smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C1)CCCC2	ZINC000408416762	844195320	/nfs/dbraw/zinc/19/53/20/844195320.db2.gz	VTAZYAPHYXXRLA-ZDUSSCGKSA-N	-1	1	377.847	3.656	10	0		GHAEMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)cc1	ZINC000004249141	204034952	/nfs/dbraw/zinc/03/49/52/204034952.db2.gz	PZUHUVJQGSQQOE-UHFFFAOYSA-N	-1	1	399.497	3.659	10	0		GHAEMM
Cc1nc(-c2ccc(NCc3cccc(-c4cnn(C)c4)c3)nc2)[n-]c(=O)c1C	ZINC000301879140	865583818	/nfs/dbraw/zinc/58/38/18/865583818.db2.gz	LHTXSXUVHCRTNZ-UHFFFAOYSA-N	-1	1	386.459	3.874	10	0		GHAEMM
CCCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])cc1	ZINC000039952274	205044053	/nfs/dbraw/zinc/04/40/53/205044053.db2.gz	VWHWBCJJYKHESJ-SFHVURJKSA-N	-1	1	376.497	3.996	10	0		GHAEMM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H]2CCC[C@@H]21	ZINC000330302239	843610039	/nfs/dbraw/zinc/61/00/39/843610039.db2.gz	JKMSGZYJCBSICL-KUHUBIRLSA-N	-1	1	388.464	3.641	10	0		GHAEMM
O=C(c1ccc2ccccc2c1[O-])N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000113491054	857946267	/nfs/dbraw/zinc/94/62/67/857946267.db2.gz	BYNFVUAMGQQFFH-UHFFFAOYSA-N	-1	1	380.488	3.800	10	0		GHAEMM
Cc1cccnc1/C=C\C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000588454793	843340137	/nfs/dbraw/zinc/34/01/37/843340137.db2.gz	TZUBSXXVJWFCFI-SEYXRHQNSA-N	-1	1	393.468	3.843	10	0		GHAEMM
CC1(C)CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000102919133	860903030	/nfs/dbraw/zinc/90/30/30/860903030.db2.gz	ZSKLODDQMZYPIZ-UHFFFAOYSA-N	-1	1	376.453	3.641	10	0		GHAEMM
O=C(Nc1ccccc1F)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000004880190	204085250	/nfs/dbraw/zinc/08/52/50/204085250.db2.gz	QQYRECWVILUWTC-QGZVFWFLSA-N	-1	1	390.461	3.546	10	0		GHAEMM
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c(C=O)c(CO)cc1[O-])O2	ZINC000006031121	204161517	/nfs/dbraw/zinc/16/15/17/204161517.db2.gz	QKXGRPHIBLICSC-QJAXDWLUSA-N	-1	1	388.504	3.604	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@@H]43)c2)cc1	ZINC000330321146	843677933	/nfs/dbraw/zinc/67/79/33/843677933.db2.gz	SCEZQTLGCJNBNX-UZLBHIALSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1nc(-c2ccc(NCc3ncc(-c4ccccc4)cn3)nc2)[n-]c(=O)c1C	ZINC000185993617	883601854	/nfs/dbraw/zinc/60/18/54/883601854.db2.gz	YSWVELXLYKIFJD-UHFFFAOYSA-N	-1	1	384.443	3.518	10	0		GHAEMM
CCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)n[nH]1	ZINC000102784954	884452295	/nfs/dbraw/zinc/45/22/95/884452295.db2.gz	FWTVIWIMQMZWID-UHFFFAOYSA-N	-1	1	398.488	3.642	10	0		GHAEMM
O=C(NC1CCCCC1)c1ccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])s1	ZINC000019636529	204666020	/nfs/dbraw/zinc/66/60/20/204666020.db2.gz	XHOQKZLAZVHTRZ-HNNXBMFYSA-N	-1	1	399.516	3.889	10	0		GHAEMM
CCCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1C(=O)[O-]	ZINC000039952727	205044421	/nfs/dbraw/zinc/04/44/21/205044421.db2.gz	ORGMCASVSQTZHI-KRWDZBQOSA-N	-1	1	376.497	3.996	10	0		GHAEMM
O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)Nc1ccccc1	ZINC000102437202	882969301	/nfs/dbraw/zinc/96/93/01/882969301.db2.gz	VYSHPLLVQNWNIY-UHFFFAOYSA-N	-1	1	381.457	3.809	10	0		GHAEMM
O=C(c1cccs1)N1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1	ZINC000112394623	886261611	/nfs/dbraw/zinc/26/16/11/886261611.db2.gz	MRQDDCJSGATHFA-UHFFFAOYSA-N	-1	1	380.469	3.595	10	0		GHAEMM
CC(C)Oc1cccc(C=CC(=O)N2CCC[C@@H](c3n[n-]c(=S)n3C)C2)c1	ZINC000097569909	883093750	/nfs/dbraw/zinc/09/37/50/883093750.db2.gz	VQIBIQWEQSPUIA-ZNFPLGDCSA-N	-1	1	386.521	3.684	10	0		GHAEMM
CCOc1cc(C(=O)NC2CCN(c3cccs3)CC2)cc(Cl)c1[O-]	ZINC000186859915	883723515	/nfs/dbraw/zinc/72/35/15/883723515.db2.gz	IVSPUVZXYPYPQJ-UHFFFAOYSA-N	-1	1	380.897	3.905	10	0		GHAEMM
Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c([O-])c1	ZINC000129554436	887318845	/nfs/dbraw/zinc/31/88/45/887318845.db2.gz	QANAGGJGMAKUDL-JOCHJYFZSA-N	-1	1	395.459	3.903	10	0		GHAEMM
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1	ZINC000195130224	888647920	/nfs/dbraw/zinc/64/79/20/888647920.db2.gz	XJHZXUJEPLWXMX-LBPRGKRZSA-N	-1	1	398.419	3.801	10	0		GHAEMM
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1	ZINC000195130224	888647927	/nfs/dbraw/zinc/64/79/27/888647927.db2.gz	XJHZXUJEPLWXMX-LBPRGKRZSA-N	-1	1	398.419	3.801	10	0		GHAEMM
