smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1S[C@@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@@]1(O)c1ccccc1	ZINC000004344661	204040120	/nfs/dbraw/zinc/04/01/20/204040120.db2.gz	IFJQETUKALJECG-RMJJICAUSA-N	0	0	387.888	4.087	10	30		GIEERN
CCn1c2ccc(Br)cc2c2nnc(N=NCc3ccccc3)nc21	ZINC000040827519	205072396	/nfs/dbraw/zinc/07/23/96/205072396.db2.gz	GXAJYUDNTRMNJP-RGVLZGJSSA-N	0	0	395.264	4.208	10	30		GIEERN
N#Cc1cc(NC(=O)Cn2c3ccccc3nc2-c2cscn2)ccc1Cl	ZINC000053887974	205138816	/nfs/dbraw/zinc/13/88/16/205138816.db2.gz	MTMZBNWINAKSGB-UHFFFAOYSA-N	0	0	393.859	4.324	10	30		GIEERN
C#CCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1	ZINC000073638338	518295348	/nfs/dbraw/zinc/29/53/48/518295348.db2.gz	SMEUJHWJCGXQBM-UHFFFAOYSA-N	0	0	384.023	4.262	10	30		GIEERN
COc1ccc(C(C)=NNC(=Nc2ccccc2)c2ccccn2)cc1[N+](=O)[O-]	ZINC000020073795	523362213	/nfs/dbraw/zinc/36/22/13/523362213.db2.gz	AVIDUQQURDUIRD-BUVRLJJBSA-N	0	0	389.415	4.281	10	30		GIEERN
C=CCc1cc(OC)c(O[C@@H](C)[C@@H](OC)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000049601740	560083701	/nfs/dbraw/zinc/08/37/01/560083701.db2.gz	YRXTUYZHIHAYPF-LHSJRXKWSA-N	0	0	388.460	4.302	10	30		GIEERN
N#Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1	ZINC000023319422	570796100	/nfs/dbraw/zinc/79/61/00/570796100.db2.gz	WGEQVBXJAUGZEC-DEOSSOPVSA-N	0	0	399.469	4.245	10	30		GIEERN
C=CCc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	ZINC000001284761	203778326	/nfs/dbraw/zinc/77/83/26/203778326.db2.gz	ORXNKVORZSVLHM-UHFFFAOYSA-N	0	0	385.485	4.160	10	30		GIEERN
N#Cc1ccc(Cl)cc1NC(=O)c1ccc(I)cc1	ZINC000042252801	205080301	/nfs/dbraw/zinc/08/03/01/205080301.db2.gz	IXISOGLRXUVKTM-UHFFFAOYSA-N	0	0	382.588	4.069	10	30		GIEERN
CC(C)N(Cc1ccccc1C#N)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000095088147	205439932	/nfs/dbraw/zinc/43/99/32/205439932.db2.gz	KRHJQXCULOIAAI-IBGZPJMESA-N	0	0	385.508	4.085	10	30		GIEERN
Cc1nn(-c2ccc(NC(=O)c3cccc(C#N)c3)cc2)c(C)c1Br	ZINC000027924734	206020603	/nfs/dbraw/zinc/02/06/03/206020603.db2.gz	HDLQKEKEWZUDCP-UHFFFAOYSA-N	0	0	395.260	4.376	10	30		GIEERN
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)n2cc(C#N)c3ccccc32)CC1	ZINC000226362804	136192828	/nfs/dbraw/zinc/19/28/28/136192828.db2.gz	ZXWOANDZKCEZOU-UHFFFAOYSA-N	0	0	388.427	4.346	10	30		GIEERN
C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]21C	ZINC000033911351	518352642	/nfs/dbraw/zinc/35/26/42/518352642.db2.gz	UQWZWQYTKPEDAK-MRKXFKPJSA-N	0	0	380.484	4.403	10	30		GIEERN
C=CCOc1ccc(C=C2NC(=S)N(C3CCCCC3)C2=O)cc1OCC	ZINC000038204413	519013285	/nfs/dbraw/zinc/01/32/85/519013285.db2.gz	ZNOUVUBSLKQYEC-GHRIWEEISA-N	0	0	386.517	4.452	10	30		GIEERN
CCOc1cc(/C=N\n2cnnc2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000033317887	520645844	/nfs/dbraw/zinc/64/58/44/520645844.db2.gz	AFBFDFFOWXKZOB-AQHIEDMUSA-N	0	0	391.258	4.445	10	30		GIEERN
CCOc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1OC	ZINC000000940381	520855767	/nfs/dbraw/zinc/85/57/67/520855767.db2.gz	ARJNGQIHGPQNEL-UUYOSTAYSA-N	0	0	382.489	4.168	10	30		GIEERN
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000100034533	523404501	/nfs/dbraw/zinc/40/45/01/523404501.db2.gz	ZMGUKFHHNQMKJI-ZUIFKJIVSA-N	0	0	396.439	4.459	10	30		GIEERN
NS(=O)(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(Cl)cc3)o2)cc1	ZINC000033376744	527306331	/nfs/dbraw/zinc/30/63/31/527306331.db2.gz	VIQGXPOPASUKRN-XFFZJAGNSA-N	0	0	387.844	4.144	10	30		GIEERN
COc1ccccc1CSc1nnc(NN=Cc2c[nH]c3ccccc23)[nH]1	ZINC000006249065	570473946	/nfs/dbraw/zinc/47/39/46/570473946.db2.gz	DRWGWYYNGRMGNP-SRZZPIQSSA-N	0	0	378.461	4.033	10	30		GIEERN
N#Cc1ccc(Cl)cc1NC(=O)c1ccccc1I	ZINC000042252806	205080320	/nfs/dbraw/zinc/08/03/20/205080320.db2.gz	RUMKPSFYFRQALA-UHFFFAOYSA-N	0	0	382.588	4.069	10	30		GIEERN
C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C	ZINC000077292093	206210907	/nfs/dbraw/zinc/21/09/07/206210907.db2.gz	UQWZWQYTKPEDAK-URYYLNOGSA-N	0	0	380.484	4.403	10	30	in-vitro	GIEERN
C[C@@H]1CCCCN1c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-]	ZINC000226362670	136192777	/nfs/dbraw/zinc/19/27/77/136192777.db2.gz	SKZXPOHEMVYCBV-OAHLLOKOSA-N	0	0	388.427	4.488	10	30		GIEERN
C=CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1CCCCC1	ZINC000022322143	518733494	/nfs/dbraw/zinc/73/34/94/518733494.db2.gz	OFOTZPDUVNHFAO-QGZVFWFLSA-N	0	0	378.925	4.490	10	30		GIEERN
C=CCNC(=O)Nc1cccc(N2CCCN(Cc3cccc(Cl)c3)C2=O)c1	ZINC000037544202	518912388	/nfs/dbraw/zinc/91/23/88/518912388.db2.gz	ONVWTDXUKQCXPW-UHFFFAOYSA-N	0	0	398.894	4.480	10	30		GIEERN
C=CCn1c(SCCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1	ZINC000020357014	519233493	/nfs/dbraw/zinc/23/34/93/519233493.db2.gz	LGEXAWFMEUBJAZ-UHFFFAOYSA-N	0	0	393.516	4.264	10	30		GIEERN
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCC	ZINC000072399518	520006866	/nfs/dbraw/zinc/00/68/66/520006866.db2.gz	CRVGCEIWUOFGLZ-VWPQPMDRSA-N	0	0	387.605	4.077	10	30	in-vitro	GIEERN
COc1cc(C=Nc2nc(N)n[nH]2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000003094853	522000759	/nfs/dbraw/zinc/00/07/59/522000759.db2.gz	FSFYTTCYDMUCNK-ODCIPOBUSA-N	0	0	392.246	4.032	10	30		GIEERN
CC[C@@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1	ZINC000097950216	522597840	/nfs/dbraw/zinc/59/78/40/522597840.db2.gz	KJKRNEOSUNTBHY-VIFPVBQESA-N	0	0	396.303	4.497	10	30		GIEERN
COc1ccc(CCN2C(=O)CSC2=Nc2ccc(C)cc2C)cc1OC	ZINC000254393881	523944764	/nfs/dbraw/zinc/94/47/64/523944764.db2.gz	WNSSOPHKWZVMBX-UHFFFAOYSA-N	0	0	384.501	4.126	10	30		GIEERN
Cc1cc(OC[C@@H]2CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)ccc1Cl	ZINC000022625347	525374139	/nfs/dbraw/zinc/37/41/39/525374139.db2.gz	DVYBLFQOMLTGRA-UZLBHIALSA-N	0	0	398.890	4.196	10	30		GIEERN
O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)N1CCCC1	ZINC000100040670	527268442	/nfs/dbraw/zinc/26/84/42/527268442.db2.gz	OZDGKEHMZXHXLM-PXLXIMEGSA-N	0	0	380.469	4.081	10	30		GIEERN
CCCCCCCCCCCC[C@@H](C)[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-]	ZINC000137503453	717151223	/nfs/dbraw/zinc/15/12/23/717151223.db2.gz	WUFUEDSZDGCOQR-MOPGFXCFSA-O	0	0	380.615	4.011	10	30		GIEERN
CCCCCCCCCCCC[C@H](C)[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-]	ZINC000137503533	717151350	/nfs/dbraw/zinc/15/13/50/717151350.db2.gz	WUFUEDSZDGCOQR-OALUTQOASA-O	0	0	380.615	4.011	10	30		GIEERN
COc1ccc(/C=C\C(=O)c2cn(C)nc2C)cc1Cn1nc(C)c(Cl)c1C	ZINC000035679363	230922863	/nfs/dbraw/zinc/92/28/63/230922863.db2.gz	QWEDYBJNWFBJMQ-VURMDHGXSA-N	0	0	398.894	4.148	10	30		GIEERN
COc1ccc(C(=O)CSc2nc(-c3cccnc3)cc(C)c2C#N)cc1	ZINC000001057966	203878667	/nfs/dbraw/zinc/87/86/67/203878667.db2.gz	QCAGAHGTUNRGMR-UHFFFAOYSA-N	0	0	375.453	4.307	10	30		GIEERN
CC(=CC(=O)Nc1ccc(Br)cc1)NNc1ccc([N+](=O)[O-])cc1	ZINC000005282610	204122760	/nfs/dbraw/zinc/12/27/60/204122760.db2.gz	DYPCXCUGPHKKFP-YBFXNURJSA-N	0	0	391.225	4.174	10	30		GIEERN
COc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1	ZINC000005720407	204149038	/nfs/dbraw/zinc/14/90/38/204149038.db2.gz	OAIPWSSNBFGJPW-KQWNVCNZSA-N	0	0	392.480	4.197	10	30		GIEERN
CCN(CC)S(=O)(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000005794736	204151164	/nfs/dbraw/zinc/15/11/64/204151164.db2.gz	SGDXAFMIKPSXJW-UNOMPAQXSA-N	0	0	395.868	4.029	10	30		GIEERN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000095088109	205439448	/nfs/dbraw/zinc/43/94/48/205439448.db2.gz	BJFASDMOMZUFGY-LJQANCHMSA-N	0	0	385.508	4.085	10	30		GIEERN
CC(=NNc1ccc(C)c(Cl)c1)c1ccc(OCC(=O)N2CCCC2)cc1	ZINC000038374250	518451629	/nfs/dbraw/zinc/45/16/29/518451629.db2.gz	WINWWFLCKZBGCB-KQWNVCNZSA-N	0	0	385.895	4.486	10	30		GIEERN
CCOc1ccc(/C=N\n2cnnc2SCc2ccccc2)cc1OCC	ZINC000000940349	520855965	/nfs/dbraw/zinc/85/59/65/520855965.db2.gz	PXPBDAHEIMPJKY-XKZIYDEJSA-N	0	0	382.489	4.250	10	30		GIEERN
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000100034538	523429634	/nfs/dbraw/zinc/42/96/34/523429634.db2.gz	ZMGUKFHHNQMKJI-QYXFOCPYSA-N	0	0	396.439	4.459	10	30		GIEERN
Cc1cc(OC[C@H]2CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)ccc1Cl	ZINC000022625337	525374384	/nfs/dbraw/zinc/37/43/84/525374384.db2.gz	DVYBLFQOMLTGRA-OXQOHEQNSA-N	0	0	398.890	4.196	10	30		GIEERN
Cc1ccc(S(=O)(=O)N/N=C2\CCCC[C@@H]2C2CCCCC2)cc1[N+](=O)[O-]	ZINC000013144769	525516352	/nfs/dbraw/zinc/51/63/52/525516352.db2.gz	OORHLORIUYXOBG-QTIQAUKSSA-N	0	0	393.509	4.308	10	30		GIEERN
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC000000827139	570374801	/nfs/dbraw/zinc/37/48/01/570374801.db2.gz	SUOSWVPYYNXCQZ-UHFFFAOYSA-N	0	0	385.514	4.024	10	30		GIEERN
