smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)cc1	ZINC000059135780	257851150	/nfs/dbraw/zinc/85/11/50/257851150.db2.gz	BNEMSJYYDORMPD-FMIVXFBMSA-N	0	1	342.351	3.203	40	10		EGCBMN
CCOc1cccc(CN[C@H](c2n[nH]c(C)n2)c2ccccc2)c1O	ZINC000069168836	202271389	/nfs/dbraw/zinc/27/13/89/202271389.db2.gz	IMJLYAXRMNVTBG-KRWDZBQOSA-N	0	1	338.411	3.097	40	10		EGCBMN
CC(=O)NCCc1cnc(N=Nc2ccc(Br)cc2)[nH]1	ZINC000104182382	204100020	/nfs/dbraw/zinc/10/00/20/204100020.db2.gz	GGZSHVUZOINSCW-HNENSFHCSA-N	0	1	336.193	3.266	40	10		EGCBMN
CN1CCN(c2ccc(CNC(=O)c3cc4ccccc4o3)cc2)CC1	ZINC000004362596	452801955	/nfs/dbraw/zinc/80/19/55/452801955.db2.gz	MEOGPFIEBPFLAT-UHFFFAOYSA-N	0	1	349.434	3.115	40	10		EGCBMN
C=C1N=C(SCC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408990907	457591624	/nfs/dbraw/zinc/59/16/24/457591624.db2.gz	OWAPSGRYKCKEOM-MRXNPFEDSA-N	0	1	347.484	3.343	40	10		EGCBMN
CC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)ccc1[O-]	ZINC000156202605	206063621	/nfs/dbraw/zinc/06/36/21/206063621.db2.gz	ZNHCISIFMADZLR-JSGCOSHPSA-N	0	1	346.290	3.063	40	10		EGCBMN
Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1	ZINC000001602789	452669564	/nfs/dbraw/zinc/66/95/64/452669564.db2.gz	PRTJJFWCXPFMPU-UHFFFAOYSA-N	0	1	331.422	3.193	40	10		EGCBMN
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1	ZINC000059135687	454254023	/nfs/dbraw/zinc/25/40/23/454254023.db2.gz	USXJJLFZHBZAHB-ZRDIBKRKSA-N	0	1	326.352	3.497	40	10		EGCBMN
C=C1N=C(SCC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC	ZINC000408990905	457590864	/nfs/dbraw/zinc/59/08/64/457590864.db2.gz	OWAPSGRYKCKEOM-INIZCTEOSA-N	0	1	347.484	3.343	40	10		EGCBMN
O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1	ZINC000059105559	454253250	/nfs/dbraw/zinc/25/32/50/454253250.db2.gz	UIFKRBZWNMXGKO-UHFFFAOYSA-N	0	1	334.690	3.329	40	10		EGCBMN
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/NC(=O)NC3=O)cc21	ZINC000223482214	456057631	/nfs/dbraw/zinc/05/76/31/456057631.db2.gz	UYPHTYDDVYLDKP-OQLLNIDSSA-N	0	1	325.412	3.277	40	10		EGCBMN
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1	ZINC000015013891	280279304	/nfs/dbraw/zinc/27/93/04/280279304.db2.gz	XVMLYJSNFUNHIV-UVTDQMKNSA-N	0	1	332.787	3.135	40	10		EGCBMN
CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O	ZINC000199426986	1296088979	/nfs/dbraw/zinc/08/89/79/1296088979.db2.gz	TYEUHBNBXXDMEK-SFHVURJKSA-N	0	1	338.451	3.234	40	10		EGCBMN
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1	ZINC000409020346	457592758	/nfs/dbraw/zinc/59/27/58/457592758.db2.gz	OGLZFUJXDOQFFJ-NTEUORMPSA-N	0	1	342.445	3.196	40	10		EGCBMN
CCOC(=O)[C@H](N=Nc1ccc(C)cc1Br)C(C)=O	ZINC000104243195	204101092	/nfs/dbraw/zinc/10/10/92/204101092.db2.gz	TWURBUNOBXNZFQ-KXEGMRRWSA-N	0	1	327.178	3.362	40	10		EGCBMN
Cn1cccc1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000000441042	294375253	/nfs/dbraw/zinc/37/52/53/294375253.db2.gz	CRIVBUAUNIRSSO-UKTHLTGXSA-N	0	1	345.811	3.350	40	10		EGCBMN
Cc1cc(=O)oc2c1ccc(O)c2C1=NN(C=O)[C@@H](c2ccccc2)C1	ZINC000017194140	453631004	/nfs/dbraw/zinc/63/10/04/453631004.db2.gz	QLTDYGIOVYGJHR-MRXNPFEDSA-N	0	1	348.358	3.115	40	10		EGCBMN