C[C@@H](Sc1nc2c(c(=O)[n-]1)CCC2)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000005238037	204120679	/nfs/dbraw/zinc/12/06/79/204120679.db2.gz	OPVIHEWFIJAMGI-MRVPVSSYSA-N	-1	1	384.288	3.685	10	0		GHAEMM
CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(C(=O)[O-])c1	ZINC000039952750	205043734	/nfs/dbraw/zinc/04/37/34/205043734.db2.gz	YFTCBNLXICTEAL-SFHVURJKSA-N	-1	1	376.497	3.852	10	0		GHAEMM
Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C1)CCCC2	ZINC000408416761	844195177	/nfs/dbraw/zinc/19/51/77/844195177.db2.gz	VTAZYAPHYXXRLA-CYBMUJFWSA-N	-1	1	377.847	3.656	10	0		GHAEMM
Cn1c(Cc2csc(NC(=O)[C@@]3(C)CCCc4ccccc43)n2)n[n-]c1=S	ZINC000103187770	871422277	/nfs/dbraw/zinc/42/22/77/871422277.db2.gz	HJAIGDGHEKNDAA-IBGZPJMESA-N	-1	1	399.545	3.758	10	0		GHAEMM
Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3cccc(Cl)c3)c(=O)c12	ZINC000007424024	204241243	/nfs/dbraw/zinc/24/12/43/204241243.db2.gz	ASFXWABEYWJVQR-UHFFFAOYSA-N	-1	1	378.819	3.928	10	0		GHAEMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@H]43)c2)c1	ZINC000330227280	840242780	/nfs/dbraw/zinc/24/27/80/840242780.db2.gz	BXIFUBBWGCLJIK-OXJNMPFZSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@H]43)c2)cc1	ZINC000330321145	843677765	/nfs/dbraw/zinc/67/77/65/843677765.db2.gz	SCEZQTLGCJNBNX-OXQOHEQNSA-N	-1	1	384.501	3.810	10	0		GHAEMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)c1	ZINC000102748592	884401309	/nfs/dbraw/zinc/40/13/09/884401309.db2.gz	QRBBNXIXOIZXNW-UHFFFAOYSA-N	-1	1	378.208	3.720	10	0		GHAEMM
O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(-c2ncon2)c1	ZINC000171308901	882099152	/nfs/dbraw/zinc/09/91/52/882099152.db2.gz	PLDJEJBLIRYUOT-UHFFFAOYSA-N	-1	1	398.473	3.748	10	0		GHAEMM
CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1	ZINC000102319804	872899142	/nfs/dbraw/zinc/89/91/42/872899142.db2.gz	PIBKDRDLUQNVHH-UHFFFAOYSA-N	-1	1	384.461	3.566	10	0		GHAEMM
CCOc1ccc(CNC(=O)Cn2c(-c3cccs3)n[n-]c2=S)cc1F	ZINC000106033698	875711325	/nfs/dbraw/zinc/71/13/25/875711325.db2.gz	JWTYONLEFJQCFD-UHFFFAOYSA-N	-1	1	392.481	3.523	10	0		GHAEMM
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nc(-c2ccccc2F)n[n-]1	ZINC000195130237	888647980	/nfs/dbraw/zinc/64/79/80/888647980.db2.gz	XJHZXUJEPLWXMX-GFCCVEGCSA-N	-1	1	398.419	3.801	10	0		GHAEMM
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1n[n-]c(-c2ccccc2F)n1	ZINC000195130237	888647983	/nfs/dbraw/zinc/64/79/83/888647983.db2.gz	XJHZXUJEPLWXMX-GFCCVEGCSA-N	-1	1	398.419	3.801	10	0		GHAEMM
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nc(Cc2ccccc2)n[n-]1	ZINC000195286423	888675835	/nfs/dbraw/zinc/67/58/35/888675835.db2.gz	OUUGMCWYDHMUBM-CQSZACIVSA-N	-1	1	394.456	3.585	10	0		GHAEMM
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nnc(Cc2ccccc2)[n-]1	ZINC000195286423	888675844	/nfs/dbraw/zinc/67/58/44/888675844.db2.gz	OUUGMCWYDHMUBM-CQSZACIVSA-N	-1	1	394.456	3.585	10	0		GHAEMM
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1n[n-]c(Cc2ccccc2)n1	ZINC000195286423	888675853	/nfs/dbraw/zinc/67/58/53/888675853.db2.gz	OUUGMCWYDHMUBM-CQSZACIVSA-N	-1	1	394.456	3.585	10	0		GHAEMM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]2CCC[C@@H]21	ZINC000330302241	843610486	/nfs/dbraw/zinc/61/04/86/843610486.db2.gz	JKMSGZYJCBSICL-LIRRHRJNSA-N	-1	1	388.464	3.641	10	0		GHAEMM
CSc1nc(C)c(CCC(=O)N2C[C@H](c3cccs3)C[C@@H]2C)c(=O)[n-]1	ZINC000371007512	857052682	/nfs/dbraw/zinc/05/26/82/857052682.db2.gz	KVEXDVCOOGALRW-WCQYABFASA-N	-1	1	377.535	3.611	10	0		GHAEMM
CCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@H](COC)c3ccccn3)cc2)n1	ZINC000023428781	837073147	/nfs/dbraw/zinc/07/31/47/837073147.db2.gz	SBKIVOLPUNTTJC-OAQYLSRUSA-N	-1	1	392.503	3.604	10	0		GHAEMM
Cc1nc(-c2ccc(NCc3nnc(-c4ccccc4)s3)nc2)[n-]c(=O)c1C	ZINC000301613848	865456292	/nfs/dbraw/zinc/45/62/92/865456292.db2.gz	AHNOYHWAHOPLJO-UHFFFAOYSA-N	-1	1	390.472	3.992	10	0		GHAEMM
CCc1cc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)nc(C)n1	ZINC000588457057	843372170	/nfs/dbraw/zinc/37/21/70/843372170.db2.gz	CJUSRHJYKDWFBY-FPLPWBNLSA-N	-1	1	382.283	3.523	10	0		GHAEMM
Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C1)CCCC2	ZINC000279825579	843408021	/nfs/dbraw/zinc/40/80/21/843408021.db2.gz	QSOFWHOOGUWDTO-CYBMUJFWSA-N	-1	1	377.847	3.656	10	0		GHAEMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(-c3ncon3)c2)cc1	ZINC000170632420	882043767	/nfs/dbraw/zinc/04/37/67/882043767.db2.gz	ZFWRHHILPACDKP-UHFFFAOYSA-N	-1	1	392.444	3.605	10	0		GHAEMM
Cc1cccc2[nH]cc(CCNC(=O)Cn3c(=S)[n-]nc3-c3cccs3)c21	ZINC000103128816	871352958	/nfs/dbraw/zinc/35/29/58/871352958.db2.gz	ATWWFHKNVYRGHX-UHFFFAOYSA-N	-1	1	397.529	3.818	10	0		GHAEMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(C)ccn3)c2)cc1	ZINC000004618393	204058197	/nfs/dbraw/zinc/05/81/97/204058197.db2.gz	KQIRRLSFUGSOQL-UHFFFAOYSA-N	-1	1	381.457	3.752	10	0		GHAEMM
Cc1nc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cc(C2CC2)n1	ZINC000588514647	846934638	/nfs/dbraw/zinc/93/46/38/846934638.db2.gz	GSVZMHYORMQJTQ-HJWRWDBZSA-N	-1	1	394.294	3.838	10	0		GHAEMM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4ncon4)c3)cc2)co1	ZINC000172204816	882187265	/nfs/dbraw/zinc/18/72/65/882187265.db2.gz	CYMMLQNYNDQFQZ-UHFFFAOYSA-N	-1	1	382.401	3.501	10	0		GHAEMM
O=S(=O)([N-]c1cccc(-c2ncon2)c1)c1ccc(CC(F)(F)F)cc1	ZINC000189279719	883926337	/nfs/dbraw/zinc/92/63/37/883926337.db2.gz	OZFADQXOMAYMHP-UHFFFAOYSA-N	-1	1	383.351	3.642	10	0		GHAEMM
Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c([O-])c1	ZINC000129256922	887274724	/nfs/dbraw/zinc/27/47/24/887274724.db2.gz	WZMTZXGAOHFMLQ-INIZCTEOSA-N	-1	1	391.427	3.571	10	0		GHAEMM
O=C(Nc1ccccc1F)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1	ZINC000004880189	204085999	/nfs/dbraw/zinc/08/59/99/204085999.db2.gz	QQYRECWVILUWTC-KRWDZBQOSA-N	-1	1	390.461	3.546	10	0		GHAEMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1	ZINC000330297375	843564773	/nfs/dbraw/zinc/56/47/73/843564773.db2.gz	GVNYGJZSSOITGZ-OXJNMPFZSA-N	-1	1	384.501	3.810	10	0		GHAEMM
O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2N1	ZINC000007003351	204230466	/nfs/dbraw/zinc/23/04/66/204230466.db2.gz	NBYQQGYFTHYTPI-UHFFFAOYSA-N	-1	1	386.857	3.714	10	0		GHAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000130177217	859563036	/nfs/dbraw/zinc/56/30/36/859563036.db2.gz	IGLIDADCKWXBFK-MRXNPFEDSA-N	-1	1	395.503	3.942	10	0		GHAEMM
CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)c1	ZINC000102889657	860885327	/nfs/dbraw/zinc/88/53/27/860885327.db2.gz	YYVPRAGIUFJKQF-UHFFFAOYSA-N	-1	1	377.164	3.502	10	0		GHAEMM
COCCOc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1Cl	ZINC000102320050	872898596	/nfs/dbraw/zinc/89/85/96/872898596.db2.gz	WMOPZWGUOXMUPC-UHFFFAOYSA-N	-1	1	392.864	3.714	10	0		GHAEMM
Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000102319925	872899364	/nfs/dbraw/zinc/89/93/64/872899364.db2.gz	ZLBMRVIDFYZONA-UHFFFAOYSA-N	-1	1	383.473	3.939	10	0		GHAEMM
CCOc1cc(C(=O)N2CCC(Nc3nccs3)CC2)cc(Cl)c1[O-]	ZINC000190417913	884079198	/nfs/dbraw/zinc/07/91/98/884079198.db2.gz	QGKZRWKDIWZHGV-UHFFFAOYSA-N	-1	1	381.885	3.618	10	0		GHAEMM
CCOC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000064611572	136157209	/nfs/dbraw/zinc/15/72/09/136157209.db2.gz	DWEFNUQXNYNCRO-HNNXBMFYSA-N	-1	1	397.500	3.740	10	0		GHAEMM
Cc1nc(-c2ccc(N3CCC(c4noc(C5CC5)n4)CC3)nc2)[n-]c(=O)c1C	ZINC000302164100	865743049	/nfs/dbraw/zinc/74/30/49/865743049.db2.gz	IMRUMSVJSGEGIJ-UHFFFAOYSA-N	-1	1	392.463	3.505	10	0		GHAEMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(-c3ncon3)c2)c1	ZINC000170632400	882042951	/nfs/dbraw/zinc/04/29/51/882042951.db2.gz	DPPDZXVWVILHLE-UHFFFAOYSA-N	-1	1	392.444	3.605	10	0		GHAEMM
Cc1csc(C2CCN(C(=O)c3ccc(Br)cc3[O-])CC2)n1	ZINC000171274736	882093027	/nfs/dbraw/zinc/09/30/27/882093027.db2.gz	XLVWAIUHKMEEQS-UHFFFAOYSA-N	-1	1	381.295	3.939	10	0		GHAEMM
Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000102320124	872933227	/nfs/dbraw/zinc/93/32/27/872933227.db2.gz	GONQMYCWHZOGCI-UHFFFAOYSA-N	-1	1	392.440	3.926	10	0		GHAEMM
Cc1c([N-]S(=O)(=O)c2cccc3ncccc32)cccc1C(=O)N1CCCC1	ZINC000102320200	872932877	/nfs/dbraw/zinc/93/28/77/872932877.db2.gz	SQRPFAYMYWMYBD-UHFFFAOYSA-N	-1	1	395.484	3.580	10	0		GHAEMM
O=C([O-])CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1	ZINC000701286696	977000828	/nfs/dbraw/zinc/00/08/28/977000828.db2.gz	UHRPSDZMZRUBOE-UHFFFAOYSA-N	-1	1	381.259	3.909	10	0		GHAEMM
