smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc3ccccc3n1)C2	ZINC000218426267	231031379	/nfs/dbraw/zinc/03/13/79/231031379.db2.gz	AEUSOKISTCTFMC-FQEVSTJZSA-N	0	0	379.464	1.959	50	70		GDIARN
Cc1cc(-c2cccs2)nn1CCNC(=O)N1CCN(S(C)(=O)=O)C1=O	ZINC000217876306	205942668	/nfs/dbraw/zinc/94/26/68/205942668.db2.gz	YSEYFGKNKIQNJP-UHFFFAOYSA-N	0	0	397.482	1.327	50	70		GDIARN
Cc1nccn1CCNC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O	ZINC000218207102	570327927	/nfs/dbraw/zinc/32/79/27/570327927.db2.gz	JIGYEZBGLHUOIF-KRWDZBQOSA-N	0	0	383.452	1.251	50	70		GDIARN
O=C(c1cncc(Br)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217730427	531027136	/nfs/dbraw/zinc/02/71/36/531027136.db2.gz	JGUNPJOIGOSTHK-OKILXGFUSA-N	0	0	390.237	1.620	50	70		GDIARN
O[C@H](c1cc2n(n1)CCN(Cc1cnc(N3CCOCC3)s1)C2)C1CC1	ZINC000218561119	570336566	/nfs/dbraw/zinc/33/65/66/570336566.db2.gz	IYQWKXGALSVWFR-KRWDZBQOSA-N	0	0	375.498	1.635	50	70		GDIARN
O=C(c1ccc(Br)o1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	ZINC000217732025	531026974	/nfs/dbraw/zinc/02/69/74/531026974.db2.gz	IRSHLSDSSARCDI-GHMZBOCLSA-N	0	0	379.210	1.818	50	70		GDIARN
CSCC[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O	ZINC000217920876	205944479	/nfs/dbraw/zinc/94/44/79/205944479.db2.gz	OLISGIJEKAUUEN-HOTGVXAUSA-N	0	0	393.509	1.160	50	70	biogenic	GDIARN
COc1ccc(OCCNC(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000218596651	570931142	/nfs/dbraw/zinc/93/11/42/570931142.db2.gz	MIOVLHQNXWFVLJ-KRWDZBQOSA-N	0	0	383.404	1.705	50	70		GDIARN
CC(C)C[C@H](CO)NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C	ZINC000160683573	530554059	/nfs/dbraw/zinc/55/40/59/530554059.db2.gz	HGSMVPFJAUAZPK-SNVBAGLBSA-N	0	0	384.274	1.776	50	70		GDIARN
COC(=O)CS[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1	ZINC000217558066	531027274	/nfs/dbraw/zinc/02/72/74/531027274.db2.gz	WNJVSGOFMZODTH-ZDUSSCGKSA-N	0	0	386.495	1.058	50	70		GDIARN
COc1ccc(Cc2nc(NC(=O)Cn3cnc4ccsc4c3=O)n[nH]2)cc1	ZINC000218274286	205947861	/nfs/dbraw/zinc/94/78/61/205947861.db2.gz	FEOKFOADKDGNAB-UHFFFAOYSA-N	0	0	396.432	1.814	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)NCc1ccccn1	ZINC000218502373	205948763	/nfs/dbraw/zinc/94/87/63/205948763.db2.gz	GBTYILZXKHNSEZ-BFUOFWGJSA-N	0	0	385.445	1.985	50	70		GDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3nc(C)cc3C)C2=O)cc1	ZINC000218520093	570336254	/nfs/dbraw/zinc/33/62/54/570336254.db2.gz	QNEAGVRSXSAANQ-INIZCTEOSA-N	0	0	385.424	1.140	50	70		GDIARN
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCc2ccc(O)cc2)C1=O	ZINC000218301387	570819594	/nfs/dbraw/zinc/81/95/94/570819594.db2.gz	CLLWWABTKPESJZ-KRWDZBQOSA-N	0	0	397.431	1.570	50	70		GDIARN
Cc1cc(S(=O)(=O)N2CC(N3C(=O)CCC3=O)C2)c(Cl)cc1Cl	ZINC000217717817	531027262	/nfs/dbraw/zinc/02/72/62/531027262.db2.gz	DZRODPQPCXZWQO-UHFFFAOYSA-N	0	0	377.249	1.824	50	70		GDIARN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1n[nH]c(C(F)(F)F)n1	ZINC000218021722	531027520	/nfs/dbraw/zinc/02/75/20/531027520.db2.gz	ZBUHXGFZNLEEIM-ZKWXMUAHSA-N	0	0	378.380	1.488	50	70	biogenic	GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC3CCOCC3)CS[C@@H]21	ZINC000218061157	203789794	/nfs/dbraw/zinc/78/97/94/203789794.db2.gz	BZGYMBVHMRSPOC-DJJJIMSYSA-N	0	0	392.477	1.816	50	70	biogenic	GDIARN
COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCn2nc(C)cc2C)C1=O	ZINC000218320492	205946995	/nfs/dbraw/zinc/94/69/95/205946995.db2.gz	FXJNHOSLSGCUSI-INIZCTEOSA-N	0	0	399.451	1.135	50	70		GDIARN
CCc1cnc(C)nc1N1CCn2nc(CN3CCC[C@@H](C(N)=O)C3)cc2C1	ZINC000216714510	136203189	/nfs/dbraw/zinc/20/31/89/136203189.db2.gz	BRAHRTUUCXCMJY-MRXNPFEDSA-N	0	0	383.500	1.261	50	70		GDIARN
COc1cn(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)cc1=O	ZINC000218176587	570327235	/nfs/dbraw/zinc/32/72/35/570327235.db2.gz	DIPRZIXXBVXFCM-UHFFFAOYSA-N	0	0	380.404	1.769	50	70		GDIARN
Cc1cc(C)n(CCNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)n1	ZINC000218225038	570328235	/nfs/dbraw/zinc/32/82/35/570328235.db2.gz	WGGDBGYGDBQMNP-KRWDZBQOSA-N	0	0	383.452	1.517	50	70		GDIARN
COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)C(C)C	ZINC000218285062	570329837	/nfs/dbraw/zinc/32/98/37/570329837.db2.gz	XYYVLXXKTCDXSF-KRWDZBQOSA-N	0	0	377.828	1.878	50	70		GDIARN
COc1ccc([C@@H](NC(=O)c2[nH]c(=O)nc3ccccc32)C2CC(O)C2)cn1	ZINC000218287495	570330148	/nfs/dbraw/zinc/33/01/48/570330148.db2.gz	JZOHJVFTWSIRNI-QWQCLYJRSA-N	0	0	380.404	1.569	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccco1	ZINC000218295428	570330404	/nfs/dbraw/zinc/33/04/04/570330404.db2.gz	DPQNKHOTWRHWEY-SFHVURJKSA-N	0	0	394.431	1.973	50	70		GDIARN
O=c1cc(CN2CCOCC2)oc(CN2CCO[C@H](c3ccccc3)C2)c1O	ZINC000218469003	570335094	/nfs/dbraw/zinc/33/50/94/570335094.db2.gz	BRCKWVUNURUIEH-IBGZPJMESA-N	0	0	386.448	1.751	50	70		GDIARN
COCc1nn2c(nc(CSCC(=O)Nc3ccccn3)cc2=O)s1	ZINC000218608041	205949924	/nfs/dbraw/zinc/94/99/24/205949924.db2.gz	YPDGMDNCQZNJHB-UHFFFAOYSA-N	0	0	377.451	1.564	50	70		GDIARN
Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cn1	ZINC000218312064	570331192	/nfs/dbraw/zinc/33/11/92/570331192.db2.gz	RTCICQWISQXXNU-RISCZKNCSA-N	0	0	377.470	1.815	50	70		GDIARN
COCCn1c(C)cc(C)c(C(=O)NCCc2nc(-c3ccccn3)no2)c1=O	ZINC000218602376	570337842	/nfs/dbraw/zinc/33/78/42/570337842.db2.gz	ADWBOWWBNWGPHF-UHFFFAOYSA-N	0	0	397.435	1.529	50	70		GDIARN
NC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218609009	205948607	/nfs/dbraw/zinc/94/86/07/205948607.db2.gz	QAOMAWQEOAYQMN-CYBMUJFWSA-N	0	0	394.374	1.463	50	70		GDIARN
COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NCc2cccnc2)C1=O	ZINC000217860395	205942428	/nfs/dbraw/zinc/94/24/28/205942428.db2.gz	WXSNBAFIGPWOSI-KRWDZBQOSA-N	0	0	396.447	1.650	50	70	biogenic	GDIARN
COC[C@H]1[C@@H](NC(=O)Cc2cc(OC)c(OC)cc2C(C)=O)[C@@H]2CCO[C@H]12	ZINC000218455790	570334740	/nfs/dbraw/zinc/33/47/40/570334740.db2.gz	UIPBACNXALPQGP-RGGPIECMSA-N	0	0	377.437	1.615	50	70		GDIARN
COC(=O)C[C@H](c1cccc2nccnc21)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218522538	570336403	/nfs/dbraw/zinc/33/64/03/570336403.db2.gz	QWOQRNYKFZAYJY-LLVKDONJSA-N	0	0	383.360	1.505	50	70		GDIARN
O=S(=O)(c1ccc(Cl)s1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217615938	136203285	/nfs/dbraw/zinc/20/32/85/136203285.db2.gz	USNWBJAWQITAHT-UHFFFAOYSA-N	0	0	386.886	1.733	50	70		GDIARN
O=C(c1cc2ccccc2oc1=O)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217609104	136203376	/nfs/dbraw/zinc/20/33/76/136203376.db2.gz	CYTWXMPCMYGRRV-UHFFFAOYSA-N	0	0	378.388	1.576	50	70		GDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2c(c(Cl)c1)OCO2	ZINC000218155618	570326480	/nfs/dbraw/zinc/32/64/80/570326480.db2.gz	YMVBOVNZJNYSOC-SECBINFHSA-N	0	0	395.799	1.198	50	70		GDIARN