C=C1[C@@H]2CC(=O)[C@H]([C@H](C)OC(C)=O)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC	ZINC000059589139	291135066	/nfs/dbraw/zinc/13/50/66/291135066.db2.gz	CFUPNMDNSQIWBB-NKJCMUPYSA-N	0	0	390.520	4.260	10	30	biogenic,in-vitro	GIEERN
Cc1ccccc1/C=N\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000005748317	204149622	/nfs/dbraw/zinc/14/96/22/204149622.db2.gz	OBXVVNVXIIWJMD-KQWNVCNZSA-N	0	0	376.481	4.497	10	30		GIEERN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1	ZINC000006103944	204165956	/nfs/dbraw/zinc/16/59/56/204165956.db2.gz	BLNFXRNQYOCXES-NDENLUEZSA-N	0	0	387.347	4.430	10	30		GIEERN
Cc1c(C(=O)NC(C)(C)C)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2	ZINC000040814690	205073027	/nfs/dbraw/zinc/07/30/27/205073027.db2.gz	HKEYJHQTZGUXNJ-HZHRSRAPSA-N	0	0	384.436	4.177	10	30		GIEERN
Cc1ccc(Cn2c(-c3cccn3C)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1	ZINC000066339863	205241162	/nfs/dbraw/zinc/24/11/62/205241162.db2.gz	JYVMDDPYNSKLCW-UHFFFAOYSA-N	0	0	385.389	4.409	10	30		GIEERN
Cc1nn(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c(C)c1Br	ZINC000027924620	206021273	/nfs/dbraw/zinc/02/12/73/206021273.db2.gz	VGJYZLUUKZIXIM-UHFFFAOYSA-N	0	0	395.260	4.376	10	30		GIEERN
C#C[C@@](NC(=O)OCc1ccccc1)(C(F)(F)F)P(=O)(OCC)OCC	ZINC000091252848	206210398	/nfs/dbraw/zinc/21/03/98/206210398.db2.gz	LVJJUTUHAFUPLE-HNNXBMFYSA-N	0	0	393.298	4.071	10	30		GIEERN
C#C[C@](NC(=O)OCc1ccccc1)(C(F)(F)F)P(=O)(OCC)OCC	ZINC000091252849	206210991	/nfs/dbraw/zinc/21/09/91/206210991.db2.gz	LVJJUTUHAFUPLE-OAHLLOKOSA-N	0	0	393.298	4.071	10	30		GIEERN
C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1	ZINC000226333331	518295391	/nfs/dbraw/zinc/29/53/91/518295391.db2.gz	PQQBOLZITNGSMX-CSKARUKUSA-N	0	0	389.220	4.357	10	30		GIEERN
C#C[C@]1(O)[C@H](O)C[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@@]21C	ZINC000035565235	518358193	/nfs/dbraw/zinc/35/81/93/518358193.db2.gz	CHZJRGNDJLJLAW-YDUAIELLSA-N	0	0	380.528	4.199	10	30		GIEERN
CCOC(=O)c1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C)cc1	ZINC000034387422	521464081	/nfs/dbraw/zinc/46/40/81/521464081.db2.gz	OWTWODOCDKOCGS-JRLDGGGSSA-N	0	0	384.432	4.236	10	30		GIEERN
COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc(OC)c1O	ZINC000005752471	521987421	/nfs/dbraw/zinc/98/74/21/521987421.db2.gz	ANLAVYGXYIXQSU-GFUUNDCYSA-N	0	0	388.423	4.116	10	30		GIEERN
COc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1CN1CCOCC1	ZINC000033414255	523429188	/nfs/dbraw/zinc/42/91/88/523429188.db2.gz	WAMSNMCYMQEZLN-HYXAFXHYSA-N	0	0	395.543	4.326	10	30		GIEERN
Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1	ZINC000028629523	525534868	/nfs/dbraw/zinc/53/48/68/525534868.db2.gz	VQBKNFJOAVJQLI-KRWDZBQOSA-N	0	0	376.437	4.234	10	30		GIEERN
Cn1ccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3)o2)n1	ZINC000033580341	527337843	/nfs/dbraw/zinc/33/78/43/527337843.db2.gz	VZHNDSDCOOXCMJ-CMDGGOBGSA-N	0	0	387.233	4.251	10	30		GIEERN
C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2cccc(OC)c2)on1	ZINC000011998977	570452975	/nfs/dbraw/zinc/45/29/75/570452975.db2.gz	KXKMZIMXHQZOAQ-UHFFFAOYSA-N	0	0	382.460	4.389	10	30		GIEERN
C=C1[C@@H]2CC(=O)[C@H]([C@@H](C)OC(C)=O)[C@H]2[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC	ZINC000096054715	570485702	/nfs/dbraw/zinc/48/57/02/570485702.db2.gz	CFUPNMDNSQIWBB-UUVDBSHOSA-N	0	0	390.520	4.260	10	30		GIEERN
CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1cccc(F)c1C#N)CC2	ZINC000275837104	570699321	/nfs/dbraw/zinc/69/93/21/570699321.db2.gz	VRIRRHANOBVGHW-FQEVSTJZSA-N	0	0	383.492	4.166	10	30		GIEERN
CCCCCCCCCCCCCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)[O-]	ZINC000137506711	717151213	/nfs/dbraw/zinc/15/12/13/717151213.db2.gz	WNAYWULQAXJNCW-FQEVSTJZSA-O	0	0	394.642	4.403	10	30		GIEERN
CCOC(=O)[C@@H]1S[C@@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@@]1(O)c1ccccc1	ZINC000004344662	204040898	/nfs/dbraw/zinc/04/08/98/204040898.db2.gz	IFJQETUKALJECG-LXZJYRNTSA-N	0	0	387.888	4.087	10	30		GIEERN
CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2C#N)CC1	ZINC000117330849	205681015	/nfs/dbraw/zinc/68/10/15/205681015.db2.gz	GTJTZGCKYOZRNX-UHFFFAOYSA-N	0	0	380.286	4.132	10	30		GIEERN
C=CCOC(=O)c1ccc2nc(-c3cncc(Br)c3)sc2c1	ZINC000073635248	518978935	/nfs/dbraw/zinc/97/89/35/518978935.db2.gz	GNUXOQOPOUIORT-UHFFFAOYSA-N	0	0	375.247	4.464	10	30		GIEERN
C=CCOc1cccc2c1cc(C(=O)N1CCCCC1)n2C[C@@H]1CCCCO1	ZINC000035927833	519062613	/nfs/dbraw/zinc/06/26/13/519062613.db2.gz	JMNBCYDOPPCGOC-SFHVURJKSA-N	0	0	382.504	4.401	10	30		GIEERN
CCOc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	ZINC000005718632	520856315	/nfs/dbraw/zinc/85/63/15/520856315.db2.gz	VWHNEDRKEPIGQF-XLNRJJMWSA-N	0	0	386.517	4.401	10	30		GIEERN
CCOc1ccccc1/C=N\c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000005718881	521449397	/nfs/dbraw/zinc/44/93/97/521449397.db2.gz	SVROFHZFEKVKGU-XLNRJJMWSA-N	0	0	386.517	4.401	10	30		GIEERN
COc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1	ZINC000100037717	523456011	/nfs/dbraw/zinc/45/60/11/523456011.db2.gz	OAIPWSSNBFGJPW-XQNSMLJCSA-N	0	0	392.480	4.197	10	30		GIEERN
Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000028629527	525533264	/nfs/dbraw/zinc/53/32/64/525533264.db2.gz	BAOKZHJPPNVFEF-IBGZPJMESA-N	0	0	388.398	4.312	10	30		GIEERN
Cc1ccc(/N=C2\c3ccccc3N(CN3CCCC3)C2=O)cc1Br	ZINC000103758606	525973400	/nfs/dbraw/zinc/97/34/00/525973400.db2.gz	ONKONDDKQPBBQE-ZBJSNUHESA-N	0	0	398.304	4.278	10	30		GIEERN
CCn1cc(C(=O)/C=C\c2ccc(OC)c(Cn3cc(Cl)cn3)c2)c(C)n1	ZINC000035679499	230922743	/nfs/dbraw/zinc/92/27/43/230922743.db2.gz	JVMFKYZPQGWSHS-ALCCZGGFSA-N	0	0	384.867	4.014	10	30		GIEERN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)c1	ZINC000005125994	204112522	/nfs/dbraw/zinc/11/25/22/204112522.db2.gz	RMXCKPVUNXYROK-NRFANRHFSA-N	0	0	385.419	4.478	10	30		GIEERN
C/N=c1\scc(-c2ccc(Cl)s2)n1/N=C/c1cccc([N+](=O)[O-])c1	ZINC000005781982	204151463	/nfs/dbraw/zinc/15/14/63/204151463.db2.gz	LKDLZMBQJLNFIK-MDCRQLBCSA-N	0	0	378.866	4.252	10	30		GIEERN
COc1ccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC	ZINC000005446414	204132855	/nfs/dbraw/zinc/13/28/55/204132855.db2.gz	NFDFOGXGKSCYTI-QPJQQBGISA-N	0	0	389.761	4.226	10	30		GIEERN
CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)C1=O	ZINC000008382369	204274510	/nfs/dbraw/zinc/27/45/10/204274510.db2.gz	HANDQIRUHFULHY-UHFFFAOYSA-N	0	0	378.465	4.323	10	30		GIEERN
N#Cc1ccccc1CN1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O	ZINC000059325890	205178714	/nfs/dbraw/zinc/17/87/14/205178714.db2.gz	HOHSIRJMBDJITD-ZYCDCXAISA-N	0	0	391.408	4.259	10	30		GIEERN
COc1ccc(C/N=C(/O[C@@H]2C=C[C@@H]3OC4(CCCCC4)O[C@H]23)SC)cc1	ZINC000065743200	523865637	/nfs/dbraw/zinc/86/56/37/523865637.db2.gz	KIUZNHJEZGERLV-FUBUIZRSSA-N	0	0	389.517	4.314	10	30	in-vitro	GIEERN
COc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000100037837	524326794	/nfs/dbraw/zinc/32/67/94/524326794.db2.gz	RYFIMLYCTYXZOC-XQNSMLJCSA-N	0	0	392.480	4.197	10	30		GIEERN
COc1ccccc1CNC=C1Nc2ccc(Br)c(Cl)c2C1=O	ZINC000100292274	524445866	/nfs/dbraw/zinc/44/58/66/524445866.db2.gz	GZLZLNQBCKFSLM-LCYFTJDESA-N	0	0	393.668	4.351	10	30		GIEERN
Cc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000100037701	525042444	/nfs/dbraw/zinc/04/24/44/525042444.db2.gz	OBXVVNVXIIWJMD-XQNSMLJCSA-N	0	0	376.481	4.497	10	30		GIEERN
Cc1cc(OC[C@@H]2CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)ccc1Cl	ZINC000022625342	525374471	/nfs/dbraw/zinc/37/44/71/525374471.db2.gz	DVYBLFQOMLTGRA-JXFKEZNVSA-N	0	0	398.890	4.196	10	30		GIEERN
CSc1nc(Cl)c(/C=N\OC(=O)c2ccc(Cl)cc2)c(Cl)n1	ZINC000033381078	526213592	/nfs/dbraw/zinc/21/35/92/526213592.db2.gz	OIAGLSBKYPAWKX-FMQZQXMHSA-N	0	0	376.652	4.350	10	30		GIEERN
CCOc1cc(C=NN2CN=NC2=S)ccc1OCc1ccccc1Cl	ZINC000001789222	528201560	/nfs/dbraw/zinc/20/15/60/528201560.db2.gz	OGUPGFWMIJCZMH-FBHDLOMBSA-N	0	0	388.880	4.080	10	30		GIEERN
C=C(C)Cn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21	ZINC000008787179	203774611	/nfs/dbraw/zinc/77/46/11/203774611.db2.gz	XBDHRCWBSVPWCP-UHFFFAOYSA-N	0	0	377.532	4.488	10	30		GIEERN
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2	ZINC000005868877	204154660	/nfs/dbraw/zinc/15/46/60/204154660.db2.gz	WXAGOOYQWDNCFO-HNNXBMFYSA-N	0	0	387.530	4.288	10	30		GIEERN
CC[C@@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000005909290	204157234	/nfs/dbraw/zinc/15/72/34/204157234.db2.gz	UORBWZZLNHSZFQ-VNQPRFMTSA-N	0	0	386.517	4.361	10	30		GIEERN
C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1c[nH]c2ccccc12	ZINC000012603115	518572770	/nfs/dbraw/zinc/57/27/70/518572770.db2.gz	OXTWGAOGCISQRG-MPIVDJSNSA-N	0	0	377.429	4.019	10	30		GIEERN