O=C([O-])CCN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1	ZINC000701286696	977000835	/nfs/dbraw/zinc/00/08/35/977000835.db2.gz	UHRPSDZMZRUBOE-UHFFFAOYSA-N	-1	1	381.259	3.909	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)cc2)cc1	ZINC000330336544	843726540	/nfs/dbraw/zinc/72/65/40/843726540.db2.gz	ZNTOZOVWABZHFD-JXFKEZNVSA-N	-1	1	384.501	3.810	10	0		GHAEMM
COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2noc(C)n2)c2ccccc2F)cc1	ZINC000151961723	846071255	/nfs/dbraw/zinc/07/12/55/846071255.db2.gz	XTYXUFKRXQLAPJ-MRXNPFEDSA-N	-1	1	391.349	3.523	10	0		GHAEMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@H]43)c2)c1	ZINC000330227281	840242575	/nfs/dbraw/zinc/24/25/75/840242575.db2.gz	BXIFUBBWGCLJIK-OXQOHEQNSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1c(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)nc2ncccn12	ZINC000004033238	570727757	/nfs/dbraw/zinc/72/77/57/570727757.db2.gz	MVAKDYDGVXTQCX-UHFFFAOYSA-N	-1	1	378.457	3.814	10	0		GHAEMM
CC1(C)CCCN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000102960050	898056295	/nfs/dbraw/zinc/05/62/95/898056295.db2.gz	UQLPGMMTLRWUKD-UHFFFAOYSA-N	-1	1	387.505	3.571	10	0		GHAEMM
O=C(c1cccs1)N1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1	ZINC000112394622	886261262	/nfs/dbraw/zinc/26/12/62/886261262.db2.gz	QOQZTHVRPPNCPF-UHFFFAOYSA-N	-1	1	380.469	3.595	10	0		GHAEMM
Cc1nc(-c2ccc(N3CCC(COc4ccccn4)CC3)nc2)[n-]c(=O)c1C	ZINC000301594299	865444035	/nfs/dbraw/zinc/44/40/35/865444035.db2.gz	ZJBOLBSNYYBZFN-UHFFFAOYSA-N	-1	1	391.475	3.551	10	0		GHAEMM
Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1	ZINC000038033808	207259660	/nfs/dbraw/zinc/25/96/60/207259660.db2.gz	HVNXDHVZIUQNJA-UHFFFAOYSA-N	-1	1	397.628	3.764	10	0		GHAEMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H]2CCC[C@H]21	ZINC000330297323	843563930	/nfs/dbraw/zinc/56/39/30/843563930.db2.gz	GULOIIGWYANLPX-AUUYWEPGSA-N	-1	1	388.464	3.641	10	0		GHAEMM
Cc1cc(=O)[nH]c(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2)n1	ZINC000102841775	884508634	/nfs/dbraw/zinc/50/86/34/884508634.db2.gz	ZANZVMBEROPVJZ-UHFFFAOYSA-N	-1	1	389.864	3.508	10	0		GHAEMM
Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000068428565	891178654	/nfs/dbraw/zinc/17/86/54/891178654.db2.gz	ZDXVXGCLDHZIGF-UONOGXRCSA-N	-1	1	376.913	3.641	10	0		GHAEMM
O=C(Cc1cc(=O)[n-]c(SCc2ccccc2)n1)NCc1cccc(Cl)c1	ZINC000064567235	570600893	/nfs/dbraw/zinc/60/08/93/570600893.db2.gz	DYFNRJXMFQSETO-UHFFFAOYSA-N	-1	1	399.903	3.987	10	0		GHAEMM
COc1ccc(C(F)(F)C(=O)[N-][C@H](c2noc(C)n2)c2ccccc2F)cc1	ZINC000151961801	846070974	/nfs/dbraw/zinc/07/09/74/846070974.db2.gz	XTYXUFKRXQLAPJ-INIZCTEOSA-N	-1	1	391.349	3.523	10	0		GHAEMM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21	ZINC000253558931	891881401	/nfs/dbraw/zinc/88/14/01/891881401.db2.gz	PKKPMQLVKAYLPN-POZUXBRTSA-N	-1	1	380.492	3.522	10	0		GHAEMM
CN1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)[O-])C1	ZINC000020335458	207189101	/nfs/dbraw/zinc/18/91/01/207189101.db2.gz	LKHNLLDWJZXKIH-QPJJXVBHSA-N	-1	1	376.865	3.740	10	0		GHAEMM
Cc1cccnc1/C=C\C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000588454867	843348649	/nfs/dbraw/zinc/34/86/49/843348649.db2.gz	QUQBKNNHHBAORB-YPKPFQOOSA-N	-1	1	393.468	3.843	10	0		GHAEMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1	ZINC000330297376	843568847	/nfs/dbraw/zinc/56/88/47/843568847.db2.gz	GVNYGJZSSOITGZ-OXQOHEQNSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@@H](c3nccs3)C2)c1	ZINC000171642397	882119719	/nfs/dbraw/zinc/11/97/19/882119719.db2.gz	VZKVOPOCSNJRMX-OAHLLOKOSA-N	-1	1	399.545	3.779	10	0		GHAEMM
Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000102319930	872898847	/nfs/dbraw/zinc/89/88/47/872898847.db2.gz	DIFBGEQYOUDSEP-UHFFFAOYSA-N	-1	1	381.457	3.693	10	0		GHAEMM
O=C(c1c([O-])cnc2ccccc21)N1CCC([C@@H](O)c2ccc(F)cc2)CC1	ZINC000176585495	882715545	/nfs/dbraw/zinc/71/55/45/882715545.db2.gz	HPGHNVDPFZTBBV-NRFANRHFSA-N	-1	1	380.419	3.665	10	0		GHAEMM
Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1	ZINC000068428561	891178815	/nfs/dbraw/zinc/17/88/15/891178815.db2.gz	ZDXVXGCLDHZIGF-KGLIPLIRSA-N	-1	1	376.913	3.641	10	0		GHAEMM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)n2Cc2ccccc2)cc1	ZINC000299754755	209081976	/nfs/dbraw/zinc/08/19/76/209081976.db2.gz	OMSUZAJXALTKDO-UHFFFAOYSA-N	-1	1	383.473	3.604	10	0		GHAEMM