COCc1nnc(NC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)s1	ZINC000218485728	570908291	/nfs/dbraw/zinc/90/82/91/570908291.db2.gz	UVHSHSCIUOUETB-GFCCVEGCSA-N	0	0	378.454	1.894	50	70		GDIARN
O=C(c1ccc(Br)o1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217731931	531026904	/nfs/dbraw/zinc/02/69/04/531026904.db2.gz	IRSHLSDSSARCDI-QWRGUYRKSA-N	0	0	379.210	1.818	50	70		GDIARN
Cc1noc(CCNC(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)n1	ZINC000218469925	205947636	/nfs/dbraw/zinc/94/76/36/205947636.db2.gz	UBLAQMGJLOGDJD-HNNXBMFYSA-N	0	0	393.403	1.705	50	70		GDIARN
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCOCC1	ZINC000218527638	136203706	/nfs/dbraw/zinc/20/37/06/136203706.db2.gz	WONLBADSHITMFR-UHFFFAOYSA-N	0	0	398.507	1.245	50	70		GDIARN
O=c1cc(CN2CCOCC2)oc(CN2CCN(c3ccccc3)CC2)c1O	ZINC000218376618	136203724	/nfs/dbraw/zinc/20/37/24/136203724.db2.gz	MFJVMVCDJSJOFV-UHFFFAOYSA-N	0	0	385.464	1.500	50	70		GDIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000218138876	570325982	/nfs/dbraw/zinc/32/59/82/570325982.db2.gz	SWWIFYLTBJTDBS-NSHDSACASA-N	0	0	397.387	1.183	50	70		GDIARN
CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	ZINC000218234153	570328762	/nfs/dbraw/zinc/32/87/62/570328762.db2.gz	JTWUCTPVQBAHPG-IBGZPJMESA-N	0	0	381.480	1.807	50	70		GDIARN
Cc1c(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc2c3c(c(=O)oc12)CCC3	ZINC000218246844	570328774	/nfs/dbraw/zinc/32/87/74/570328774.db2.gz	JYJIQUVHEZFYEB-GFCCVEGCSA-N	0	0	391.445	1.272	50	70		GDIARN
COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216785935	570418572	/nfs/dbraw/zinc/41/85/72/570418572.db2.gz	WASCAJKSAIQRMY-UHFFFAOYSA-N	0	0	381.498	1.257	50	70		GDIARN
COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1	ZINC000217560294	531027298	/nfs/dbraw/zinc/02/72/98/531027298.db2.gz	FSXGQWRJHWGBTG-AWEZNQCLSA-N	0	0	385.507	1.530	50	70		GDIARN
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C2	ZINC000217869638	531027429	/nfs/dbraw/zinc/02/74/29/531027429.db2.gz	RFKCXCKAIHDPEX-ZETCQYMHSA-N	0	0	377.754	1.998	50	70		GDIARN
CS(=O)(=O)N1CCN(C(=O)NCCn2ccc(-c3ccsc3)n2)C1=O	ZINC000217891547	531027555	/nfs/dbraw/zinc/02/75/55/531027555.db2.gz	KGMZIJIGDDBNFW-UHFFFAOYSA-N	0	0	383.455	1.018	50	70		GDIARN
O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2cc(-c3ccccc3)nn2)C1	ZINC000217674424	205940640	/nfs/dbraw/zinc/94/06/40/205940640.db2.gz	WFVPJMUCXLJVRX-UHFFFAOYSA-N	0	0	398.444	1.962	50	70		GDIARN
O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000218341455	205947660	/nfs/dbraw/zinc/94/76/60/205947660.db2.gz	FTYCTWOINGVFCU-DOTOQJQBSA-N	0	0	382.416	1.661	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NCCc1nc2ccccc2[nH]1	ZINC000218484334	205949486	/nfs/dbraw/zinc/94/94/86/205949486.db2.gz	HJKIXDUUBMLIGW-INIZCTEOSA-N	0	0	377.404	1.737	50	70		GDIARN
COCCn1c(CNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21	ZINC000218157470	570326665	/nfs/dbraw/zinc/32/66/65/570326665.db2.gz	ZHYNWMKEIVVETA-UHFFFAOYSA-N	0	0	383.456	1.645	50	70		GDIARN
COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218611904	570337756	/nfs/dbraw/zinc/33/77/56/570337756.db2.gz	LJPMWCTXRPOVAB-NSHDSACASA-N	0	0	383.360	1.505	50	70		GDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2OC)C1=O	ZINC000217765073	205942481	/nfs/dbraw/zinc/94/24/81/205942481.db2.gz	NCPPWPQRFRRFGN-VNQPRFMTSA-N	0	0	391.468	1.419	50	70	biogenic	GDIARN
CSCC[C@H](NC(=O)CNC(=O)c1cnccn1)c1nc2ccccc2[nH]1	ZINC000218282044	570329569	/nfs/dbraw/zinc/32/95/69/570329569.db2.gz	GTDRZPKEQZGOFR-AWEZNQCLSA-N	0	0	384.465	1.693	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccn3)CS[C@H]21	ZINC000218502534	570335862	/nfs/dbraw/zinc/33/58/62/570335862.db2.gz	GBTYILZXKHNSEZ-ORAYPTAESA-N	0	0	385.445	1.985	50	70		GDIARN
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCN1CCOCC1	ZINC000218601110	570337365	/nfs/dbraw/zinc/33/73/65/570337365.db2.gz	MJGYQPZDBGYDPL-QAPCUYQASA-N	0	0	375.494	1.483	50	70		GDIARN
C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2	ZINC000217073006	205935877	/nfs/dbraw/zinc/93/58/77/205935877.db2.gz	XMXKOYKOBBPKFI-LLVKDONJSA-N	0	0	377.828	1.946	50	70		GDIARN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)n1	ZINC000218409450	205947560	/nfs/dbraw/zinc/94/75/60/205947560.db2.gz	OGPNXISZCDTDSN-DLBZAZTESA-N	0	0	388.493	1.420	50	70		GDIARN
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](Cc1ccncc1)C1CC(O)C1	ZINC000218661681	570338604	/nfs/dbraw/zinc/33/86/04/570338604.db2.gz	NNZIJGPJSSMJSO-RUXDESIVSA-N	0	0	384.889	1.437	50	70		GDIARN
O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000217978242	531027174	/nfs/dbraw/zinc/02/71/74/531027174.db2.gz	UBULYRXFRVRSPB-UHFFFAOYSA-N	0	0	380.495	1.428	50	70		GDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OC(F)F)c1	ZINC000218390165	205947068	/nfs/dbraw/zinc/94/70/68/205947068.db2.gz	PHKDWPJUOBSDAX-NSHDSACASA-N	0	0	383.351	1.417	50	70		GDIARN
COc1cccc(CN2CCN(c3cc(C4CC(O)C4)nc(C)n3)CC2=O)c1	ZINC000218025853	136203547	/nfs/dbraw/zinc/20/35/47/136203547.db2.gz	UTRMMVYJFUBHPP-UHFFFAOYSA-N	0	0	382.464	1.881	50	70		GDIARN
Cn1nnc(-c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)n1	ZINC000218230035	570328417	/nfs/dbraw/zinc/32/84/17/570328417.db2.gz	OSURJMVGOMOYHI-UHFFFAOYSA-N	0	0	392.463	1.600	50	70		GDIARN
CSCC[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn21	ZINC000218443452	570334492	/nfs/dbraw/zinc/33/44/92/570334492.db2.gz	PRCBBENSHBQGQT-AWEZNQCLSA-N	0	0	394.464	1.929	50	70		GDIARN
COCc1nnc(NC(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)s1	ZINC000218485648	570908456	/nfs/dbraw/zinc/90/84/56/570908456.db2.gz	UVHSHSCIUOUETB-LBPRGKRZSA-N	0	0	378.454	1.894	50	70		GDIARN
COc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1OC	ZINC000217788583	531026922	/nfs/dbraw/zinc/02/69/22/531026922.db2.gz	POYZOKTXLOLBBC-SNVBAGLBSA-N	0	0	386.451	1.162	50	70		GDIARN
COc1ccc(CNC(=O)COc2ccc(-c3nnn(C)n3)cc2)cc1OC	ZINC000218189032	205946224	/nfs/dbraw/zinc/94/62/24/205946224.db2.gz	PNOSNHZVQIBORX-UHFFFAOYSA-N	0	0	383.408	1.590	50	70		GDIARN
O=C(NCCc1nnc2ccccn21)C1CCN(c2ccc(Cl)nn2)CC1	ZINC000218150890	136203708	/nfs/dbraw/zinc/20/37/08/136203708.db2.gz	VJQKOXJDMCAOCD-UHFFFAOYSA-N	0	0	385.859	1.748	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3ccccn3)CS[C@@H]21	ZINC000218502459	570335979	/nfs/dbraw/zinc/33/59/79/570335979.db2.gz	GBTYILZXKHNSEZ-YJYMSZOUSA-N	0	0	385.445	1.985	50	70		GDIARN
CCn1ncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)c1C	ZINC000218765577	570340753	/nfs/dbraw/zinc/34/07/53/570340753.db2.gz	ULAIGDAFUPFYKJ-HZPDHXFCSA-N	0	0	383.445	1.865	50	70		GDIARN
C[C@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)c1cccs1	ZINC000217479121	205938209	/nfs/dbraw/zinc/93/82/09/205938209.db2.gz	XIKNGCKFYXVSIK-SFHVURJKSA-N	0	0	392.502	1.769	50	70		GDIARN