C=CCn1c(C(=O)NCCc2ccccn2)cc2scc(Br)c21	ZINC000037543770	519165961	/nfs/dbraw/zinc/16/59/61/519165961.db2.gz	RBGKRLIFTVTFAQ-UHFFFAOYSA-N	0	0	390.306	4.019	10	30		GIEERN
COc1cc(Br)cc(C=NN=c2[nH]c3ccccc3s2)c1O	ZINC000096594332	522026584	/nfs/dbraw/zinc/02/65/84/522026584.db2.gz	CXGFQDFTTTWLCO-IUXPMGMMSA-N	0	0	378.251	4.219	10	30		GIEERN
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000103542357	526416167	/nfs/dbraw/zinc/41/61/67/526416167.db2.gz	UUKKQANYOKYKJH-UHFFFAOYSA-N	0	0	396.074	4.195	10	30		GIEERN
O=[N+]([O-])c1ccc(N=NC=C(Br)Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000033374069	527359424	/nfs/dbraw/zinc/35/94/24/527359424.db2.gz	RVLRHGCXCBZYRW-UPOXQYAPSA-N	0	0	391.181	4.337	10	30		GIEERN
FC(F)Oc1ccc(-c2csc(N=NCc3ccc4c(c3)OCO4)n2)cc1	ZINC000027526032	527695587	/nfs/dbraw/zinc/69/55/87/527695587.db2.gz	GPEKSCJQPRFKBA-ODCIPOBUSA-N	0	0	389.383	4.008	10	30		GIEERN
N#Cc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1	ZINC000023319424	570796276	/nfs/dbraw/zinc/79/62/76/570796276.db2.gz	WGEQVBXJAUGZEC-XMMPIXPASA-N	0	0	399.469	4.245	10	30		GIEERN
Cc1ccc(C(=O)N/C(=N/c2ccccc2C)NCc2ccncc2)cc1F	ZINC000045940029	571001260	/nfs/dbraw/zinc/00/12/60/571001260.db2.gz	IISWVVJGVIWZFF-UHFFFAOYSA-N	0	0	376.435	4.045	10	30		GIEERN
C=CCOC(=O)Nc1ccc2c(c1)[nH]c1cc(NC(=O)OCC=C)ccc1c2=O	ZINC000022052155	206252424	/nfs/dbraw/zinc/25/24/24/206252424.db2.gz	HPEVEHIOZFNEGW-UHFFFAOYSA-N	0	0	393.399	4.150	10	30	in-vitro	GIEERN
C=CCOc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(OCC=C)n1	ZINC000005137915	206292670	/nfs/dbraw/zinc/29/26/70/206292670.db2.gz	JWTDUUYINZWIBA-UHFFFAOYSA-N	0	0	375.432	4.488	10	30		GIEERN
N#Cc1cccc(C#N)c1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001024249	206342299	/nfs/dbraw/zinc/34/22/99/206342299.db2.gz	LWOZNANXEKWUGO-UHFFFAOYSA-N	0	0	384.351	4.383	10	30		GIEERN
CCOc1ccc(/N=C2/S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2CC)cc1	ZINC000005897194	208674374	/nfs/dbraw/zinc/67/43/74/208674374.db2.gz	HOLKFDWHQNCIKH-DOGHIQQUSA-N	0	0	396.468	4.438	10	30		GIEERN
C[NH+](C)Cc1cc(Br)cc(C(=O)/C=C/c2ccccc2F)c1[O-]	ZINC000094993379	521887817	/nfs/dbraw/zinc/88/78/17/521887817.db2.gz	NUJWMZKBLFOSBJ-BQYQJAHWSA-N	0	0	378.241	4.252	10	30		GIEERN
COc1ccc(O)c(/C=N/n2c(-c3ccco3)cs/c2=N\c2cccnc2)c1	ZINC000013878654	524724511	/nfs/dbraw/zinc/72/45/11/524724511.db2.gz	MWZIOKXOSPAGBC-JOVIJJHYSA-N	0	0	392.440	4.033	10	30		GIEERN
Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000028629528	525533580	/nfs/dbraw/zinc/53/35/80/525533580.db2.gz	BAOKZHJPPNVFEF-LJQANCHMSA-N	0	0	388.398	4.312	10	30		GIEERN
Cc1ccc(NC(=S)N2CCN=C(Nc3ccc(C)cc3)SCC2)cc1	ZINC000028114085	525968912	/nfs/dbraw/zinc/96/89/12/525968912.db2.gz	PHXYWALLWDOPMK-UHFFFAOYSA-N	0	0	384.574	4.326	10	30		GIEERN
CCCCn1cc(-c2cc(C(=O)N3CCC(C#N)CC3)c3ccccc3n2)cn1	ZINC000019720866	570211267	/nfs/dbraw/zinc/21/12/67/570211267.db2.gz	MJTYXCLOESXVEU-UHFFFAOYSA-N	0	0	387.487	4.274	10	30		GIEERN
CCOc1ccc([C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1	ZINC000035190055	570347920	/nfs/dbraw/zinc/34/79/20/570347920.db2.gz	XEOYUMVCLDBUCV-RJGXRXQPSA-N	0	0	383.451	4.201	10	30		GIEERN
COc1cc(Br)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000005320457	570434129	/nfs/dbraw/zinc/43/41/29/570434129.db2.gz	CSTBXTGHGDTROS-VOTSOKGWSA-N	0	0	392.205	4.271	10	30		GIEERN
COc1ccc(-c2c3c([nH]c4cc(C(=O)c5ccccc5)c(N)c2-4)CCC3)cc1	ZINC000006589242	570485850	/nfs/dbraw/zinc/48/58/50/570485850.db2.gz	POFQMYZWUALUDS-UHFFFAOYSA-N	0	0	382.463	4.355	10	30		GIEERN
COc1ccc(S(=O)(=O)Nc2cc(-c3csc(C#N)c3)ccc2C)cc1	ZINC000068267081	570578705	/nfs/dbraw/zinc/57/87/05/570578705.db2.gz	STJKZARVVAISJM-UHFFFAOYSA-N	0	0	384.482	4.405	10	30		GIEERN
CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cccc(F)c1C#N)CC2	ZINC000275837108	570699396	/nfs/dbraw/zinc/69/93/96/570699396.db2.gz	VRIRRHANOBVGHW-HXUWFJFHSA-N	0	0	383.492	4.166	10	30		GIEERN
O=c1[nH]cccc1[C@@](C#Cc1ccccc1)(OCc1ccccc1)C(F)(F)F	ZINC000026845784	206303233	/nfs/dbraw/zinc/30/32/33/206303233.db2.gz	ZRORZOALIRLCHO-OAQYLSRUSA-N	0	0	383.369	4.401	10	30		GIEERN
O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(Cl)cc2)o1)C31CC1	ZINC000005579747	206620760	/nfs/dbraw/zinc/62/07/60/206620760.db2.gz	NAGHZRPAHWQZSM-BAEVBPSWSA-N	0	0	392.842	4.131	10	30		GIEERN
Cc1c(/N=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000021487108	207229449	/nfs/dbraw/zinc/22/94/49/207229449.db2.gz	ZDBHDXWPCYLXHP-ODYMTFIRSA-N	0	0	386.499	4.498	10	30		GIEERN
CCCC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCC1	ZINC000100537372	208375392	/nfs/dbraw/zinc/37/53/92/208375392.db2.gz	OBBFYFVKKMVSJX-MRCUWXFGSA-N	0	0	384.505	4.026	10	30		GIEERN
C[C@H]1CCCCN1c1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-]	ZINC000226362678	136192755	/nfs/dbraw/zinc/19/27/55/136192755.db2.gz	SKZXPOHEMVYCBV-HNNXBMFYSA-N	0	0	388.427	4.488	10	30		GIEERN
CCOc1cc(/C=N\n2cnnc2)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000033317953	520646179	/nfs/dbraw/zinc/64/61/79/520646179.db2.gz	NRJSFPNTDHUAGC-AQHIEDMUSA-N	0	0	391.258	4.445	10	30		GIEERN
Oc1ccc(Br)cc1CN=Nc1nc2ccccc2nc1Cl	ZINC000032502353	526342188	/nfs/dbraw/zinc/34/21/88/526342188.db2.gz	WOVQDZDLKINUOM-QGMBQPNBSA-N	0	0	377.629	4.197	10	30		GIEERN
O=[N+]([O-])c1ccc(N=NC=C(Br)Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000033374071	527357996	/nfs/dbraw/zinc/35/79/96/527357996.db2.gz	RVLRHGCXCBZYRW-PGHFANGISA-N	0	0	391.181	4.337	10	30		GIEERN
CC(C)(C)OC(=O)n1cc(C#CCO)c2c1cccc2OCc1ccccc1	ZINC000669382239	570376054	/nfs/dbraw/zinc/37/60/54/570376054.db2.gz	JNZBSOKCPXNRMO-UHFFFAOYSA-N	0	0	377.440	4.347	10	30		GIEERN
CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21	ZINC000005481450	570441552	/nfs/dbraw/zinc/44/15/52/570441552.db2.gz	JSFLQQHZJPSIRS-VSKRKVRLSA-N	0	0	397.478	4.430	10	30		GIEERN
O=C(C#Cc1ccccc1)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1	ZINC000012278933	206245956	/nfs/dbraw/zinc/24/59/56/206245956.db2.gz	SOZYKNIGLYUETK-RUZDIDTESA-N	0	0	389.495	4.073	10	30		GIEERN
COc1ccc(/C=N/c2ccc(C)c(I)c2)cc1OC	ZINC000001234424	206369198	/nfs/dbraw/zinc/36/91/98/206369198.db2.gz	NIAIXZBNLWANKW-VCHYOVAHSA-N	0	0	381.213	4.367	10	30		GIEERN
O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(Cl)cc1	ZINC000001884142	206392653	/nfs/dbraw/zinc/39/26/53/206392653.db2.gz	QEDMGEIYPXZGIW-FRKPEAEDSA-N	0	0	393.837	4.164	10	30		GIEERN
C=CCOc1cccc2c1cc(C(=O)N1CCCCC1)n2C[C@H]1CCCCO1	ZINC000035927834	519062003	/nfs/dbraw/zinc/06/20/03/519062003.db2.gz	JMNBCYDOPPCGOC-GOSISDBHSA-N	0	0	382.504	4.401	10	30		GIEERN
C=CCSc1nnc(C)c(/C=C\NOCc2ccc(Cl)cc2Cl)n1	ZINC000003104826	519085958	/nfs/dbraw/zinc/08/59/58/519085958.db2.gz	XDDWOXSBZNMMSV-SREVYHEPSA-N	0	0	383.304	4.457	10	30		GIEERN
CC(O)=C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@@H]1C1CCCCC1	ZINC000038464987	519367699	/nfs/dbraw/zinc/36/76/99/519367699.db2.gz	GXAKUDFZGVEXGU-MRXNPFEDSA-N	0	0	378.266	4.146	10	30		GIEERN
CCN(CC)S(=O)(=O)c1ccc(/N=C\c2ccc(Br)cc2)cc1	ZINC000100191620	520789149	/nfs/dbraw/zinc/78/91/49/520789149.db2.gz	LCDKUIDNRYSDCK-UYRXBGFRSA-N	0	0	395.322	4.230	10	30		GIEERN
C=CCn1c(Cc2ccc(Cl)cc2)nnc1[S@@](=O)Cc1ccc(F)cc1	ZINC000035683071	527325248	/nfs/dbraw/zinc/32/52/48/527325248.db2.gz	IIIHJKMSJFHSST-AREMUKBSSA-N	0	0	389.883	4.155	10	30		GIEERN
N#CCn1c2nc(-c3ccccc3)c3c(c2c(=O)n1-c1ccccc1)CCCC3	ZINC000170622729	570880073	/nfs/dbraw/zinc/88/00/73/570880073.db2.gz	HLWPIDGWMRCFLG-UHFFFAOYSA-N	0	0	380.451	4.257	10	30		GIEERN
Cc1ccc(C(=O)Nc2ccccc2Cl)cc1C#Cc1cnc2ccnn2c1	ZINC000095590724	209124354	/nfs/dbraw/zinc/12/43/54/209124354.db2.gz	BXQRDOOCYOERLZ-UHFFFAOYSA-N	0	0	386.842	4.343	10	30		GIEERN
C=CCOc1ccc(/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1OCC	ZINC000020175911	206252178	/nfs/dbraw/zinc/25/21/78/206252178.db2.gz	DUDFRGNMKXNOQX-LGMDPLHJSA-N	0	0	394.496	4.221	10	30		GIEERN
C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@]21C	ZINC000033911353	518352253	/nfs/dbraw/zinc/35/22/53/518352253.db2.gz	UQWZWQYTKPEDAK-ODTAKUCXSA-N	0	0	380.484	4.403	10	30		GIEERN
COc1cc(OC)c(C(=O)/C=C\c2cc(Br)ccc2O)c(OC)c1	ZINC000034705138	522787645	/nfs/dbraw/zinc/78/76/45/522787645.db2.gz	BHAFIADAKPBPQC-XQRVVYSFSA-N	0	0	393.233	4.077	10	30		GIEERN
C[C@@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1	ZINC000097950212	524840575	/nfs/dbraw/zinc/84/05/75/524840575.db2.gz	ZTCJLCVMODVXFV-LURJTMIESA-N	0	0	382.276	4.107	10	30		GIEERN
Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1	ZINC000100037777	525965460	/nfs/dbraw/zinc/96/54/60/525965460.db2.gz	PCIJAKHEDYFVPI-XQNSMLJCSA-N	0	0	376.481	4.497	10	30		GIEERN
