/nfs/dbraw/zinc/63/01/54/556630154.db2.gz	GVNMYDUTZACUMU-UWOKGBPVSA-N	0	2	431.315	3.399	40	30		IGEBLN
CCCCCCCSC1=NC(=O)C2=c3ccccc3=NC(=C(O)c3ccccc3)N2N1	ZINC000588226359	557153190	/nfs/dbraw/zinc/15/31/90/557153190.db2.gz	UHIBRQZGOBRXPM-QFIPXVFZSA-N	0	2	434.565	3.043	40	30		IGEBLN
N=C1SC(=Cc2ccc(OCC(N)=O)c(Br)c2)C(O)=C1c1nccs1	ZINC000107674251	569262275	/nfs/dbraw/zinc/26/22/75/569262275.db2.gz	RKEBPQXIOHENKP-WRLIKSBBSA-N	0	2	438.328	3.188	40	30		IGEBLN
CC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(I)cc2)S1	ZINC000021862183	521900261	/nfs/dbraw/zinc/90/02/61/521900261.db2.gz	JBARAROFEAKYDK-BXKDBHETSA-N	0	2	431.299	3.006	40	30		IGEBLN
CC[C@@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)S1	ZINC000021862183	521900270	/nfs/dbraw/zinc/90/02/70/521900270.db2.gz	JBARAROFEAKYDK-BXKDBHETSA-N	0	2	431.299	3.006	40	30		IGEBLN
Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408535623	555764450	/nfs/dbraw/zinc/76/44/50/555764450.db2.gz	OHLOZSRSVXOJDD-CQSZACIVSA-N	0	2	445.229	3.267	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)cc1	ZINC000408538277	555777706	/nfs/dbraw/zinc/77/77/06/555777706.db2.gz	ZVMFECUWMWGIGI-ZDUSSCGKSA-N	0	2	447.232	3.201	40	30		IGEBLN
C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408819878	556865785	/nfs/dbraw/zinc/86/57/85/556865785.db2.gz	YQIQQIWBKFBNBD-MHWRWJLKSA-N	0	2	427.800	3.479	40	30		IGEBLN
C#CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	ZINC000408899791	556882070	/nfs/dbraw/zinc/88/20/70/556882070.db2.gz	QIELXKLKTVSUER-VBKFSLOCSA-N	0	2	439.265	3.436	40	30		IGEBLN
N#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	ZINC000408911654	556888511	/nfs/dbraw/zinc/88/85/11/556888511.db2.gz	BFIJACCCGBMNAO-OQLLNIDSSA-N	0	2	444.216	3.157	40	30		IGEBLN
C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000409062890	556940434	/nfs/dbraw/zinc/94/04/34/556940434.db2.gz	CKUNFCJSPCKBGB-CPNJWEJPSA-N	0	2	434.448	3.361	40	30		IGEBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)c1	ZINC000408530283	555727026	/nfs/dbraw/zinc/72/70/26/555727026.db2.gz	DVAXVHFWHSDHES-CYBMUJFWSA-N	0	2	447.232	3.201	40	30		IGEBLN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)c1	ZINC000408533814	555747921	/nfs/dbraw/zinc/74/79/21/555747921.db2.gz	KTMHWWVQQKTUBX-HNNXBMFYSA-N	0	2	447.232	3.201	40	30		IGEBLN
C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC	ZINC000408563341	555892036	/nfs/dbraw/zinc/89/20/36/555892036.db2.gz	AGINWBHBQYABIW-ASLXYRGWSA-N	0	2	435.480	3.315	40	30		IGEBLN
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Br	ZINC000408801918	556858973	/nfs/dbraw/zinc/85/89/73/556858973.db2.gz	WZVCQENLBNHADW-LFIBNONCSA-N	0	2	439.265	3.436	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1O	ZINC000409065671	556941624	/nfs/dbraw/zinc/94/16/24/556941624.db2.gz	IQGROBIAOWOIDH-GZTJUZNOSA-N	0	2	437.408	3.094	40	30		IGEBLN
N#CCSc1nc(N=NCc2cc(Br)cc(Br)c2O)n[nH]1	ZINC000036610904	526479320	/nfs/dbraw/zinc/47/93/20/526479320.db2.gz	BKPSPBHBIFDONE-PJQLUOCWSA-N	0	2	432.101	3.097	40	30		IGEBLN
