smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)c(O)c2)NC(=O)N1	ZINC000003844199	204111304	/nfs/dbraw/zinc/11/13/04/204111304.db2.gz	JEHXXIAHQCQTAS-KRWDZBQOSA-N	0	0	354.362	2.469	40	10		FECBRN
O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1	ZINC000005569998	204215603	/nfs/dbraw/zinc/21/56/03/204215603.db2.gz	WGJROMRFHBMLAG-UHFFFAOYSA-N	0	0	372.240	2.381	40	10		FECBRN
CC[C@H]1C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	ZINC000004946117	204179607	/nfs/dbraw/zinc/17/96/07/204179607.db2.gz	VPAITWKEDLFJMU-SVTHCXHUSA-N	0	0	370.357	2.076	40	10		FECBRN
COCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1C	ZINC000408975847	263513281	/nfs/dbraw/zinc/51/32/81/263513281.db2.gz	ODZYARBLUIQXHL-UVTDQMKNSA-N	0	0	361.394	2.023	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S	ZINC000001276919	539341063	/nfs/dbraw/zinc/34/10/63/539341063.db2.gz	XFOBNPDFGBALJN-XNYAHFKXSA-N	0	0	352.393	2.358	40	10		FECBRN
COc1cc([C@@H]2c3cc(O)c(O)cc3C(=O)CN2C)cc(OC)c1OC	ZINC000024219173	539727986	/nfs/dbraw/zinc/72/79/86/539727986.db2.gz	SHFRVRFNJKKHIO-GOSISDBHSA-N	0	0	359.378	2.341	40	10		FECBRN
CC[C@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	ZINC000004946119	204179261	/nfs/dbraw/zinc/17/92/61/204179261.db2.gz	VPAITWKEDLFJMU-HIETZZAVSA-N	0	0	370.357	2.076	40	10		FECBRN
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCN1CCOCC1	ZINC000103918222	543118369	/nfs/dbraw/zinc/11/83/69/543118369.db2.gz	NIGFTGICETYGKT-MNDPQUGUSA-N	0	0	356.470	2.385	40	10		FECBRN
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	ZINC000408548589	558686752	/nfs/dbraw/zinc/68/67/52/558686752.db2.gz	JEOGRPHLLGPRDE-CXUHLZMHSA-N	0	0	371.368	2.299	40	10		FECBRN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1cc(O)c(O)cc1O	ZINC000016740692	539636740	/nfs/dbraw/zinc/63/67/40/539636740.db2.gz	GRKUABFXPCAFCK-OAHLLOKOSA-N	0	0	360.318	2.305	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S	ZINC000001276917	203997281	/nfs/dbraw/zinc/99/72/81/203997281.db2.gz	XFOBNPDFGBALJN-CLUBXZQOSA-N	0	0	352.393	2.358	40	10		FECBRN
CNc1c(Br)cc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O	ZINC000004830599	204166988	/nfs/dbraw/zinc/16/69/88/204166988.db2.gz	JPXNKIOPCQCYHP-UHFFFAOYSA-N	0	0	363.167	2.260	40	10		FECBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC(C)C	ZINC000005644273	204219887	/nfs/dbraw/zinc/21/98/87/204219887.db2.gz	OGMODHMMRIOABS-UHFFFAOYSA-N	0	0	354.815	2.050	40	10		FECBRN
COc1cc(C2=N/C(=C\c3cccc(O)c3O)C(=O)O2)cc(OC)c1OC	ZINC000005648316	204219475	/nfs/dbraw/zinc/21/94/75/204219475.db2.gz	NYFWYNDZUZFYEX-GHXNOFRVSA-N	0	0	371.345	2.468	40	10		FECBRN
CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	ZINC000046710072	205138814	/nfs/dbraw/zinc/13/88/14/205138814.db2.gz	KBCRAFYTVAFXEY-UHFFFAOYSA-N	0	0	373.478	2.125	40	10		FECBRN
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(NC(C)=O)C1=O)S2	ZINC000003208395	206159433	/nfs/dbraw/zinc/15/94/33/206159433.db2.gz	WWXPNMMWQNFNST-QBFSEMIESA-N	0	0	367.477	2.318	40	10		FECBRN
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1OC	ZINC000004992979	263337599	/nfs/dbraw/zinc/33/75/99/263337599.db2.gz	PDTQKCUWJWIUAG-GXDHUFHOSA-N	0	0	358.394	2.498	40	10		FECBRN
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1O	ZINC000004992968	263338016	/nfs/dbraw/zinc/33/80/16/263338016.db2.gz	PJJHAMIRCCUOJE-IZZDOVSWSA-N	0	0	364.785	2.459	40	10		FECBRN
OCCCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccnc2)n1	ZINC000329039130	553869424	/nfs/dbraw/zinc/86/94/24/553869424.db2.gz	RVVPDHMDJDWGBT-UHFFFAOYSA-N	0	0	371.828	2.279	40	10		FECBRN
CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2OC)C(=O)NC1=S	ZINC000409390310	570756009	/nfs/dbraw/zinc/75/60/09/570756009.db2.gz	CJMGWRZMGUXPAD-RVDMUPIBSA-N	0	0	373.478	2.332	40	10		FECBRN
Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1C	ZINC000013118294	206300954	/nfs/dbraw/zinc/30/09/54/206300954.db2.gz	NARUXRZZSJCXFJ-KKVDKANRSA-N	0	0	359.426	2.206	40	10		FECBRN
CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNCCCO	ZINC000408535764	558686462	/nfs/dbraw/zinc/68/64/62/558686462.db2.gz	ZZXAKIYECNGBNV-LCYFTJDESA-N	0	0	352.232	2.336	40	10		FECBRN
CCN1CCN(C2=NC(=O)/C(=C\c3cccc(OC)c3OC)S2)CC1	ZINC000033333600	539973946	/nfs/dbraw/zinc/97/39/46/539973946.db2.gz	KFDRUVNHASCURF-NTCAYCPXSA-N	0	0	361.467	2.312	40	10		FECBRN
COC(=O)CN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	ZINC000006003450	203813390	/nfs/dbraw/zinc/81/33/90/203813390.db2.gz	JZFCLQXMDBCOPC-QPJJXVBHSA-N	0	0	362.226	2.416	40	10		FECBRN
O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)N[C@@H]2NCCS2)cc1	ZINC000004972357	204181928	/nfs/dbraw/zinc/18/19/28/204181928.db2.gz	UGHJODNJJJDKDI-YWMAMYRUSA-N	0	0	365.440	2.101	40	10		FECBRN
CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccc(O)c(O)c1)C2=O	ZINC000019326500	206326648	/nfs/dbraw/zinc/32/66/48/206326648.db2.gz	ZEPFJPXVKAVDAN-UHFFFAOYSA-N	0	0	350.418	2.255	40	10		FECBRN
COC(=O)C[C@H]1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000219781226	206389804	/nfs/dbraw/zinc/38/98/04/206389804.db2.gz	SWBPOSZDPHMPHI-CYBMUJFWSA-N	0	0	369.464	2.038	40	10		FECBRN
CN(C)c1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)cc1	ZINC000096244845	542996892	/nfs/dbraw/zinc/99/68/92/542996892.db2.gz	UPRZORSELLRNIK-PXNSSMCTSA-N	0	0	371.506	2.258	40	10		FECBRN
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(OC)c1OC	ZINC000004999326	263337712	/nfs/dbraw/zinc/33/77/12/263337712.db2.gz	GKOADWVCOZLKFN-MDWZMJQESA-N	0	0	374.393	2.117	40	10		FECBRN
Cc1cccc(COc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1	ZINC000408864904	570693935	/nfs/dbraw/zinc/69/39/35/570693935.db2.gz	AYSLEJJLHXXDGA-UHFFFAOYSA-N	0	0	352.415	2.488	40	10		FECBRN
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(OC)c1O	ZINC000408892855	570695965	/nfs/dbraw/zinc/69/59/65/570695965.db2.gz	KEIGVLPTSWILAW-KAMYIIQDSA-N	0	0	361.394	2.110	40	10		FECBRN
Cc1cc(N2CCOCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000034890424	539978355	/nfs/dbraw/zinc/97/83/55/539978355.db2.gz	UEAFGDOZSBHRMJ-RGEXLXHISA-N	0	0	363.417	2.293	40	10		FECBRN
C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1	ZINC000329040195	203848994	/nfs/dbraw/zinc/84/89/94/203848994.db2.gz	SBENFBVIEQXYKW-LLVKDONJSA-N	0	0	371.828	2.278	40	10		FECBRN
C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccnc2)n1	ZINC000328967300	553855183	/nfs/dbraw/zinc/85/51/83/553855183.db2.gz	CTMQDFBMDGSHNY-LLVKDONJSA-N	0	0	371.828	2.278	40	10		FECBRN
CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S	ZINC000409391427	570755872	/nfs/dbraw/zinc/75/58/72/570755872.db2.gz	JGJGDVQULMZOFW-GXDHUFHOSA-N	0	0	370.390	2.032	40	10		FECBRN
O=C1N[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Nc2ccccc21	ZINC000004499099	539386486	/nfs/dbraw/zinc/38/64/86/539386486.db2.gz	TXXHLSNAHRBTHK-KRWDZBQOSA-N	0	0	354.366	2.286	40	10		FECBRN
CCNC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1	ZINC000225443067	132284827	/nfs/dbraw/zinc/28/48/27/132284827.db2.gz	RMAINPJUDVEGFN-UHFFFAOYSA-N	0	0	354.454	2.354	40	10		FECBRN
CCOc1cc(Cl)c(C=C2C(=O)NC(=S)N(CC)C2=O)cc1OC	ZINC000409393267	263556090	/nfs/dbraw/zinc/55/60/90/263556090.db2.gz	WQLIUBOURVTSDM-UXBLZVDNSA-N	0	0	368.842	2.394	40	10		FECBRN
COc1ccc(N2CCC[C@]3(CN(Cc4cncn4C)CCO3)C2)cc1	ZINC000096226311	536673996	/nfs/dbraw/zinc/67/39/96/536673996.db2.gz	XYGDUEKPIQAUSL-FQEVSTJZSA-N	0	0	356.470	2.300	40	10		FECBRN
CCN1CCc2cc(CN3CCO[C@@H](C(=O)NC4CCCC4)C3)ccc21	ZINC000249691991	549616664	/nfs/dbraw/zinc/61/66/64/549616664.db2.gz	MEKPDPRBLKRAFY-HXUWFJFHSA-N	0	0	357.498	2.329	40	10		FECBRN
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(F)c1	ZINC000408913960	558690099	/nfs/dbraw/zinc/69/00/99/558690099.db2.gz	WIYMSCFVBCWJSX-OVCLIPMQSA-N	0	0	357.410	2.490	40	10		FECBRN