O=C(NCc1ccnc(N2CCOCC2)n1)c1nccc(N2CCCCC2)n1	ZINC000217586270	136203284	/nfs/dbraw/zinc/20/32/84/136203284.db2.gz	HCWWPQWHXKIZDY-UHFFFAOYSA-N	0	0	383.456	1.024	50	70		GDIARN
O=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCOCC2)c1O	ZINC000218290934	136203649	/nfs/dbraw/zinc/20/36/49/136203649.db2.gz	VMTPBADPVYQWBL-UHFFFAOYSA-N	0	0	385.464	1.500	50	70		GDIARN
Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cnn2cc(C)cnc12	ZINC000218250405	570328685	/nfs/dbraw/zinc/32/86/85/570328685.db2.gz	FMTRJNFUKUUJFJ-IAGOWNOFSA-N	0	0	385.424	1.747	50	70		GDIARN
CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277414	570329522	/nfs/dbraw/zinc/32/95/22/570329522.db2.gz	KHKINERBVASELL-IINYFYTJSA-N	0	0	390.465	1.770	50	70		GDIARN
COCc1nn2c(nc(CSCC(=O)Nc3cccnc3)cc2=O)s1	ZINC000218605355	570337913	/nfs/dbraw/zinc/33/79/13/570337913.db2.gz	YDFUGHPCNSFSIB-UHFFFAOYSA-N	0	0	377.451	1.564	50	70		GDIARN
Cc1nnnn1-c1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1	ZINC000218135545	208833115	/nfs/dbraw/zinc/83/31/15/208833115.db2.gz	DSXFUCMCNMGHRA-INIZCTEOSA-N	0	0	391.391	1.050	50	70		GDIARN
O=S(=O)(c1ccccc1C(F)(F)F)N1CCCn2nc(CO)cc2C1	ZINC000218031961	208833249	/nfs/dbraw/zinc/83/32/49/208833249.db2.gz	LPMLCEVHTZTTEC-UHFFFAOYSA-N	0	0	375.372	1.989	50	70		GDIARN
O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000218407586	208836440	/nfs/dbraw/zinc/83/64/40/208836440.db2.gz	KWELZAGWOVTGIB-SJORKVTESA-N	0	0	396.443	1.531	50	70		GDIARN
O[C@@H](c1cc2n(n1)CCN(Cc1cnc(N3CCOCC3)s1)C2)C1CC1	ZINC000218561038	208838302	/nfs/dbraw/zinc/83/83/02/208838302.db2.gz	IYQWKXGALSVWFR-QGZVFWFLSA-N	0	0	375.498	1.635	50	70		GDIARN
Cc1cc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1	ZINC000218354823	570332395	/nfs/dbraw/zinc/33/23/95/570332395.db2.gz	RJGUYARSYSYCBP-ZDUSSCGKSA-N	0	0	379.434	1.400	50	70		GDIARN
COC(=O)C[C@@H](c1cccc2nccnc21)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218522461	570336325	/nfs/dbraw/zinc/33/63/25/570336325.db2.gz	QWOQRNYKFZAYJY-NSHDSACASA-N	0	0	383.360	1.505	50	70		GDIARN
O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1N1CCC(=O)NC1=O	ZINC000216949641	570310381	/nfs/dbraw/zinc/31/03/81/570310381.db2.gz	LUIOCYQVPMQLFN-CYBMUJFWSA-N	0	0	381.388	1.703	50	70		GDIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccncc3)C2=O)cc1OC	ZINC000217600594	570319012	/nfs/dbraw/zinc/31/90/12/570319012.db2.gz	XFHPZNYIFCUGRE-HNNXBMFYSA-N	0	0	398.419	1.226	50	70	biogenic	GDIARN
Cn1c(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)nc2ccccc21	ZINC000218180468	570327223	/nfs/dbraw/zinc/32/72/23/570327223.db2.gz	MKHNRELKIVCEDS-SFHVURJKSA-N	0	0	375.436	1.703	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCN1CCOCC1	ZINC000218563128	570336590	/nfs/dbraw/zinc/33/65/90/570336590.db2.gz	CGILFCPKGYOFCZ-KRWDZBQOSA-N	0	0	396.447	1.103	50	70		GDIARN
COCCn1c(C)cc(C)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1=O	ZINC000218559299	570336624	/nfs/dbraw/zinc/33/66/24/570336624.db2.gz	ZVDBKILKXXUNEM-UHFFFAOYSA-N	0	0	399.373	1.378	50	70		GDIARN
COc1ccccc1N1C[C@@H](C(=O)NCCSc2nncn2C)CC1=O	ZINC000217647732	208829060	/nfs/dbraw/zinc/82/90/60/208829060.db2.gz	HZZLRXITPCVHQW-LBPRGKRZSA-N	0	0	375.454	1.085	50	70		GDIARN
Cc1ccccc1OCC(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1	ZINC000217695874	208829971	/nfs/dbraw/zinc/82/99/71/208829971.db2.gz	UYDGHUDGPPODIQ-UHFFFAOYSA-N	0	0	377.466	1.572	50	70		GDIARN
COc1ccc(-c2cc(C(=O)N[C@H](CO)CCSC)n(C)n2)cc1OC	ZINC000218293447	208834498	/nfs/dbraw/zinc/83/44/98/208834498.db2.gz	SOJPSGODRVCFLR-ZDUSSCGKSA-N	0	0	379.482	1.948	50	70		GDIARN
CCc1cc(CN(C)C(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)on1	ZINC000218200934	208835013	/nfs/dbraw/zinc/83/50/13/208835013.db2.gz	FPPWKROYAGUQCV-HNNXBMFYSA-N	0	0	383.452	1.967	50	70		GDIARN
Cn1nc(-c2ccccc2)cc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217611767	136203333	/nfs/dbraw/zinc/20/33/33/136203333.db2.gz	OUVFCTZWCVUZSG-UHFFFAOYSA-N	0	0	390.447	1.870	50	70		GDIARN
O=C(c1cccs1)N1CCC(N2CCn3nc([C@@H](O)CO)cc3C2)CC1	ZINC000217905707	570322472	/nfs/dbraw/zinc/32/24/72/570322472.db2.gz	SZOMDHDHQIBUJW-INIZCTEOSA-N	0	0	376.482	1.091	50	70		GDIARN
Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCC3)C2	ZINC000218034030	570324477	/nfs/dbraw/zinc/32/44/77/570324477.db2.gz	PMIPMOOILPLCBE-LJQANCHMSA-N	0	0	377.448	1.843	50	70		GDIARN
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc3c(c1)OCO3)C2	ZINC000218285770	570329901	/nfs/dbraw/zinc/32/99/01/570329901.db2.gz	JDCTUOXCKZANSU-FQEVSTJZSA-N	0	0	381.436	1.833	50	70		GDIARN
COCCn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cc2c1=O	ZINC000218289583	570330201	/nfs/dbraw/zinc/33/02/01/570330201.db2.gz	BYHNLAUVVCBOLC-CQSZACIVSA-N	0	0	386.452	1.486	50	70		GDIARN
O=c1c(=O)c(N2CCN(c3ncccn3)CC2)c1NCc1cccc(Cl)c1	ZINC000218145337	136203528	/nfs/dbraw/zinc/20/35/28/136203528.db2.gz	BYPFVNZQGJKRAS-UHFFFAOYSA-N	0	0	383.839	1.665	50	70		GDIARN
COc1ccnc(N2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)n1	ZINC000217169400	570313605	/nfs/dbraw/zinc/31/36/05/570313605.db2.gz	CNOOJIDHKSSLRR-UHFFFAOYSA-N	0	0	383.452	1.284	50	70		GDIARN
O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1nc(-c2ccccn2)no1	ZINC000218163283	570326865	/nfs/dbraw/zinc/32/68/65/570326865.db2.gz	XBNGNGWEPIFMKC-HNNXBMFYSA-N	0	0	379.376	1.580	50	70		GDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccccn3)C2=O)cc1OC	ZINC000218275528	570329604	/nfs/dbraw/zinc/32/96/04/570329604.db2.gz	BZKGWMGNNNPTTE-AWEZNQCLSA-N	0	0	398.419	1.591	50	70		GDIARN
Cc1nc2cc(CNC(=O)CNS(=O)(=O)c3ccc(F)cc3C)ccc2[nH]1	ZINC000218495058	570335616	/nfs/dbraw/zinc/33/56/16/570335616.db2.gz	YBFLGQAGKVNOQP-UHFFFAOYSA-N	0	0	390.440	1.914	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccccn3)CS[C@@H]21	ZINC000218502604	570335981	/nfs/dbraw/zinc/33/59/81/570335981.db2.gz	GBTYILZXKHNSEZ-DJJJIMSYSA-N	0	0	385.445	1.985	50	70		GDIARN
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCN1CCOCC1	ZINC000218601034	570337406	/nfs/dbraw/zinc/33/74/06/570337406.db2.gz	MJGYQPZDBGYDPL-CRAIPNDOSA-N	0	0	375.494	1.483	50	70		GDIARN
NC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218609091	570337736	/nfs/dbraw/zinc/33/77/36/570337736.db2.gz	QAOMAWQEOAYQMN-ZDUSSCGKSA-N	0	0	394.374	1.463	50	70		GDIARN
COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1	ZINC000217558160	531027193	/nfs/dbraw/zinc/02/71/93/531027193.db2.gz	WNJVSGOFMZODTH-CYBMUJFWSA-N	0	0	386.495	1.058	50	70		GDIARN
Cc1cc(OC2CN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)C2)cc(=O)o1	ZINC000217754005	208830472	/nfs/dbraw/zinc/83/04/72/208830472.db2.gz	SDUPABLERPTZAN-DJJJIMSYSA-N	0	0	395.477	1.736	50	70		GDIARN