C/C(=N\N=C1\SCC(=O)N1c1ccccc1)c1ccc(Br)cc1	ZINC000033295377	527536985	/nfs/dbraw/zinc/53/69/85/527536985.db2.gz	GFGOLMQZWFFIGQ-PVYFLZRGSA-N	0	0	388.290	4.309	10	30		GIEERN
O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000013301980	527661779	/nfs/dbraw/zinc/66/17/79/527661779.db2.gz	AKPRQYHVDFKJND-NMWGTECJSA-N	0	0	392.802	4.046	10	30		GIEERN
COc1cc(OC)c(/C=N/c2ccc(NC(C)=O)cc2)cc1Br	ZINC000001233781	206369024	/nfs/dbraw/zinc/36/90/24/206369024.db2.gz	RGFRQUZRJFQZKU-VXLYETTFSA-N	0	0	377.238	4.175	10	30		GIEERN
S=C1N=NC(COc2ccccc2)N1N=Cc1ccc(Cl)cc1Cl	ZINC000015987745	207068715	/nfs/dbraw/zinc/06/87/15/207068715.db2.gz	MJJQOTPHTZFWKL-OCKHKDLRSA-N	0	0	379.272	4.335	10	30		GIEERN
C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CO1	ZINC000058568858	518508459	/nfs/dbraw/zinc/50/84/59/518508459.db2.gz	IIPVSGPTPPURBD-HAOIVFDCSA-N	0	0	382.456	4.411	10	30		GIEERN
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2ccc(C)cc2OC)n1	ZINC000012588478	519106770	/nfs/dbraw/zinc/10/67/70/519106770.db2.gz	HPSQIQRCIBVRBA-IAGOWNOFSA-N	0	0	382.460	4.306	10	30		GIEERN
CCOc1ccccc1/C=N\c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000005908450	521449713	/nfs/dbraw/zinc/44/97/13/521449713.db2.gz	LUTVXCLZBMXUBV-JWGURIENSA-N	0	0	386.517	4.257	10	30		GIEERN
CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	ZINC000100037079	522133842	/nfs/dbraw/zinc/13/38/42/522133842.db2.gz	OHJLBNVGMBFQTH-OQKWZONESA-N	0	0	385.533	4.068	10	30		GIEERN
COC(=O)c1sccc1-c1ccc(/C=N/OC(=O)c2cccnc2Cl)o1	ZINC000002555929	522437991	/nfs/dbraw/zinc/43/79/91/522437991.db2.gz	IZYLMKCAOFDXOK-AWQFTUOYSA-N	0	0	390.804	4.034	10	30		GIEERN
COc1ccc(CNC=C2Nc3ccc(Br)c(Cl)c3C2=O)cc1	ZINC000100573482	524017132	/nfs/dbraw/zinc/01/71/32/524017132.db2.gz	DWQHIXQVMDQHSV-ZROIWOOFSA-N	0	0	393.668	4.351	10	30		GIEERN
C=CCc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](C)O2	ZINC000015211359	560229312	/nfs/dbraw/zinc/22/93/12/560229312.db2.gz	BVNKWNRETUIZFZ-XCLFUZPHSA-N	0	0	386.444	4.351	10	30	biogenic,in-vitro	GIEERN
CCCCCCCCCCCC[C@H](C)[N+](C)(C)C[C@@H](O)CS(=O)(=O)[O-]	ZINC000137503656	717151386	/nfs/dbraw/zinc/15/13/86/717151386.db2.gz	WUFUEDSZDGCOQR-RBUKOAKNSA-O	0	0	380.615	4.011	10	30		GIEERN
C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21	ZINC000226362795	136192701	/nfs/dbraw/zinc/19/27/01/136192701.db2.gz	YKRPMOCYWUVDHC-HNNXBMFYSA-N	0	0	388.427	4.488	10	30		GIEERN
C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccccc1	ZINC000016856866	518685335	/nfs/dbraw/zinc/68/53/35/518685335.db2.gz	KCEVPFHWGGTSMX-UHFFFAOYSA-N	0	0	376.500	4.448	10	30		GIEERN
C=CCN(CC=C)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1	ZINC000040355583	518769405	/nfs/dbraw/zinc/76/94/05/518769405.db2.gz	MPSBUFPNBYXLLR-UHFFFAOYSA-N	0	0	395.406	4.228	10	30		GIEERN
CCN(CC)S(=O)(=O)c1ccc(/N=C\c2c(O)ccc3ccccc32)cc1	ZINC000005794733	520789940	/nfs/dbraw/zinc/78/99/40/520789940.db2.gz	BZHFZQCSEDFCBF-JCMHNJIXSA-N	0	0	382.485	4.327	10	30		GIEERN
CCN(CC)c1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	ZINC000033377394	520884239	/nfs/dbraw/zinc/88/42/39/520884239.db2.gz	OWLRQXVAAJXZSI-UCQKPKSFSA-N	0	0	395.894	4.178	10	30		GIEERN
COc1cc(CN=Nc2nc3ccccc3nc2Cl)cc(Cl)c1OC	ZINC000032647133	521995692	/nfs/dbraw/zinc/99/56/92/521995692.db2.gz	QUKMWZCGCHKNAI-AWQFTUOYSA-N	0	0	377.231	4.400	10	30		GIEERN
COC(=O)c1sccc1-c1ccc(/C=N\OC(=O)c2cccnc2Cl)o1	ZINC000033380806	522438025	/nfs/dbraw/zinc/43/80/25/522438025.db2.gz	IZYLMKCAOFDXOK-UKWGHVSLSA-N	0	0	390.804	4.034	10	30		GIEERN
O=S(=O)(c1ccc(/N=C/c2ccc(F)cc2)cc1)N1CCc2ccccc21	ZINC000100042196	527268388	/nfs/dbraw/zinc/26/83/88/527268388.db2.gz	NIYUBEDULFZHLQ-HZHRSRAPSA-N	0	0	380.444	4.328	10	30		GIEERN
C=CCn1c(SCc2cccc(C(=O)N(C)CCC)c2)nnc1-c1ccco1	ZINC000096292098	527343028	/nfs/dbraw/zinc/34/30/28/527343028.db2.gz	SVESKORMSQHSSV-UHFFFAOYSA-N	0	0	396.516	4.498	10	30		GIEERN
C=CCn1c(SCc2ccccc2C(=O)N2CCCC2)nnc1-c1ccco1	ZINC000096289603	527343408	/nfs/dbraw/zinc/34/34/08/527343408.db2.gz	IQURIOZJTRMEMR-UHFFFAOYSA-N	0	0	394.500	4.252	10	30		GIEERN
C=CCN(Cc1cccn1Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000004926955	570370981	/nfs/dbraw/zinc/37/09/81/570370981.db2.gz	BZLJOOIHOMEONN-UHFFFAOYSA-N	0	0	375.428	4.273	10	30		GIEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1	ZINC000015811071	207062198	/nfs/dbraw/zinc/06/21/98/207062198.db2.gz	XJKPJRBYHUQVGE-KRWDZBQOSA-N	0	0	399.494	4.340	10	30		GIEERN
CCC(C)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl	ZINC000005163415	520182874	/nfs/dbraw/zinc/18/28/74/520182874.db2.gz	AVDINEVWZALVEB-WOJGMQOQSA-N	0	0	396.856	4.247	10	30		GIEERN
CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000100040839	520788798	/nfs/dbraw/zinc/78/87/98/520788798.db2.gz	QUOAXUCKNPDWGG-XDHOZWIPSA-N	0	0	395.868	4.029	10	30		GIEERN
COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O	ZINC000033879545	522871579	/nfs/dbraw/zinc/87/15/79/522871579.db2.gz	YANQHKPQYWCPNB-NVMNQCDNSA-N	0	0	384.863	4.016	10	30		GIEERN
Cc1cc(OC[C@H]2CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)ccc1Cl	ZINC000022625332	525373574	/nfs/dbraw/zinc/37/35/74/525373574.db2.gz	DVYBLFQOMLTGRA-OXJNMPFZSA-N	0	0	398.890	4.196	10	30		GIEERN
N#Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1	ZINC000100037790	526585075	/nfs/dbraw/zinc/58/50/75/526585075.db2.gz	PIIBHJRYOXXLBH-LFVJCYFKSA-N	0	0	387.464	4.060	10	30		GIEERN
C=CCC[C@@](C(=O)OC)(N(CC=C)C(=O)OCc1ccccc1)C(F)(F)F	ZINC000043464695	527462096	/nfs/dbraw/zinc/46/20/96/527462096.db2.gz	ULZGGKVGICPFOU-SFHVURJKSA-N	0	0	385.382	4.252	10	30		GIEERN
CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(OC)cc1	ZINC000033294014	528944553	/nfs/dbraw/zinc/94/45/53/528944553.db2.gz	YCBGCDKDXFOLEI-UBIDFSEFSA-N	0	0	396.468	4.106	10	30		GIEERN
Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3)n2)cc1	ZINC000065148097	570710316	/nfs/dbraw/zinc/71/03/16/570710316.db2.gz	VBOGZEVLZGOJLD-HXUWFJFHSA-N	0	0	397.482	4.420	10	30		GIEERN
CCCCCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)[O-]	ZINC000137506788	717151209	/nfs/dbraw/zinc/15/12/09/717151209.db2.gz	WNAYWULQAXJNCW-HXUWFJFHSA-O	0	0	394.642	4.403	10	30		GIEERN
CCn1c2ccccc2c2cc(/C=N/c3ccc(S(N)(=O)=O)cc3)ccc21	ZINC000001234449	206369745	/nfs/dbraw/zinc/36/97/45/206369745.db2.gz	UBJJTZNMLAZUMW-OEAKJJBVSA-N	0	0	377.469	4.212	10	30		GIEERN
O=C1Nc2c(cc(Cl)cc2Cl)/C1=N\N=C\c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003241316	206463235	/nfs/dbraw/zinc/46/32/35/206463235.db2.gz	CRXJJGQTSKIAQC-KPSZGOFPSA-N	0	0	397.605	4.330	10	30		GIEERN
CCOc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)cc1O	ZINC000005907850	206633591	/nfs/dbraw/zinc/63/35/91/206633591.db2.gz	ZJVNICIMMQQOPX-DJKKODMXSA-N	0	0	384.288	4.418	10	30		GIEERN
CC(C)c1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c2c1CCCC2	ZINC000095117597	208154017	/nfs/dbraw/zinc/15/40/17/208154017.db2.gz	CPNAOAPDXFDHAO-UHFFFAOYSA-N	0	0	382.485	4.342	10	30		GIEERN
CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21	ZINC000003174660	136193612	/nfs/dbraw/zinc/19/36/12/136193612.db2.gz	NUYDTCZOMUMFOE-BWAHOGKJSA-N	0	0	391.393	4.447	10	30		GIEERN
CC(C)(C)OC(=O)N1CCC(COc2ccc(Br)cc2C#N)CC1	ZINC000095803943	222361470	/nfs/dbraw/zinc/36/14/70/222361470.db2.gz	XTYQHIVJLVNWCM-UHFFFAOYSA-N	0	0	395.297	4.347	10	30		GIEERN
C/C(=N/OCC(=O)OCc1cccc2ccccc21)c1ccc2c(c1)OCO2	ZINC000097998276	518455079	/nfs/dbraw/zinc/45/50/79/518455079.db2.gz	UEZBZKVLNDCVBA-HAHDFKILSA-N	0	0	377.396	4.053	10	30		GIEERN
Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1	ZINC000028629525	525533971	/nfs/dbraw/zinc/53/39/71/525533971.db2.gz	VQBKNFJOAVJQLI-QGZVFWFLSA-N	0	0	376.437	4.234	10	30		GIEERN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1	ZINC000102483959	525941378	/nfs/dbraw/zinc/94/13/78/525941378.db2.gz	XTRHMDDEVNOSMJ-LYHOESIGSA-N	0	0	379.437	4.271	10	30		GIEERN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1	ZINC000102483952	525942473	/nfs/dbraw/zinc/94/24/73/525942473.db2.gz	XTRHMDDEVNOSMJ-VZCCSQPZSA-N	0	0	379.437	4.271	10	30		GIEERN
C=CCN(Cc1cccn1Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000096274238	526366439	/nfs/dbraw/zinc/36/64/39/526366439.db2.gz	PBNZGWGVOVAOTK-UHFFFAOYSA-N	0	0	393.418	4.412	10	30		GIEERN
O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000013301999	527661614	/nfs/dbraw/zinc/66/16/14/527661614.db2.gz	YMWIEDKUWSYHIF-NMWGTECJSA-N	0	0	392.802	4.046	10	30		GIEERN
C=CCc1cccc(C=NNc2nnc(SCc3ccc(F)cc3)[nH]2)c1O	ZINC000005899358	570460986	/nfs/dbraw/zinc/46/09/86/570460986.db2.gz	IUYJVLVRJYUWOR-SRZZPIQSSA-N	0	0	383.452	4.116	10	30		GIEERN