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1	ZINC000408891437	570695214	/nfs/dbraw/zinc/69/52/14/570695214.db2.gz	QMGBDOAKLIGTKN-UHFFFAOYSA-N	0	0	356.378	2.319	40	10		FECBRN
O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)N1CCCCC1	ZINC000205876454	571310068	/nfs/dbraw/zinc/31/00/68/571310068.db2.gz	KCLKYKQGAULABG-NTEUORMPSA-N	0	0	362.407	2.147	40	10		FECBRN
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3)C2=O)o1	ZINC000033732513	539975287	/nfs/dbraw/zinc/97/52/87/539975287.db2.gz	VIAIIGDDEYRSPR-GDNBJRDFSA-N	0	0	369.377	2.225	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S	ZINC000001277073	539340683	/nfs/dbraw/zinc/34/06/83/539340683.db2.gz	HEFUJSWHSHXYER-XFFZJAGNSA-N	0	0	352.393	2.359	40	10		FECBRN
COc1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1O	ZINC000015276549	539614442	/nfs/dbraw/zinc/61/44/42/539614442.db2.gz	MWEPPZIHWHJHRZ-GXDHUFHOSA-N	0	0	352.346	2.409	40	10		FECBRN
Cc1c(C(=O)c2ccccc2)[n+]([O-])c2cc(F)c(N3CCCC3)cc2[n+]1[O-]	ZINC000004625811	207034373	/nfs/dbraw/zinc/03/43/73/207034373.db2.gz	CGBDJLFJTACSIO-UHFFFAOYSA-N	0	0	367.380	2.385	40	10		FECBRN
CCOC(=O)c1cnc2c(/N=N/c3ccc(OC)cc3)c(N)nn2c1N	ZINC000005462319	207101695	/nfs/dbraw/zinc/10/16/95/207101695.db2.gz	BUXVHVYLYJFLCM-QZQOTICOSA-N	0	0	355.358	2.494	40	10		FECBRN
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NN1CCOCC1	ZINC000112119189	543431752	/nfs/dbraw/zinc/43/17/52/543431752.db2.gz	OYUHVGPWRYNUBB-LGMDPLHJSA-N	0	0	373.413	2.208	40	10		FECBRN
CC(C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br	ZINC000408867438	263503366	/nfs/dbraw/zinc/50/33/66/263503366.db2.gz	MJFOZVXIMBUTEX-UHFFFAOYSA-N	0	0	369.240	2.151	40	10		FECBRN
COc1ccc(N2CCC[C@@]3(CN(Cc4nccn4C)CCO3)C2)cc1	ZINC000096226308	536674653	/nfs/dbraw/zinc/67/46/53/536674653.db2.gz	INEVCOHZFFTEDT-HXUWFJFHSA-N	0	0	356.470	2.300	40	10		FECBRN
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC(C)C	ZINC000408878350	570694554	/nfs/dbraw/zinc/69/45/54/570694554.db2.gz	AACSGRAFWUTGMM-UHFFFAOYSA-N	0	0	368.842	2.440	40	10		FECBRN
Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=C1C(=O)NC(=S)NC1=O	ZINC000409003008	570711695	/nfs/dbraw/zinc/71/16/95/570711695.db2.gz	YAMLHBMJUPIGTE-UHFFFAOYSA-N	0	0	354.435	2.020	40	10		FECBRN
CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O	ZINC000409246033	570745443	/nfs/dbraw/zinc/74/54/43/570745443.db2.gz	CXSBCTPXLPRNJJ-GZTJUZNOSA-N	0	0	366.421	2.496	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S	ZINC000001277019	539340824	/nfs/dbraw/zinc/34/08/24/539340824.db2.gz	UJISQKAPJLWANG-HLPMDPMVSA-N	0	0	353.421	2.164	40	10		FECBRN
Cc1cc(Br)cc(C)c1NC=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000408532118	558686393	/nfs/dbraw/zinc/68/63/93/558686393.db2.gz	PQKPERJTBAJFOJ-UHFFFAOYSA-N	0	0	366.215	2.412	40	10		FECBRN
COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(Cc2ccccc2F)c1	ZINC000408870556	570694332	/nfs/dbraw/zinc/69/43/32/570694332.db2.gz	TUDDRDCRVKJLAC-UHFFFAOYSA-N	0	0	370.405	2.339	40	10		FECBRN
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)OC	ZINC000409346861	570752048	/nfs/dbraw/zinc/75/20/48/570752048.db2.gz	OPGZSARLIFVSGE-GHXNOFRVSA-N	0	0	353.421	2.126	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S	ZINC000001276981	539340932	/nfs/dbraw/zinc/34/09/32/539340932.db2.gz	ZCGQKLANJUPDAH-XSHGTHSTSA-N	0	0	367.448	2.467	40	10		FECBRN
O=C1NC(=S)S/C1=C/c1cc(I)ccc1O	ZINC000001505082	539342191	/nfs/dbraw/zinc/34/21/91/539342191.db2.gz	NFRBZAVYFPQDSN-XBXARRHUSA-N	0	0	363.201	2.486	40	10		FECBRN
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(c3ccccc3)CC1)C(=O)C2=O	ZINC000006719201	539434825	/nfs/dbraw/zinc/43/48/25/539434825.db2.gz	OFYWUUOWTYXCDH-LEWJYISDSA-N	0	0	354.450	2.300	40	10		FECBRN
COCCN1C(=O)[C@@H](Cc2cc(OC)c(OC)c(OC)c2)SC1=S	ZINC000008104681	539477429	/nfs/dbraw/zinc/47/74/29/539477429.db2.gz	JBCKVBUUICEMFM-CYBMUJFWSA-N	0	0	371.480	2.130	40	10		FECBRN
C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1	ZINC000329040197	553869834	/nfs/dbraw/zinc/86/98/34/553869834.db2.gz	SBENFBVIEQXYKW-NSHDSACASA-N	0	0	371.828	2.278	40	10		FECBRN
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cccc(OC)c1O	ZINC000004976552	539397397	/nfs/dbraw/zinc/39/73/97/539397397.db2.gz	CRCKWLVYOOEKTK-QTNMRXCUSA-N	0	0	373.405	2.252	40	10		FECBRN
Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@@H](O)[C@H](O)CO)cc1C	ZINC000004959819	539397653	/nfs/dbraw/zinc/39/76/53/539397653.db2.gz	NARUXRZZSJCXFJ-NWWWNJFWSA-N	0	0	359.426	2.206	40	10		FECBRN
CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1	ZINC000009262241	539499987	/nfs/dbraw/zinc/49/99/87/539499987.db2.gz	IULYMLMOKWSZLT-JKSUJKDBSA-N	0	0	367.361	2.168	40	10		FECBRN
CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1O	ZINC000009262223	539499523	/nfs/dbraw/zinc/49/95/23/539499523.db2.gz	FNOHXNUGTHKIIE-HZPDHXFCSA-N	0	0	351.362	2.463	40	10		FECBRN
CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccccc1O	ZINC000009262226	539499841	/nfs/dbraw/zinc/49/98/41/539499841.db2.gz	FNOHXNUGTHKIIE-JKSUJKDBSA-N	0	0	351.362	2.463	40	10		FECBRN
O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)N[C@H]2NCCS2)cc1	ZINC000016951569	539637434	/nfs/dbraw/zinc/63/74/34/539637434.db2.gz	UGHJODNJJJDKDI-IAFNSTAXSA-N	0	0	365.440	2.101	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)Nc3c2cccc3C)SC1=S	ZINC000027563185	539809915	/nfs/dbraw/zinc/80/99/15/539809915.db2.gz	ZOBMVMWWXJULOJ-GLFQRJSBSA-N	0	0	362.432	2.080	40	10		FECBRN
COc1cccnc1NC(=S)NCc1ccc(N2CCOCC2)cc1	ZINC000225422594	209810589	/nfs/dbraw/zinc/81/05/89/209810589.db2.gz	JOJBFFATHQJWEJ-UHFFFAOYSA-N	0	0	358.467	2.413	40	10		FECBRN
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000408894977	263504541	/nfs/dbraw/zinc/50/45/41/263504541.db2.gz	SOESWYGFWBRBRD-QTNMRXCUSA-N	0	0	372.377	2.446	40	10		FECBRN
CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C)CC2)cc1	ZINC000019589880	539663328	/nfs/dbraw/zinc/66/33/28/539663328.db2.gz	RKFAEZZMXNQWEQ-LJQANCHMSA-N	0	0	369.517	2.191	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	ZINC000001276991	206872234	/nfs/dbraw/zinc/87/22/34/206872234.db2.gz	SCNHHHJJPKGGNQ-PGEKAQRJSA-N	0	0	367.448	2.467	40	10		FECBRN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)o1	ZINC000408913750	558689816	/nfs/dbraw/zinc/68/98/16/558689816.db2.gz	NNPLSUFKXBYAKK-MDWZMJQESA-N	0	0	371.374	2.420	40	10		FECBRN
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(C)C2=O)c1C	ZINC000409189512	570739308	/nfs/dbraw/zinc/73/93/08/570739308.db2.gz	HEZNONJUVQGLMF-XNTDXEJSSA-N	0	0	353.378	2.403	40	10		FECBRN
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000006395079	539427284	/nfs/dbraw/zinc/42/72/84/539427284.db2.gz	AUFFOFZBHPUCBI-QVTJDRNWSA-N	0	0	371.389	2.267	40	10		FECBRN
COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1OC	ZINC000054285112	540580793	/nfs/dbraw/zinc/58/07/93/540580793.db2.gz	GTOHPDNFCFDJQO-UHFFFAOYSA-N	0	0	356.422	2.470	40	10		FECBRN
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000059415455	540864860	/nfs/dbraw/zinc/86/48/60/540864860.db2.gz	ITLHZTSSFJGQAT-UHFFFAOYSA-N	0	0	354.362	2.106	40	10		FECBRN
COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	ZINC000107849733	543280000	/nfs/dbraw/zinc/28/00/00/543280000.db2.gz	JUJCQVQBNZVNFP-YVLHZVERSA-N	0	0	367.405	2.468	40	10		FECBRN
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408935895	570701172	/nfs/dbraw/zinc/70/11/72/570701172.db2.gz	FCGUHGZVMHJDHD-XNTDXEJSSA-N	0	0	367.317	2.270	40	10		FECBRN
Cc1cc(C)nc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)n1	ZINC000409144629	570732954	/nfs/dbraw/zinc/73/29/54/570732954.db2.gz	LLCKGGQPKRJAIU-UHFFFAOYSA-N	0	0	372.406	2.271	40	10		FECBRN