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc(O)c1	ZINC000059135727	454254512	/nfs/dbraw/zinc/25/45/12/454254512.db2.gz	NZTIWVPLZZHXHL-FMIVXFBMSA-N	0	1	342.351	3.203	40	10		EGCBMN
CCN1c2cc(C)c(/C=C3/NC(=O)NC3=O)cc2[C@H](C)CC1(C)C	ZINC000208319016	456019291	/nfs/dbraw/zinc/01/92/91/456019291.db2.gz	LVHJGCHQNKLBBC-KMHUVPDISA-N	0	1	327.428	3.287	40	10		EGCBMN
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1	ZINC000409127235	457595168	/nfs/dbraw/zinc/59/51/68/457595168.db2.gz	CCJCWCVNUJYNPV-NTEUORMPSA-N	0	1	340.404	3.036	40	10		EGCBMN
CCN1c2cc(C)c(/C=C3/NC(=O)NC3=O)cc2C(C)=CC1(C)C	ZINC000208522236	456019078	/nfs/dbraw/zinc/01/90/78/456019078.db2.gz	HQHOEFRIWCWXOW-OQLLNIDSSA-N	0	1	325.412	3.197	40	10		EGCBMN
CC(C)c1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)cc1	ZINC000409235265	457597389	/nfs/dbraw/zinc/59/73/89/457597389.db2.gz	ZHCUOBGLANZRPD-OQLLNIDSSA-N	0	1	340.404	3.234	40	10		EGCBMN
CCOC(=O)[C@H](N=Nc1ccc(C)cc1Br)C(C)=O	ZINC000104243202	219364296	/nfs/dbraw/zinc/36/42/96/219364296.db2.gz	TWURBUNOBXNZFQ-IUDBQGPFSA-N	0	1	327.178	3.362	40	10		EGCBMN
Cc1nc([C@H](NCc2cc(Cl)ccc2O)c2ccccc2)n[nH]1	ZINC000069168772	215367233	/nfs/dbraw/zinc/36/72/33/215367233.db2.gz	GUGMBOADANTIHY-MRXNPFEDSA-N	0	1	328.803	3.351	40	10		EGCBMN
CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	ZINC000034713522	453920314	/nfs/dbraw/zinc/92/03/14/453920314.db2.gz	SNKHDZFNGJKBGQ-LGMDPLHJSA-N	0	1	336.391	3.325	40	10		EGCBMN
O=[N+]([O-])c1ccccc1CNCc1ccc(N2CCSCC2)cc1	ZINC000078394119	454247672	/nfs/dbraw/zinc/24/76/72/454247672.db2.gz	CPDMUXJPPLLBGB-UHFFFAOYSA-N	0	1	343.452	3.438	40	10		EGCBMN
CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	ZINC000409398407	457598628	/nfs/dbraw/zinc/59/86/28/457598628.db2.gz	AKFDCAXULPCLSI-PTNGSMBKSA-N	0	1	342.782	3.200	40	10		EGCBMN
COc1ccc(N2C(=O)C(=Cc3ccsc3)C(=O)NC2=S)cc1	ZINC000000441049	286323462	/nfs/dbraw/zinc/32/34/62/286323462.db2.gz	YAKJBBQYDFRABX-MDWZMJQESA-N	0	1	344.417	3.428	40	10		EGCBMN
CCCCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(N(C)C)cc1	ZINC000005002757	210357391	/nfs/dbraw/zinc/35/73/91/210357391.db2.gz	JYKAYOSFWFSCMM-QGZVFWFLSA-N	0	1	345.443	3.114	40	10		EGCBMN
Oc1ccccc1CNC1(Cc2cc(-c3ccccc3)on2)COC1	ZINC000072321930	216149894	/nfs/dbraw/zinc/14/98/94/216149894.db2.gz	LWTYHORSFKGFEJ-UHFFFAOYSA-N	0	1	336.391	3.149	40	10	biogenic,in-vitro	EGCBMN
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3cccnc3c2[O-])C1	ZINC000021673339	212238960	/nfs/dbraw/zinc/23/89/60/212238960.db2.gz	FIPMGUDDBKBODJ-GFCCVEGCSA-N	0	1	348.830	3.369	40	10		EGCBMN
CC(=O)NCCc1[nH]cnc1N=Nc1ccc(Br)cc1	ZINC000017043807	453626504	/nfs/dbraw/zinc/62/65/04/453626504.db2.gz	FJIBPEZMMFUECK-VHEBQXMUSA-N	0	1	336.193	3.266	40	10		EGCBMN
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000408965438	457589486	/nfs/dbraw/zinc/58/94/86/457589486.db2.gz	HNMGPEXWPGEWSZ-DHZHZOJOSA-N	0	1	348.836	3.233	40	10		EGCBMN
COc1ccc(N2CCN(CCOc3cccc(C)c3)CC2)cc1	ZINC000039561394	536699239	/nfs/dbraw/zinc/69/92/39/536699239.db2.gz	VRQOUUDOSMBSTL-UHFFFAOYSA-N	0	1	326.440	3.205	40	10		EGCBMN