Cc1c(C#N)c2nc3ccccc3n2c(-n2cnc3ccccc32)c1CCC#N	ZINC000006728449	570555009	/nfs/dbraw/zinc/55/50/09/570555009.db2.gz	SVHUOZPXSCVKDB-UHFFFAOYSA-N	0	0	376.423	4.463	10	30		GIEERN
C=C(C)[C@H]1Cc2c(ccc3c2oc2c(c3=O)-c3cc(OC)c(OC)cc3OC2)O1	ZINC000003197519	209188770	/nfs/dbraw/zinc/18/87/70/209188770.db2.gz	GFERNZCCTZEIET-MRXNPFEDSA-N	0	0	392.407	4.249	10	30	in-vitro	GIEERN
C=CCc1ccccc1OCCOc1ccccc1/C=C1/SC(=N)NC1=O	ZINC000006192781	212068701	/nfs/dbraw/zinc/06/87/01/212068701.db2.gz	HNONBEOAFDXOTO-XMHGGMMESA-N	0	0	380.469	4.012	10	30		GIEERN
COc1ccc(/C=C\C(=O)c2cnn(C)c2C)cc1CSc1ccccn1	ZINC000035679553	518142248	/nfs/dbraw/zinc/14/22/48/518142248.db2.gz	JICLOXHYLHSSDS-CLFYSBASSA-N	0	0	379.485	4.321	10	30		GIEERN
C#CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1	ZINC000033349598	518319776	/nfs/dbraw/zinc/31/97/76/518319776.db2.gz	OSIGCWPDADVNTL-MPIQAULUSA-N	0	0	392.480	4.331	10	30		GIEERN
C#C[C@]1(O)[C@H](O)C[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C	ZINC000035565233	518358409	/nfs/dbraw/zinc/35/84/09/518358409.db2.gz	CHZJRGNDJLJLAW-HIOJCNTLSA-N	0	0	380.528	4.199	10	30		GIEERN
CCN(CC)S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000100040842	520790018	/nfs/dbraw/zinc/79/00/18/520790018.db2.gz	SGDXAFMIKPSXJW-XDHOZWIPSA-N	0	0	395.868	4.029	10	30		GIEERN
CCOc1cccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(C)C2=O)c1O	ZINC000059398488	521315394	/nfs/dbraw/zinc/31/53/94/521315394.db2.gz	VHOGRTWWISCZPS-UCEMORSKSA-N	0	0	384.457	4.033	10	30		GIEERN
Cc1ccc(CN2CCN(/C=C\C(=O)c3ccc(OC(F)F)cc3)CC2)cc1	ZINC000033580300	524451764	/nfs/dbraw/zinc/45/17/64/524451764.db2.gz	WHMFKZHKSPFCSN-KHPPLWFESA-N	0	0	386.442	4.111	10	30		GIEERN
Cc1ccc(S(=O)(=O)N/N=C2\CCCC[C@H]2C2CCCCC2)cc1[N+](=O)[O-]	ZINC000013144770	525517042	/nfs/dbraw/zinc/51/70/42/525517042.db2.gz	OORHLORIUYXOBG-DMEQXSTQSA-N	0	0	393.509	4.308	10	30		GIEERN
N#Cc1cc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)ccc1F	ZINC000057343719	526573884	/nfs/dbraw/zinc/57/38/84/526573884.db2.gz	BDRMFDNRFRFEAL-UHFFFAOYSA-N	0	0	393.853	4.443	10	30		GIEERN
Clc1cc(C=NNc2ccc(I)cc2)cc(Cl)n1	ZINC000033376842	526924316	/nfs/dbraw/zinc/92/43/16/526924316.db2.gz	NDNJGQBKWONSAA-FRKPEAEDSA-N	0	0	392.027	4.439	10	30		GIEERN
O=[N+]([O-])c1ccc(N=NC=C(Br)Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000033374070	527359954	/nfs/dbraw/zinc/35/99/54/527359954.db2.gz	RVLRHGCXCBZYRW-FCNDHSEPSA-N	0	0	391.181	4.337	10	30		GIEERN
CCOc1ccc([C@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1	ZINC000035190057	570347782	/nfs/dbraw/zinc/34/77/82/570347782.db2.gz	XEOYUMVCLDBUCV-YTFSRNRJSA-N	0	0	383.451	4.201	10	30		GIEERN
C=CCN(Cc1cccn1Cc1ccccc1)C(=O)c1cc(OC)cc(OC)c1	ZINC000035729237	570425786	/nfs/dbraw/zinc/42/57/86/570425786.db2.gz	WDXZIRZSGVOCIB-UHFFFAOYSA-N	0	0	390.483	4.382	10	30		GIEERN
COc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1OC	ZINC000003197385	209415806	/nfs/dbraw/zinc/41/58/06/209415806.db2.gz	ORLONGCAALHLRI-KEBDBYFISA-N	0	0	388.880	4.015	10	30		GIEERN
CO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2O[C@H]21	ZINC000105164350	209244472	/nfs/dbraw/zinc/24/44/72/209244472.db2.gz	IPTGADYNRWJWSJ-MOUTVQLLSA-N	0	0	388.463	4.134	10	30		GIEERN
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCCc3cn[nH]c32)cc1	ZINC000089775082	211183656	/nfs/dbraw/zinc/18/36/56/211183656.db2.gz	WHTPOMXJXQICHM-NRFANRHFSA-N	0	0	388.446	4.069	10	30		GIEERN
C=CCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1CCCCC1	ZINC000022322138	518733771	/nfs/dbraw/zinc/73/37/71/518733771.db2.gz	OFOTZPDUVNHFAO-KRWDZBQOSA-N	0	0	378.925	4.490	10	30		GIEERN
CC(O)=C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@H]1C1CCCCC1	ZINC000038464988	519368664	/nfs/dbraw/zinc/36/86/64/519368664.db2.gz	GXAKUDFZGVEXGU-INIZCTEOSA-N	0	0	378.266	4.146	10	30		GIEERN
CC(=O)O/N=C/c1ccc(-c2ccc(Br)cc2Br)o1	ZINC000085346732	519754184	/nfs/dbraw/zinc/75/41/84/519754184.db2.gz	FRPYWISZNYFBEM-FRKPEAEDSA-N	0	0	387.027	4.369	10	30		GIEERN
CCCCCCCC(=O)c1cc(OC)c(OC)c(OC)c1CC(=O)OCC	ZINC000098209456	519966310	/nfs/dbraw/zinc/96/63/10/519966310.db2.gz	WCYMJQXRLIDSAQ-UHFFFAOYSA-N	0	0	380.481	4.361	10	30	in-vitro	GIEERN
CCN(CC)S(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1	ZINC000100040804	520788620	/nfs/dbraw/zinc/78/86/20/520788620.db2.gz	BZHFZQCSEDFCBF-PXLXIMEGSA-N	0	0	382.485	4.327	10	30		GIEERN
CCOC(=O)[C@H]1S[C@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@@]1(O)c1ccccc1	ZINC000013466000	521318164	/nfs/dbraw/zinc/31/81/64/521318164.db2.gz	IFJQETUKALJECG-MLYOOKFZSA-N	0	0	387.888	4.087	10	30		GIEERN
CCOc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1	ZINC000100040173	521447309	/nfs/dbraw/zinc/44/73/09/521447309.db2.gz	LUTVXCLZBMXUBV-CJLVFECKSA-N	0	0	386.517	4.257	10	30		GIEERN
Cc1cccc(C(=O)O/N=C2/c3ccccc3N(C(=O)c3cccc(C)c3)C2=O)c1	ZINC000059372094	524224154	/nfs/dbraw/zinc/22/41/54/524224154.db2.gz	UGRVVUPDVUQWGF-DAFNUICNSA-N	0	0	398.418	4.052	10	30		GIEERN
FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1COc1ccccc1	ZINC000015987988	210181593	/nfs/dbraw/zinc/18/15/93/210181593.db2.gz	RAOVEZYMQCZBST-FBHDLOMBSA-N	0	0	378.379	4.047	10	30		GIEERN
COCC/N=c1\scc(-c2ccccc2)n1/N=C/c1c[nH]c2ccccc12	ZINC000013865520	210095368	/nfs/dbraw/zinc/09/53/68/210095368.db2.gz	NEKOCUWVSUDUES-MMSVJXFPSA-N	0	0	376.485	4.127	10	30		GIEERN
CSc1nc(Cl)c(/C=N/OC(=O)c2ccc(Cl)cc2)c(Cl)n1	ZINC000002570667	209370166	/nfs/dbraw/zinc/37/01/66/209370166.db2.gz	OIAGLSBKYPAWKX-UBKPWBPPSA-N	0	0	376.652	4.350	10	30		GIEERN
CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCOC)C2=O)cc1	ZINC000002142111	209347275	/nfs/dbraw/zinc/34/72/75/209347275.db2.gz	IZBFZMYIZDNAEZ-KQAARNMGSA-N	0	0	382.485	4.336	10	30		GIEERN
O=c1[nH]cccc1[C@](C#Cc1ccccc1)(OCc1ccccc1)C(F)(F)F	ZINC000005974554	209233555	/nfs/dbraw/zinc/23/35/55/209233555.db2.gz	ZRORZOALIRLCHO-NRFANRHFSA-N	0	0	383.369	4.401	10	30		GIEERN
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#Cc1cnc2ccnn2c1	ZINC000095587884	212069162	/nfs/dbraw/zinc/06/91/62/212069162.db2.gz	JGRXVSSCBUCMIT-UHFFFAOYSA-N	0	0	386.842	4.343	10	30		GIEERN
Cc1c(C(=O)NC2CCCC2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2	ZINC000040814658	210794828	/nfs/dbraw/zinc/79/48/28/210794828.db2.gz	SVRYFKMGZXTJGS-JJIBRWJFSA-N	0	0	396.447	4.321	10	30		GIEERN
C=CCN1C(=O)/C(=C\c2ccc(COc3ccc(C#N)cc3)o2)SC1=S	ZINC000096438164	518832067	/nfs/dbraw/zinc/83/20/67/518832067.db2.gz	AIXXCOOBAZHBJS-LICLKQGHSA-N	0	0	382.466	4.117	10	30		GIEERN
CC#CCN(Cc1ccco1)Cc1nc(-c2ccc(OC)c(OC)c2)oc1C	ZINC000019792635	519337526	/nfs/dbraw/zinc/33/75/26/519337526.db2.gz	PSXSAFJYZXBWDV-UHFFFAOYSA-N	0	0	380.444	4.286	10	30		GIEERN
CC(=O)Nc1cccc(C(C)N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000013129891	519735734	/nfs/dbraw/zinc/73/57/34/519735734.db2.gz	REFQPMPVPFQXCY-LSHDLFTRSA-N	0	0	380.326	4.408	10	30		GIEERN
C[C@H]1CN(CN2c3ccccc3/C(=N\c3ccc4ccccc4c3)C2=O)C[C@H](C)O1	ZINC000102879529	524605281	/nfs/dbraw/zinc/60/52/81/524605281.db2.gz	HQIRBLVXPSNJDK-BPDRSYHCSA-N	0	0	399.494	4.374	10	30		GIEERN
C[C@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1	ZINC000097950213	524612623	/nfs/dbraw/zinc/61/26/23/524612623.db2.gz	ZTCJLCVMODVXFV-ZCFIWIBFSA-N	0	0	382.276	4.107	10	30		GIEERN
Cc1ccccc1CN1CCN(/C=C\C(=O)c2cccc(OC(F)F)c2)CC1	ZINC000033580320	525144056	/nfs/dbraw/zinc/14/40/56/525144056.db2.gz	LQKCWXNGLPIMMS-KTKRTIGZSA-N	0	0	386.442	4.111	10	30		GIEERN
C=CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000226257065	570935163	/nfs/dbraw/zinc/93/51/63/570935163.db2.gz	LFPYYRHWDKKOCJ-VMPITWQZSA-N	0	0	378.178	4.360	10	30		GIEERN
Cc1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C#N)c(C)c1C	ZINC000002459165	209364799	/nfs/dbraw/zinc/36/47/99/209364799.db2.gz	XGKHHBKQZYLXEW-UHFFFAOYSA-N	0	0	381.417	4.129	10	30		GIEERN
N#Cc1ccccc1-c1ccc(CN2CCc3nc[nH]c3[C@@H]2c2ccncc2)o1	ZINC000071765454	211060643	/nfs/dbraw/zinc/06/06/43/211060643.db2.gz	FJHMDGVCHJPNJO-QHCPKHFHSA-N	0	0	381.439	4.084	10	30		GIEERN
CCCCN(/C(=N/N)SCc1ccc(C#N)cc1)C1=Nc2ccccc2C1=O	ZINC000008325092	520337445	/nfs/dbraw/zinc/33/74/45/520337445.db2.gz	LCBYMVKNWASQMK-DAFNUICNSA-N	0	0	391.500	4.050	10	30		GIEERN
COc1ccc2ccccc2c1C=NN1C(=S)N=NC1COc1ccccc1	ZINC000001261188	525650269	/nfs/dbraw/zinc/65/02/69/525650269.db2.gz	OFOLOXCIXPENDP-XKZIYDEJSA-N	0	0	390.468	4.190	10	30		GIEERN
C=CCc1cc(OC)c(O[C@H](C)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000049601738	560083718	/nfs/dbraw/zinc/08/37/18/560083718.db2.gz	YRXTUYZHIHAYPF-SZNDQCEHSA-N	0	0	388.460	4.302	10	30		GIEERN
C=CCCC(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@H]1CCCO1	ZINC000012245438	570277421	/nfs/dbraw/zinc/27/74/21/570277421.db2.gz	YBOWIGYBJICKFG-HXUWFJFHSA-N	0	0	381.520	4.083	10	30		GIEERN
CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(-n2cnnn2)c1	ZINC000005494707	209599534	/nfs/dbraw/zinc/59/95/34/209599534.db2.gz	YFBFZVDBAJRXOD-AWQFTUOYSA-N	0	0	381.654	4.459	10	30		GIEERN
C=C(C)[C@@H]1Cc2c(ccc3c2oc2c(c3=O)-c3cc(OC)c(OC)cc3OC2)O1	ZINC000001733352	209189015	/nfs/dbraw/zinc/18/90/15/209189015.db2.gz	GFERNZCCTZEIET-INIZCTEOSA-N	0	0	392.407	4.249	10	30	biogenic,in-vitro	GIEERN
C=C(C)CN(CC)C(=O)c1sc2ncnc(NCc3cccc(C)n3)c2c1C	ZINC000012243237	209164876	/nfs/dbraw/zinc/16/48/76/209164876.db2.gz	XPLMLYWVRBCIOW-UHFFFAOYSA-N	0	0	395.532	4.353	10	30		GIEERN
N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCCc3cn[nH]c32)cc1	ZINC000089775080	211183767	/nfs/dbraw/zinc/18/37/67/211183767.db2.gz	WHTPOMXJXQICHM-OAQYLSRUSA-N	0	0	388.446	4.069	10	30		GIEERN
Cc1c(C(=O)N2CCCCC2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2	ZINC000040814729	210795438	/nfs/dbraw/zinc/79/54/38/210795438.db2.gz	COSVFXQUSOJWDB-HAVVHWLPSA-N	0	0	396.447	4.275	10	30		GIEERN
CC(N=Nc1ccccn1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1	ZINC000033614177	518452462	/nfs/dbraw/zinc/45/24/62/518452462.db2.gz	RXANKLKQLZHCQK-KQWNVCNZSA-N	0	0	392.415	4.284	10	30		GIEERN
C=CCN(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)c1cccs1	ZINC000005074602	518745532	/nfs/dbraw/zinc/74/55/32/518745532.db2.gz	TYQHXYDMFOPJEB-UHFFFAOYSA-N	0	0	394.496	4.198	10	30		GIEERN
COc1ccc(/C=N/CCCC/N=C/c2ccc(OC)c(OC)c2)cc1OC	ZINC000018063237	523437632	/nfs/dbraw/zinc/43/76/32/523437632.db2.gz	CHCYTHMZDWZWQV-DFEHQXHXSA-N	0	0	384.476	4.039	10	30		GIEERN
Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3)n2)cc1	ZINC000065148099	570710355	/nfs/dbraw/zinc/71/03/55/570710355.db2.gz	VBOGZEVLZGOJLD-FQEVSTJZSA-N	0	0	397.482	4.420	10	30		GIEERN
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)SC1=S	ZINC000028710834	209179624	/nfs/dbraw/zinc/17/96/24/209179624.db2.gz	QCDZQGHIZHXRQN-SXGWCWSVSA-N	0	0	383.450	4.004	10	30		GIEERN
C=CCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1	ZINC000001730691	209168680	/nfs/dbraw/zinc/16/86/80/209168680.db2.gz	GOZRVUXHKQNGTD-UHFFFAOYSA-N	0	0	398.411	4.059	10	30		GIEERN
N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(Br)o2)C1=O	ZINC000034106601	210656954	/nfs/dbraw/zinc/65/69/54/210656954.db2.gz	WPOGYKGNUZKIKY-QPEQYQDCSA-N	0	0	389.230	4.150	10	30		GIEERN
C=CCN(Cc1nccn1Cc1ccc(F)c(F)c1)C(=O)c1ccc(F)cc1	ZINC000006723928	518801631	/nfs/dbraw/zinc/80/16/31/518801631.db2.gz	CMHZHAIFJJWMAX-UHFFFAOYSA-N	0	0	385.389	4.177	10	30		GIEERN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccccc1	ZINC000005541552	518845945	/nfs/dbraw/zinc/84/59/45/518845945.db2.gz	JZWGURUFFHBCEJ-MLSMKVKPSA-N	0	0	379.485	4.141	10	30		GIEERN
CC[C@H](CSC(F)(F)F)NC(=O)c1cncc(C(F)(F)C(F)(F)F)c1	ZINC000097950217	522267606	/nfs/dbraw/zinc/26/76/06/522267606.db2.gz	KJKRNEOSUNTBHY-SECBINFHSA-N	0	0	396.303	4.497	10	30		GIEERN
COc1ccc(C(=O)ON(OCc2ccccc2)C(=O)c2ccccc2)cc1	ZINC000033639593	523773011	/nfs/dbraw/zinc/77/30/11/523773011.db2.gz	NWSMMTBDQVBUEX-UHFFFAOYSA-N	0	0	377.396	4.041	10	30		GIEERN
Cc1ccc(S(=O)(=O)Oc2cc(CC#N)ccc2OCc2ccccc2)cc1	ZINC000022067050	525626056	/nfs/dbraw/zinc/62/60/56/525626056.db2.gz	WFOPMHYXJZPWIE-UHFFFAOYSA-N	0	0	393.464	4.408	10	30	in-vitro	GIEERN
S=C(NCc1ccccc1)N/N=C\c1cccc(OCc2ccccc2)c1	ZINC000033317905	526383783	/nfs/dbraw/zinc/38/37/83/526383783.db2.gz	QMRILPKTKJOGRE-JLPGSUDCSA-N	0	0	375.497	4.264	10	30		GIEERN
C=CCc1cc(OC)c(O[C@@H](C)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000049601737	527245517	/nfs/dbraw/zinc/24/55/17/527245517.db2.gz	YRXTUYZHIHAYPF-QKKBWIMNSA-N	0	0	388.460	4.302	10	30		GIEERN
C=CCc1cc(OC)c(O[C@H](C)[C@@H](OC)c2ccc(O)c(OC)c2)c(OC)c1	ZINC000049601742	560083700	/nfs/dbraw/zinc/08/37/00/560083700.db2.gz	YRXTUYZHIHAYPF-SPLOXXLWSA-N	0	0	388.460	4.302	10	30		GIEERN
COc1cccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2cccnc2)c1	ZINC000046127303	570210210	/nfs/dbraw/zinc/21/02/10/570210210.db2.gz	HZXFPAMVYLLRFM-UHFFFAOYSA-N	0	0	388.471	4.105	10	30		GIEERN
CCOC(=O)[C@H]1S[C@@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@]1(O)c1ccccc1	ZINC000004344663	570369922	/nfs/dbraw/zinc/36/99/22/570369922.db2.gz	IFJQETUKALJECG-AJYBTWMASA-N	0	0	387.888	4.087	10	30		GIEERN
COc1ccc(/C=C\C(=O)c2cnn(C)c2C)cc1Cn1nc(C)c(Cl)c1C	ZINC000035679505	230922971	/nfs/dbraw/zinc/92/29/71/230922971.db2.gz	KIFUPCNYDSOUSK-VURMDHGXSA-N	0	0	398.894	4.148	10	30		GIEERN
FC(F)(F)c1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1	ZINC000015987732	210181576	/nfs/dbraw/zinc/18/15/76/210181576.db2.gz	NTPYMWXWDWRUCC-FBHDLOMBSA-N	0	0	378.379	4.047	10	30		GIEERN
COc1ccc(Cl)cc1-c1csc(N=NCc2ccc([N+](=O)[O-])cc2)n1	ZINC000005258345	533830511	/nfs/dbraw/zinc/83/05/11/533830511.db2.gz	WREVOBAPMWJFMR-DJKKODMXSA-N	0	0	388.836	4.248	10	30		GIEERN
C=CCN1c2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2SCC1=O	ZINC000003040930	518874299	/nfs/dbraw/zinc/87/42/99/518874299.db2.gz	PISHYQAWDZKAOE-INIZCTEOSA-N	0	0	380.513	4.062	10	30		GIEERN
C=CCOc1cccn2c1nc(C)c(-c1cc(C)n(-c3ccccc3C)n1)c2=O	ZINC000035911353	519074624	/nfs/dbraw/zinc/07/46/24/519074624.db2.gz	XQVRHCGIWXDQRZ-UHFFFAOYSA-N	0	0	386.455	4.037	10	30		GIEERN
COc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	ZINC000100042326	525775015	/nfs/dbraw/zinc/77/50/15/525775015.db2.gz	KAHNKQPEOUAHAG-XQNSMLJCSA-N	0	0	392.480	4.197	10	30		GIEERN
Clc1cc(C=NNc2ccc(I)cc2)cc(Cl)n1	ZINC000033376841	526924091	/nfs/dbraw/zinc/92/40/91/526924091.db2.gz	NDNJGQBKWONSAA-APSNUPSMSA-N	0	0	392.027	4.439	10	30		GIEERN
N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)n2)cc1	ZINC000007778656	209744752	/nfs/dbraw/zinc/74/47/52/209744752.db2.gz	OTUATAIVSHWGII-UHFFFAOYSA-N	0	0	397.843	4.359	10	30		GIEERN
C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1cccc(O)c1	ZINC000001472452	209331236	/nfs/dbraw/zinc/33/12/36/209331236.db2.gz	VEHACSGALQDVON-FOLIBTTPSA-N	0	0	396.468	4.199	10	30		GIEERN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1	ZINC000001465787	209329203	/nfs/dbraw/zinc/32/92/03/209329203.db2.gz	XYWXLRYPDGUPNM-NSHDSACASA-N	0	0	396.541	4.359	10	30		GIEERN
C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccccc2OC)cc1	ZINC000003658070	210379576	/nfs/dbraw/zinc/37/95/76/210379576.db2.gz	JBWCGBBNEBKBRM-UHFFFAOYSA-N	0	0	382.485	4.285	10	30		GIEERN
Cc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1	ZINC000005745243	220896977	/nfs/dbraw/zinc/89/69/77/220896977.db2.gz	PCIJAKHEDYFVPI-KQWNVCNZSA-N	0	0	376.481	4.497	10	30		GIEERN
CCOc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1	ZINC000005906783	520856553	/nfs/dbraw/zinc/85/65/53/520856553.db2.gz	CPFOFJKIHNDXSE-JWGURIENSA-N	0	0	386.517	4.257	10	30		GIEERN
COCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1	ZINC000101695297	523787353	/nfs/dbraw/zinc/78/73/53/523787353.db2.gz	ZSVSAXZGJHENKB-TZIVZOBOSA-N	0	0	377.469	4.418	10	30		GIEERN
O=c1c(Cl)c(NN=Cc2c(O)ccc3ccccc32)cnn1-c1ccccc1	ZINC000097400359	527451095	/nfs/dbraw/zinc/45/10/95/527451095.db2.gz	VZDTXOBVDMOZES-FMCGGJTJSA-N	0	0	390.830	4.191	10	30		GIEERN
CS(=O)(=O)OCCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000002509762	560187146	/nfs/dbraw/zinc/18/71/46/560187146.db2.gz	DMDKUUBCBOPAQB-UHFFFAOYSA-N	0	0	375.273	4.091	10	30	in-vitro	GIEERN
CCOC(=O)[C@@H]1S[C@@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@]1(O)c1ccccc1	ZINC000004344664	570370028	/nfs/dbraw/zinc/37/00/28/570370028.db2.gz	IFJQETUKALJECG-DOADOZAASA-N	0	0	387.888	4.087	10	30		GIEERN
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1	ZINC000226361945	222707286	/nfs/dbraw/zinc/70/72/86/222707286.db2.gz	JQKPCPSPWHXJNN-UHFFFAOYSA-N	0	0	387.351	4.378	10	30		GIEERN
CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OCC)cc2)c(C#N)c1C	ZINC000001965063	212259734	/nfs/dbraw/zinc/25/97/34/212259734.db2.gz	SIAGBLVJXSSXLU-DHZHZOJOSA-N	0	0	384.457	4.156	10	30		GIEERN
CC[C@@](C)(O)C#Cc1nc2c(ncn2C(C)C)c(NCc2ccc(Cl)cc2)n1	ZINC000013806692	212149390	/nfs/dbraw/zinc/14/93/90/212149390.db2.gz	IGQSMAAWNDBZSW-OAQYLSRUSA-N	0	0	397.910	4.185	10	30		GIEERN
CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2OCC)c(C#N)c1C	ZINC000001986482	212143999	/nfs/dbraw/zinc/14/39/99/212143999.db2.gz	IJNSCHINSGVUAE-ZHACJKMWSA-N	0	0	384.457	4.156	10	30		GIEERN
CC1CCN(c2ccc(C(=O)n3cc(C#N)c4ccccc43)cc2[N+](=O)[O-])CC1	ZINC000226362664	136192696	/nfs/dbraw/zinc/19/26/96/136192696.db2.gz	SHYVQFSPVZOSEA-UHFFFAOYSA-N	0	0	388.427	4.346	10	30		GIEERN
CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000095088108	222331018	/nfs/dbraw/zinc/33/10/18/222331018.db2.gz	BJFASDMOMZUFGY-IBGZPJMESA-N	0	0	385.508	4.085	10	30		GIEERN