COc1ccc(N2CCC[C@]3(CN(Cc4nccn4C)CCO3)C2)cc1	ZINC000096226309	536673598	/nfs/dbraw/zinc/67/35/98/536673598.db2.gz	INEVCOHZFFTEDT-FQEVSTJZSA-N	0	0	356.470	2.300	40	10		FECBRN
O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1	ZINC000408940470	570701671	/nfs/dbraw/zinc/70/16/71/570701671.db2.gz	UQTKVIMYDMAKNC-UHFFFAOYSA-N	0	0	365.336	2.410	40	10		FECBRN
CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(N(CC)CC)cc1	ZINC000004710342	539390418	/nfs/dbraw/zinc/39/04/18/539390418.db2.gz	VEQTYPIAQUIIKF-INIZCTEOSA-N	0	0	356.430	2.371	40	10		FECBRN
CC(=O)N1c2ccccc2C(=C2SC(Nc3cccnc3)=NC2=O)C1=O	ZINC000005214926	539405136	/nfs/dbraw/zinc/40/51/36/539405136.db2.gz	OJCSOCKXGPPFTD-PFONDFGASA-N	0	0	364.386	2.427	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S	ZINC000001277093	210076806	/nfs/dbraw/zinc/07/68/06/210076806.db2.gz	WTWPZBSVPHVVBO-GHXNOFRVSA-N	0	0	353.421	2.165	40	10		FECBRN
O=C1/C(=C/c2ccccc2O)SC(=S)N1CCCN1CCOCC1	ZINC000017110085	211178526	/nfs/dbraw/zinc/17/85/26/211178526.db2.gz	RMDJZCZWDGOGJF-QINSGFPZSA-N	0	0	364.492	2.316	40	10		FECBRN
O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)N[C@H]2NCCS2)cc1	ZINC000104123760	222350349	/nfs/dbraw/zinc/35/03/49/222350349.db2.gz	JSGSCLWVIWTLGZ-MGPWXQLLSA-N	0	0	365.440	2.101	40	10		FECBRN
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1ccccc1	ZINC000113859931	263452033	/nfs/dbraw/zinc/45/20/33/263452033.db2.gz	ZPCSJEXLZMWEHD-UHFFFAOYSA-N	0	0	368.414	2.189	40	10		FECBRN
CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)NC1=S	ZINC000409392062	263555652	/nfs/dbraw/zinc/55/56/52/263555652.db2.gz	NQSYTAGJKMEMTL-JLHYYAGUSA-N	0	0	361.442	2.463	40	10		FECBRN
CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(CC)C2=O)cc1OC	ZINC000409393756	570756411	/nfs/dbraw/zinc/75/64/11/570756411.db2.gz	ZZABGINQRBQCFS-UXBLZVDNSA-N	0	0	368.842	2.394	40	10		FECBRN
Cc1cc(/N=N/c2ccccc2)c(NC[C@@H](O)[C@@H](O)[C@H](O)CO)cc1C	ZINC000004959820	539397710	/nfs/dbraw/zinc/39/77/10/539397710.db2.gz	NARUXRZZSJCXFJ-YRSDBSHPSA-N	0	0	359.426	2.206	40	10		FECBRN
COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1	ZINC000005684068	539415032	/nfs/dbraw/zinc/41/50/32/539415032.db2.gz	KVRKGBLBLCFCQC-UKTHLTGXSA-N	0	0	364.404	2.237	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S	ZINC000001810134	210076208	/nfs/dbraw/zinc/07/62/08/210076208.db2.gz	UTKKZRQJMHRGKB-SEYXRHQNSA-N	0	0	362.432	2.082	40	10		FECBRN
CC(=O)Oc1cc2c(cc1OC(C)=O)C(=O)c1cc3c(cc1C2=O)OCO3	ZINC000005712245	539416325	/nfs/dbraw/zinc/41/63/25/539416325.db2.gz	IUCWKGKYFOEKHH-UHFFFAOYSA-N	0	0	368.297	2.041	40	10		FECBRN
CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2c1C(=O)CCC2	ZINC000010157633	539513512	/nfs/dbraw/zinc/51/35/12/539513512.db2.gz	FHKGCYMRMCXORF-UHFFFAOYSA-N	0	0	367.453	2.373	40	10		FECBRN
CCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC	ZINC000002773286	210074954	/nfs/dbraw/zinc/07/49/54/210074954.db2.gz	SZXZHUKGOVXBOK-UHFFFAOYSA-N	0	0	368.842	2.442	40	10		FECBRN
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2	ZINC000054285018	540580859	/nfs/dbraw/zinc/58/08/59/540580859.db2.gz	QQOOFGJVYSXCTJ-UHFFFAOYSA-N	0	0	354.406	2.224	40	10		FECBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1cccc(F)c1	ZINC000408879144	570694535	/nfs/dbraw/zinc/69/45/35/570694535.db2.gz	BVGSBOYQXLINOH-UHFFFAOYSA-N	0	0	370.405	2.339	40	10		FECBRN
CCOc1cc(C=C2C(=O)NC(=S)N(CC)C2=O)c(Cl)cc1OC	ZINC000409392028	570755757	/nfs/dbraw/zinc/75/57/57/570755757.db2.gz	NDJJNRKYRWSSRT-UXBLZVDNSA-N	0	0	368.842	2.394	40	10		FECBRN
CCOc1cc(Cl)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC	ZINC000059140107	540863395	/nfs/dbraw/zinc/86/33/95/540863395.db2.gz	ADICMMGRTKUZIH-UHFFFAOYSA-N	0	0	368.842	2.346	40	10		FECBRN
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3Br)o2)C(=O)N1	ZINC000002287303	210387951	/nfs/dbraw/zinc/38/79/51/210387951.db2.gz	OPGCYXULLYGEGF-UHFFFAOYSA-N	0	0	361.151	2.459	40	10		FECBRN
CN(C)c1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C(=O)c2ccco2)cc1	ZINC000096248746	222099907	/nfs/dbraw/zinc/09/99/07/222099907.db2.gz	QZNKHWDGKIZGSI-MJGOQNOKSA-N	0	0	355.438	2.071	40	10		FECBRN
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O	ZINC000408548878	558686655	/nfs/dbraw/zinc/68/66/55/558686655.db2.gz	MQEOYPUZEHQZRL-LICLKQGHSA-N	0	0	367.405	2.219	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000001277035	539340982	/nfs/dbraw/zinc/34/09/82/539340982.db2.gz	YSYHKKAEZRSNSB-VNUQYUTRSA-N	0	0	351.405	2.178	40	10		FECBRN
C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccncc2)n1	ZINC000329056145	210132469	/nfs/dbraw/zinc/13/24/69/210132469.db2.gz	VRRLNDQRHGRNIB-NSHDSACASA-N	0	0	371.828	2.278	40	10		FECBRN
COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1	ZINC000029973079	211518727	/nfs/dbraw/zinc/51/87/27/211518727.db2.gz	ALGIEJQKCHIRRU-UHFFFAOYSA-N	0	0	362.451	2.326	40	10		FECBRN
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000408996623	263515713	/nfs/dbraw/zinc/51/57/13/263515713.db2.gz	JJHKPJKLORYXHZ-PTNGSMBKSA-N	0	0	360.366	2.304	40	10		FECBRN
CN1C(=O)/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S	ZINC000409326693	570750022	/nfs/dbraw/zinc/75/00/22/570750022.db2.gz	DGPKBINBIDVHOC-UKTHLTGXSA-N	0	0	365.436	2.262	40	10		FECBRN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)NC(=O)N1	ZINC000003844200	539373575	/nfs/dbraw/zinc/37/35/75/539373575.db2.gz	JEHXXIAHQCQTAS-QGZVFWFLSA-N	0	0	354.362	2.469	40	10		FECBRN
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCOCC1	ZINC000005370797	539409314	/nfs/dbraw/zinc/40/93/14/539409314.db2.gz	WOCNMBAZAHJTMI-GVEAZFNLSA-N	0	0	374.487	2.303	40	10		FECBRN
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000000853107	219330604	/nfs/dbraw/zinc/33/06/04/219330604.db2.gz	QLJHZCSLUGPSDP-BOPFTXTBSA-N	0	0	366.421	2.252	40	10		FECBRN
CN(C)c1ccc(/C=c2\sc3nnc(Cc4ccccc4)n3c2=O)cc1	ZINC000016957481	211173425	/nfs/dbraw/zinc/17/34/25/211173425.db2.gz	NTCDRAWSLHNGLG-ATVHPVEESA-N	0	0	362.458	2.356	40	10		FECBRN
Cc1ccnc(N[C@H](c2ccccc2O)c2oc(CO)cc(=O)c2O)c1	ZINC000000945135	525701638	/nfs/dbraw/zinc/70/16/38/525701638.db2.gz	FHXJAOWZPUKPTO-QGZVFWFLSA-N	0	0	354.362	2.448	40	10		FECBRN
CN(C)c1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)cc1	ZINC000248142307	549410476	/nfs/dbraw/zinc/41/04/76/549410476.db2.gz	UPRZORSELLRNIK-FXAWDEMLSA-N	0	0	371.506	2.258	40	10		FECBRN
OCCCNc1nc(Nc2cc(Cl)ccc2O)cc(C(F)(F)F)n1	ZINC000329037097	210133214	/nfs/dbraw/zinc/13/32/14/210133214.db2.gz	RMDHPPYYAHPXQM-UHFFFAOYSA-N	0	0	362.739	2.236	40	10		FECBRN
OCCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccc2)n1	ZINC000329031305	210130989	/nfs/dbraw/zinc/13/09/89/210130989.db2.gz	QIKGQUQDLGKFST-UHFFFAOYSA-N	0	0	356.813	2.494	40	10		FECBRN
CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1	ZINC000009262237	219877078	/nfs/dbraw/zinc/87/70/78/219877078.db2.gz	IULYMLMOKWSZLT-HOTGVXAUSA-N	0	0	367.361	2.168	40	10		FECBRN
CN(C)c1ccc(/C=c2/sc3nnc(Cc4ccccc4)n3c2=O)cc1	ZINC000001625271	210362174	/nfs/dbraw/zinc/36/21/74/210362174.db2.gz	NTCDRAWSLHNGLG-SFQUDFHCSA-N	0	0	362.458	2.356	40	10		FECBRN
CC(NCCO)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	ZINC000112117244	543431184	/nfs/dbraw/zinc/43/11/84/543431184.db2.gz	UXZLXBBCHFIXDQ-LGMDPLHJSA-N	0	0	366.377	2.202	40	10		FECBRN
CCOc1cc(-c2cc(-c3cc(O)c(O)cc3O)nn2CCO)ccc1O	ZINC000257269878	528187241	/nfs/dbraw/zinc/18/72/41/528187241.db2.gz	MRUDJJKORMDIBX-UHFFFAOYSA-N	0	0	372.377	2.431	40	10		FECBRN
Nc1ccc(O)c2c1C(=O)c1c(O)cc(-c3ccc(O)cc3)c(N)c1C2=O	ZINC000005420910	539410420	/nfs/dbraw/zinc/41/04/20/539410420.db2.gz	OXLITIGRBOEDEZ-UHFFFAOYSA-N	0	0	362.341	2.410	40	10		FECBRN