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccco2)C(=O)NC1=S	ZINC000409102604	457593962	/nfs/dbraw/zinc/59/39/62/457593962.db2.gz	DNMOXAWACGFDDK-DHZHZOJOSA-N	0	1	346.795	3.073	40	10		EGCBMN
CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	ZINC000409405128	457598885	/nfs/dbraw/zinc/59/88/85/457598885.db2.gz	GMDZAMASHVFASI-UVTDQMKNSA-N	0	1	342.782	3.200	40	10		EGCBMN
CC(=O)NCCc1[nH]cnc1N=Nc1ccc(Br)cc1	ZINC000104182377	219357116	/nfs/dbraw/zinc/35/71/16/219357116.db2.gz	FJIBPEZMMFUECK-HNENSFHCSA-N	0	1	336.193	3.266	40	10		EGCBMN
Cc1ccccc1N1C(=O)C(=Cc2cccn2C)C(=O)NC1=S	ZINC000001298893	452650923	/nfs/dbraw/zinc/65/09/23/452650923.db2.gz	YJEUTESYFJHDIU-JLHYYAGUSA-N	0	1	325.393	3.005	40	10		EGCBMN
O=C1CC2(CCCC2)C(=O)N1c1ccc([O-])c(C[NH+]2CCCCC2)c1	ZINC000001568798	452666949	/nfs/dbraw/zinc/66/69/49/452666949.db2.gz	WTSAPITVHZANSZ-UHFFFAOYSA-N	0	1	342.439	3.202	40	10		EGCBMN
CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cc(Br)ccc1[O-]	ZINC000156955525	455158437	/nfs/dbraw/zinc/15/84/37/455158437.db2.gz	GDSYGQJFIQGBDD-CQSZACIVSA-N	0	1	338.249	3.438	40	10		EGCBMN
CC(C)(C)N1C(=O)NC(=O)C(=CNc2ccc3c(c2)CCC3)C1=O	ZINC000102551630	1292978462	/nfs/dbraw/zinc/97/84/62/1292978462.db2.gz	OFSXNKZHCUGWAS-GXDHUFHOSA-N	0	1	327.384	3.188	40	10		EGCBMN
CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c3cccnc3c2[O-])C1	ZINC000021673343	212238597	/nfs/dbraw/zinc/23/85/97/212238597.db2.gz	FIPMGUDDBKBODJ-LBPRGKRZSA-N	0	1	348.830	3.369	40	10		EGCBMN
CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Br)ccc1[O-]	ZINC000156202368	455092363	/nfs/dbraw/zinc/09/23/63/455092363.db2.gz	ZNHCISIFMADZLR-GXTWGEPZSA-N	0	1	346.290	3.063	40	10		EGCBMN
CC(C)N1c2ccc(/C=C3/NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C	ZINC000223550530	456058818	/nfs/dbraw/zinc/05/88/18/456058818.db2.gz	FVKYZDUBQYYQMU-DGGAMASNSA-N	0	1	327.428	3.368	40	10		EGCBMN
Cc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)cc1Cl	ZINC000409231613	457595907	/nfs/dbraw/zinc/59/59/07/457595907.db2.gz	DDFNTHVLOFOEHX-WUXMJOGZSA-N	0	1	346.795	3.073	40	10		EGCBMN
FC(F)(F)c1n[nH]c(-c2cccs2)c1N=NN1CCOCC1	ZINC000104119106	219348898	/nfs/dbraw/zinc/34/88/98/219348898.db2.gz	GMVNHSNIFYDYST-HTXNQAPBSA-N	0	1	331.323	3.488	40	10		EGCBMN
CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1[O-]	ZINC000156412344	455115185	/nfs/dbraw/zinc/11/51/85/455115185.db2.gz	DIIGVRKNXXIVGU-ZKYQVNSYSA-N	0	1	326.234	3.132	40	10		EGCBMN
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc2ccccc21	ZINC000408822273	457588865	/nfs/dbraw/zinc/58/88/65/457588865.db2.gz	LKCZWIFDCCDIET-BOPFTXTBSA-N	0	1	331.375	3.428	40	10		EGCBMN
Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000000209189	452538005	/nfs/dbraw/zinc/53/80/05/452538005.db2.gz	LZBPRDUNDSUHTR-RIYZIHGNSA-N	0	1	326.312	3.023	40	10		EGCBMN
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1[nH]nc2ccccc21	ZINC000072966521	454372698	/nfs/dbraw/zinc/37/26/98/454372698.db2.gz	USXDYLTYIWESRQ-UHFFFAOYSA-N	0	1	334.423	3.435	40	10		EGCBMN