C/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1C	ZINC000034138314	518570917	/nfs/dbraw/zinc/57/09/17/518570917.db2.gz	RKTUNLJJVFZVQB-XUVFPMAOSA-N	0	0	377.809	4.040	10	30		GIEERN
C=C(C)C(=O)Oc1ccc(Br)c(Br)c1Br	ZINC000033506970	518587374	/nfs/dbraw/zinc/58/73/74/518587374.db2.gz	ZSVFYHKZQNDJEV-UHFFFAOYSA-N	0	0	398.876	4.456	10	30		GIEERN
CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1	ZINC000100040169	520854432	/nfs/dbraw/zinc/85/44/32/520854432.db2.gz	CPFOFJKIHNDXSE-CJLVFECKSA-N	0	0	386.517	4.257	10	30		GIEERN
CCOc1ccccc1/C=C1/S/C(=N/c2ccc(C(=O)OC)cc2)N(C)C1=O	ZINC000102644197	521447826	/nfs/dbraw/zinc/44/78/26/521447826.db2.gz	CAMDNARPPKQESK-UBIDFSEFSA-N	0	0	396.468	4.106	10	30		GIEERN
COc1cccc(/C=N\c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1	ZINC000005918546	525777294	/nfs/dbraw/zinc/77/72/94/525777294.db2.gz	KAHNKQPEOUAHAG-KQWNVCNZSA-N	0	0	392.480	4.197	10	30		GIEERN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1	ZINC000001465788	212248217	/nfs/dbraw/zinc/24/82/17/212248217.db2.gz	XYWXLRYPDGUPNM-LLVKDONJSA-N	0	0	396.541	4.359	10	30		GIEERN
C#CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	ZINC000226328900	518295496	/nfs/dbraw/zinc/29/54/96/518295496.db2.gz	IYTAZHFUZWLQEZ-UHFFFAOYSA-N	0	0	389.245	4.217	10	30		GIEERN
C#C[C@]1(O)[C@H](O)C[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@]21C	ZINC000035565232	518358885	/nfs/dbraw/zinc/35/88/85/518358885.db2.gz	CHZJRGNDJLJLAW-OBRABORZSA-N	0	0	380.528	4.199	10	30		GIEERN
C#C[C@]1(O)[C@H](O)C[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@@H]3CC[C@]21C	ZINC000035565234	518359156	/nfs/dbraw/zinc/35/91/56/518359156.db2.gz	CHZJRGNDJLJLAW-XHCYPQPNSA-N	0	0	380.528	4.199	10	30		GIEERN
C=CCCC(=O)N1CCOc2c(cc(-c3c(OC)cccc3OC)cc2OC)C1	ZINC000014888238	518695110	/nfs/dbraw/zinc/69/51/10/518695110.db2.gz	PEQBMLKKCHLSDV-UHFFFAOYSA-N	0	0	397.471	4.067	10	30		GIEERN
C=CCN(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)CC(C)C	ZINC000035797291	518745580	/nfs/dbraw/zinc/74/55/80/518745580.db2.gz	GDERLSSXPCEOKZ-UHFFFAOYSA-N	0	0	384.545	4.338	10	30		GIEERN
C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1	ZINC000027984034	519147058	/nfs/dbraw/zinc/14/70/58/519147058.db2.gz	PNPWLACRSLVBNI-UHFFFAOYSA-N	0	0	391.423	4.246	10	30		GIEERN
CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1	ZINC000033776342	520860669	/nfs/dbraw/zinc/86/06/69/520860669.db2.gz	WOVYAJYUYPSTOG-BOPFTXTBSA-N	0	0	383.429	4.194	10	30		GIEERN
CCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(Cl)cc2Cl)cc1	ZINC000038377213	521191691	/nfs/dbraw/zinc/19/16/91/521191691.db2.gz	VZWMUXQXMCJBHG-ODLFYWEKSA-N	0	0	387.288	4.095	10	30		GIEERN
COC(=O)c1ccc(/N=C2/S/C(=C/c3ccc(OC)c(C)c3)C(=O)N2C)cc1	ZINC000103696818	521939933	/nfs/dbraw/zinc/93/99/33/521939933.db2.gz	CUEIJLJOKHQWEI-QLHXNQQISA-N	0	0	396.468	4.024	10	30		GIEERN
CN(C)/C=C(\C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000033599800	523968108	/nfs/dbraw/zinc/96/81/08/523968108.db2.gz	HXLCZXHWLXUEBY-LFIBNONCSA-N	0	0	384.284	4.053	10	30		GIEERN
N#CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000103591927	526463374	/nfs/dbraw/zinc/46/33/74/526463374.db2.gz	QTVPRWQNGFABHS-UHFFFAOYSA-N	0	0	385.148	4.358	10	30		GIEERN
FC(F)(F)c1cnc(I)cc1C(F)(F)C(F)(F)F	ZINC000097949904	527688751	/nfs/dbraw/zinc/68/87/51/527688751.db2.gz	HSLHAJZFQKUBLQ-UHFFFAOYSA-N	0	0	390.999	4.359	10	30		GIEERN
O=[N+]([O-])c1ccc(/C=N/c2c(-c3ccc([N+](=O)[O-])cc3)nc3n2CCS3)cc1	ZINC000006813548	570494875	/nfs/dbraw/zinc/49/48/75/570494875.db2.gz	VNEHWBXBTLJLGA-YBFXNURJSA-N	0	0	395.400	4.223	10	30		GIEERN
COc1ccc(C(C)=O)cc1CO/N=C/c1ccc(OC(F)F)c(OC)c1	ZINC000003319800	230829806	/nfs/dbraw/zinc/82/98/06/230829806.db2.gz	MTDSLIDLFZVXID-LSHDLFTRSA-N	0	0	379.359	4.059	10	30		GIEERN
COc1ccc(/C=C2/S/C(=N/N=C3/C[C@@H]4CC[C@@]3(C)C4(C)C)NC2=O)cc1	ZINC000015974471	221354050	/nfs/dbraw/zinc/35/40/50/221354050.db2.gz	HFZAWWOBQBBLGO-WMGSGLCCSA-N	0	0	383.517	4.457	10	30		GIEERN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/c1ccccc1	ZINC000005541549	518842406	/nfs/dbraw/zinc/84/24/06/518842406.db2.gz	JZWGURUFFHBCEJ-QCLNCQLRSA-N	0	0	379.485	4.141	10	30		GIEERN
C=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2C[C@@H]1CCCCO1	ZINC000035927825	519063827	/nfs/dbraw/zinc/06/38/27/519063827.db2.gz	BKBIYKFQVGKCOF-SFHVURJKSA-N	0	0	394.471	4.298	10	30		GIEERN
CC(C)COC(=NC(=O)c1ccccc1Cl)NCc1ccc2c(c1)OCO2	ZINC000005096768	519750091	/nfs/dbraw/zinc/75/00/91/519750091.db2.gz	VTBBOLIRLMSAPS-UHFFFAOYSA-N	0	0	388.851	4.027	10	30		GIEERN
CCOC(=O)/C(=C/c1ccc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])CC#N	ZINC000095079955	520391705	/nfs/dbraw/zinc/39/17/05/520391705.db2.gz	YDDGBMMTEJHUFA-JXMROGBWSA-N	0	0	378.253	4.109	10	30		GIEERN
CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	ZINC000100037069	520855215	/nfs/dbraw/zinc/85/52/15/520855215.db2.gz	VWHNEDRKEPIGQF-OQKWZONESA-N	0	0	386.517	4.401	10	30		GIEERN
CCc1ccccc1NC1=C(C(=O)OC)C(=O)C(=Cc2ccc(O)cc2)S1	ZINC000036257713	521909999	/nfs/dbraw/zinc/90/99/99/521909999.db2.gz	JDSPBSXNCKYTGY-SFQUDFHCSA-N	0	0	381.453	4.108	10	30		GIEERN
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000005889379	523405799	/nfs/dbraw/zinc/40/57/99/523405799.db2.gz	ZMGUKFHHNQMKJI-JUNGOYSISA-N	0	0	396.439	4.459	10	30		GIEERN
Cc1ccccc1CN1CCN(/C=C\C(=O)c2ccc(OC(F)F)cc2)CC1	ZINC000033580342	525141333	/nfs/dbraw/zinc/14/13/33/525141333.db2.gz	IWGRGNPEQIPHRM-KHPPLWFESA-N	0	0	386.442	4.111	10	30		GIEERN
Cc1nnc(N=NC=CCc2ccccc2)nc1N=NC=CCc1ccccc1	ZINC000027579513	526352218	/nfs/dbraw/zinc/35/22/18/526352218.db2.gz	RETWLLDHVKAOAS-XMJBPFIOSA-N	0	0	383.459	4.402	10	30		GIEERN
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21	ZINC000013464458	526383176	/nfs/dbraw/zinc/38/31/76/526383176.db2.gz	PQPOVKWUNMAKIQ-MGPHGSNQSA-N	0	0	380.344	4.392	10	30		GIEERN
Clc1ccc(CSc2nnc3n(/N=C/c4ccco4)cnn23)c(Cl)c1	ZINC000020479522	526952945	/nfs/dbraw/zinc/95/29/45/526952945.db2.gz	CMOTYXRECVMNAU-CNHKJKLMSA-N	0	0	393.259	4.000	10	30		GIEERN
CC[C@@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000005909365	570802659	/nfs/dbraw/zinc/80/26/59/570802659.db2.gz	UORBWZZLNHSZFQ-KBMXLJTQSA-N	0	0	386.517	4.361	10	30		GIEERN
COc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2ccncc2)cc1	ZINC000045939395	570972852	/nfs/dbraw/zinc/97/28/52/570972852.db2.gz	YSUUKBCDYXZUHV-UHFFFAOYSA-N	0	0	394.862	4.142	10	30		GIEERN
CCCCCCCCCCCC[C@@H](C)[N+](C)(C)C[C@@H](O)CS(=O)(=O)[O-]	ZINC000137503600	717151393	/nfs/dbraw/zinc/15/13/93/717151393.db2.gz	WUFUEDSZDGCOQR-RTBURBONSA-O	0	0	380.615	4.011	10	30		GIEERN
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C#N)c3ccccc32)o1	ZINC000226361892	222707760	/nfs/dbraw/zinc/70/77/60/222707760.db2.gz	LUHKSMNJEZDTLH-UHFFFAOYSA-N	0	0	387.351	4.378	10	30		GIEERN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1	ZINC000015811069	221346024	/nfs/dbraw/zinc/34/60/24/221346024.db2.gz	XJKPJRBYHUQVGE-QGZVFWFLSA-N	0	0	399.494	4.340	10	30		GIEERN
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccccc1	ZINC000034808313	221807071	/nfs/dbraw/zinc/80/70/71/221807071.db2.gz	RIJFURMPKGXAOI-UHFFFAOYSA-N	0	0	389.402	4.494	10	30		GIEERN
C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000085346881	222323184	/nfs/dbraw/zinc/32/31/84/222323184.db2.gz	HFFZPVPMMMUZEE-VMPITWQZSA-N	0	0	378.178	4.360	10	30		GIEERN
C=CCN(Cc1ccncc1)Cc1ccc(-c2nc(C3CCC3)cc(=O)[nH]2)cc1	ZINC000023232318	518792533	/nfs/dbraw/zinc/79/25/33/518792533.db2.gz	HQLLNHYXHJRIHZ-UHFFFAOYSA-N	0	0	386.499	4.288	10	30		GIEERN
COc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1	ZINC000083260744	523159389	/nfs/dbraw/zinc/15/93/89/523159389.db2.gz	JOQDASZTRHFZAI-GRSHGNNSSA-N	0	0	388.290	4.449	10	30		GIEERN
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21	ZINC000013464460	526382334	/nfs/dbraw/zinc/38/23/34/526382334.db2.gz	PQPOVKWUNMAKIQ-XXNDAGMKSA-N	0	0	380.344	4.392	10	30		GIEERN
O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc([O-])c(Cl)c1	ZINC000027526311	527194779	/nfs/dbraw/zinc/19/47/79/527194779.db2.gz	JAIYCRMVSYSOJU-UHFFFAOYSA-O	0	0	388.274	4.284	10	30		GIEERN
Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc(Br)cc2)o1	ZINC000033580314	527592994	/nfs/dbraw/zinc/59/29/94/527592994.db2.gz	DHYOPOLCADMONL-CMDGGOBGSA-N	0	0	387.233	4.251	10	30		GIEERN
NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(F)cc1	ZINC000003885570	570353538	/nfs/dbraw/zinc/35/35/38/570353538.db2.gz	IQFFXUSQCIRWPL-UHFFFAOYSA-N	0	0	385.851	4.319	10	30		GIEERN
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21	ZINC000004322408	570367786	/nfs/dbraw/zinc/36/77/86/570367786.db2.gz	PQPOVKWUNMAKIQ-LHAFSLHOSA-N	0	0	380.344	4.392	10	30		GIEERN