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCN(Cc3ccccc3)CC1)C(=O)C2=O	ZINC000020589916	220335186	/nfs/dbraw/zinc/33/51/86/220335186.db2.gz	ODUKDQQDXYYVPC-FCHUYYIVSA-N	0	0	368.477	2.295	40	10		FECBRN
C/C(NN1CCOCC1)=C1\C(C)=NN(c2nc3ccccc3s2)C1=O	ZINC000103916620	543118081	/nfs/dbraw/zinc/11/80/81/543118081.db2.gz	PEAYNPPBNSXIAL-PTNGSMBKSA-N	0	0	357.439	2.130	40	10		FECBRN
CC(=O)[C@@H](N=Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C	ZINC000104124478	222349834	/nfs/dbraw/zinc/34/98/34/222349834.db2.gz	XJQZLLRNUMTZNK-FVGNFYTDSA-N	0	0	374.422	2.322	40	10		FECBRN
Cc1ccc(NC[C@@H](O)[C@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C	ZINC000005005335	263338054	/nfs/dbraw/zinc/33/80/54/263338054.db2.gz	BVMBLTCSAVCYFW-JWLZUPGLSA-N	0	0	359.426	2.206	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000001276915	539340925	/nfs/dbraw/zinc/34/09/25/539340925.db2.gz	LSNZFUJBLJCVRO-XNYAHFKXSA-N	0	0	352.393	2.358	40	10		FECBRN
CCN1CCc2cc(CN3CCO[C@H](C(=O)NC4CCCC4)C3)ccc21	ZINC000072392168	541804046	/nfs/dbraw/zinc/80/40/46/541804046.db2.gz	MEKPDPRBLKRAFY-FQEVSTJZSA-N	0	0	357.498	2.329	40	10		FECBRN
O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(O)c(O)c1)C2	ZINC000019402318	220255952	/nfs/dbraw/zinc/25/59/52/220255952.db2.gz	IANGUMHSKQPDBX-UHFFFAOYSA-N	0	0	350.378	2.214	40	10		FECBRN
O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1ccncc1	ZINC000054360623	221052964	/nfs/dbraw/zinc/05/29/64/221052964.db2.gz	WUZQUZWADQBUNP-JYRVWZFOSA-N	0	0	373.415	2.039	40	10		FECBRN
COCCN1C(=O)/C(=C/c2ccc(O)cc2)C(=O)N(c2ccccc2)C1=O	ZINC000409010720	558690204	/nfs/dbraw/zinc/69/02/04/558690204.db2.gz	DFKJMDGANSSBMO-LGMDPLHJSA-N	0	0	366.373	2.417	40	10		FECBRN
Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000033666992	539975595	/nfs/dbraw/zinc/97/55/95/539975595.db2.gz	XYUXZMRGFZWKSA-UHFFFAOYSA-N	0	0	361.442	2.333	40	10		FECBRN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1cc(O)c(O)cc1O	ZINC000016740693	220192519	/nfs/dbraw/zinc/19/25/19/220192519.db2.gz	GRKUABFXPCAFCK-HNNXBMFYSA-N	0	0	360.318	2.305	40	10		FECBRN
COC(=O)c1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)ccc1C	ZINC000074966426	542141421	/nfs/dbraw/zinc/14/14/21/542141421.db2.gz	QLTLBYDZISHLCF-UHFFFAOYSA-N	0	0	362.451	2.326	40	10		FECBRN
CN(C)c1ccc(/C=c2\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)cc1	ZINC000408721884	263490146	/nfs/dbraw/zinc/49/01/46/263490146.db2.gz	BAENTSYKSNLWSX-SXGWCWSVSA-N	0	0	366.402	2.431	40	10		FECBRN
COCCN1C(=O)/C(=C/c2cccn2C)C(=O)N(c2ccccc2)C1=O	ZINC000409013728	558690310	/nfs/dbraw/zinc/69/03/10/558690310.db2.gz	NUUIPTURBMNXEE-SSZFMOIBSA-N	0	0	353.378	2.050	40	10		FECBRN
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(OC)c1OC(C)=O	ZINC000059418098	221127004	/nfs/dbraw/zinc/12/70/04/221127004.db2.gz	KSYDVAMPTAXRCM-KPKJPENVSA-N	0	0	353.421	2.460	40	10		FECBRN
C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccnc2)n1	ZINC000328967501	534129103	/nfs/dbraw/zinc/12/91/03/534129103.db2.gz	CTMQDFBMDGSHNY-NSHDSACASA-N	0	0	371.828	2.278	40	10		FECBRN
CCOCCC[NH+]=C(C)C1=C([O-])N(c2ccccc2)NC1=CC(=O)OC	ZINC000017074115	539639245	/nfs/dbraw/zinc/63/92/45/539639245.db2.gz	OMECSOCVMXZURK-JXAWBTAJSA-N	0	0	359.426	2.243	40	10		FECBRN
CNC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	ZINC000054360723	221052937	/nfs/dbraw/zinc/05/29/37/221052937.db2.gz	OFYNMGXTLZMYIC-RAXLEYEMSA-N	0	0	350.465	2.423	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S	ZINC000001277017	539341048	/nfs/dbraw/zinc/34/10/48/539341048.db2.gz	UJISQKAPJLWANG-VQLBTBKJSA-N	0	0	353.421	2.164	40	10		FECBRN
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O	ZINC000006477360	539428788	/nfs/dbraw/zinc/42/87/88/539428788.db2.gz	SLNASTJOBPXRTD-UHFFFAOYSA-N	0	0	369.240	2.062	40	10		FECBRN
COc1ccc(N2CCN(Cc3nnnn3Cc3cccs3)CC2)cc1	ZINC000019556604	539661259	/nfs/dbraw/zinc/66/12/59/539661259.db2.gz	SGSCFUYQKYVIIZ-UHFFFAOYSA-N	0	0	370.482	2.114	40	10		FECBRN
COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Br)ccc1O	ZINC000004714019	219599182	/nfs/dbraw/zinc/59/91/82/219599182.db2.gz	CMIJSIDLACUZOL-LLVKDONJSA-N	0	0	357.229	2.121	40	10		FECBRN
COc1cc(-c2cc(-c3cc(O)c(O)cc3O)nn2CCO)ccc1O	ZINC000257313939	223062056	/nfs/dbraw/zinc/06/20/56/223062056.db2.gz	UUTCTIJWBAOGIL-UHFFFAOYSA-N	0	0	358.350	2.040	40	10		FECBRN
COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1	ZINC000033911719	263397159	/nfs/dbraw/zinc/39/71/59/263397159.db2.gz	WDSWCNRLVZQEKM-UHFFFAOYSA-N	0	0	350.440	2.248	40	10		FECBRN
C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(C(F)(F)F)n1	ZINC000329058338	534127882	/nfs/dbraw/zinc/12/78/82/534127882.db2.gz	WCENUXYORRYSQU-ZETCQYMHSA-N	0	0	362.739	2.235	40	10		FECBRN
COc1ccc(N2CCC[C@]3(CN(Cc4cnn(C)c4)CCO3)C2)cc1	ZINC000096226307	536674547	/nfs/dbraw/zinc/67/45/47/536674547.db2.gz	UMPGSHLQEKNTDR-FQEVSTJZSA-N	0	0	356.470	2.300	40	10		FECBRN
COc1ccc(N2CCN(C(=O)COc3cccc(OC)c3)CC2)cc1	ZINC000044508896	536683363	/nfs/dbraw/zinc/68/33/63/536683363.db2.gz	LTNFSALIZADNOS-UHFFFAOYSA-N	0	0	356.422	2.431	40	10		FECBRN
COCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)C(C(=O)OC)=C1C	ZINC000408976510	570706578	/nfs/dbraw/zinc/70/65/78/570706578.db2.gz	RFMPCXSCUVRSLR-GDNBJRDFSA-N	0	0	361.394	2.023	40	10		FECBRN
O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc([N+](=O)[O-])cc1	ZINC000005552856	539412769	/nfs/dbraw/zinc/41/27/69/539412769.db2.gz	HYGXBMSIZVBSIZ-WQLSENKSSA-N	0	0	374.403	2.469	40	10		FECBRN
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(Br)ccc1O	ZINC000006348212	539426420	/nfs/dbraw/zinc/42/64/20/539426420.db2.gz	WQUQCZMQOOHLDR-XFFZJAGNSA-N	0	0	352.184	2.457	40	10		FECBRN
C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccncc2)n1	ZINC000329056144	223130606	/nfs/dbraw/zinc/13/06/06/223130606.db2.gz	VRRLNDQRHGRNIB-LLVKDONJSA-N	0	0	371.828	2.278	40	10		FECBRN
Cn1cc(/C=C2\c3cc(S(N)(=O)=O)ccc3NC2=O)c2ccccc21	ZINC000016052808	220177425	/nfs/dbraw/zinc/17/74/25/220177425.db2.gz	MLKHXLFEYOOYEY-OVCLIPMQSA-N	0	0	353.403	2.318	40	10		FECBRN
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1ccccc1F	ZINC000408872158	570694414	/nfs/dbraw/zinc/69/44/14/570694414.db2.gz	ADRKLRSBLXTFMX-UHFFFAOYSA-N	0	0	370.405	2.339	40	10		FECBRN
CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2ccccc2O)C1	ZINC000019573256	220276743	/nfs/dbraw/zinc/27/67/43/220276743.db2.gz	QIRCXVARUCWWIY-LBPRGKRZSA-N	0	0	353.469	2.027	40	10		FECBRN
CC(NCCc1c[nH]cn1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C	ZINC000103916141	543118389	/nfs/dbraw/zinc/11/83/89/543118389.db2.gz	HCUHOXADWNJWEG-WJDWOHSUSA-N	0	0	354.370	2.147	40	10		FECBRN
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC	ZINC000096193613	222070384	/nfs/dbraw/zinc/07/03/84/222070384.db2.gz	QWBTTZPTUFSNPP-UHFFFAOYSA-N	0	0	354.815	2.052	40	10		FECBRN
COc1ccc2ccc(OC)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2c1	ZINC000059109613	263416434	/nfs/dbraw/zinc/41/64/34/263416434.db2.gz	KYHMSPVTIKWVGZ-UHFFFAOYSA-N	0	0	354.362	2.291	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S	ZINC000001277105	539341171	/nfs/dbraw/zinc/34/11/71/539341171.db2.gz	CXADJVABBNQDDP-QPEQYQDCSA-N	0	0	367.448	2.468	40	10		FECBRN
O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cc(Cl)ccc1O)C2	ZINC000019293013	539655450	/nfs/dbraw/zinc/65/54/50/539655450.db2.gz	GDPBXYBRONFMIH-UHFFFAOYSA-N	0	0	360.845	2.287	40	10		FECBRN
COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000033705561	539975181	/nfs/dbraw/zinc/97/51/81/539975181.db2.gz	JYOWVVFMBXIBPL-UHFFFAOYSA-N	0	0	371.393	2.331	40	10		FECBRN
Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000049740574	540393137	/nfs/dbraw/zinc/39/31/37/540393137.db2.gz	SEFOLGDBGBLUOK-UHFFFAOYSA-N	0	0	364.442	2.449	40	10		FECBRN