O=C(c1c([O-])cnc2ccccc21)N1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000182083227	883203649	/nfs/dbraw/zinc/20/36/49/883203649.db2.gz	QUYGFJZUBVMRQC-UHFFFAOYSA-N	-1	1	390.365	3.633	10	0		GHAEMM
COc1cc([C@@H]2CC(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O2)c(O)cc1O	ZINC000014648223	570907859	/nfs/dbraw/zinc/90/78/59/570907859.db2.gz	IPQQRODECSTJDH-SFHVURJKSA-N	-1	1	386.400	3.733	10	0	biogenic	GHAEMM
O=C1CCCCN1Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000102320176	872932940	/nfs/dbraw/zinc/93/29/40/872932940.db2.gz	SUMKGTJZKUXBRV-UHFFFAOYSA-N	-1	1	395.484	3.548	10	0		GHAEMM
C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1c(=S)[n-]nc1-c1cccs1	ZINC000176595048	882717626	/nfs/dbraw/zinc/71/76/26/882717626.db2.gz	DQOTZEPQEIRTMA-CYBMUJFWSA-N	-1	1	399.545	3.536	10	0		GHAEMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCC[C@H](c3nccs3)C2)c1	ZINC000171642394	882119865	/nfs/dbraw/zinc/11/98/65/882119865.db2.gz	VZKVOPOCSNJRMX-HNNXBMFYSA-N	-1	1	399.545	3.779	10	0		GHAEMM
COc1ccccc1COC1CCN(C(=O)c2c([O-])cnc3ccccc32)CC1	ZINC000180866050	883105205	/nfs/dbraw/zinc/10/52/05/883105205.db2.gz	MYQALUJYCUZNAI-UHFFFAOYSA-N	-1	1	392.455	3.770	10	0		GHAEMM
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21	ZINC000006779494	570586519	/nfs/dbraw/zinc/58/65/19/570586519.db2.gz	VQHIRZQTZBABQG-AWEZNQCLSA-N	-1	1	390.530	3.951	10	0		GHAEMM
COCCOc1cc2ncnc(Nc3cc([O-])c(Cl)cc3F)c2cc1OC	ZINC000001895146	581100737	/nfs/dbraw/zinc/10/07/37/581100737.db2.gz	UCSSQROSBFPVKH-UHFFFAOYSA-N	-1	1	393.802	3.905	10	0		GHAEMM
Cn1c(Cc2csc(NC(=O)[C@]3(C)CCCc4ccccc43)n2)n[n-]c1=S	ZINC000103187772	871423542	/nfs/dbraw/zinc/42/35/42/871423542.db2.gz	HJAIGDGHEKNDAA-LJQANCHMSA-N	-1	1	399.545	3.758	10	0		GHAEMM
Cn1c(C2CCN(C(=O)C=Cc3cccc(C(F)(F)F)c3)CC2)n[n-]c1=S	ZINC000068427183	891178296	/nfs/dbraw/zinc/17/82/96/891178296.db2.gz	DHRJAIAIYUDJTO-AATRIKPKSA-N	-1	1	396.438	3.916	10	0		GHAEMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@@H]43)c2)c1	ZINC000330227282	840242335	/nfs/dbraw/zinc/24/23/35/840242335.db2.gz	BXIFUBBWGCLJIK-UZLBHIALSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000102320174	872932861	/nfs/dbraw/zinc/93/28/61/872932861.db2.gz	FHUQCUGPWOJNDO-UHFFFAOYSA-N	-1	1	397.500	3.730	10	0		GHAEMM
Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000068428568	891178674	/nfs/dbraw/zinc/17/86/74/891178674.db2.gz	ZDXVXGCLDHZIGF-KBPBESRZSA-N	-1	1	376.913	3.641	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H]4CCC[C@@H]43)cc2)cc1	ZINC000330336547	843727413	/nfs/dbraw/zinc/72/74/13/843727413.db2.gz	ZNTOZOVWABZHFD-UZLBHIALSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1cc(=O)[nH]c(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)n1	ZINC000102841769	860879162	/nfs/dbraw/zinc/87/91/62/860879162.db2.gz	UMXCUFOXCIJVLU-UHFFFAOYSA-N	-1	1	389.864	3.508	10	0		GHAEMM
CCCOC(=O)c1cc(-c2ccc(/C=C3\NC(=S)[N-]C3=O)o2)ccc1Cl	ZINC000005431088	570662518	/nfs/dbraw/zinc/66/25/18/570662518.db2.gz	ROQWMUVYMUOSQS-ZROIWOOFSA-N	-1	1	390.848	3.512	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@H]43)c2)cc1	ZINC000330321143	843677383	/nfs/dbraw/zinc/67/73/83/843677383.db2.gz	SCEZQTLGCJNBNX-OXJNMPFZSA-N	-1	1	384.501	3.810	10	0		GHAEMM
O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1cccc2ncccc21	ZINC000102319868	872898531	/nfs/dbraw/zinc/89/85/31/872898531.db2.gz	KXGHWILYRRBSFE-UHFFFAOYSA-N	-1	1	378.413	3.618	10	0		GHAEMM
Cc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1	ZINC000006818504	570620405	/nfs/dbraw/zinc/62/04/05/570620405.db2.gz	UAEVSNBAZGSUCX-SFHVURJKSA-N	-1	1	386.498	3.715	10	0		GHAEMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H]2CCC[C@H]21	ZINC000330297324	843563903	/nfs/dbraw/zinc/56/39/03/843563903.db2.gz	GULOIIGWYANLPX-IFXJQAMLSA-N	-1	1	388.464	3.641	10	0		GHAEMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H]2CCC[C@@H]21	ZINC000330297325	843564307	/nfs/dbraw/zinc/56/43/07/843564307.db2.gz	GULOIIGWYANLPX-KUHUBIRLSA-N	-1	1	388.464	3.641	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@H]4CCC[C@H]43)cc2)cc1	ZINC000330336546	843727140	/nfs/dbraw/zinc/72/71/40/843727140.db2.gz	ZNTOZOVWABZHFD-OXQOHEQNSA-N	-1	1	384.501	3.810	10	0		GHAEMM