Cc1nn(C)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O	ZINC000408755779	457587888	/nfs/dbraw/zinc/58/78/88/457587888.db2.gz	FLJDNZNKLVWVKI-OQLLNIDSSA-N	0	1	343.818	3.409	40	10		EGCBMN
O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1	ZINC000000342448	452566629	/nfs/dbraw/zinc/56/66/29/452566629.db2.gz	RUGYIKVYDGAVDT-ZROIWOOFSA-N	0	1	332.281	3.167	40	10		EGCBMN
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1	ZINC000408873686	457588389	/nfs/dbraw/zinc/58/83/89/457588389.db2.gz	WFUSKQFSGSYWAS-UVTDQMKNSA-N	0	1	342.807	3.171	40	10		EGCBMN
CCOc1cccc(CN[C@@H](c2n[nH]c(C)n2)c2ccccc2)c1O	ZINC000069168837	215367577	/nfs/dbraw/zinc/36/75/77/215367577.db2.gz	IMJLYAXRMNVTBG-QGZVFWFLSA-N	0	1	338.411	3.097	40	10		EGCBMN
CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(Br)ccc1[O-]	ZINC000156202489	455092542	/nfs/dbraw/zinc/09/25/42/455092542.db2.gz	ZNHCISIFMADZLR-TZMCWYRMSA-N	0	1	346.290	3.063	40	10		EGCBMN
Cc1nn(C)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O	ZINC000408757979	457587844	/nfs/dbraw/zinc/58/78/44/457587844.db2.gz	SYLSBUAYGSSJOD-LICLKQGHSA-N	0	1	337.427	3.372	40	10		EGCBMN
CCOc1ccc(NC=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1	ZINC000102546163	1292978546	/nfs/dbraw/zinc/97/85/46/1292978546.db2.gz	ILLBGDBGGTUGGV-JLHYYAGUSA-N	0	1	331.372	3.098	40	10		EGCBMN
CCCCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(C)C)cc1	ZINC000005002758	210356785	/nfs/dbraw/zinc/35/67/85/210356785.db2.gz	JYKAYOSFWFSCMM-KRWDZBQOSA-N	0	1	345.443	3.114	40	10		EGCBMN
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)NC3=O)cc21	ZINC000208473210	278493764	/nfs/dbraw/zinc/49/37/64/278493764.db2.gz	QLAMCFBFKRDAPP-AWNIVKPZSA-N	0	1	331.803	3.152	40	10		EGCBMN
CCN1c2cc(C)c(/C=C3/NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C	ZINC000223577474	456058909	/nfs/dbraw/zinc/05/89/09/456058909.db2.gz	LVHJGCHQNKLBBC-DGGAMASNSA-N	0	1	327.428	3.287	40	10		EGCBMN
Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O	ZINC000409000949	457591593	/nfs/dbraw/zinc/59/15/93/457591593.db2.gz	OBARPEANESDOSD-UKTHLTGXSA-N	0	1	342.445	3.196	40	10		EGCBMN
Cc1nc([C@@H](NCc2cc(Cl)ccc2O)c2ccccc2)n[nH]1	ZINC000069168773	215367744	/nfs/dbraw/zinc/36/77/44/215367744.db2.gz	GUGMBOADANTIHY-INIZCTEOSA-N	0	1	328.803	3.351	40	10		EGCBMN
CC[C@H]([NH2+]CCc1ccnn1C)c1cc(Br)ccc1[O-]	ZINC000158119545	455271297	/nfs/dbraw/zinc/27/12/97/455271297.db2.gz	DYEMUGNPSMBYOK-AWEZNQCLSA-N	0	1	338.249	3.172	40	10		EGCBMN
CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	ZINC000409409991	457599000	/nfs/dbraw/zinc/59/90/00/457599000.db2.gz	YDMQYADCVNAETN-RVAQLADHSA-N	0	1	336.391	3.325	40	10		EGCBMN
Oc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCCN32)cc1O	ZINC000012188573	453350427	/nfs/dbraw/zinc/35/04/27/453350427.db2.gz	MTXVFUZVZDDGTK-MRXNPFEDSA-N	0	1	329.787	3.328	40	10		EGCBMN
Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C	ZINC000033385770	453915020	/nfs/dbraw/zinc/91/50/20/453915020.db2.gz	RWICPLCUBBCTFF-XNTDXEJSSA-N	0	1	329.400	3.277	40	10		EGCBMN
CC[C@H]([NH2+]Cc1cnn(C)c1C)c1cc(Br)ccc1[O-]	ZINC000156955387	455158577	/nfs/dbraw/zinc/15/85/77/455158577.db2.gz	GDSYGQJFIQGBDD-AWEZNQCLSA-N	0	1	338.249	3.438	40	10		EGCBMN
Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)cc1Cl	ZINC000409228049	457596168	/nfs/dbraw/zinc/59/61/68/457596168.db2.gz	SWSKNLOATFHFGH-XYOKQWHBSA-N	0	1	346.795	3.073	40	10		EGCBMN
CCc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)cc1	ZINC000107971549	454779226	/nfs/dbraw/zinc/77/92/26/454779226.db2.gz	QEJWSCIFTAAFQH-GXDHUFHOSA-N	0	1	342.445	3.142	40	10		EGCBMN
CC(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1O	ZINC000199427004	1296088920	/nfs/dbraw/zinc/08/89/20/1296088920.db2.gz	TYEUHBNBXXDMEK-GOSISDBHSA-N	0	1	338.451	3.234	40	10		EGCBMN
CCOC(=O)[C@@H](N=Nc1ccc(C)cc1Br)C(C)=O	ZINC000104243211	219364305	/nfs/dbraw/zinc/36/43/05/219364305.db2.gz	TWURBUNOBXNZFQ-VVLLMFOMSA-N	0	1	327.178	3.362	40	10		EGCBMN
CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O	ZINC000013574906	453472604	/nfs/dbraw/zinc/47/26/04/453472604.db2.gz	ZUICYHSFKVTBBI-PTNGSMBKSA-N	0	1	342.782	3.200	40	10		EGCBMN
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1	ZINC000224858597	456069777	/nfs/dbraw/zinc/06/97/77/456069777.db2.gz	TZXJPTYHLCAVJM-GXDHUFHOSA-N	0	1	342.807	3.171	40	10		EGCBMN
CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1[O-]	ZINC000156412248	201399290	/nfs/dbraw/zinc/39/92/90/201399290.db2.gz	DIIGVRKNXXIVGU-SUHUHFCYSA-N	0	1	326.234	3.132	40	10		EGCBMN
Oc1ccc(Cl)cc1CN1CCC(O)(c2cccnc2F)CC1	ZINC000013265819	453456014	/nfs/dbraw/zinc/45/60/14/453456014.db2.gz	ACKIHHONIOJIAF-UHFFFAOYSA-N	0	1	336.794	3.063	40	10		EGCBMN
Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000059961069	454265199	/nfs/dbraw/zinc/26/51/99/454265199.db2.gz	FIADZSLJOUKQAZ-UHFFFAOYSA-N	0	1	333.438	3.351	40	10		EGCBMN
O=C(c1cccc2nn[nH]c21)N(Cc1ccco1)Cc1ccccc1O	ZINC000188396765	456056031	/nfs/dbraw/zinc/05/60/31/456056031.db2.gz	FXTADMFIVKXSKF-UHFFFAOYSA-N	0	1	348.362	3.099	40	10		EGCBMN
CCOC(=O)[C@@H](N=Nc1ccc(C)cc1Br)C(C)=O	ZINC000104243205	204102422	/nfs/dbraw/zinc/10/24/22/204102422.db2.gz	TWURBUNOBXNZFQ-SUQMRRJOSA-N	0	1	327.178	3.362	40	10		EGCBMN
Oc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCCN32)cc1O	ZINC000012188576	280452177	/nfs/dbraw/zinc/45/21/77/280452177.db2.gz	MTXVFUZVZDDGTK-INIZCTEOSA-N	0	1	329.787	3.328	40	10		EGCBMN
FC(F)(F)c1n[nH]c(-c2cccs2)c1N=NN1CCOCC1	ZINC000016932207	453624105	/nfs/dbraw/zinc/62/41/05/453624105.db2.gz	GMVNHSNIFYDYST-ZPHPHTNESA-N	0	1	331.323	3.488	40	10		EGCBMN
CCCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	ZINC000090447648	454305692	/nfs/dbraw/zinc/30/56/92/454305692.db2.gz	MLMFINZRYUHFSV-NBVRZTHBSA-N	0	1	336.391	3.327	40	10		EGCBMN
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccsc1	ZINC000409229753	457595632	/nfs/dbraw/zinc/59/56/32/457595632.db2.gz	UPPAVNFLFBMWLN-JXMROGBWSA-N	0	1	348.836	3.233	40	10		EGCBMN
Cc1cc(=O)oc2c1ccc(O)c2C1=NN(C=O)[C@H](c2ccccc2)C1	ZINC000005885980	280306094	/nfs/dbraw/zinc/30/60/94/280306094.db2.gz	QLTDYGIOVYGJHR-INIZCTEOSA-N	0	1	348.358	3.115	40	10		EGCBMN
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12	ZINC000000344834	452568602	/nfs/dbraw/zinc/56/86/02/452568602.db2.gz	LDJUKZFDLRSGIK-OVCLIPMQSA-N	0	1	337.766	3.283	40	10		EGCBMN