O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1N1CCOCC1	ZINC000054361202	540585251	/nfs/dbraw/zinc/58/52/51/540585251.db2.gz	SRARSCNUSXXNPY-ZROIWOOFSA-N	0	0	358.448	2.078	40	10		FECBRN
COc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000054285543	136125466	/nfs/dbraw/zinc/12/54/66/136125466.db2.gz	YZWWHTDUGWWECM-UHFFFAOYSA-N	0	0	356.422	2.227	40	10		FECBRN
CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S	ZINC000107826292	543278729	/nfs/dbraw/zinc/27/87/29/543278729.db2.gz	YXBKMZIIDAYJOR-UKTHLTGXSA-N	0	0	365.436	2.262	40	10		FECBRN
Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000005745041	263342991	/nfs/dbraw/zinc/34/29/91/263342991.db2.gz	CCBUIAQDSGOUCT-UHFFFAOYSA-N	0	0	357.347	2.078	40	10		FECBRN
COc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000409223273	263543611	/nfs/dbraw/zinc/54/36/11/263543611.db2.gz	FBZUVAIXEGCUDX-UHFFFAOYSA-N	0	0	357.410	2.119	40	10		FECBRN
COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccccc2)c1	ZINC000408865033	570693778	/nfs/dbraw/zinc/69/37/78/570693778.db2.gz	AEZRYBIXUUYNSV-UHFFFAOYSA-N	0	0	368.414	2.189	40	10		FECBRN
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)OC	ZINC000409349621	570751999	/nfs/dbraw/zinc/75/19/99/570751999.db2.gz	VPOWJRKKNILPIC-JYRVWZFOSA-N	0	0	367.448	2.468	40	10		FECBRN
CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)NC1=S	ZINC000409392181	570756073	/nfs/dbraw/zinc/75/60/73/570756073.db2.gz	NUGQCQSJIOCQCQ-GXDHUFHOSA-N	0	0	361.442	2.463	40	10		FECBRN
CCN(CC)c1ccc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1	ZINC000007586741	539460670	/nfs/dbraw/zinc/46/06/70/539460670.db2.gz	WXTKJDGFNDDLOG-BKHHGCLFSA-N	0	0	368.458	2.368	40	10		FECBRN
COc1cccc(OC)c1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000013646749	539589097	/nfs/dbraw/zinc/58/90/97/539589097.db2.gz	LCQUAPNGTLXQCM-UHFFFAOYSA-N	0	0	356.422	2.470	40	10		FECBRN
O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)N[C@@H]2NCCS2)cc1	ZINC000104123721	205998486	/nfs/dbraw/zinc/99/84/86/205998486.db2.gz	UGHJODNJJJDKDI-DNZUHHBVSA-N	0	0	365.440	2.101	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S	ZINC000001276957	539340967	/nfs/dbraw/zinc/34/09/67/539340967.db2.gz	AOJUWBUNWWSWIV-VQLBTBKJSA-N	0	0	353.421	2.164	40	10		FECBRN
NS(=O)(=O)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1	ZINC000016429448	539631533	/nfs/dbraw/zinc/63/15/33/539631533.db2.gz	BRDCNBLXZOZMDS-GHXNOFRVSA-N	0	0	366.445	2.083	40	10		FECBRN
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000001570831	204011857	/nfs/dbraw/zinc/01/18/57/204011857.db2.gz	LWLNFIXOPOZENE-UHFFFAOYSA-N	0	0	365.341	2.496	40	10	in-vivo	FECBRN
O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)N[C@@H]2NCCS2)cc1	ZINC000104123752	543124023	/nfs/dbraw/zinc/12/40/23/543124023.db2.gz	JSGSCLWVIWTLGZ-DNZUHHBVSA-N	0	0	365.440	2.101	40	10		FECBRN
CC(=O)[C@H](N=Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C	ZINC000104124483	543124083	/nfs/dbraw/zinc/12/40/83/543124083.db2.gz	XJQZLLRNUMTZNK-JHBCHSCWSA-N	0	0	374.422	2.322	40	10		FECBRN
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O	ZINC000408548582	558686688	/nfs/dbraw/zinc/68/66/88/558686688.db2.gz	JBPVZRQTPVCELX-OQLLNIDSSA-N	0	0	371.368	2.299	40	10		FECBRN
CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O	ZINC000409238358	570743087	/nfs/dbraw/zinc/74/30/87/570743087.db2.gz	XDFYEGSDDJKRHL-MHWRWJLKSA-N	0	0	352.394	2.106	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S	ZINC000001276983	203805161	/nfs/dbraw/zinc/80/51/61/203805161.db2.gz	ZCGQKLANJUPDAH-VAENJDROSA-N	0	0	367.448	2.467	40	10		FECBRN
CCn1c2ccccc2cc(/C=C2\SC(N3CCOCC3)=NC2=O)c1=O	ZINC000036625744	205018599	/nfs/dbraw/zinc/01/85/99/205018599.db2.gz	IZANRGIYCPOFCO-VBKFSLOCSA-N	0	0	369.446	2.324	40	10		FECBRN
CCN(CC)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1	ZINC000097992881	206546073	/nfs/dbraw/zinc/54/60/73/206546073.db2.gz	WXTKJDGFNDDLOG-LOEKEGPCSA-N	0	0	368.458	2.368	40	10		FECBRN
O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)N[C@H]2NCCS2)cc1	ZINC000104123726	543124157	/nfs/dbraw/zinc/12/41/57/543124157.db2.gz	UGHJODNJJJDKDI-MGPWXQLLSA-N	0	0	365.440	2.101	40	10		FECBRN
CCOc1cc(Cl)c(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000408911676	570698525	/nfs/dbraw/zinc/69/85/25/570698525.db2.gz	BXFZCBYBTUKXJN-WEVVVXLNSA-N	0	0	354.815	2.004	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	ZINC000001276989	539340800	/nfs/dbraw/zinc/34/08/00/539340800.db2.gz	SCNHHHJJPKGGNQ-LMRAXHDRSA-N	0	0	367.448	2.467	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000001276913	539340826	/nfs/dbraw/zinc/34/08/26/539340826.db2.gz	LSNZFUJBLJCVRO-CLUBXZQOSA-N	0	0	352.393	2.358	40	10		FECBRN
COc1cc([C@H]2c3cc(O)c(O)cc3C(=O)CN2C)cc(OC)c1OC	ZINC000024219166	539728501	/nfs/dbraw/zinc/72/85/01/539728501.db2.gz	SHFRVRFNJKKHIO-SFHVURJKSA-N	0	0	359.378	2.341	40	10		FECBRN
CC(=O)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000034765451	539977957	/nfs/dbraw/zinc/97/79/57/539977957.db2.gz	BYQLPDSLAFRFIZ-BOPFTXTBSA-N	0	0	365.389	2.139	40	10		FECBRN
CCOC(=O)CCC(=O)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O	ZINC000005663330	204219650	/nfs/dbraw/zinc/21/96/50/204219650.db2.gz	AMTXZLNENMZIHP-UHFFFAOYSA-N	0	0	368.341	2.416	40	10		FECBRN
COc1cc(C=C2C(=O)N(c3nc(C)cc(=O)[nH]3)N=C2C)cc(Cl)c1O	ZINC000008462296	204331992	/nfs/dbraw/zinc/33/19/92/204331992.db2.gz	JZLRSZLIXVCUCV-VZUCSPMQSA-N	0	0	374.784	2.252	40	10		FECBRN
O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)N[C@H]2NCCS2)cc1	ZINC000016951577	204646365	/nfs/dbraw/zinc/64/63/65/204646365.db2.gz	JSGSCLWVIWTLGZ-IAFNSTAXSA-N	0	0	365.440	2.101	40	10		FECBRN
OCCCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccncc2)n1	ZINC000329060713	553873094	/nfs/dbraw/zinc/87/30/94/553873094.db2.gz	WNEHTMOAIWUXJW-UHFFFAOYSA-N	0	0	371.828	2.279	40	10		FECBRN
CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2C)C(=O)N(CC)C1=S	ZINC000408549273	558686761	/nfs/dbraw/zinc/68/67/61/558686761.db2.gz	RUYRLYOPYBGAKG-UHFFFAOYSA-N	0	0	362.451	2.391	40	10		FECBRN
COc1cccc(CN2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c1O	ZINC000012142876	539545937	/nfs/dbraw/zinc/54/59/37/539545937.db2.gz	JDXFUBHANRYWOB-UHFFFAOYSA-N	0	0	364.405	2.104	40	10		FECBRN
Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)ccc1F	ZINC000049740573	540393035	/nfs/dbraw/zinc/39/30/35/540393035.db2.gz	VVWLEHBBCBGDFK-UHFFFAOYSA-N	0	0	364.442	2.449	40	10		FECBRN
CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc21	ZINC000059182164	540863641	/nfs/dbraw/zinc/86/36/41/540863641.db2.gz	HHDFKPLZOIUALH-MDWZMJQESA-N	0	0	371.418	2.301	40	10		FECBRN
COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cn1	ZINC000225422528	548733908	/nfs/dbraw/zinc/73/39/08/548733908.db2.gz	UTRDLEAZRBKBID-UHFFFAOYSA-N	0	0	358.467	2.413	40	10		FECBRN
CN1C(=O)C(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)N(C)C1=O	ZINC000408832507	570690363	/nfs/dbraw/zinc/69/03/63/570690363.db2.gz	XIOWOPBUANGSRV-UHFFFAOYSA-N	0	0	373.296	2.428	40	10		FECBRN
CCOc1cccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)c1O	ZINC000006964909	539442887	/nfs/dbraw/zinc/44/28/87/539442887.db2.gz	XMGFITYVLUZTGI-KAMYIIQDSA-N	0	0	361.394	2.110	40	10		FECBRN
CS(=O)(=O)c1snnc1C1CCN(Cc2ccccc2O)CC1	ZINC000012121295	539544618	/nfs/dbraw/zinc/54/46/18/539544618.db2.gz	OEYNSIPAHDSOAV-UHFFFAOYSA-N	0	0	353.469	2.027	40	10		FECBRN
C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2O)cc(C(F)(F)F)n1	ZINC000329058335	203849236	/nfs/dbraw/zinc/84/92/36/203849236.db2.gz	WCENUXYORRYSQU-SSDOTTSWSA-N	0	0	362.739	2.235	40	10		FECBRN