CSc1nc(C)c(CCC(=O)N2C[C@H](c3cccs3)C[C@H]2C)c(=O)[n-]1	ZINC000371007510	857051655	/nfs/dbraw/zinc/05/16/55/857051655.db2.gz	KVEXDVCOOGALRW-DGCLKSJQSA-N	-1	1	377.535	3.611	10	0		GHAEMM
CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1	ZINC000015730475	210164945	/nfs/dbraw/zinc/16/49/45/210164945.db2.gz	GMNFNRVEMMQQHC-LBPRGKRZSA-N	-1	1	376.503	3.873	10	0		GHAEMM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@H]2CCC[C@H]21	ZINC000330302236	843610501	/nfs/dbraw/zinc/61/05/01/843610501.db2.gz	JKMSGZYJCBSICL-AUUYWEPGSA-N	-1	1	388.464	3.641	10	0		GHAEMM
Cn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1	ZINC000068428554	891178779	/nfs/dbraw/zinc/17/87/79/891178779.db2.gz	ZDXVXGCLDHZIGF-ZIAGYGMSSA-N	-1	1	376.913	3.641	10	0		GHAEMM
C[C@H](NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1ncc(C(=O)[O-])s1	ZINC000697004291	976831648	/nfs/dbraw/zinc/83/16/48/976831648.db2.gz	KJWWSKKDJFFALY-LBPRGKRZSA-N	-1	1	383.514	3.720	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)cc1	ZINC000330321141	843678031	/nfs/dbraw/zinc/67/80/31/843678031.db2.gz	SCEZQTLGCJNBNX-JXFKEZNVSA-N	-1	1	384.501	3.810	10	0		GHAEMM
O=C(Nc1ccc([O-])c(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1	ZINC000182868039	883246452	/nfs/dbraw/zinc/24/64/52/883246452.db2.gz	ASSBSCDNSAORKA-UHFFFAOYSA-N	-1	1	376.815	3.676	10	0		GHAEMM
COc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(C)o2)cc1	ZINC000105039296	845931821	/nfs/dbraw/zinc/93/18/21/845931821.db2.gz	NFJDETZOYZEPEQ-UHFFFAOYSA-N	-1	1	386.477	3.566	10	0		GHAEMM
O=C(c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1)N1CCCCC1	ZINC000102320007	872899211	/nfs/dbraw/zinc/89/92/11/872899211.db2.gz	GIRHWCXJTBSXJQ-UHFFFAOYSA-N	-1	1	395.484	3.662	10	0		GHAEMM
COc1ccc(C(=O)C2CCN(C(=O)c3c([O-])cnc4ccccc43)CC2)cc1	ZINC000176537342	882712569	/nfs/dbraw/zinc/71/25/69/882712569.db2.gz	TVSYULLVXYXVAZ-UHFFFAOYSA-N	-1	1	390.439	3.684	10	0		GHAEMM
CCCN(CCC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1	ZINC000064843752	570564731	/nfs/dbraw/zinc/56/47/31/570564731.db2.gz	NAPIQLMKNOJIFS-UHFFFAOYSA-N	-1	1	391.493	3.515	10	0		GHAEMM
Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C1)CCCC2	ZINC000279825594	843408263	/nfs/dbraw/zinc/40/82/63/843408263.db2.gz	QSOFWHOOGUWDTO-ZDUSSCGKSA-N	-1	1	377.847	3.656	10	0		GHAEMM
COc1ccccc1CCN(C)C(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S	ZINC000104458764	874412030	/nfs/dbraw/zinc/41/20/30/874412030.db2.gz	XOLGKAJSNYYPNB-UHFFFAOYSA-N	-1	1	396.516	3.626	10	0		GHAEMM
CCNC(=O)c1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)nc2ccccc21	ZINC000588387103	840029247	/nfs/dbraw/zinc/02/92/47/840029247.db2.gz	XQVRDLUYVMJJRG-QXMHVHEDSA-N	-1	1	399.447	3.536	10	0		GHAEMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H]2CCC[C@@H]21	ZINC000330297326	843564931	/nfs/dbraw/zinc/56/49/31/843564931.db2.gz	GULOIIGWYANLPX-LIRRHRJNSA-N	-1	1	388.464	3.641	10	0		GHAEMM
O=C([O-])CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1	ZINC000692510813	976517482	/nfs/dbraw/zinc/51/74/82/976517482.db2.gz	ZDTVRLBBLUIESS-UHFFFAOYSA-N	-1	1	381.259	3.909	10	0		GHAEMM
C[C@@H](NCC1(NC(=O)OC(C)(C)C)CCCCC1)c1ncc(C(=O)[O-])s1	ZINC000697004284	976831874	/nfs/dbraw/zinc/83/18/74/976831874.db2.gz	KJWWSKKDJFFALY-GFCCVEGCSA-N	-1	1	383.514	3.720	10	0		GHAEMM
CCc1c([O-])nc(SCC(=O)Nc2ccccc2)n(C2CCCCC2)c1=O	ZINC000023115025	570344600	/nfs/dbraw/zinc/34/46/00/570344600.db2.gz	WAADWNVKCPUWGB-UHFFFAOYSA-N	-1	1	387.505	3.747	10	0		GHAEMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4CCC[C@H]43)cc2)cc1	ZINC000330336545	843727308	/nfs/dbraw/zinc/72/73/08/843727308.db2.gz	ZNTOZOVWABZHFD-OXJNMPFZSA-N	-1	1	384.501	3.810	10	0		GHAEMM
Cc1nc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cc(C2CC2)n1	ZINC000588514648	846934547	/nfs/dbraw/zinc/93/45/47/846934547.db2.gz	QXIHWFULEJGFTI-FPLPWBNLSA-N	-1	1	394.294	3.838	10	0		GHAEMM
CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000102319982	872898877	/nfs/dbraw/zinc/89/88/77/872898877.db2.gz	SZBGPNXXZZVXKY-UHFFFAOYSA-N	-1	1	386.473	3.589	10	0		GHAEMM
Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21	ZINC000253558932	891881098	/nfs/dbraw/zinc/88/10/98/891881098.db2.gz	PKKPMQLVKAYLPN-UCLAIMLFSA-N	-1	1	380.492	3.522	10	0		GHAEMM
CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000102319978	872898768	/nfs/dbraw/zinc/89/87/68/872898768.db2.gz	RXPSXRDBHSRFDC-UHFFFAOYSA-N	-1	1	383.473	3.564	10	0		GHAEMM
Cc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)cc1	ZINC000006818502	570620312	/nfs/dbraw/zinc/62/03/12/570620312.db2.gz	UAEVSNBAZGSUCX-GOSISDBHSA-N	-1	1	386.498	3.715	10	0		GHAEMM
CCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)[C@@H](COC)c3ccccn3)cc2)n1	ZINC000023428776	837073040	/nfs/dbraw/zinc/07/30/40/837073040.db2.gz	SBKIVOLPUNTTJC-NRFANRHFSA-N	-1	1	392.503	3.604	10	0		GHAEMM
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3(C)C)cc2)cc1	ZINC000102919701	860902545	/nfs/dbraw/zinc/90/25/45/860902545.db2.gz	SMADFZMVMIHWEN-UHFFFAOYSA-N	-1	1	388.489	3.511	10	0		GHAEMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(c1ccccc1)c1ccccc1	ZINC000103498966	881232153	/nfs/dbraw/zinc/23/21/53/881232153.db2.gz	KQCIRYJDXZDJGP-UHFFFAOYSA-N	-1	1	389.908	3.624	10	0		GHAEMM
Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([O-])c1	ZINC000129257104	887275029	/nfs/dbraw/zinc/27/50/29/887275029.db2.gz	WZMTZXGAOHFMLQ-MRXNPFEDSA-N	-1	1	391.427	3.571	10	0		GHAEMM
CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)C1	ZINC000064611571	535525555	/nfs/dbraw/zinc/52/55/55/535525555.db2.gz	DWEFNUQXNYNCRO-OAHLLOKOSA-N	-1	1	397.500	3.740	10	0		GHAEMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)c1	ZINC000330227277	840242876	/nfs/dbraw/zinc/24/28/76/840242876.db2.gz	BXIFUBBWGCLJIK-JXFKEZNVSA-N	-1	1	384.501	3.810	10	0		GHAEMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1	ZINC000101850354	851937011	/nfs/dbraw/zinc/93/70/11/851937011.db2.gz	LAXXTAQACLBPDA-UHFFFAOYSA-N	-1	1	384.461	3.549	10	0		GHAEMM
CSc1nc(C)c(CCC(=O)N2C[C@@H](c3cccs3)C[C@@H]2C)c(=O)[n-]1	ZINC000371007506	857051096	/nfs/dbraw/zinc/05/10/96/857051096.db2.gz	KVEXDVCOOGALRW-AAEUAGOBSA-N	-1	1	377.535	3.611	10	0		GHAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000130177446	859563285	/nfs/dbraw/zinc/56/32/85/859563285.db2.gz	IGLIDADCKWXBFK-INIZCTEOSA-N	-1	1	395.503	3.942	10	0		GHAEMM
Cc1cc(=O)[nH]c(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2)n1	ZINC000102841781	860878908	/nfs/dbraw/zinc/87/89/08/860878908.db2.gz	YSRJRCGPQHWCCJ-UHFFFAOYSA-N	-1	1	389.864	3.508	10	0		GHAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3(C)C)cc2)ccc1F	ZINC000102919692	860902261	/nfs/dbraw/zinc/90/22/61/860902261.db2.gz	BFCAFJXLEYHEDA-UHFFFAOYSA-N	-1	1	390.480	3.950	10	0		GHAEMM
O=C(c1c([O-])cnc2ccccc21)N1CCC([C@H](O)c2ccc(F)cc2)CC1	ZINC000176585479	882716264	/nfs/dbraw/zinc/71/62/64/882716264.db2.gz	HPGHNVDPFZTBBV-OAQYLSRUSA-N	-1	1	380.419	3.665	10	0		GHAEMM
O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(C(=O)N2CCCCCC2)CC1	ZINC000180340127	883076017	/nfs/dbraw/zinc/07/60/17/883076017.db2.gz	ICHPUWAKNJKGSN-UHFFFAOYSA-N	-1	1	398.425	3.666	10	0		GHAEMM
CCOc1cc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc(Cl)c1[O-]	ZINC000186831383	883709609	/nfs/dbraw/zinc/70/96/09/883709609.db2.gz	VDLNYSJWOKCPQK-UHFFFAOYSA-N	-1	1	389.883	3.547	10	0		GHAEMM
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1	ZINC000012202371	221167212	/nfs/dbraw/zinc/16/72/12/221167212.db2.gz	ZYBZWJKTZSUBGQ-UHFFFAOYSA-N	-1	1	386.473	3.654	10	0		GHAEMM
CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1	ZINC000015730476	221342770	/nfs/dbraw/zinc/34/27/70/221342770.db2.gz	GMNFNRVEMMQQHC-GFCCVEGCSA-N	-1	1	376.503	3.873	10	0		GHAEMM
Cc1cccnc1/C=C\C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000588454792	843339534	/nfs/dbraw/zinc/33/95/34/843339534.db2.gz	PHTWQLDOWUJQET-SEYXRHQNSA-N	-1	1	393.468	3.843	10	0		GHAEMM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CC[C@@H]2CCC[C@H]21	ZINC000330302237	843610079	/nfs/dbraw/zinc/61/00/79/843610079.db2.gz	JKMSGZYJCBSICL-IFXJQAMLSA-N	-1	1	388.464	3.641	10	0		GHAEMM
Cc1ccc(CN2CCSCC2)cc1NC(=O)c1c([O-])cc(F)cc1F	ZINC000102470873	883490439	/nfs/dbraw/zinc/49/04/39/883490439.db2.gz	FOIRNOAEBUJLRS-UHFFFAOYSA-N	-1	1	378.444	3.780	10	0		GHAEMM
Cc1cc(=O)[nH]c(-c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)n1	ZINC000102841793	884508296	/nfs/dbraw/zinc/50/82/96/884508296.db2.gz	VFDSOONOPKUVBP-UHFFFAOYSA-N	-1	1	397.500	3.745	10	0		GHAEMM