O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Cl)cc(Cl)c1O	ZINC000058865900	454239574	/nfs/dbraw/zinc/23/95/74/454239574.db2.gz	NJKFLJAAMGFTDV-UHFFFAOYSA-N	0	1	343.162	3.453	40	10		EGCBMN
CC[C@@H]([NH2+]CCc1ccnn1C)c1cc(Br)ccc1[O-]	ZINC000158119676	455271245	/nfs/dbraw/zinc/27/12/45/455271245.db2.gz	DYEMUGNPSMBYOK-CQSZACIVSA-N	0	1	338.249	3.172	40	10		EGCBMN
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(O)c(Cl)c1	ZINC000038185360	453939795	/nfs/dbraw/zinc/93/97/95/453939795.db2.gz	UFRNNWPWJPLCDG-IZZDOVSWSA-N	0	1	346.726	3.141	40	10		EGCBMN
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)NC3=O)cc21	ZINC000208244483	241068152	/nfs/dbraw/zinc/06/81/52/241068152.db2.gz	HXTOKHSCQIBPIJ-CVSYOPMASA-N	0	1	333.819	3.242	40	10		EGCBMN
COc1ccccc1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O	ZINC000033807112	453917098	/nfs/dbraw/zinc/91/70/98/453917098.db2.gz	LZBZWDKZQGUPKB-KAMYIIQDSA-N	0	1	338.388	3.367	40	10		EGCBMN
O=C(NCCCSc1nccs1)c1ccc(O)c(Cl)c1	ZINC000096413353	218770429	/nfs/dbraw/zinc/77/04/29/218770429.db2.gz	MMPSVRHIPNUHME-UHFFFAOYSA-N	0	1	328.846	3.414	40	10		EGCBMN
Cc1cc(N2CCCC2)c(F)cc1CN(CCO)Cc1cccnc1	ZINC000012147793	453347739	/nfs/dbraw/zinc/34/77/39/453347739.db2.gz	JDYDEEXIEMNWTE-UHFFFAOYSA-N	0	1	343.446	3.124	40	10		EGCBMN
COc1cccc(-c2cnc(NCc3ccc(O)c(O)c3)n2C)c1	ZINC000199412832	1296088956	/nfs/dbraw/zinc/08/89/56/1296088956.db2.gz	JEFFPJWBDYJZRK-UHFFFAOYSA-N	0	1	325.368	3.119	40	10		EGCBMN
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1	ZINC000408722290	457587715	/nfs/dbraw/zinc/58/77/15/457587715.db2.gz	GPQXJVNMXUWFPH-NTEUORMPSA-N	0	1	342.807	3.171	40	10		EGCBMN
Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3)C2=O)cc1C	ZINC000005618124	452887978	/nfs/dbraw/zinc/88/79/78/452887978.db2.gz	RJBYFTIAWIQRAR-YBEGLDIGSA-N	0	1	326.783	3.418	40	10		EGCBMN
CCc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)cc1	ZINC000409377724	457598752	/nfs/dbraw/zinc/59/87/52/457598752.db2.gz	JFOAWCQIECDBNH-NTEUORMPSA-N	0	1	342.445	3.142	40	10		EGCBMN
Cc1ccc(N2C(=O)C(=Cc3cccn3C)C(=O)NC2=S)cc1	ZINC000001251400	280859286	/nfs/dbraw/zinc/85/92/86/280859286.db2.gz	ZVPPWSKNOPHNQR-GXDHUFHOSA-N	0	1	325.393	3.005	40	10		EGCBMN
Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1F	ZINC000409047441	457592740	/nfs/dbraw/zinc/59/27/40/457592740.db2.gz	OPYCXEKQZCEKHD-LICLKQGHSA-N	0	1	349.365	3.317	40	10		EGCBMN
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)o1	ZINC000409131839	457594415	/nfs/dbraw/zinc/59/44/15/457594415.db2.gz	PBFCDMTUZVYJOX-NTEUORMPSA-N	0	1	340.404	3.036	40	10		EGCBMN
CCCc1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)cn1	ZINC000019525762	212038329	/nfs/dbraw/zinc/03/83/29/212038329.db2.gz	RFPGKGOWZJZPNI-UHFFFAOYSA-N	0	1	340.471	3.150	40	10		EGCBMN
CC[C@@H]([NH2+]CCc1nc(C)no1)c1cc(Br)ccc1[O-]	ZINC000156480709	455123894	/nfs/dbraw/zinc/12/38/94/455123894.db2.gz	CMGFVJVUZXXDDZ-GFCCVEGCSA-N	0	1	340.221	3.130	40	10		EGCBMN
Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1	ZINC000408917699	457590376	/nfs/dbraw/zinc/59/03/76/457590376.db2.gz	AEKIEQHYWCKPDA-GZTJUZNOSA-N	0	1	331.375	3.178	40	10		EGCBMN
CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	ZINC000409409994	457598419	/nfs/dbraw/zinc/59/84/19/457598419.db2.gz	YDMQYADCVNAETN-VVTMIQRTSA-N	0	1	336.391	3.325	40	10		EGCBMN
Cc1cccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1C	ZINC000409125886	457594335	/nfs/dbraw/zinc/59/43/35/457594335.db2.gz	KQTWLEWFGZMMKM-MDWZMJQESA-N	0	1	342.445	3.196	40	10		EGCBMN
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1	ZINC000409245151	457596922	/nfs/dbraw/zinc/59/69/22/457596922.db2.gz	OCKIHARJEZAPQG-MDWZMJQESA-N	0	1	342.445	3.196	40	10		EGCBMN
CC(=O)NCCc1cnc(N=Nc2ccc(Br)cc2)[nH]1	ZINC000017043821	453626644	/nfs/dbraw/zinc/62/66/44/453626644.db2.gz	GGZSHVUZOINSCW-VHEBQXMUSA-N	0	1	336.193	3.266	40	10		EGCBMN
Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	ZINC000409000983	457591634	/nfs/dbraw/zinc/59/16/34/457591634.db2.gz	OGKDBGTUKWFGLP-UKTHLTGXSA-N	0	1	342.445	3.196	40	10		EGCBMN
Cc1ccc(N2NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1C	ZINC000033412836	453914951	/nfs/dbraw/zinc/91/49/51/453914951.db2.gz	RJBYFTIAWIQRAR-MHWRWJLKSA-N	0	1	326.783	3.418	40	10		EGCBMN
CC[C@H]([NH2+]CCc1nc(C)no1)c1cc(Br)ccc1[O-]	ZINC000156480593	455123923	/nfs/dbraw/zinc/12/39/23/455123923.db2.gz	CMGFVJVUZXXDDZ-LBPRGKRZSA-N	0	1	340.221	3.130	40	10		EGCBMN
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)o1	ZINC000409242871	257873781	/nfs/dbraw/zinc/87/37/81/257873781.db2.gz	PKLUSTBSXASMHM-NTEUORMPSA-N	0	1	340.404	3.036	40	10		EGCBMN
Cc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c(C)c1	ZINC000409128743	457594402	/nfs/dbraw/zinc/59/44/02/457594402.db2.gz	GQEVJRRFUHONHV-MDWZMJQESA-N	0	1	342.445	3.196	40	10		EGCBMN
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)NC3=O)cc21	ZINC000208244440	241067513	/nfs/dbraw/zinc/06/75/13/241067513.db2.gz	HXTOKHSCQIBPIJ-UWZPUTRXSA-N	0	1	333.819	3.242	40	10		EGCBMN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2[nH]nnc2c1	ZINC000016498505	453610502	/nfs/dbraw/zinc/61/05/02/453610502.db2.gz	DLOZOGKIMJNQIB-UHFFFAOYSA-N	0	1	349.438	3.220	40	10		EGCBMN
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1	ZINC000409250078	457597735	/nfs/dbraw/zinc/59/77/35/457597735.db2.gz	MHNHCVOTGBLZBL-UKTHLTGXSA-N	0	1	342.445	3.196	40	10		EGCBMN
Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000216931368	241225026	/nfs/dbraw/zinc/22/50/26/241225026.db2.gz	RYXIMVSBXZOHLK-FMIVXFBMSA-N	0	1	349.478	3.076	40	10		EGCBMN
Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c(C)c1	ZINC000409137786	457595027	/nfs/dbraw/zinc/59/50/27/457595027.db2.gz	YTOVAAOUDXFVLM-UKTHLTGXSA-N	0	1	342.445	3.196	40	10		EGCBMN
COc1ccc(-c2cnc(NCc3ccc(O)c(O)c3)n2C)cc1	ZINC000199412873	1296088269	/nfs/dbraw/zinc/08/82/69/1296088269.db2.gz	AQQQDGLWSMMOFH-UHFFFAOYSA-N	0	1	325.368	3.119	40	10		EGCBMN
CC(C)Cc1cc(CC2(NCc3ccc(N(C)C)cc3)COC2)no1	ZINC000067898214	215244781	/nfs/dbraw/zinc/24/47/81/215244781.db2.gz	UTNASQLLQFWNKD-UHFFFAOYSA-N	0	1	343.471	3.040	40	10	biogenic,in-vitro	EGCBMN
CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)ccc1[O-]	ZINC000156202716	455092576	/nfs/dbraw/zinc/09/25/76/455092576.db2.gz	ZNHCISIFMADZLR-OCCSQVGLSA-N	0	1	346.290	3.063	40	10		EGCBMN
Cc1cccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1C	ZINC000409138382	457594774	/nfs/dbraw/zinc/59/47/74/457594774.db2.gz	AWVRMOZRQNOTNU-UKTHLTGXSA-N	0	1	342.445	3.196	40	10		EGCBMN
Cc1ccc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1	ZINC000000468985	292040148	/nfs/dbraw/zinc/04/01/48/292040148.db2.gz	KRXPJHPVRXKBTH-DHDCSXOGSA-N	0	1	340.404	3.036	40	10		EGCBMN
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cc(Cl)ccc1C	ZINC000408812184	457589129	/nfs/dbraw/zinc/58/91/29/457589129.db2.gz	CJPNHRIUXBWMJC-AUWJEWJLSA-N	0	1	329.787	3.236	40	10		EGCBMN
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccoc2)C(=O)NC1=S	ZINC000409070485	457591880	/nfs/dbraw/zinc/59/18/80/457591880.db2.gz	YKPXDCNBDMWIGA-YRNVUSSQSA-N	0	1	346.795	3.073	40	10		EGCBMN
Oc1cc2c(cc1CN1CCN(Cc3cccs3)CC1)CCC2	ZINC000022019079	212270802	/nfs/dbraw/zinc/27/08/02/212270802.db2.gz	ORJAJXNDAMAPCU-UHFFFAOYSA-N	0	1	328.481	3.260	40	10		EGCBMN
CC(C)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	ZINC000408600914	257894657	/nfs/dbraw/zinc/89/46/57/257894657.db2.gz	HBKSFBLPJOABEJ-PDGQHHTCSA-N	0	1	336.391	3.183	40	10		EGCBMN
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1	ZINC000100148950	219092459	/nfs/dbraw/zinc/09/24/59/219092459.db2.gz	TXWKQGYAZQJCPO-MHWRWJLKSA-N	0	1	340.314	3.452	40	10		EGCBMN
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1	ZINC000100148950	219092462	/nfs/dbraw/zinc/09/24/62/219092462.db2.gz	TXWKQGYAZQJCPO-MHWRWJLKSA-N	0	1	340.314	3.452	40	10		EGCBMN
COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	ZINC000033323988	277868392	/nfs/dbraw/zinc/86/83/92/277868392.db2.gz	IKKQHDRQBXWMCL-PTNGSMBKSA-N	0	1	338.388	3.367	40	10		EGCBMN
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1C	ZINC000000453373	452596801	/nfs/dbraw/zinc/59/68/01/452596801.db2.gz	MBIXXZHUJVLWHK-RIYZIHGNSA-N	0	1	329.787	3.236	40	10		EGCBMN
COc1ccc(N2CCN(C[C@@H](O)c3cc(C)sc3C)CC2)cc1	ZINC000019567885	453657246	/nfs/dbraw/zinc/65/72/46/453657246.db2.gz	MNOCVOFEVNYYQM-LJQANCHMSA-N	0	1	346.496	3.229	40	10		EGCBMN
CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000083260026	453947389	/nfs/dbraw/zinc/94/73/89/453947389.db2.gz	YSDXCGJQQFJOED-MHWRWJLKSA-N	0	1	338.363	3.065	40	10		EGCBMN
Cc1ccc(N2NC(=O)/C(=C\c3ccccc3Cl)C2=O)cc1C	ZINC000059475167	454259869	/nfs/dbraw/zinc/25/98/69/454259869.db2.gz	PCUOHSXBKMWVQN-XNTDXEJSSA-N	0	1	326.783	3.418	40	10		EGCBMN
CC(C)N1c2ccc(/C=C3/NC(=O)NC3=O)cc2[C@H](C)CC1(C)C	ZINC000260564917	455899114	/nfs/dbraw/zinc/89/91/14/455899114.db2.gz	FVKYZDUBQYYQMU-KMHUVPDISA-N	0	1	327.428	3.368	40	10		EGCBMN
Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000083314195	217542324	/nfs/dbraw/zinc/54/23/24/217542324.db2.gz	WAIFMBMUCOLJHE-OQLLNIDSSA-N	0	1	349.346	3.274	40	10		EGCBMN
COc1ccc(N2CCN(C[C@H](O)c3cc(C)sc3C)CC2)cc1	ZINC000019567888	453657654	/nfs/dbraw/zinc/65/76/54/453657654.db2.gz	MNOCVOFEVNYYQM-IBGZPJMESA-N	0	1	346.496	3.229	40	10		EGCBMN