Cc1cccc(C(=O)Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1	ZINC000003032172	204073868	/nfs/dbraw/zinc/07/38/68/204073868.db2.gz	RJTHVBMHFGERQB-UHFFFAOYSA-N	0	0	366.398	2.129	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C2/C(=O)Nc3c2cccc3C)SC1=S	ZINC000027563188	206458648	/nfs/dbraw/zinc/45/86/48/206458648.db2.gz	ZOBMVMWWXJULOJ-UGFBRPNYSA-N	0	0	362.432	2.080	40	10		FECBRN
CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)C(=O)NC1=S	ZINC000409392039	263555810	/nfs/dbraw/zinc/55/58/10/263555810.db2.gz	NGWJCEBYUYCGJQ-JXMROGBWSA-N	0	0	369.240	2.104	40	10		FECBRN
CC(NC#N)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000334156988	554682501	/nfs/dbraw/zinc/68/25/01/554682501.db2.gz	VMUNWNZEONDGJK-UHFFFAOYSA-O	0	0	360.422	2.291	40	10		FECBRN
CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)OC)SC1=S	ZINC000408535089	558686335	/nfs/dbraw/zinc/68/63/35/558686335.db2.gz	UNTGNRXXQKFNKM-WQLSENKSSA-N	0	0	367.448	2.468	40	10		FECBRN
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000409001158	570711026	/nfs/dbraw/zinc/71/10/26/570711026.db2.gz	UYXTZURBXFPBJX-UHFFFAOYSA-N	0	0	368.349	2.060	40	10		FECBRN
CCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)NC1=S	ZINC000409005521	570711430	/nfs/dbraw/zinc/71/14/30/570711430.db2.gz	FMEOCGGMEIQCKS-UITAMQMPSA-N	0	0	357.229	2.241	40	10		FECBRN
COCCN1C(=O)[C@H](Cc2cc(OC)c(OC)c(OC)c2)SC1=S	ZINC000008104586	539477017	/nfs/dbraw/zinc/47/70/17/539477017.db2.gz	JBCKVBUUICEMFM-ZDUSSCGKSA-N	0	0	371.480	2.130	40	10		FECBRN
CC[C@@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	ZINC000004946118	204180191	/nfs/dbraw/zinc/18/01/91/204180191.db2.gz	VPAITWKEDLFJMU-YECRJFCBSA-N	0	0	370.357	2.076	40	10		FECBRN
CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1O	ZINC000009262219	206248308	/nfs/dbraw/zinc/24/83/08/206248308.db2.gz	FNOHXNUGTHKIIE-CVEARBPZSA-N	0	0	351.362	2.463	40	10		FECBRN
Cc1ccc(NC[C@@H](O)[C@@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C	ZINC000005005339	263337928	/nfs/dbraw/zinc/33/79/28/263337928.db2.gz	BVMBLTCSAVCYFW-BDAQDMNCSA-N	0	0	359.426	2.206	40	10		FECBRN
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCC(C)C	ZINC000017076563	263372339	/nfs/dbraw/zinc/37/23/39/263372339.db2.gz	UUPXXYYLKKWRRY-ATVHPVEESA-N	0	0	374.397	2.380	40	10		FECBRN
CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OC	ZINC000408914618	558689790	/nfs/dbraw/zinc/68/97/90/558689790.db2.gz	RIRQPHMOXSUJAF-WEVVVXLNSA-N	0	0	354.815	2.004	40	10		FECBRN
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1C	ZINC000003659318	539373788	/nfs/dbraw/zinc/37/37/88/539373788.db2.gz	KSXHWZVJXIECAR-YVLHZVERSA-N	0	0	366.421	2.482	40	10		FECBRN
COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Br)ccc1O	ZINC000004714018	539391350	/nfs/dbraw/zinc/39/13/50/539391350.db2.gz	CMIJSIDLACUZOL-NSHDSACASA-N	0	0	357.229	2.121	40	10		FECBRN
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3nnc(C)s3)CC2)cc1	ZINC000025790514	539770031	/nfs/dbraw/zinc/77/00/31/539770031.db2.gz	XDUJRFOCAXOCNU-LBPRGKRZSA-N	0	0	361.471	2.004	40	10		FECBRN
COc1ccc(N2CCN(C(=O)c3cnc4ccccc4c3O)CC2)cc1	ZINC000042016928	540045565	/nfs/dbraw/zinc/04/55/65/540045565.db2.gz	REAJUJIZVSFUSV-UHFFFAOYSA-N	0	0	363.417	2.499	40	10		FECBRN
COc1ccc(N2CCN(c3ccc(C(=O)NC4CC4)cc3N)CC2)cc1	ZINC000225443239	132284999	/nfs/dbraw/zinc/28/49/99/132284999.db2.gz	HABYDSCCNLVOHO-UHFFFAOYSA-N	0	0	366.465	2.496	40	10		FECBRN
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cccc(OC)c1O	ZINC000004976553	539397747	/nfs/dbraw/zinc/39/77/47/539397747.db2.gz	CRCKWLVYOOEKTK-MKRLJBPISA-N	0	0	373.405	2.252	40	10		FECBRN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000007382610	539457135	/nfs/dbraw/zinc/45/71/35/539457135.db2.gz	ZWMSHOTZOTZOSI-UHFFFAOYSA-N	0	0	369.377	2.215	40	10		FECBRN
COc1ccc(CN2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)c(O)c1	ZINC000072347212	541801508	/nfs/dbraw/zinc/80/15/08/541801508.db2.gz	PKJNPYKGUXVQAA-UHFFFAOYSA-N	0	0	370.453	2.445	40	10		FECBRN
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	ZINC000004992984	263337480	/nfs/dbraw/zinc/33/74/80/263337480.db2.gz	ZCTYFXMLUUZMLM-VZUCSPMQSA-N	0	0	362.769	2.473	40	10		FECBRN
O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc(F)cc2)c1	ZINC000005750014	263343142	/nfs/dbraw/zinc/34/31/42/263343142.db2.gz	KUNPNMGRMWQUMU-UHFFFAOYSA-N	0	0	356.378	2.319	40	10		FECBRN
COc1ccc(N2CCC[C@]3(CN(C(=O)c4cc(C)n[nH]4)CCO3)C2)cc1	ZINC000096226319	536673466	/nfs/dbraw/zinc/67/34/66/536673466.db2.gz	YWIJHIXWJZYZEM-HXUWFJFHSA-N	0	0	370.453	2.238	40	10		FECBRN
COc1ccc(N2CCC[C@@]3(CN(Cc4cnn(C)c4)CCO3)C2)cc1	ZINC000096226306	536674281	/nfs/dbraw/zinc/67/42/81/536674281.db2.gz	UMPGSHLQEKNTDR-HXUWFJFHSA-N	0	0	356.470	2.300	40	10		FECBRN
O=C1NC(=O)c2cc(-c3ccc(/C=C4/SC(=S)NC4=O)o3)ccc21	ZINC000001084645	539338303	/nfs/dbraw/zinc/33/83/03/539338303.db2.gz	GNTYHOAPSXKMBV-WUXMJOGZSA-N	0	0	356.384	2.319	40	10		FECBRN
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCOCC2)cc1	ZINC000013674410	539589641	/nfs/dbraw/zinc/58/96/41/539589641.db2.gz	YXNNVYJDVQOPKC-UHFFFAOYSA-N	0	0	355.394	2.290	40	10		FECBRN
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1O	ZINC000027369868	539806268	/nfs/dbraw/zinc/80/62/68/539806268.db2.gz	LOXAITKVQMCGRE-BJMVGYQFSA-N	0	0	371.212	2.270	40	10		FECBRN
Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1C	ZINC000004959817	207067184	/nfs/dbraw/zinc/06/71/84/207067184.db2.gz	NARUXRZZSJCXFJ-ZZGUXWCQSA-N	0	0	359.426	2.206	40	10	in-vitro	FECBRN
CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCC	ZINC000408912717	558690087	/nfs/dbraw/zinc/69/00/87/558690087.db2.gz	RSKSPOFBTPCPHE-UXBLZVDNSA-N	0	0	368.842	2.394	40	10		FECBRN
COCCN1C(=O)[C@@H](Cc2cc3c(cc2Cl)OCO3)SC1=S	ZINC000008104699	539477411	/nfs/dbraw/zinc/47/74/11/539477411.db2.gz	PQRLBXOFIPMVRU-GFCCVEGCSA-N	0	0	359.856	2.487	40	10		FECBRN
COc1ccc(N2CCN([C@H](C)C(=O)Nc3nnc(C)s3)CC2)cc1	ZINC000025790518	539770112	/nfs/dbraw/zinc/77/01/12/539770112.db2.gz	XDUJRFOCAXOCNU-GFCCVEGCSA-N	0	0	361.471	2.004	40	10		FECBRN
COc1ccc(N2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)cc1	ZINC000035312940	539980896	/nfs/dbraw/zinc/98/08/96/539980896.db2.gz	YAMAKBWABFFLEK-UHFFFAOYSA-N	0	0	365.437	2.317	40	10		FECBRN
Cc1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1	ZINC000059305913	540864419	/nfs/dbraw/zinc/86/44/19/540864419.db2.gz	AGTNOBZHXVKQQI-UHFFFAOYSA-N	0	0	352.415	2.488	40	10		FECBRN
COc1cc(C2=N/C(=C/c3cccc(O)c3O)C(=O)O2)cc(OC)c1OC	ZINC000001571909	206888154	/nfs/dbraw/zinc/88/81/54/206888154.db2.gz	NYFWYNDZUZFYEX-KPKJPENVSA-N	0	0	371.345	2.468	40	10		FECBRN
CNS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1	ZINC000016160775	539628412	/nfs/dbraw/zinc/62/84/12/539628412.db2.gz	ZFEANDFLEKWTMZ-ATVHPVEESA-N	0	0	370.434	2.313	40	10		FECBRN
CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2ccccc2O)C1	ZINC000019573253	539662278	/nfs/dbraw/zinc/66/22/78/539662278.db2.gz	QIRCXVARUCWWIY-GFCCVEGCSA-N	0	0	353.469	2.027	40	10		FECBRN
CN(C)c1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000030497746	539882917	/nfs/dbraw/zinc/88/29/17/539882917.db2.gz	SRTSCOWIAUPUGJ-UHFFFAOYSA-N	0	0	373.478	2.358	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000001277071	206685084	/nfs/dbraw/zinc/68/50/84/206685084.db2.gz	CPZVULYMQNIWLX-XFFZJAGNSA-N	0	0	352.393	2.359	40	10		FECBRN
COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1OC	ZINC000007908489	207211647	/nfs/dbraw/zinc/21/16/47/207211647.db2.gz	QRHRYWMUQHWBDR-UHFFFAOYSA-N	0	0	350.440	2.248	40	10		FECBRN
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(O)c(OC)c1	ZINC000408797937	263496171	/nfs/dbraw/zinc/49/61/71/263496171.db2.gz	ULTWOJOSDPRKDK-UVTDQMKNSA-N	0	0	361.394	2.110	40	10		FECBRN
CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C)CC2)cc1	ZINC000019589879	539663422	/nfs/dbraw/zinc/66/34/22/539663422.db2.gz	RKFAEZZMXNQWEQ-IBGZPJMESA-N	0	0	369.517	2.191	40	10		FECBRN
CCNC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1	ZINC000225489927	132284802	/nfs/dbraw/zinc/28/48/02/132284802.db2.gz	SMYBABCKFLPVJP-UHFFFAOYSA-N	0	0	354.454	2.354	40	10		FECBRN
CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O	ZINC000409100467	558690356	/nfs/dbraw/zinc/69/03/56/558690356.db2.gz	NRHSQBRLIDKNJF-GXDHUFHOSA-N	0	0	363.395	2.488	40	10		FECBRN
CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1	ZINC000009262239	539499854	/nfs/dbraw/zinc/49/98/54/539499854.db2.gz	IULYMLMOKWSZLT-HZPDHXFCSA-N	0	0	367.361	2.168	40	10		FECBRN
COC(=O)C(C(=O)OC)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	ZINC000003845379	539373739	/nfs/dbraw/zinc/37/37/39/539373739.db2.gz	WJWBHLFHBRMVHO-UHFFFAOYSA-N	0	0	370.449	2.451	40	10		FECBRN
Cc1cc(/N=N/c2ccccc2)c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1C	ZINC000013401957	539586875	/nfs/dbraw/zinc/58/68/75/539586875.db2.gz	NARUXRZZSJCXFJ-CQSSKZMZSA-N	0	0	359.426	2.206	40	10		FECBRN
CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(NC(N)=S)C2=O)cc1	ZINC000005333947	207094164	/nfs/dbraw/zinc/09/41/64/207094164.db2.gz	FVEKIOHWKFOALO-VBKFSLOCSA-N	0	0	365.462	2.131	40	10		FECBRN
COc1ccc(O)c(CN2CCc3c(=O)[nH]c(-c4ccncc4)nc3C2)c1	ZINC000012142875	207341868	/nfs/dbraw/zinc/34/18/68/207341868.db2.gz	PVQRKYAIENTTFA-UHFFFAOYSA-N	0	0	364.405	2.104	40	10		FECBRN
CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000408917223	558689694	/nfs/dbraw/zinc/68/96/94/558689694.db2.gz	PINXLZFTXHUZAU-WEVVVXLNSA-N	0	0	354.815	2.004	40	10		FECBRN
COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(Cc2cccc(F)c2)c1	ZINC000408874400	570694340	/nfs/dbraw/zinc/69/43/40/570694340.db2.gz	AZUDKCFYRPZQKZ-UHFFFAOYSA-N	0	0	370.405	2.339	40	10		FECBRN
CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1	ZINC000009262236	539499953	/nfs/dbraw/zinc/49/99/53/539499953.db2.gz	IULYMLMOKWSZLT-CVEARBPZSA-N	0	0	367.361	2.168	40	10		FECBRN
O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1N1CCOCC1	ZINC000054361153	210068055	/nfs/dbraw/zinc/06/80/55/210068055.db2.gz	IGLKKFTYQVRSES-UVTDQMKNSA-N	0	0	358.448	2.078	40	10		FECBRN
CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccccc1O	ZINC000009262220	219876759	/nfs/dbraw/zinc/87/67/59/219876759.db2.gz	FNOHXNUGTHKIIE-HOTGVXAUSA-N	0	0	351.362	2.463	40	10		FECBRN
CCOc1cc(C=C2C(=O)NC(=S)N(CC)C2=O)cc(Cl)c1OC	ZINC000409390597	263556169	/nfs/dbraw/zinc/55/61/69/263556169.db2.gz	FPMKPBVJGVOROU-UXBLZVDNSA-N	0	0	368.842	2.394	40	10		FECBRN
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000408894972	570695755	/nfs/dbraw/zinc/69/57/55/570695755.db2.gz	SOESWYGFWBRBRD-MKRLJBPISA-N	0	0	372.377	2.446	40	10		FECBRN
O=C1/C(=C\c2ccccc2O)SC(=S)N1CCCN1CCOCC1	ZINC000031761405	539918687	/nfs/dbraw/zinc/91/86/87/539918687.db2.gz	RMDJZCZWDGOGJF-NTCAYCPXSA-N	0	0	364.492	2.316	40	10		FECBRN
CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N(C)C)cc3)ccc21	ZINC000015334887	211127844	/nfs/dbraw/zinc/12/78/44/211127844.db2.gz	SNCMORNJGVVERY-UHFFFAOYSA-N	0	0	373.478	2.140	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3c2cccc3C)SC1=S	ZINC000001810138	210371462	/nfs/dbraw/zinc/37/14/62/210371462.db2.gz	DKFLHBJALCVYSF-QBFSEMIESA-N	0	0	362.432	2.082	40	10		FECBRN
COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4)CC2)cc1	ZINC000078403704	536700466	/nfs/dbraw/zinc/70/04/66/536700466.db2.gz	ABURJJXFMJBPNE-UHFFFAOYSA-N	0	0	373.478	2.174	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	ZINC000001277149	539340797	/nfs/dbraw/zinc/34/07/97/539340797.db2.gz	RLJSSSWMUOEMAC-WQLSENKSSA-N	0	0	365.432	2.238	40	10		FECBRN
O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000012360108	539556165	/nfs/dbraw/zinc/55/61/65/539556165.db2.gz	YUXSYRCMLUKCOA-UHFFFAOYSA-N	0	0	370.415	2.221	40	10		FECBRN
CC(=O)NC1=NC(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)S1	ZINC000033731326	539975204	/nfs/dbraw/zinc/97/52/04/539975204.db2.gz	QIAWTPHKWQRKRN-YHYXMXQVSA-N	0	0	370.184	2.464	40	10		FECBRN
CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccc(O)cc1O)C2=O	ZINC000019326496	220249082	/nfs/dbraw/zinc/24/90/82/220249082.db2.gz	OZXHCCZILOOEOM-UHFFFAOYSA-N	0	0	350.418	2.255	40	10		FECBRN
CCCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC	ZINC000408868757	570693820	/nfs/dbraw/zinc/69/38/20/570693820.db2.gz	BEFKKMMIASSBAU-UHFFFAOYSA-N	0	0	354.815	2.052	40	10		FECBRN
COc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O	ZINC000409242548	570746203	/nfs/dbraw/zinc/74/62/03/570746203.db2.gz	OLHFVGHIYJVKGJ-UHFFFAOYSA-N	0	0	373.478	2.284	40	10		FECBRN
CCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC	ZINC000017074200	539639035	/nfs/dbraw/zinc/63/90/35/539639035.db2.gz	JGKRRJAUGTWREI-WJDWOHSUSA-N	0	0	360.370	2.134	40	10		FECBRN
CN(C)c1ccc(/C=c2/sc3nc(Cc4ccccc4)nn3c2=O)cc1	ZINC000096935806	210240704	/nfs/dbraw/zinc/24/07/04/210240704.db2.gz	TVCULGWQYHXYJW-SFQUDFHCSA-N	0	0	362.458	2.356	40	10		FECBRN
CCOc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1Br	ZINC000001097011	539338268	/nfs/dbraw/zinc/33/82/68/539338268.db2.gz	KUEXCWWRTUIBPE-RMKNXTFCSA-N	0	0	369.240	2.104	40	10		FECBRN
CCN1CCc2cc(CN3CCO[C@H](C(=O)N4CCCCC4)C3)ccc21	ZINC000072344555	541800645	/nfs/dbraw/zinc/80/06/45/541800645.db2.gz	VATOMZRCCLFQKI-FQEVSTJZSA-N	0	0	357.498	2.282	40	10		FECBRN
COc1cc(C(=O)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	ZINC000001747332	210368507	/nfs/dbraw/zinc/36/85/07/210368507.db2.gz	BVROSQBQXJYCOZ-UHFFFAOYSA-N	0	0	362.334	2.198	40	10		FECBRN
COc1ccc(N2CCC[C@@]3(CN(C(=O)c4cc(C)n[nH]4)CCO3)C2)cc1	ZINC000096226318	536674507	/nfs/dbraw/zinc/67/45/07/536674507.db2.gz	YWIJHIXWJZYZEM-FQEVSTJZSA-N	0	0	370.453	2.238	40	10		FECBRN
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21	ZINC000004884371	539394855	/nfs/dbraw/zinc/39/48/55/539394855.db2.gz	KRMDBRKLCRODOO-UHFFFAOYSA-N	0	0	360.391	2.125	40	10		FECBRN
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000006395077	539426861	/nfs/dbraw/zinc/42/68/61/539426861.db2.gz	AUFFOFZBHPUCBI-QDECMSLZSA-N	0	0	371.389	2.267	40	10		FECBRN
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NC1=NCCS1	ZINC000004745405	210078941	/nfs/dbraw/zinc/07/89/41/210078941.db2.gz	GIRBOJLTYNYXPQ-RMKNXTFCSA-N	0	0	369.518	2.168	40	10		FECBRN
CCOC(=O)CN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S	ZINC000001277107	210075623	/nfs/dbraw/zinc/07/56/23/210075623.db2.gz	IMRDEOZMPXDEGO-JYRVWZFOSA-N	0	0	367.448	2.468	40	10		FECBRN
CN1C(=O)C(=CNc2ccc(Br)cc2Cl)C(=O)N(C)C1=O	ZINC000060512849	541116479	/nfs/dbraw/zinc/11/64/79/541116479.db2.gz	BYBRZMJNCFLMJS-UHFFFAOYSA-N	0	0	372.606	2.449	40	10		FECBRN
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000005006502	263337354	/nfs/dbraw/zinc/33/73/54/263337354.db2.gz	MFTPOHLXOKEPSB-LFIBNONCSA-N	0	0	352.346	2.457	40	10		FECBRN
COc1ccc(N2CCC[C@@]3(CN(Cc4cncn4C)CCO3)C2)cc1	ZINC000096226310	536674097	/nfs/dbraw/zinc/67/40/97/536674097.db2.gz	XYGDUEKPIQAUSL-HXUWFJFHSA-N	0	0	356.470	2.300	40	10		FECBRN
O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1cccc([N+](=O)[O-])c1	ZINC000005552852	539413325	/nfs/dbraw/zinc/41/33/25/539413325.db2.gz	IYTSRYFUTQTFTN-WQLSENKSSA-N	0	0	374.403	2.469	40	10		FECBRN
COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1OCC(N)=O	ZINC000006489744	539429343	/nfs/dbraw/zinc/42/93/43/539429343.db2.gz	GKLMJHVYAASSGR-MHWRWJLKSA-N	0	0	365.389	2.365	40	10		FECBRN
CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C	ZINC000006950732	539442445	/nfs/dbraw/zinc/44/24/45/539442445.db2.gz	AGFUZUQAXMARCF-RAXLEYEMSA-N	0	0	361.394	2.405	40	10		FECBRN