COC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000408536188	555759613	/nfs/dbraw/zinc/75/96/13/555759613.db2.gz	QFAJZUCIUUVMST-OAHLLOKOSA-N	0	2	433.342	3.094	40	30		IGEBLN
Cc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	ZINC000408536322	555760580	/nfs/dbraw/zinc/76/05/80/555760580.db2.gz	QVLKNPMRAFYTCX-CQSZACIVSA-N	0	2	447.232	3.201	40	30		IGEBLN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408536543	555772637	/nfs/dbraw/zinc/77/26/37/555772637.db2.gz	RWMLBYNVKHANLT-INIZCTEOSA-N	0	2	430.258	3.449	40	30		IGEBLN
C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC	ZINC000408808507	556861630	/nfs/dbraw/zinc/86/16/30/556861630.db2.gz	MGSMFNCQLWRAIM-XMHGGMMESA-N	0	2	434.448	3.162	40	30		IGEBLN
CCc1ccc(S(=O)(=O)/N=C2/SC(CC(=O)Nc3ccccc3)C(=O)N2CC)cc1	ZINC000016754804	556639035	/nfs/dbraw/zinc/63/90/35/556639035.db2.gz	YXWXFWJDAXQPKU-MLSMKVKPSA-N	0	2	445.566	3.286	40	30		IGEBLN
C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000408804924	556860513	/nfs/dbraw/zinc/86/05/13/556860513.db2.gz	CKAKFOJSLLYLJC-MHWRWJLKSA-N	0	2	440.839	3.036	40	30		IGEBLN
C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OC	ZINC000408912356	556886368	/nfs/dbraw/zinc/88/63/68/556886368.db2.gz	QMFHVYZSQKNDFL-OVCLIPMQSA-N	0	2	428.803	3.166	40	30		IGEBLN
COc1ccc(OC)c(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408536261	555759906	/nfs/dbraw/zinc/75/99/06/555759906.db2.gz	QTZKZBZJQQHPCL-AWEZNQCLSA-N	0	2	446.257	3.068	40	30		IGEBLN
Cc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c1	ZINC000408537876	555782966	/nfs/dbraw/zinc/78/29/66/555782966.db2.gz	XWACOGFDKPELTK-OAHLLOKOSA-N	0	2	447.232	3.201	40	30		IGEBLN
C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC	ZINC000409072611	556946229	/nfs/dbraw/zinc/94/62/29/556946229.db2.gz	TXEUCBPMXAXZIH-XSFVSMFZSA-N	0	2	446.459	3.198	40	30		IGEBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2I)C1=O	ZINC000408531912	555736035	/nfs/dbraw/zinc/73/60/35/555736035.db2.gz	HMPTVEVGOGWEHR-LBPRGKRZSA-N	0	2	447.232	3.201	40	30		IGEBLN
Cc1c(/N=C2\SCC(=O)N2/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000016711859	556630043	/nfs/dbraw/zinc/63/00/43/556630043.db2.gz	STJPVFRJDHYGGM-ROBZNLLGSA-N	0	2	448.552	3.147	40	30		IGEBLN
O=C(C[C@@H]1SC(=NN=Cc2ccccc2O)NC1=O)c1ccc(Br)cc1	ZINC000016713214	556630506	/nfs/dbraw/zinc/63/05/06/556630506.db2.gz	RJCXLBYBKPNTED-UWSDUSPXSA-N	0	2	432.299	3.349	40	30		IGEBLN
O=C(CC1SC(=NN=Cc2ccccc2O)NC1=O)c1ccc(Br)cc1	ZINC000016713214	556630510	/nfs/dbraw/zinc/63/05/10/556630510.db2.gz	RJCXLBYBKPNTED-UWSDUSPXSA-N	0	2	432.299	3.349	40	30		IGEBLN
O=C1N=C(NN=C2S[C@H](C=C(O)c3ccccc3)C(=O)N2Cc2ccco2)CS1	ZINC000016779535	557475584	/nfs/dbraw/zinc/47/55/84/557475584.db2.gz	DYIIUZNCITVYSY-JOJWKMGHSA-N	0	2	428.495	3.123	40	30		IGEBLN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000013086624	521481408	/nfs/dbraw/zinc/48/14/08/521481408.db2.gz	BRYRHMUJIQKAHY-HXUWFJFHSA-N	0	2	425.437	3.370	40	30		IGEBLN
CCOC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000408535749	555764988	/nfs/dbraw/zinc/76/49/88/555764988.db2.gz	OQODTUDLECAJBV-MRXNPFEDSA-N	0	2	447.369	3.484	40	30		IGEBLN