CC(C)Oc1cccc(C=CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)c1	ZINC000068426491	891178504	/nfs/dbraw/zinc/17/85/04/891178504.db2.gz	LODKMDBEFJRAIZ-BQYQJAHWSA-N	-1	1	386.521	3.684	10	0		GHAEMM
O=C(CSc1nc2c(c(=O)[n-]1)CCC2)N(c1ccccc1)c1ccccc1	ZINC000018155710	221389356	/nfs/dbraw/zinc/38/93/56/221389356.db2.gz	OTKORVRYKNTASA-UHFFFAOYSA-N	-1	1	377.469	3.716	10	0		GHAEMM
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nc(Cc2ccccc2)n[n-]1	ZINC000195286409	888676455	/nfs/dbraw/zinc/67/64/55/888676455.db2.gz	OUUGMCWYDHMUBM-AWEZNQCLSA-N	-1	1	394.456	3.585	10	0		GHAEMM
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nnc(Cc2ccccc2)[n-]1	ZINC000195286409	888676466	/nfs/dbraw/zinc/67/64/66/888676466.db2.gz	OUUGMCWYDHMUBM-AWEZNQCLSA-N	-1	1	394.456	3.585	10	0		GHAEMM
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1n[n-]c(Cc2ccccc2)n1	ZINC000195286409	888676473	/nfs/dbraw/zinc/67/64/73/888676473.db2.gz	OUUGMCWYDHMUBM-AWEZNQCLSA-N	-1	1	394.456	3.585	10	0		GHAEMM
COc1cc2nc(-c3csc(COc4ccccc4)n3)[n-]c(=O)c2cc1OC	ZINC000083925414	570980519	/nfs/dbraw/zinc/98/05/19/570980519.db2.gz	YUQWGKVWBKYBQQ-UHFFFAOYSA-N	-1	1	395.440	3.643	10	0		GHAEMM
CSc1nc(C)c(CCC(=O)N2C[C@@H](c3cccs3)C[C@H]2C)c(=O)[n-]1	ZINC000371007513	857052336	/nfs/dbraw/zinc/05/23/36/857052336.db2.gz	KVEXDVCOOGALRW-YPMHNXCESA-N	-1	1	377.535	3.611	10	0		GHAEMM
O=S(=O)([N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cccc2ncccc21	ZINC000102632300	873340831	/nfs/dbraw/zinc/34/08/31/873340831.db2.gz	YEHONIXUZCXARD-UHFFFAOYSA-N	-1	1	391.456	3.698	10	0		GHAEMM
CCc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)n[nH]1	ZINC000102785108	884453764	/nfs/dbraw/zinc/45/37/64/884453764.db2.gz	RNWAYIOIHASAEM-UHFFFAOYSA-N	-1	1	398.488	3.642	10	0		GHAEMM
CCc1cc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)nc(C)n1	ZINC000588457058	843371745	/nfs/dbraw/zinc/37/17/45/843371745.db2.gz	HCNCMKHCJMAHEZ-HJWRWDBZSA-N	-1	1	382.283	3.523	10	0		GHAEMM
Cc1csc(C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)n1	ZINC000171275073	882092733	/nfs/dbraw/zinc/09/27/33/882092733.db2.gz	JNWMMLFTVOUJNT-UHFFFAOYSA-N	-1	1	381.295	3.939	10	0		GHAEMM
Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c([O-])c1	ZINC000172717503	882302450	/nfs/dbraw/zinc/30/24/50/882302450.db2.gz	OGJQRLUGHPHWCD-UHFFFAOYSA-N	-1	1	389.411	3.633	10	0		GHAEMM
Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCOc3ccccc32)cc1	ZINC000104249376	874241615	/nfs/dbraw/zinc/24/16/15/874241615.db2.gz	BTRJWHIRYAPFAW-UHFFFAOYSA-N	-1	1	380.473	3.732	10	0		GHAEMM
COc1ccccc1CCN(C)C(=O)Cn1c(-c2ccc(C)cc2)n[n-]c1=S	ZINC000104458602	874411623	/nfs/dbraw/zinc/41/16/23/874411623.db2.gz	YIGIBADACNTMDI-UHFFFAOYSA-N	-1	1	396.516	3.626	10	0		GHAEMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1	ZINC000330297374	843565155	/nfs/dbraw/zinc/56/51/55/843565155.db2.gz	GVNYGJZSSOITGZ-JXFKEZNVSA-N	-1	1	384.501	3.810	10	0		GHAEMM
CCOc1c(CNCc2ccc(C(=O)[O-])cc2)cc(Br)cc1OC	ZINC000010475224	221104400	/nfs/dbraw/zinc/10/44/00/221104400.db2.gz	UZSICJPFTBZTIX-UHFFFAOYSA-N	-1	1	394.265	3.844	10	0		GHAEMM
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21	ZINC000006779498	570586475	/nfs/dbraw/zinc/58/64/75/570586475.db2.gz	VQHIRZQTZBABQG-CQSZACIVSA-N	-1	1	390.530	3.951	10	0		GHAEMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1	ZINC000330297377	843569229	/nfs/dbraw/zinc/56/92/29/843569229.db2.gz	GVNYGJZSSOITGZ-UZLBHIALSA-N	-1	1	384.501	3.810	10	0		GHAEMM
O=C(Nc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1)c1ccoc1	ZINC000102320196	872933248	/nfs/dbraw/zinc/93/32/48/872933248.db2.gz	LVEIYYFOMOPDLL-UHFFFAOYSA-N	-1	1	393.424	3.881	10	0		GHAEMM
O=C(c1c([O-])cnc2ccccc21)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000192998502	884318398	/nfs/dbraw/zinc/31/83/98/884318398.db2.gz	ZMTPHUAADTWSNK-UHFFFAOYSA-N	-1	1	382.847	3.718	10	0		GHAEMM
Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c([O-])c1	ZINC000129554219	887318939	/nfs/dbraw/zinc/31/89/39/887318939.db2.gz	QANAGGJGMAKUDL-QFIPXVFZSA-N	-1	1	395.459	3.903	10	0		GHAEMM
CC(C)Oc1cccc(C=CC(=O)N2CCC[C@H](c3n[n-]c(=S)n3C)C2)c1	ZINC000097569908	883093435	/nfs/dbraw/zinc/09/34/35/883093435.db2.gz	VQIBIQWEQSPUIA-SCOAYWHSSA-N	-1	1	386.521	3.684	10	0		GHAEMM