COC(=O)CN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S	ZINC000001237711	210076782	/nfs/dbraw/zinc/07/67/82/210076782.db2.gz	JZFCLQXMDBCOPC-DAXSKMNVSA-N	0	0	362.226	2.416	40	10		FECBRN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S	ZINC000001276959	210075714	/nfs/dbraw/zinc/07/57/14/210075714.db2.gz	AOJUWBUNWWSWIV-HLPMDPMVSA-N	0	0	353.421	2.164	40	10		FECBRN
Cc1ccnc(N[C@@H](c2ccccc2O)c2oc(CO)cc(=O)c2O)c1	ZINC000000945134	525697941	/nfs/dbraw/zinc/69/79/41/525697941.db2.gz	FHXJAOWZPUKPTO-KRWDZBQOSA-N	0	0	354.362	2.448	40	10		FECBRN
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCOCC1	ZINC000001236362	219392506	/nfs/dbraw/zinc/39/25/06/219392506.db2.gz	GDZMSQCGVAUGTB-WYMLVPIESA-N	0	0	362.476	2.137	40	10		FECBRN
COc1ccc(N2CCN(c3ccc(N)cc3C(=O)NC3CC3)CC2)cc1	ZINC000225490061	132284862	/nfs/dbraw/zinc/28/48/62/132284862.db2.gz	FNCCNEIJHLJCNM-UHFFFAOYSA-N	0	0	366.465	2.496	40	10		FECBRN
C/C(NN1CCN(C)CC1)=C1\C(C)=NN(c2nc3ccccc3s2)C1=O	ZINC000103916609	543118410	/nfs/dbraw/zinc/11/84/10/543118410.db2.gz	DUIYDUUBQFIMBK-VBKFSLOCSA-N	0	0	370.482	2.045	40	10		FECBRN
COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O	ZINC000408547941	558686708	/nfs/dbraw/zinc/68/67/08/558686708.db2.gz	AXWPGBYRTYNVPC-YBEGLDIGSA-N	0	0	353.378	2.160	40	10		FECBRN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000001277033	539340890	/nfs/dbraw/zinc/34/08/90/539340890.db2.gz	YSYHKKAEZRSNSB-QJZKUFFDSA-N	0	0	351.405	2.178	40	10		FECBRN
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Cl)cc1OC	ZINC000059140108	540863792	/nfs/dbraw/zinc/86/37/92/540863792.db2.gz	NGPCNVOCJIJDIV-UHFFFAOYSA-N	0	0	368.842	2.346	40	10		FECBRN
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NN1CCN(C)CC1	ZINC000112116362	543431153	/nfs/dbraw/zinc/43/11/53/543431153.db2.gz	XJGRWCRZXHRMTR-JXAWBTAJSA-N	0	0	359.449	2.354	40	10		FECBRN
CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000004710340	539390273	/nfs/dbraw/zinc/39/02/73/539390273.db2.gz	VEQTYPIAQUIIKF-MRXNPFEDSA-N	0	0	356.430	2.371	40	10		FECBRN
CC[C@@H]1C[C@H](O)c2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O	ZINC000004946116	539397193	/nfs/dbraw/zinc/39/71/93/539397193.db2.gz	VPAITWKEDLFJMU-GHTXELIDSA-N	0	0	370.357	2.076	40	10		FECBRN
CC(=O)[C@@H](N=Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C	ZINC000104124473	222350750	/nfs/dbraw/zinc/35/07/50/222350750.db2.gz	XJQZLLRNUMTZNK-MODMUFLJSA-N	0	0	374.422	2.322	40	10		FECBRN
COC(=O)C[C@@H]1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000219781172	548697011	/nfs/dbraw/zinc/69/70/11/548697011.db2.gz	SWBPOSZDPHMPHI-ZDUSSCGKSA-N	0	0	369.464	2.038	40	10		FECBRN
CN1C(=O)C(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N(C)C1=O	ZINC000408718236	558689356	/nfs/dbraw/zinc/68/93/56/558689356.db2.gz	DHHCGLDHFFFDLN-UHFFFAOYSA-N	0	0	358.137	2.335	40	10		FECBRN
COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1	ZINC000008029059	539475190	/nfs/dbraw/zinc/47/51/90/539475190.db2.gz	LPHFBYKYBDFEPJ-UHFFFAOYSA-N	0	0	368.433	2.358	40	10		FECBRN
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2F)cc1	ZINC000059418056	540865120	/nfs/dbraw/zinc/86/51/20/540865120.db2.gz	VUYFUXMOWHPBMY-UHFFFAOYSA-N	0	0	356.378	2.319	40	10		FECBRN
Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)NN=C1C	ZINC000408997988	263515798	/nfs/dbraw/zinc/51/57/98/263515798.db2.gz	PPMDAPSZGRQRKS-QPEQYQDCSA-N	0	0	370.325	2.195	40	10		FECBRN
CN(C)c1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)cc1	ZINC000248142309	549410727	/nfs/dbraw/zinc/41/07/27/549410727.db2.gz	UPRZORSELLRNIK-YLJYHZDGSA-N	0	0	371.506	2.258	40	10		FECBRN
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OC	ZINC000005592966	539413226	/nfs/dbraw/zinc/41/32/26/539413226.db2.gz	OTBNHIRIMMLFRK-UHFFFAOYSA-N	0	0	368.842	2.346	40	10		FECBRN
COCCN1C(=O)[C@H](Cc2cc3c(cc2Cl)OCO3)SC1=S	ZINC000008104613	539477455	/nfs/dbraw/zinc/47/74/55/539477455.db2.gz	PQRLBXOFIPMVRU-LBPRGKRZSA-N	0	0	359.856	2.487	40	10		FECBRN
O=C1N[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Nc2ccccc21	ZINC000004499093	132823488	/nfs/dbraw/zinc/82/34/88/132823488.db2.gz	TXXHLSNAHRBTHK-QGZVFWFLSA-N	0	0	354.366	2.286	40	10		FECBRN
COC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O	ZINC000408549130	558686810	/nfs/dbraw/zinc/68/68/10/558686810.db2.gz	PMFPNULSSASWMR-LFIBNONCSA-N	0	0	357.410	2.051	40	10		FECBRN
CC(=O)[C@H](N=Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C	ZINC000104124490	222350545	/nfs/dbraw/zinc/35/05/45/222350545.db2.gz	XJQZLLRNUMTZNK-BZROSYFNSA-N	0	0	374.422	2.322	40	10		FECBRN
COC(=O)COc1c(/C=C2\SC(=S)N(C)C2=O)cccc1OC	ZINC000408535786	558686231	/nfs/dbraw/zinc/68/62/31/558686231.db2.gz	WKXIZZQRUCLCSC-XFFZJAGNSA-N	0	0	353.421	2.078	40	10		FECBRN
CCN(CCO)C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000005857320	539417814	/nfs/dbraw/zinc/41/78/14/539417814.db2.gz	RDUGOGYZCNBECM-ZRDIBKRKSA-N	0	0	370.521	2.180	40	10		FECBRN
CCCc1c(COC)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O	ZINC000022448531	539695279	/nfs/dbraw/zinc/69/52/79/539695279.db2.gz	GCPBZRDZOHFOFP-UHFFFAOYSA-N	0	0	372.469	2.204	40	10		FECBRN
C#CCOc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000035088241	539979237	/nfs/dbraw/zinc/97/92/37/539979237.db2.gz	PTPBWEISULUZHZ-AQTBWJFISA-N	0	0	361.401	2.226	40	10		FECBRN
COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1	ZINC000113832597	263452106	/nfs/dbraw/zinc/45/21/06/263452106.db2.gz	VXGZQYICAZZAIE-UHFFFAOYSA-N	0	0	355.419	2.017	40	10		FECBRN
CC[NH+](CC)CCNC(=O)c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000005460263	539411224	/nfs/dbraw/zinc/41/12/24/539411224.db2.gz	OLFIMLXZAYOHQX-UHFFFAOYSA-N	0	0	366.417	2.239	40	10		FECBRN
O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1N1CCOCC1	ZINC000054360803	221053359	/nfs/dbraw/zinc/05/33/59/221053359.db2.gz	OLPXNUDEBZOPTQ-GDNBJRDFSA-N	0	0	360.460	2.454	40	10		FECBRN
CC(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)c1	ZINC000408917045	558689635	/nfs/dbraw/zinc/68/96/35/558689635.db2.gz	LLCRWADNLVXWGQ-NTEUORMPSA-N	0	0	354.387	2.406	40	10		FECBRN
COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OC(C)C	ZINC000408917564	558689774	/nfs/dbraw/zinc/68/97/74/558689774.db2.gz	XHBVZBUKDRZPHW-BJMVGYQFSA-N	0	0	368.842	2.392	40	10		FECBRN
COc1ccc(N2CCN(C(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC2)cc1	ZINC000006386130	539426754	/nfs/dbraw/zinc/42/67/54/539426754.db2.gz	HAWNZINVYJBXJB-RTWAWAEBSA-N	0	0	372.465	2.466	40	10		FECBRN
COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c([N+](=O)[O-])cc1OC	ZINC000058866112	540858070	/nfs/dbraw/zinc/85/80/70/540858070.db2.gz	KXAPRDBMJQHXQN-UHFFFAOYSA-N	0	0	363.322	2.366	40	10		FECBRN
CN(C)c1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)cc1	ZINC000096244846	222098064	/nfs/dbraw/zinc/09/80/64/222098064.db2.gz	UPRZORSELLRNIK-XLIONFOSSA-N	0	0	371.506	2.258	40	10		FECBRN
Cc1cc(/N=N/c2ccccc2)c(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1C	ZINC000100589624	222247495	/nfs/dbraw/zinc/24/74/95/222247495.db2.gz	NARUXRZZSJCXFJ-XRRWRBOQSA-N	0	0	359.426	2.206	40	10		FECBRN
OCCCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1	ZINC000328965862	534362492	/nfs/dbraw/zinc/36/24/92/534362492.db2.gz	CFUWZDBKDKXNRU-UHFFFAOYSA-N	0	0	371.828	2.279	40	10		FECBRN
CN1C(=O)C(=Cc2ccc3c(c2)OCC(C)(C)CO3)C(=O)N(C)C1=S	ZINC000225370020	548732617	/nfs/dbraw/zinc/73/26/17/548732617.db2.gz	MSEOQOTVZSYDNR-UHFFFAOYSA-N	0	0	360.435	2.083	40	10		FECBRN
CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S	ZINC000408917179	558689723	/nfs/dbraw/zinc/68/97/23/558689723.db2.gz	OIZBRNMRPJVTMF-WQLSENKSSA-N	0	0	357.347	2.111	40	10		FECBRN