C=CCOc1ccc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC	ZINC000408563355	555892007	/nfs/dbraw/zinc/89/20/07/555892007.db2.gz	AGINWBHBQYABIW-UCIDMZFESA-N	0	2	435.480	3.315	40	30		IGEBLN
C#CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl	ZINC000408565388	555907819	/nfs/dbraw/zinc/90/78/19/555907819.db2.gz	KFHAVQQAVYNMCO-DEXHYYOUSA-N	0	2	437.883	3.407	40	30		IGEBLN
C#CCOc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc1Cl	ZINC000408565387	555907848	/nfs/dbraw/zinc/90/78/48/555907848.db2.gz	KFHAVQQAVYNMCO-BWKHYTDRSA-N	0	2	437.883	3.407	40	30		IGEBLN
C=CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC)s1	ZINC000225736619	556683160	/nfs/dbraw/zinc/68/31/60/556683160.db2.gz	ACBDQCXRPIWUAJ-UHFFFAOYSA-N	0	2	428.586	3.403	40	30		IGEBLN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000005919831	556827201	/nfs/dbraw/zinc/82/72/01/556827201.db2.gz	YLSVIKVFWVTLHO-HXUWFJFHSA-N	0	2	425.437	3.370	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC#N)C2=O)cc1	ZINC000408772309	556847545	/nfs/dbraw/zinc/84/75/45/556847545.db2.gz	KNGNWJOOPVCZQP-LFIBNONCSA-N	0	2	440.253	3.326	40	30		IGEBLN
C#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408812669	556862998	/nfs/dbraw/zinc/86/29/98/556862998.db2.gz	XCBAOXCMMHNODZ-SFQUDFHCSA-N	0	2	439.265	3.436	40	30		IGEBLN
N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000408843977	556868341	/nfs/dbraw/zinc/86/83/41/556868341.db2.gz	BILPBBXAYXUUIV-NTEUORMPSA-N	0	2	444.216	3.157	40	30		IGEBLN
C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Br	ZINC000408868470	556874144	/nfs/dbraw/zinc/87/41/44/556874144.db2.gz	OMFKCPSOXTVIRB-RAXLEYEMSA-N	0	2	443.228	3.267	40	30		IGEBLN
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3c(C)cccc3C)S2)cc1OC	ZINC000009540275	569297162	/nfs/dbraw/zinc/29/71/62/569297162.db2.gz	KTDGBIUBDFHIHE-BYWZACNXSA-N	0	2	440.525	3.271	40	30		IGEBLN
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3c(C)cccc3C)S2)cc1OC	ZINC000009540275	569297163	/nfs/dbraw/zinc/29/71/63/569297163.db2.gz	KTDGBIUBDFHIHE-BYWZACNXSA-N	0	2	440.525	3.271	40	30		IGEBLN
C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000012379093	519013595	/nfs/dbraw/zinc/01/35/95/519013595.db2.gz	MQNFYEINCBGYTO-GDNBJRDFSA-N	0	2	427.800	3.479	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(I)c3)C2=O)cc1	ZINC000408530780	555726398	/nfs/dbraw/zinc/72/63/98/555726398.db2.gz	FVAIGPZZIHVMRE-HNNXBMFYSA-N	0	2	447.232	3.201	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000408533032	555745610	/nfs/dbraw/zinc/74/56/10/555745610.db2.gz	JCCFWOPHUMHFIT-CQSZACIVSA-N	0	2	430.258	3.368	40	30		IGEBLN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408536544	555772647	/nfs/dbraw/zinc/77/26/47/555772647.db2.gz	RWMLBYNVKHANLT-MRXNPFEDSA-N	0	2	430.258	3.449	40	30		IGEBLN