Cc1sc2ncn(CC(=O)Nc3cccc(-c4nnn(C)n4)c3)c(=O)c2c1C	ZINC000218181115	208835305	/nfs/dbraw/zinc/83/53/05/208835305.db2.gz	LNZJRUNPFPOSPY-UHFFFAOYSA-N	0	0	395.448	1.904	50	70		GDIARN
COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000218520524	208835795	/nfs/dbraw/zinc/83/57/95/208835795.db2.gz	VFSMDYGHKOHUMJ-SFHVURJKSA-N	0	0	397.431	1.878	50	70		GDIARN
COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O)C(C)C	ZINC000218345667	208836134	/nfs/dbraw/zinc/83/61/34/208836134.db2.gz	OMIKUHMRCKOSGS-SFHVURJKSA-N	0	0	391.399	1.372	50	70		GDIARN
NC(=O)Cc1nc([C@H]2Cc3ccccc3O2)n(Cc2ccc3c(c2)OCO3)n1	ZINC000217510564	570317378	/nfs/dbraw/zinc/31/73/78/570317378.db2.gz	GWVFSJMXUNPDKR-QGZVFWFLSA-N	0	0	378.388	1.759	50	70		GDIARN
C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)C2	ZINC000217934499	570322667	/nfs/dbraw/zinc/32/26/67/570322667.db2.gz	DVILOMMLGJQDSI-AWEZNQCLSA-N	0	0	377.466	1.533	50	70		GDIARN
CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277464	570329375	/nfs/dbraw/zinc/32/93/75/570329375.db2.gz	KHKINERBVASELL-HZMBPMFUSA-N	0	0	390.465	1.770	50	70		GDIARN
Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cn1	ZINC000218312162	570331069	/nfs/dbraw/zinc/33/10/69/570331069.db2.gz	RTCICQWISQXXNU-FZMZJTMJSA-N	0	0	377.470	1.815	50	70		GDIARN
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218019782	222584711	/nfs/dbraw/zinc/58/47/11/222584711.db2.gz	GZTGSCKDSDUNTC-NSHDSACASA-N	0	0	389.360	1.333	50	70	biogenic	GDIARN
Cn1c(CNC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)nc2ccccc21	ZINC000217476457	208827418	/nfs/dbraw/zinc/82/74/18/208827418.db2.gz	QRJNGVXCAOEVFY-GOSISDBHSA-N	0	0	394.410	1.968	50	70		GDIARN
CN1C(=O)N(C(C)(C)C)[C@@H]2O[C@H]([C@H]3O[C@@H]4[C@H](O3)N(C)C(=O)N4C(C)(C)C)O[C@H]21	ZINC000217579839	570318540	/nfs/dbraw/zinc/31/85/40/570318540.db2.gz	MJSSPZRFJYPVJP-KLVXDSBYSA-N	0	0	398.460	1.368	50	70		GDIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1	ZINC000218409223	570333685	/nfs/dbraw/zinc/33/36/85/570333685.db2.gz	OGPNXISZCDTDSN-SJORKVTESA-N	0	0	388.493	1.420	50	70		GDIARN
Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)N1CCN(S(=O)(=O)C(C)C)CC1	ZINC000218568853	570928457	/nfs/dbraw/zinc/92/84/57/570928457.db2.gz	HAHUKHWOZPKARC-UHFFFAOYSA-N	0	0	395.525	1.371	50	70		GDIARN
Cc1ncsc1-c1nc(CS(=O)(=O)CC(=O)NC2CCCCC2)no1	ZINC000159414313	530542954	/nfs/dbraw/zinc/54/29/54/530542954.db2.gz	GAKOGWGVMPWACK-UHFFFAOYSA-N	0	0	384.483	1.865	50	70		GDIARN
Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cn1	ZINC000218312109	208834502	/nfs/dbraw/zinc/83/45/02/208834502.db2.gz	RTCICQWISQXXNU-SMDDNHRTSA-N	0	0	377.470	1.815	50	70		GDIARN
Cn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2nc3ccc(Cl)cn3c2F)C1	ZINC000218289296	570330077	/nfs/dbraw/zinc/33/00/77/570330077.db2.gz	ANWPPXXPKGMBRN-CZMCAQCFSA-N	0	0	378.795	1.424	50	70		GDIARN
COCCn1c(C)cc(C)c(C(=O)NCCOc2ccc3c(c2)OCO3)c1=O	ZINC000218528456	570336372	/nfs/dbraw/zinc/33/63/72/570336372.db2.gz	DFZBCOXFOMUONU-UHFFFAOYSA-N	0	0	388.420	1.649	50	70		GDIARN
CN(C)[C@@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2	ZINC000218599812	570337386	/nfs/dbraw/zinc/33/73/86/570337386.db2.gz	HWWZFEHVJVPRSJ-GOSISDBHSA-N	0	0	380.408	1.310	50	70		GDIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccnc3C)C2=O)cc1	ZINC000218603298	570337914	/nfs/dbraw/zinc/33/79/14/570337914.db2.gz	HOTIXZMWSHBNOR-INIZCTEOSA-N	0	0	385.424	1.222	50	70		GDIARN
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](Cc1ccncc1)C1CC(O)C1	ZINC000218661748	570338646	/nfs/dbraw/zinc/33/86/46/570338646.db2.gz	NNZIJGPJSSMJSO-JXQTWKCFSA-N	0	0	384.889	1.437	50	70		GDIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccc(Cl)s3)CC2)cn1	ZINC000217969164	531027281	/nfs/dbraw/zinc/02/72/81/531027281.db2.gz	NPOIVYLAJQNPLY-UHFFFAOYSA-N	0	0	388.902	1.672	50	70		GDIARN
COC(=O)C[C@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218324799	208836989	/nfs/dbraw/zinc/83/69/89/208836989.db2.gz	PEOWYXUBLSBJCI-CQSZACIVSA-N	0	0	379.434	1.934	50	70		GDIARN
Cc1cc(OC2CN(S(=O)(=O)CCCOc3ccccc3)C2)cc(=O)o1	ZINC000217753671	518187749	/nfs/dbraw/zinc/18/77/49/518187749.db2.gz	RPAMDOPIGYSDFD-UHFFFAOYSA-N	0	0	379.434	1.810	50	70		GDIARN
CS(=O)(=O)c1ccc(C2(C(=O)NCCSc3c[nH]nn3)CCC2)cc1	ZINC000218284892	570329859	/nfs/dbraw/zinc/32/98/59/570329859.db2.gz	HLWDZXJRCBWCEA-UHFFFAOYSA-N	0	0	380.495	1.538	50	70		GDIARN
Cc1cc(C)n(CCNC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1	ZINC000218549573	570336497	/nfs/dbraw/zinc/33/64/97/570336497.db2.gz	ZUMHQIHLNHBKFD-KRWDZBQOSA-N	0	0	383.452	1.169	50	70		GDIARN
CSc1ncccc1C(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1	ZINC000217696000	208829695	/nfs/dbraw/zinc/82/96/95/208829695.db2.gz	HTJOPTVLIURDAS-UHFFFAOYSA-N	0	0	380.495	1.616	50	70		GDIARN
COc1cc2ncn(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2cc1OC	ZINC000217785040	208830217	/nfs/dbraw/zinc/83/02/17/208830217.db2.gz	NULZKFVOHQAZNM-HNNXBMFYSA-N	0	0	397.431	1.134	50	70	biogenic	GDIARN
O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1ccc2[nH]ccc2c1	ZINC000218280183	208834921	/nfs/dbraw/zinc/83/49/21/208834921.db2.gz	XTDQBIJWJZCHOL-UHFFFAOYSA-N	0	0	383.404	1.971	50	70		GDIARN
O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1	ZINC000218666111	208838390	/nfs/dbraw/zinc/83/83/90/208838390.db2.gz	AMKJQTUVCCMNAT-WOJBJXKFSA-N	0	0	395.459	1.918	50	70		GDIARN
O=C(CNC(=O)OCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217615170	136203288	/nfs/dbraw/zinc/20/32/88/136203288.db2.gz	KJJPJTRYJFISAX-UHFFFAOYSA-N	0	0	397.435	1.082	50	70		GDIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)n1	ZINC000218125236	570325713	/nfs/dbraw/zinc/32/57/13/570325713.db2.gz	RWOMETWJLBVGQO-IBGZPJMESA-N	0	0	383.496	1.565	50	70		GDIARN
Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(CN3CCCC3)s2)C1	ZINC000218261971	570329254	/nfs/dbraw/zinc/32/92/54/570329254.db2.gz	MAOHKMBWLLSSNA-TXEJJXNPSA-N	0	0	376.486	1.036	50	70		GDIARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)cc1	ZINC000218519254	570335985	/nfs/dbraw/zinc/33/59/85/570335985.db2.gz	XSLJEPBJJUKCTE-HNNXBMFYSA-N	0	0	380.466	1.170	50	70		GDIARN
Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)s1	ZINC000217697133	531027161	/nfs/dbraw/zinc/02/71/61/531027161.db2.gz	ONBNXWRBXYJNKV-UHFFFAOYSA-N	0	0	389.524	1.417	50	70		GDIARN
COc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1Cl	ZINC000217788802	531027507	/nfs/dbraw/zinc/02/75/07/531027507.db2.gz	UZJMGLNXUYFMKZ-SECBINFHSA-N	0	0	390.870	1.807	50	70		GDIARN
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCCn2nc(CO)cc2C1	ZINC000216909248	208824473	/nfs/dbraw/zinc/82/44/73/208824473.db2.gz	UWTWEQCZSGOKEQ-UHFFFAOYSA-N	0	0	377.754	1.827	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@H](c2ccccc2)C1	ZINC000218357690	570332889	/nfs/dbraw/zinc/33/28/89/570332889.db2.gz	UHZXXOZOYMWQQH-IRXDYDNUSA-N	0	0	383.404	1.690	50	70		GDIARN