Brc1csc(CN=Nc2ncnc3sc4c(c32)CCC4)c1	ZINC000005749213	570454950	/nfs/dbraw/zinc/45/49/50/570454950.db2.gz	XEYDPZQZPYEBIC-BLLMUTORSA-N	0	0	379.308	4.450	10	30		GIEERN
O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1	ZINC000006485582	230847920	/nfs/dbraw/zinc/84/79/20/230847920.db2.gz	YMOCKJOIASMJTF-OVCLIPMQSA-N	0	0	382.412	4.490	10	30		GIEERN
C=C1[C@H]2CC(=O)[C@@H]([C@H](C)OC(C)=O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC	ZINC000070454428	291135204	/nfs/dbraw/zinc/13/52/04/291135204.db2.gz	CFUPNMDNSQIWBB-ZDKMPTGVSA-N	0	0	390.520	4.260	10	30	endogenous,in-man	GIEERN
CCOc1ccc2nc(-c3c(C#N)c4ccc(OC)cc4oc3=O)sc2c1	ZINC000005863618	220904628	/nfs/dbraw/zinc/90/46/28/220904628.db2.gz	RLIOSGKNGRNYPS-UHFFFAOYSA-N	0	0	378.409	4.349	10	30		GIEERN
CCn1c2ccccc2nc1SCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000008807518	221060053	/nfs/dbraw/zinc/06/00/53/221060053.db2.gz	IUKROIZWLDQJNU-UHFFFAOYSA-N	0	0	382.514	4.209	10	30		GIEERN
S=C1N=NC(COc2ccccc2)N1N=Cc1cccc(Cl)c1Cl	ZINC000015987759	221353249	/nfs/dbraw/zinc/35/32/49/221353249.db2.gz	QQOSXFAHSREJCN-OCKHKDLRSA-N	0	0	379.272	4.335	10	30		GIEERN
COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc(C)c2C#N)cc1	ZINC000027789305	221661439	/nfs/dbraw/zinc/66/14/39/221661439.db2.gz	DENHVWOCDCUOGJ-UHFFFAOYSA-N	0	0	390.468	4.063	10	30		GIEERN
COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cc(OC)cc(OC)c1	ZINC000104909766	222503558	/nfs/dbraw/zinc/50/35/58/222503558.db2.gz	MQGDAKAVJNLHKR-GFMRDNFCSA-N	0	0	392.455	4.375	10	30		GIEERN
C=CCc1ccccc1OCc1ccc(C(=O)NCCc2ccc(O)cc2)o1	ZINC000027983910	519146432	/nfs/dbraw/zinc/14/64/32/519146432.db2.gz	POBBWQPFWRZNET-UHFFFAOYSA-N	0	0	377.440	4.265	10	30		GIEERN
CCOc1ccccc1/C=N/c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000100037074	521447207	/nfs/dbraw/zinc/44/72/07/521447207.db2.gz	SVROFHZFEKVKGU-OQKWZONESA-N	0	0	386.517	4.401	10	30		GIEERN
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC	ZINC000100034527	523430442	/nfs/dbraw/zinc/43/04/42/523430442.db2.gz	ZMGUKFHHNQMKJI-VJGCVFPESA-N	0	0	396.439	4.459	10	30		GIEERN
Cc1nn(CCO)c(C)c1Sc1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1	ZINC000003220752	526281960	/nfs/dbraw/zinc/28/19/60/526281960.db2.gz	QZXMZNWMTKXRFX-FYJGNVAPSA-N	0	0	396.472	4.302	10	30		GIEERN
O=S(=O)(c1ccc(/N=C\c2c(O)ccc3ccccc32)cc1)N1CCCCC1	ZINC000100236924	527269841	/nfs/dbraw/zinc/26/98/41/527269841.db2.gz	RBFCISNFMKBGJM-KQWNVCNZSA-N	0	0	394.496	4.471	10	30		GIEERN
C=CCCC(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@@H]1CCCO1	ZINC000012245437	570277209	/nfs/dbraw/zinc/27/72/09/570277209.db2.gz	YBOWIGYBJICKFG-FQEVSTJZSA-N	0	0	381.520	4.083	10	30		GIEERN
COc1cc(CN=Nc2c(F)c(F)c(Br)c(F)c2F)ccc1O	ZINC000005915931	570461623	/nfs/dbraw/zinc/46/16/23/570461623.db2.gz	NYROKIIAFNXZCX-DENHBWNVSA-N	0	0	393.134	4.166	10	30		GIEERN
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#Cc1cnc2ccnn2c1	ZINC000095592818	222357890	/nfs/dbraw/zinc/35/78/90/222357890.db2.gz	PSBGROLQRNSAMY-UHFFFAOYSA-N	0	0	386.842	4.343	10	30	in-vitro	GIEERN
C=CCN1c2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2SCC1=O	ZINC000003040931	518874822	/nfs/dbraw/zinc/87/48/22/518874822.db2.gz	PISHYQAWDZKAOE-MRXNPFEDSA-N	0	0	380.513	4.062	10	30		GIEERN
COc1cc(/C=N\n2cnnc2SCc2ccccc2)ccc1OC(C)C	ZINC000000940351	522011420	/nfs/dbraw/zinc/01/14/20/522011420.db2.gz	KLXSLFCBAKOLFV-UUYOSTAYSA-N	0	0	382.489	4.248	10	30		GIEERN
Cc1c(C=NNc2ccccn2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000005446462	525520003	/nfs/dbraw/zinc/52/00/03/525520003.db2.gz	YNCYVDVRPPCSAC-ZVHZXABRSA-N	0	0	399.410	4.228	10	30		GIEERN
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21	ZINC000004322407	570367774	/nfs/dbraw/zinc/36/77/74/570367774.db2.gz	PQPOVKWUNMAKIQ-DWGUMQCTSA-N	0	0	380.344	4.392	10	30		GIEERN
COc1ccc(-c2c(C)c(C)[nH]c(=O)c2C#N)c(OCc2ccccc2)c1OC	ZINC000017424284	212149504	/nfs/dbraw/zinc/14/95/04/212149504.db2.gz	KVABCLHBOJWIRG-UHFFFAOYSA-N	0	0	390.439	4.127	10	30		GIEERN
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000003873877	212078576	/nfs/dbraw/zinc/07/85/76/212078576.db2.gz	NSBRKSWSLRQPJW-QDGJQWLKSA-N	0	0	396.487	4.354	10	30		GIEERN
CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2	ZINC000005560584	220883487	/nfs/dbraw/zinc/88/34/87/220883487.db2.gz	UCULKEAHLIEHIM-UFFVCSGVSA-N	0	0	381.310	4.221	10	30		GIEERN
Cc1c(C(=O)Oc2cc(C)ccc2C(C)C)oc2c1/C(=N/NC(N)=S)CCC2	ZINC000040824645	221931125	/nfs/dbraw/zinc/93/11/25/221931125.db2.gz	WXCMSJASZRKHBS-HZHRSRAPSA-N	0	0	399.516	4.113	10	30		GIEERN
Cc1ccc2c(c1)c1nnc(N=NCc3ccc(N(C)C)cc3)nc1n2C(C)C	ZINC000040827583	221931275	/nfs/dbraw/zinc/93/12/75/221931275.db2.gz	ZRYVEDUNRVPGRH-YDZHTSKRSA-N	0	0	387.491	4.381	10	30		GIEERN
N#Cc1ccccc1-c1ccc(CN2CCc3nc[nH]c3[C@H]2c2ccncc2)o1	ZINC000071765455	222195665	/nfs/dbraw/zinc/19/56/65/222195665.db2.gz	FJHMDGVCHJPNJO-HSZRJFAPSA-N	0	0	381.439	4.084	10	30		GIEERN
CC(N=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(O)cc1	ZINC000057341764	518463178	/nfs/dbraw/zinc/46/31/78/518463178.db2.gz	WDPXRLLVCSELFO-UFWORHAWSA-N	0	0	384.270	4.064	10	30		GIEERN
C/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012603062	518573365	/nfs/dbraw/zinc/57/33/65/518573365.db2.gz	OKBYVQJDTFQJBM-MDCRQLBCSA-N	0	0	378.866	4.252	10	30		GIEERN
C=CCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1nnc(C)s1	ZINC000035625259	518828932	/nfs/dbraw/zinc/82/89/32/518828932.db2.gz	BPWASQFREXUPHI-AFEKCPOISA-N	0	0	376.894	4.290	10	30		GIEERN
C=CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2C[C@H]1CCCCO1	ZINC000035927826	519063522	/nfs/dbraw/zinc/06/35/22/519063522.db2.gz	BKBIYKFQVGKCOF-GOSISDBHSA-N	0	0	394.471	4.298	10	30		GIEERN
Oc1ccc(C#Cc2c(F)c(F)c(C#Cc3ccc(O)cc3)c(F)c2F)cc1	ZINC000096308484	526343647	/nfs/dbraw/zinc/34/36/47/526343647.db2.gz	GZQFLNAHKNYEGY-UHFFFAOYSA-N	0	0	382.312	4.454	10	30		GIEERN
Cn1ccc(C(=O)/C=C/c2ccc(COc3cccc(Br)c3)o2)n1	ZINC000033580365	527338545	/nfs/dbraw/zinc/33/85/45/527338545.db2.gz	JZAQYTPXVXLSIW-BQYQJAHWSA-N	0	0	387.233	4.251	10	30		GIEERN
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl	ZINC000004411032	527537194	/nfs/dbraw/zinc/53/71/94/527537194.db2.gz	PHTZDQJNJXNCSE-UHFFFAOYSA-N	0	0	384.179	4.476	10	30		GIEERN
C=CCc1ccccc1OCCOc1cccc(/C=C2/SC(=N)NC2=O)c1	ZINC000006192777	570324799	/nfs/dbraw/zinc/32/47/99/570324799.db2.gz	ASRZADDRGNRZKD-XMHGGMMESA-N	0	0	380.469	4.012	10	30		GIEERN
NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc(Cl)cc1	ZINC000003885581	570353338	/nfs/dbraw/zinc/35/33/38/570353338.db2.gz	WKRTWCLWHFKFHL-UHFFFAOYSA-N	0	0	385.851	4.319	10	30		GIEERN
O=C1C=C/C(=N\S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)C=C1Cl	ZINC000005555503	570633523	/nfs/dbraw/zinc/63/35/23/570633523.db2.gz	LZEMYTBMFUCTFE-UBKPWBPPSA-N	0	0	385.055	4.038	10	30		GIEERN
CC(=O)OCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005138036	220834327	/nfs/dbraw/zinc/83/43/27/220834327.db2.gz	QLRDACXDRLGLOC-QURGRASLSA-N	0	0	381.392	4.293	10	30		GIEERN
C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21	ZINC000226362791	136192751	/nfs/dbraw/zinc/19/27/51/136192751.db2.gz	YKRPMOCYWUVDHC-OAHLLOKOSA-N	0	0	388.427	4.488	10	30		GIEERN
C#CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1	ZINC000226307129	518294956	/nfs/dbraw/zinc/29/49/56/518294956.db2.gz	ROPACWBILSLNBL-UHFFFAOYSA-N	0	0	393.620	4.112	10	30		GIEERN
CCOc1ccc(CN=Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	ZINC000038203153	520855808	/nfs/dbraw/zinc/85/58/08/520855808.db2.gz	IMWBPHXWDKAGEO-MTJSOVHGSA-N	0	0	383.473	4.094	10	30		GIEERN
COc1ccc(NC(=O)C(Cl)=C(Cl)[S@@](=O)Cc2ccccc2)cn1	ZINC000033336304	523464697	/nfs/dbraw/zinc/46/46/97/523464697.db2.gz	XNTUIWIKFGPDFS-DJKHGBOQSA-N	0	0	385.272	4.274	10	30		GIEERN
COc1ccccc1/C=N\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000005721147	524326477	/nfs/dbraw/zinc/32/64/77/524326477.db2.gz	RYFIMLYCTYXZOC-KQWNVCNZSA-N	0	0	392.480	4.197	10	30		GIEERN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccc2C)cc1	ZINC000028629518	525789970	/nfs/dbraw/zinc/78/99/70/525789970.db2.gz	BGASFAIZMOQRHH-HXUWFJFHSA-N	0	0	384.435	4.481	10	30		GIEERN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccc2C)cc1	ZINC000028629517	525984335	/nfs/dbraw/zinc/98/43/35/525984335.db2.gz	BGASFAIZMOQRHH-FQEVSTJZSA-N	0	0	384.435	4.481	10	30		GIEERN
CC(=O)O/N=C1\c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2Cl)C1=O	ZINC000503919366	527107967	/nfs/dbraw/zinc/10/79/67/527107967.db2.gz	GKQQANXYRVOLGU-LTGZKZEYSA-N	0	0	397.645	4.461	10	30		GIEERN