COc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Br)ccc3OC)C2=O)c1	ZINC000408537738	555782554	/nfs/dbraw/zinc/78/25/54/555782554.db2.gz	WWZKVTWLGPGSLS-AWEZNQCLSA-N	0	2	446.257	3.068	40	30		IGEBLN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(I)cc2)C1=O	ZINC000408537912	555782913	/nfs/dbraw/zinc/78/29/13/555782913.db2.gz	YAIUYDFMHHVBBL-AWEZNQCLSA-N	0	2	447.232	3.201	40	30		IGEBLN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC#N)c(Br)c3)C2=O)cc1	ZINC000408786739	556856362	/nfs/dbraw/zinc/85/63/62/556856362.db2.gz	VTYYKLZSMYVAMD-XNTDXEJSSA-N	0	2	440.253	3.326	40	30		IGEBLN
C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000408803110	556859707	/nfs/dbraw/zinc/85/97/07/556859707.db2.gz	LHJONGXLPXAKCL-LFIBNONCSA-N	0	2	443.253	3.386	40	30		IGEBLN
C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408804291	556860182	/nfs/dbraw/zinc/86/01/82/556860182.db2.gz	XCDJTLJKNOJXTK-SFQUDFHCSA-N	0	2	440.839	3.358	40	30		IGEBLN
C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)OC	ZINC000408984415	556910852	/nfs/dbraw/zinc/91/08/52/556910852.db2.gz	QSYYLVNHMCFRPG-ZHZULCJRSA-N	0	2	448.475	3.196	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OC	ZINC000409064152	556940921	/nfs/dbraw/zinc/94/09/21/556940921.db2.gz	BURGKMZMWNPUOH-CPNJWEJPSA-N	0	2	436.464	3.497	40	30		IGEBLN
C=CCOc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2cccs2)cc1	ZINC000012379087	519049097	/nfs/dbraw/zinc/04/90/97/519049097.db2.gz	YFERFOGTJPLYJI-HDMKZQKVSA-N	0	2	426.416	3.417	40	30		IGEBLN
CN(C)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000408534849	555755266	/nfs/dbraw/zinc/75/52/66/555755266.db2.gz	MQUKFLLSKDVQBH-MRXNPFEDSA-N	0	2	429.274	3.117	40	30		IGEBLN
C#CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl	ZINC000408565390	555907839	/nfs/dbraw/zinc/90/78/39/555907839.db2.gz	KFHAVQQAVYNMCO-SQMWVJLWSA-N	0	2	437.883	3.407	40	30		IGEBLN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC#N	ZINC000408775191	556848464	/nfs/dbraw/zinc/84/84/64/556848464.db2.gz	FYUMYNHLCQZIJS-OQLLNIDSSA-N	0	2	425.828	3.226	40	30		IGEBLN
C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC	ZINC000409067208	556942141	/nfs/dbraw/zinc/94/21/41/556942141.db2.gz	OHQWQSGDUDZYIU-HMMYKYKNSA-N	0	2	430.460	3.492	40	30		IGEBLN
COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000408530863	555726297	/nfs/dbraw/zinc/72/62/97/555726297.db2.gz	FYCRSSFRHHHMLT-CQSZACIVSA-N	0	2	430.258	3.368	40	30		IGEBLN
C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408944950	556897326	/nfs/dbraw/zinc/89/73/26/556897326.db2.gz	VNHUZPHSMGAMGD-XSFVSMFZSA-N	0	2	441.399	3.426	40	30		IGEBLN
C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	ZINC000409050055	556932519	/nfs/dbraw/zinc/93/25/19/556932519.db2.gz	ZRKTWKLHAXNROG-OQLLNIDSSA-N	0	2	431.231	3.377	40	30		IGEBLN
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OCC	ZINC000409073006	556946505	/nfs/dbraw/zinc/94/65/05/556946505.db2.gz	FTCQZAQGZRZKPR-CPNJWEJPSA-N	0	2	436.464	3.497	40	30		IGEBLN
O=C1N=C(NN=C2S[C@@H](C=C(O)c3ccccc3)C(=O)N2Cc2ccco2)CS1	ZINC000016779533	557475656	/nfs/dbraw/zinc/47/56/56/557475656.db2.gz	DYIIUZNCITVYSY-CYNURGJPSA-N	0	2	428.495	3.123	40	30		IGEBLN