CN(CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)Cc1ccncc1	ZINC000218608374	570337938	/nfs/dbraw/zinc/33/79/38/570337938.db2.gz	WSQPSGCBKRTOAR-IAGOWNOFSA-N	0	0	376.482	1.460	50	70		GDIARN
CCn1nc(C)cc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1	ZINC000218748670	570340338	/nfs/dbraw/zinc/34/03/38/570340338.db2.gz	VKSUENVNYRQLFC-SJORKVTESA-N	0	0	379.482	1.864	50	70		GDIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3ccccn3)C2=O)cc1	ZINC000218478442	570903092	/nfs/dbraw/zinc/90/30/92/570903092.db2.gz	AUSLKERHCBSVKP-KRWDZBQOSA-N	0	0	382.420	1.654	50	70		GDIARN
COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1	ZINC000217560223	531027454	/nfs/dbraw/zinc/02/74/54/531027454.db2.gz	FSXGQWRJHWGBTG-CQSZACIVSA-N	0	0	385.507	1.530	50	70		GDIARN
CCc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)s1	ZINC000217738939	208830245	/nfs/dbraw/zinc/83/02/45/208830245.db2.gz	QEIZGPJZMJKGFQ-OKILXGFUSA-N	0	0	380.491	1.635	50	70		GDIARN
COc1ccc(Br)cc1CCC(=O)N1CC(N2C(=O)CCC2=O)C1	ZINC000217716158	208830310	/nfs/dbraw/zinc/83/03/10/208830310.db2.gz	LVIVECOZVGIELF-UHFFFAOYSA-N	0	0	395.253	1.750	50	70		GDIARN
O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc32)C1	ZINC000217790389	208831325	/nfs/dbraw/zinc/83/13/25/208831325.db2.gz	MDPUPAGODNNVJM-GFCCVEGCSA-N	0	0	377.447	1.693	50	70		GDIARN
O=C(N[C@@H]1CCOC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1	ZINC000218690670	208837428	/nfs/dbraw/zinc/83/74/28/208837428.db2.gz	SIQVGTVHIIFTHO-IAGOWNOFSA-N	0	0	375.446	1.540	50	70		GDIARN
COc1ccc([C@H](NC(=O)c2[nH]c(=O)nc3ccccc32)C2CC(O)C2)cn1	ZINC000218287542	570330138	/nfs/dbraw/zinc/33/01/38/570330138.db2.gz	JZOHJVFTWSIRNI-FVKWTLKZSA-N	0	0	380.404	1.569	50	70		GDIARN
Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1	ZINC000218307173	570330903	/nfs/dbraw/zinc/33/09/03/570330903.db2.gz	LUEVQLWKZTZJOA-YGRLFVJLSA-N	0	0	377.470	1.815	50	70		GDIARN
COc1ccc(N2C[C@@H](C(=O)N[C@H](CO)CCSC)CC2=O)c(OC)c1	ZINC000218352260	570332528	/nfs/dbraw/zinc/33/25/28/570332528.db2.gz	STVUFJSXFPFDHO-STQMWFEESA-N	0	0	382.482	1.287	50	70		GDIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3CCCC3)C2=O)cc1OC	ZINC000217888056	570477009	/nfs/dbraw/zinc/47/70/09/570477009.db2.gz	LSDVDWWYBZWIGD-HNNXBMFYSA-N	0	0	389.452	1.569	50	70	biogenic	GDIARN
O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1	ZINC000217750231	531027434	/nfs/dbraw/zinc/02/74/34/531027434.db2.gz	LVYFRALCQUHMKO-UHFFFAOYSA-N	0	0	380.369	1.774	50	70		GDIARN
O=C(/C=C/c1ccc2c(c1)OCO2)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217724116	208830342	/nfs/dbraw/zinc/83/03/42/208830342.db2.gz	XMIJMVVJESPKCO-OHOWAWRESA-N	0	0	380.400	1.591	50	70		GDIARN
COc1ccc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c(C)c1	ZINC000218185610	208834802	/nfs/dbraw/zinc/83/48/02/208834802.db2.gz	SJPODHZFXCWAGY-GOSISDBHSA-N	0	0	379.482	1.294	50	70		GDIARN
O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000218341379	208836803	/nfs/dbraw/zinc/83/68/03/208836803.db2.gz	FTYCTWOINGVFCU-NVXWUHKLSA-N	0	0	382.416	1.661	50	70		GDIARN
Cn1ccn2ncc(C(=O)N3CCn4nc([C@@H](O)c5ccccc5)cc4C3)c12	ZINC000218740860	208838319	/nfs/dbraw/zinc/83/83/19/208838319.db2.gz	UJLZXESMKQXKBT-SFHVURJKSA-N	0	0	376.420	1.607	50	70		GDIARN
C[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2	ZINC000217416976	570315764	/nfs/dbraw/zinc/31/57/64/570315764.db2.gz	PSWPMUVWOSIVLZ-NSHDSACASA-N	0	0	376.438	1.026	50	70		GDIARN
Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCC3)C2	ZINC000218033942	570324385	/nfs/dbraw/zinc/32/43/85/570324385.db2.gz	PMIPMOOILPLCBE-IBGZPJMESA-N	0	0	377.448	1.843	50	70		GDIARN
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1	ZINC000217739926	570418522	/nfs/dbraw/zinc/41/85/22/570418522.db2.gz	ZNCLABZBPPSEAR-CHWSQXEVSA-N	0	0	398.843	1.803	50	70		GDIARN
Cc1cc(F)ccc1S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217615716	136203343	/nfs/dbraw/zinc/20/33/43/136203343.db2.gz	WODCOYADFNKCTO-UHFFFAOYSA-N	0	0	378.429	1.465	50	70		GDIARN
CSCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000218301623	570330785	/nfs/dbraw/zinc/33/07/85/570330785.db2.gz	IXFIHWRPDKBTRF-STQMWFEESA-N	0	0	380.466	1.041	50	70		GDIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccnc3)C2=O)cc1	ZINC000218316657	570331205	/nfs/dbraw/zinc/33/12/05/570331205.db2.gz	MRQJDYAOBBOZCZ-KRWDZBQOSA-N	0	0	382.420	1.972	50	70		GDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(C(F)(F)F)cc1	ZINC000218389364	570333372	/nfs/dbraw/zinc/33/33/72/570333372.db2.gz	ZBOFBUVEEJIBHQ-LLVKDONJSA-N	0	0	385.342	1.835	50	70		GDIARN
COCCn1nnc2ccc(NC(=O)Cc3ccc4c(c3)OCC4)cc2c1=O	ZINC000218411640	570333648	/nfs/dbraw/zinc/33/36/48/570333648.db2.gz	PHKZSRYXNXEQFH-UHFFFAOYSA-N	0	0	380.404	1.554	50	70		GDIARN
COCCn1c(C)cc(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O	ZINC000218443671	570334616	/nfs/dbraw/zinc/33/46/16/570334616.db2.gz	YSOPOMLNEWQOAL-UHFFFAOYSA-N	0	0	387.436	1.303	50	70		GDIARN
COCCn1c(C)cc(C)c(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)c1=O	ZINC000218468661	570334879	/nfs/dbraw/zinc/33/48/79/570334879.db2.gz	DJHIQIAJWRIDMG-UHFFFAOYSA-N	0	0	382.420	1.611	50	70		GDIARN
O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1COCC[C@@H]1OCc1cscn1	ZINC000218482414	570335098	/nfs/dbraw/zinc/33/50/98/570335098.db2.gz	FEIQRVIJVPWUDW-CABCVRRESA-N	0	0	376.434	1.905	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCc3cccn3C)CS[C@@H]21	ZINC000218486619	570335282	/nfs/dbraw/zinc/33/52/82/570335282.db2.gz	OOAQTPKRXFOVOC-YJYMSZOUSA-N	0	0	387.461	1.929	50	70		GDIARN
COCCn1c(C)cc(C)c(C(=O)Nc2nc(C)c(C(=O)OC)s2)c1=O	ZINC000218569910	570336899	/nfs/dbraw/zinc/33/68/99/570336899.db2.gz	GOSQRNMXDGBUCO-UHFFFAOYSA-N	0	0	379.438	1.915	50	70		GDIARN
C[C@H]1CN(C(=O)c2c[nH]c3cc(N4CCOCC4)c(F)cc3c2=O)CCN1C	ZINC000216955894	570310209	/nfs/dbraw/zinc/31/02/09/570310209.db2.gz	QORUDNVZPULNHG-ZDUSSCGKSA-N	0	0	388.443	1.280	50	70		GDIARN
NC(=O)Cc1nc([C@@H]2Cc3ccccc3O2)n(Cc2ccc3c(c2)OCO3)n1	ZINC000217510471	570317269	/nfs/dbraw/zinc/31/72/69/570317269.db2.gz	GWVFSJMXUNPDKR-KRWDZBQOSA-N	0	0	378.388	1.759	50	70		GDIARN
COc1c(Cl)cc(Cl)cc1C(=O)N[C@@H]1COCC[C@@H]1OCC(N)=O	ZINC000218417238	570333745	/nfs/dbraw/zinc/33/37/45/570333745.db2.gz	KMTDEHJOWYBNTD-NEPJUHHUSA-N	0	0	377.224	1.391	50	70		GDIARN
COc1ccc([C@@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)C2CC(O)C2)cn1	ZINC000218269125	570329493	/nfs/dbraw/zinc/32/94/93/570329493.db2.gz	JDDTVAJIEUABPC-PWGQDJSOSA-N	0	0	388.449	1.757	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3cccn3C)CS[C@@H]21	ZINC000218486762	570335197	/nfs/dbraw/zinc/33/51/97/570335197.db2.gz	OOAQTPKRXFOVOC-DJJJIMSYSA-N	0	0	387.461	1.929	50	70		GDIARN
CN(C)[C@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccc2c(c1)OCO2	ZINC000218599887	570337458	/nfs/dbraw/zinc/33/74/58/570337458.db2.gz	HWWZFEHVJVPRSJ-SFHVURJKSA-N	0	0	380.408	1.310	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCC1CCOCC1	ZINC000217648978	570418426	/nfs/dbraw/zinc/41/84/26/570418426.db2.gz	VTSOUIXXQKMCSH-SFHVURJKSA-N	0	0	398.463	1.564	50	70	biogenic	GDIARN
O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCCCCc1nnc2ccccn21	ZINC000218417948	208835883	/nfs/dbraw/zinc/83/58/83/208835883.db2.gz	NRSXBTKWPCVBOJ-UHFFFAOYSA-N	0	0	397.479	1.878	50	70		GDIARN
Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1	ZINC000218690762	208838046	/nfs/dbraw/zinc/83/80/46/208838046.db2.gz	NTVSZXCQBYTBIP-HUUCEWRRSA-N	0	0	377.470	1.412	50	70		GDIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(C2CCCCC2)[nH]1	ZINC000217668723	570320144	/nfs/dbraw/zinc/32/01/44/570320144.db2.gz	YAZUYKINOCVCME-AWEZNQCLSA-N	0	0	382.424	1.932	50	70	biogenic	GDIARN
COc1cn(CC(=O)Nc2cccc(C(=O)c3nccn3C)c2)c(C)cc1=O	ZINC000218316247	570331172	/nfs/dbraw/zinc/33/11/72/570331172.db2.gz	MUWDAWGGFMFKPB-UHFFFAOYSA-N	0	0	380.404	1.769	50	70		GDIARN
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCN1CCOCC1	ZINC000218600893	570337449	/nfs/dbraw/zinc/33/74/49/570337449.db2.gz	MJGYQPZDBGYDPL-MAUKXSAKSA-N	0	0	375.494	1.483	50	70		GDIARN
COc1ccc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)c(C)c1	ZINC000218185548	570327169	/nfs/dbraw/zinc/32/71/69/570327169.db2.gz	SJPODHZFXCWAGY-SFHVURJKSA-N	0	0	379.482	1.294	50	70		GDIARN
COc1ccc(N2C[C@H](C(=O)N[C@H](CO)CCSC)CC2=O)c(OC)c1	ZINC000218352190	570332476	/nfs/dbraw/zinc/33/24/76/570332476.db2.gz	STVUFJSXFPFDHO-OLZOCXBDSA-N	0	0	382.482	1.287	50	70		GDIARN
CC(C)c1nnc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)[nH]1	ZINC000218251616	570818509	/nfs/dbraw/zinc/81/85/09/570818509.db2.gz	LECVAGZSMVLQIW-AWEZNQCLSA-N	0	0	384.440	1.810	50	70		GDIARN
CCOc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1C	ZINC000217788381	531027196	/nfs/dbraw/zinc/02/71/96/531027196.db2.gz	TXCHIXKVRFJRNV-GFCCVEGCSA-N	0	0	384.479	1.852	50	70		GDIARN
CCc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)s1	ZINC000217739036	531027278	/nfs/dbraw/zinc/02/72/78/531027278.db2.gz	QEIZGPJZMJKGFQ-KBPBESRZSA-N	0	0	380.491	1.635	50	70		GDIARN
Cc1c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc2c3c(c(=O)oc12)CCC3	ZINC000218246923	211757898	/nfs/dbraw/zinc/75/78/98/211757898.db2.gz	JYJIQUVHEZFYEB-LBPRGKRZSA-N	0	0	391.445	1.272	50	70		GDIARN
Cc1cc(C)c(S(=O)(=O)N2CCn3nc([C@@H](C)O)cc3C2)c2nonc21	ZINC000217434345	570316231	/nfs/dbraw/zinc/31/62/31/570316231.db2.gz	LACMBCBFBIRQCC-LLVKDONJSA-N	0	0	377.426	1.294	50	70		GDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccncc3)C2=O)cc1OC	ZINC000218244106	570328792	/nfs/dbraw/zinc/32/87/92/570328792.db2.gz	DWLYVRLMYYQUAV-HNNXBMFYSA-N	0	0	398.419	1.591	50	70		GDIARN
Cc1cc(O)cc(=O)n1CCC(=O)NCCCCCc1nnc2ccccn21	ZINC000218415669	570333823	/nfs/dbraw/zinc/33/38/23/570333823.db2.gz	DHXAMLKVMKETIP-UHFFFAOYSA-N	0	0	383.452	1.824	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCn1ccnc1	ZINC000218558970	570336550	/nfs/dbraw/zinc/33/65/50/570336550.db2.gz	DHHHIYPKCRGBJT-AWEZNQCLSA-N	0	0	375.816	1.163	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)NCC1CCOCC1	ZINC000218060926	209185020	/nfs/dbraw/zinc/18/50/20/209185020.db2.gz	BZGYMBVHMRSPOC-BFUOFWGJSA-N	0	0	392.477	1.816	50	70	biogenic	GDIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(CC(N)=O)c1	ZINC000218193393	211757444	/nfs/dbraw/zinc/75/74/44/211757444.db2.gz	WZILIBKOGATGII-OAHLLOKOSA-N	0	0	384.388	1.972	50	70		GDIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCCC3)C2=O)cc1OC	ZINC000217695339	211750330	/nfs/dbraw/zinc/75/03/30/211750330.db2.gz	PPUNRECTZIIZJH-AWEZNQCLSA-N	0	0	375.425	1.179	50	70	biogenic	GDIARN
COc1ccc(F)cc1S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217616164	136203309	/nfs/dbraw/zinc/20/33/09/136203309.db2.gz	FLWRMPQDLZLGPZ-UHFFFAOYSA-N	0	0	394.428	1.165	50	70		GDIARN
COc1ccc([C@H](NS(=O)(=O)c2ccc3[nH]cnc3c2)C2CC(O)C2)cn1	ZINC000218269181	570329473	/nfs/dbraw/zinc/32/94/73/570329473.db2.gz	JDDTVAJIEUABPC-KJBLDROHSA-N	0	0	388.449	1.757	50	70		GDIARN
O=C(Cn1cnc2ccsc2c1=O)N1CCN(CCc2ccccn2)CC1	ZINC000218311599	570330643	/nfs/dbraw/zinc/33/06/43/570330643.db2.gz	MBRCVKSDHFSHNQ-UHFFFAOYSA-N	0	0	383.477	1.240	50	70		GDIARN
CC(C)Cc1nnc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)[nH]1	ZINC000218400084	570333360	/nfs/dbraw/zinc/33/33/60/570333360.db2.gz	ZPVUTGNJEVQHHF-AWEZNQCLSA-N	0	0	384.440	1.843	50	70		GDIARN
Cn1ccn2ncc(C(=O)N3CCn4nc([C@H](O)c5ccccc5)cc4C3)c12	ZINC000218740915	570339983	/nfs/dbraw/zinc/33/99/83/570339983.db2.gz	UJLZXESMKQXKBT-GOSISDBHSA-N	0	0	376.420	1.607	50	70		GDIARN
C[C@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1	ZINC000218003471	570537606	/nfs/dbraw/zinc/53/76/06/570537606.db2.gz	MEZOJEZPTITGPK-NRFANRHFSA-N	0	0	396.399	1.802	50	70		GDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O	ZINC000218223552	570817403	/nfs/dbraw/zinc/81/74/03/570817403.db2.gz	GUCVUFLGYKMFSD-BYCMXARLSA-N	0	0	381.860	1.674	50	70		GDIARN
O=C(c1ccc(Br)o1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217731833	531027081	/nfs/dbraw/zinc/02/70/81/531027081.db2.gz	IRSHLSDSSARCDI-PHIMTYICSA-N	0	0	379.210	1.818	50	70		GDIARN
COc1ccc(-c2nnc3sc([C@H]4CCS(=O)(=O)C4)nn32)cc1OC	ZINC000218136948	531027858	/nfs/dbraw/zinc/02/78/58/531027858.db2.gz	BZZSPZLUZSNQSP-JTQLQIEISA-N	0	0	380.451	1.772	50	70		GDIARN
NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c1	ZINC000218754532	211763573	/nfs/dbraw/zinc/76/35/73/211763573.db2.gz	LZCBPKKGLORCDY-IEAZIUSSSA-N	0	0	382.457	1.797	50	70		GDIARN
COC(=O)C[C@@H](c1ccsc1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218324867	211758473	/nfs/dbraw/zinc/75/84/73/211758473.db2.gz	PEOWYXUBLSBJCI-AWEZNQCLSA-N	0	0	379.434	1.934	50	70		GDIARN
O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CC(N2C(=O)CSC2=O)C1	ZINC000217747879	211752895	/nfs/dbraw/zinc/75/28/95/211752895.db2.gz	SOODDUHAGFXIDC-CYBMUJFWSA-N	0	0	386.433	1.703	50	70		GDIARN
CNC(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1	ZINC000217903491	570322381	/nfs/dbraw/zinc/32/23/81/570322381.db2.gz	IHTUPGAWIWPPFX-INIZCTEOSA-N	0	0	380.404	1.516	50	70	biogenic	GDIARN
COc1ccccc1-c1nc(NC(=O)Cn2cnc3ccsc3c2=O)n[nH]1	ZINC000218323476	570331276	/nfs/dbraw/zinc/33/12/76/570331276.db2.gz	RFLCTPRVFWHOFR-UHFFFAOYSA-N	0	0	382.405	1.890	50	70		GDIARN
O=C(c1cncc(Br)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217730518	531027303	/nfs/dbraw/zinc/02/73/03/531027303.db2.gz	JGUNPJOIGOSTHK-KBPBESRZSA-N	0	0	390.237	1.620	50	70		GDIARN
Cn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217729024	211750222	/nfs/dbraw/zinc/75/02/22/211750222.db2.gz	XQPYWKJRFGIIFN-CALCHBBNSA-N	0	0	390.443	1.863	50	70		GDIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)NC(=O)CO2	ZINC000217602516	211749227	/nfs/dbraw/zinc/74/92/27/211749227.db2.gz	PYJHHQJSOJSMKP-AWEZNQCLSA-N	0	0	394.387	1.487	50	70	biogenic	GDIARN
CO[C@H]1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1cccc(C(=O)N3CCCC3)c1)C2	ZINC000217200081	570313497	/nfs/dbraw/zinc/31/34/97/570313497.db2.gz	DASHCRJVIHDTRL-VQFNDLOPSA-N	0	0	378.494	1.968	50	70		GDIARN
CC(C)c1noc(CCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1	ZINC000217672588	570320365	/nfs/dbraw/zinc/32/03/65/570320365.db2.gz	JHEBWUDXXAGBQP-HNNXBMFYSA-N	0	0	399.451	1.773	50	70	biogenic	GDIARN
COc1ccc(S(=O)(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1C	ZINC000217616050	136203324	/nfs/dbraw/zinc/20/33/24/136203324.db2.gz	WPWCDHACDVKOLW-UHFFFAOYSA-N	0	0	390.465	1.335	50	70		GDIARN
Cc1cc(C)c(S(=O)(=O)N2CCCn3nc(CO)cc3C2)c2nonc21	ZINC000217542983	570318093	/nfs/dbraw/zinc/31/80/93/570318093.db2.gz	YGERVCSOPOLLMR-UHFFFAOYSA-N	0	0	377.426	1.123	50	70		GDIARN
O=C(c1cccs1)N1CCC(N2CCn3nc([C@H](O)CO)cc3C2)CC1	ZINC000217905787	570322460	/nfs/dbraw/zinc/32/24/60/570322460.db2.gz	SZOMDHDHQIBUJW-MRXNPFEDSA-N	0	0	376.482	1.091	50	70		GDIARN
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218100078	209184669	/nfs/dbraw/zinc/18/46/69/209184669.db2.gz	SKNZMPJYSNTCCB-JTQLQIEISA-N	0	0	375.333	1.291	50	70	biogenic	GDIARN
Cc1ccc(Cl)cc1S(=O)(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	ZINC000217739657	211753291	/nfs/dbraw/zinc/75/32/91/211753291.db2.gz	SUUPTJOJALOFNJ-HUUCEWRRSA-N	0	0	394.880	1.973	50	70		GDIARN
CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O	ZINC000218311070	570330666	/nfs/dbraw/zinc/33/06/66/570330666.db2.gz	HCCFPYNEQOYOSC-KBPBESRZSA-N	0	0	399.900	1.381	50	70		GDIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1	ZINC000218573466	570337062	/nfs/dbraw/zinc/33/70/62/570337062.db2.gz	PCMFYQAQHPWFOO-INIZCTEOSA-N	0	0	393.403	1.703	50	70		GDIARN
COc1c2c(c(S(=O)(=O)N3CCCCCC3)c3c1C(=O)N(C)CC3)OCO2	ZINC000217957533	209183826	/nfs/dbraw/zinc/18/38/26/209183826.db2.gz	QSVYKVLMOAXRAM-UHFFFAOYSA-N	0	0	396.465	1.617	50	70	biogenic	GDIARN
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	ZINC000217870099	211753656	/nfs/dbraw/zinc/75/36/56/211753656.db2.gz	CROKULRAQZCUKQ-OALUTQOASA-N	0	0	395.459	1.259	50	70	biogenic	GDIARN
Cn1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1	ZINC000218307281	570330702	/nfs/dbraw/zinc/33/07/02/570330702.db2.gz	LUEVQLWKZTZJOA-HZMBPMFUSA-N	0	0	377.470	1.815	50	70		GDIARN
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1Cc2ccccc21	ZINC000160980297	530556722	/nfs/dbraw/zinc/55/67/22/530556722.db2.gz	ZFBWHJCLDYVQFB-LBPRGKRZSA-N	0	0	380.853	1.822	50	70		GDIARN
COC[C@@H]1[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)[C@@H]2CCO[C@H]12	ZINC000218589052	211761702	/nfs/dbraw/zinc/76/17/02/211761702.db2.gz	RHXLOQJXPQZRIV-YENGBRFLSA-N	0	0	378.450	1.577	50	70		GDIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	ZINC000217915361	211755682	/nfs/dbraw/zinc/75/56/82/211755682.db2.gz	WFHUWNYKIFEIHU-OALUTQOASA-N	0	0	395.459	1.607	50	70	biogenic	GDIARN
O=S(=O)(c1ccc(F)c(Cl)c1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217616387	136203307	/nfs/dbraw/zinc/20/33/07/136203307.db2.gz	SPVISLSSWDYMSN-UHFFFAOYSA-N	0	0	398.847	1.810	50	70		GDIARN
COc1c2ccc(C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)cc2nn1C	ZINC000217610980	136203323	/nfs/dbraw/zinc/20/33/23/136203323.db2.gz	CBBHLIPSANYCRN-UHFFFAOYSA-N	0	0	394.435	1.365	50	70		GDIARN
C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2	ZINC000217416902	570315892	/nfs/dbraw/zinc/31/58/92/570315892.db2.gz	PSWPMUVWOSIVLZ-LLVKDONJSA-N	0	0	376.438	1.026	50	70		GDIARN
CC(C)Cc1nnc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)[nH]1	ZINC000218287690	570330010	/nfs/dbraw/zinc/33/00/10/570330010.db2.gz	XDPFBRAGQDVFCK-HNNXBMFYSA-N	0	0	398.467	1.885	50	70		GDIARN
CCOc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1C	ZINC000217788305	531027227	/nfs/dbraw/zinc/02/72/27/531027227.db2.gz	TXCHIXKVRFJRNV-LBPRGKRZSA-N	0	0	384.479	1.852	50	70		GDIARN
O=S(=O)(NCC[C@H](O)C1CCOCC1)c1ccccc1Br	ZINC000217925835	531027546	/nfs/dbraw/zinc/02/75/46/531027546.db2.gz	PYTIMBRWYSPUAJ-ZDUSSCGKSA-N	0	0	378.288	1.905	50	70		GDIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)n1	ZINC000218409380	211759347	/nfs/dbraw/zinc/75/93/47/211759347.db2.gz	OGPNXISZCDTDSN-IRXDYDNUSA-N	0	0	388.493	1.420	50	70		GDIARN
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)CCSC)C=C2	ZINC000217899294	211754457	/nfs/dbraw/zinc/75/44/57/211754457.db2.gz	DWJCSTFJLXGJKB-HNNXBMFYSA-N	0	0	394.493	1.289	50	70	biogenic	GDIARN
COc1cc2ncn(CC(=O)N[C@H](CO)c3ccccc3)c(=O)c2cc1OC	ZINC000217817310	211752597	/nfs/dbraw/zinc/75/25/97/211752597.db2.gz	FWZXRVUTBBJLHT-MRXNPFEDSA-N	0	0	383.404	1.264	50	70	biogenic	GDIARN
Cn1c(CNC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)nc2ccccc21	ZINC000217476394	211748823	/nfs/dbraw/zinc/74/88/23/211748823.db2.gz	QRJNGVXCAOEVFY-SFHVURJKSA-N	0	0	394.410	1.968	50	70		GDIARN
Cc1ccc(S(=O)(=O)CCC(=O)N2CCn3nc([C@H](C)O)cc3C2)cc1	ZINC000217102489	570312955	/nfs/dbraw/zinc/31/29/55/570312955.db2.gz	VHTPZODGAKLVDY-AWEZNQCLSA-N	0	0	377.466	1.451	50	70		GDIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)OCC(=O)N2	ZINC000217806222	570321656	/nfs/dbraw/zinc/32/16/56/570321656.db2.gz	HMQDCMJMSPGHSJ-HNNXBMFYSA-N	0	0	394.387	1.487	50	70	biogenic	GDIARN
COc1ccc(Cc2nc(NC(=O)Cn3cc(OC)c(=O)cc3C)n[nH]2)cc1	ZINC000218183562	570327159	/nfs/dbraw/zinc/32/71/59/570327159.db2.gz	GRUOCTIXOYHUGQ-UHFFFAOYSA-N	0	0	383.408	1.522	50	70		GDIARN
O=C(NCCCCCc1nnc2ccccn21)c1ccccc1-n1cnnn1	ZINC000218528040	570336249	/nfs/dbraw/zinc/33/62/49/570336249.db2.gz	AYARDVRBGQJYPP-UHFFFAOYSA-N	0	0	376.424	1.848	50	70		GDIARN
CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCN1CCOCC1	ZINC000218600970	570337491	/nfs/dbraw/zinc/33/74/91/570337491.db2.gz	MJGYQPZDBGYDPL-YJBOKZPZSA-N	0	0	375.494	1.483	50	70		GDIARN
C[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2	ZINC000217073032	211747028	/nfs/dbraw/zinc/74/70/28/211747028.db2.gz	XMXKOYKOBBPKFI-NSHDSACASA-N	0	0	377.828	1.946	50	70		GDIARN
O=C(/C=C/c1ccc2c(c1)OCO2)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217609307	136203300	/nfs/dbraw/zinc/20/33/00/136203300.db2.gz	LNWFDKWWNMQJMV-DUXPYHPUSA-N	0	0	380.404	1.598	50	70		GDIARN
O=c1cc(CN2CCCCC2)oc(CN2CCN(c3cnccn3)CC2)c1O	ZINC000218544378	136203661	/nfs/dbraw/zinc/20/36/61/136203661.db2.gz	JFHIVLJYUFTIGP-UHFFFAOYSA-N	0	0	385.468	1.444	50	70		GDIARN
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1nc2ccccc2n1C	ZINC000216914269	570309562	/nfs/dbraw/zinc/30/95/62/570309562.db2.gz	HAIXJVUXEGTRTF-UHFFFAOYSA-N	0	0	388.449	1.202	50	70		GDIARN
Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cn1	ZINC000218312009	570331187	/nfs/dbraw/zinc/33/11/87/570331187.db2.gz	RTCICQWISQXXNU-BXUZGUMPSA-N	0	0	377.470	1.815	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000218357774	570332735	/nfs/dbraw/zinc/33/27/35/570332735.db2.gz	UHZXXOZOYMWQQH-DLBZAZTESA-N	0	0	383.404	1.690	50	70		GDIARN
O=C(N[C@@H]1COCC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1	ZINC000218575276	570337041	/nfs/dbraw/zinc/33/70/41/570337041.db2.gz	SCTYRPPAEMMCBO-IAGOWNOFSA-N	0	0	375.446	1.540	50	70		GDIARN
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1	ZINC000217739859	211752433	/nfs/dbraw/zinc/75/24/33/211752433.db2.gz	ZNCLABZBPPSEAR-STQMWFEESA-N	0	0	398.843	1.803	50	70		GDIARN
CCN(C)c1ccnc(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1	ZINC000217177998	570313489	/nfs/dbraw/zinc/31/34/89/570313489.db2.gz	FTANBJPZWRDCCJ-OAHLLOKOSA-N	0	0	381.488	1.690	50	70		GDIARN
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccc3c(c1)OCO3)C2	ZINC000218285817	570329886	/nfs/dbraw/zinc/32/98/86/570329886.db2.gz	JDCTUOXCKZANSU-HXUWFJFHSA-N	0	0	381.436	1.833	50	70		GDIARN
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218100005	209184483	/nfs/dbraw/zinc/18/44/83/209184483.db2.gz	SKNZMPJYSNTCCB-SNVBAGLBSA-N	0	0	375.333	1.291	50	70	biogenic	GDIARN
C[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	ZINC000218041464	209183903	/nfs/dbraw/zinc/18/39/03/209183903.db2.gz	MEBKTLLOZATATA-MEDUHNTESA-N	0	0	377.404	1.881	50	70	biogenic	GDIARN
Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)n1C	ZINC000217774326	211753632	/nfs/dbraw/zinc/75/36/32/211753632.db2.gz	VOAIMZDKQMEUIK-CYBMUJFWSA-N	0	0	384.404	1.814	50	70		GDIARN
O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1N1CCC(=O)NC1=O	ZINC000216949658	570310297	/nfs/dbraw/zinc/31/02/97/570310297.db2.gz	LUIOCYQVPMQLFN-ZDUSSCGKSA-N	0	0	381.388	1.703	50	70		GDIARN
CC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	ZINC000218234214	570328726	/nfs/dbraw/zinc/32/87/26/570328726.db2.gz	JTWUCTPVQBAHPG-LJQANCHMSA-N	0	0	381.480	1.807	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3cccn3C)CS[C@H]21	ZINC000218486683	570335296	/nfs/dbraw/zinc/33/52/96/570335296.db2.gz	OOAQTPKRXFOVOC-ORAYPTAESA-N	0	0	387.461	1.929	50	70		GDIARN
CC(C)c1nnc(NC(=O)Cn2ccc3c2cccc3NS(C)(=O)=O)[nH]1	ZINC000218601697	570337285	/nfs/dbraw/zinc/33/72/85/570337285.db2.gz	XSHIPNIXSQNVEL-UHFFFAOYSA-N	0	0	376.442	1.893	50	70		GDIARN
COCCn1c(CNC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc21	ZINC000218233764	211756252	/nfs/dbraw/zinc/75/62/52/211756252.db2.gz	QUYZBKVNYSRUDI-UHFFFAOYSA-N	0	0	392.419	1.104	50	70		GDIARN
Cc1cn2nnc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2c(=O)[nH]1	ZINC000217473794	211749720	/nfs/dbraw/zinc/74/97/20/211749720.db2.gz	AQKKCFUFQKQUPG-UHFFFAOYSA-N	0	0	378.348	1.824	50	70		GDIARN
Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1	ZINC000217488429	211749830	/nfs/dbraw/zinc/74/98/30/211749830.db2.gz	SFPRKJCOESMRNC-MRXNPFEDSA-N	0	0	391.516	1.049	50	70		GDIARN
O=C(Cn1ccc(=O)c2ccccc21)NC[C@H]1CCCN(c2ncccn2)C1	ZINC000218458997	136203666	/nfs/dbraw/zinc/20/36/66/136203666.db2.gz	ULZKRASKECDRBH-MRXNPFEDSA-N	0	0	377.448	1.824	50	70		GDIARN
COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCCC2	ZINC000218146760	570326285	/nfs/dbraw/zinc/32/62/85/570326285.db2.gz	LIVRPLUAEPJVPW-SFHVURJKSA-N	0	0	383.448	1.413	50	70		GDIARN
C[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn21	ZINC000218350833	570331964	/nfs/dbraw/zinc/33/19/64/570331964.db2.gz	PCEAKJLIMMMQEZ-JSGCOSHPSA-N	0	0	396.407	1.400	50	70		GDIARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)cc1	ZINC000218519336	570335916	/nfs/dbraw/zinc/33/59/16/570335916.db2.gz	XSLJEPBJJUKCTE-OAHLLOKOSA-N	0	0	380.466	1.170	50	70		GDIARN
CC(C)C[C@@H](CO)NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C	ZINC000160683444	530553521	/nfs/dbraw/zinc/55/35/21/530553521.db2.gz	HGSMVPFJAUAZPK-JTQLQIEISA-N	0	0	384.274	1.776	50	70		GDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1	ZINC000217733399	211750639	/nfs/dbraw/zinc/75/06/39/211750639.db2.gz	JRIDDBGLPCCNJF-JKSUJKDBSA-N	0	0	377.441	1.029	50	70	biogenic	GDIARN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1	ZINC000218409313	570333616	/nfs/dbraw/zinc/33/36/16/570333616.db2.gz	OGPNXISZCDTDSN-IAGOWNOFSA-N	0	0	388.493	1.420	50	70		GDIARN
COc1ccccc1-n1cc([C@@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cn1	ZINC000218671900	570339070	/nfs/dbraw/zinc/33/90/70/570339070.db2.gz	YFNYVIGHYBVLTP-OAHLLOKOSA-N	0	0	381.436	1.932	50	70		GDIARN
CCOC(=O)N1CCN(C(=O)c2c(C)cc(C)n(C[C@@H]3CCCO3)c2=O)CC1	ZINC000218530964	222589474	/nfs/dbraw/zinc/58/94/74/222589474.db2.gz	ONBGUKLDOCACNK-INIZCTEOSA-N	0	0	391.468	1.558	50	70		GDIARN
Cc1nnc(SCCNC(=O)COc2ccc(-n3cnnn3)cc2)s1	ZINC000218208606	531027819	/nfs/dbraw/zinc/02/78/19/531027819.db2.gz	NAKMNLLQORZPJP-UHFFFAOYSA-N	0	0	377.455	1.110	50	70		GDIARN
CCc1nc(N2CCn3nc(CN4CC[C@@H](NC(C)=O)C4)cc3C2)ncc1C	ZINC000216846397	136203107	/nfs/dbraw/zinc/20/31/07/136203107.db2.gz	WMIZPFPQEZYWAI-MRXNPFEDSA-N	0	0	383.500	1.275	50	70		GDIARN
CN1CCN(Cc2oc(CN3CCN(c4ccccc4)CC3)cc(=O)c2O)CC1	ZINC000218352068	136203748	/nfs/dbraw/zinc/20/37/48/136203748.db2.gz	HOUPSKAMOMSYCJ-UHFFFAOYSA-N	0	0	398.507	1.415	50	70		GDIARN
Cn1c(CO)nnc1[C@H]1CCCN(C(=O)C2(N3CCOCC3)CCCCC2)C1	ZINC000217488503	570317008	/nfs/dbraw/zinc/31/70/08/570317008.db2.gz	SFPRKJCOESMRNC-INIZCTEOSA-N	0	0	391.516	1.049	50	70		GDIARN
Cc1cc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1	ZINC000218354733	570332403	/nfs/dbraw/zinc/33/24/03/570332403.db2.gz	RJGUYARSYSYCBP-CYBMUJFWSA-N	0	0	379.434	1.400	50	70		GDIARN
Cc1c(Cl)cccc1S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217616279	136203347	/nfs/dbraw/zinc/20/33/47/136203347.db2.gz	ZTORXVCQVXJHRQ-UHFFFAOYSA-N	0	0	394.884	1.980	50	70		GDIARN
O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217614718	136203360	/nfs/dbraw/zinc/20/33/60/136203360.db2.gz	YFEYSJXEXJJDGF-UHFFFAOYSA-N	0	0	394.410	1.998	50	70		GDIARN
CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277370	570329450	/nfs/dbraw/zinc/32/94/50/570329450.db2.gz	KHKINERBVASELL-YGRLFVJLSA-N	0	0	390.465	1.770	50	70		GDIARN
COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(OC)c1	ZINC000217610756	136203322	/nfs/dbraw/zinc/20/33/22/136203322.db2.gz	PSLYZHXKMPBWCZ-UHFFFAOYSA-N	0	0	398.463	1.805	50	70		GDIARN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)n1	ZINC000218125303	570325563	/nfs/dbraw/zinc/32/55/63/570325563.db2.gz	RWOMETWJLBVGQO-LJQANCHMSA-N	0	0	383.496	1.565	50	70		GDIARN
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000218404128	570333748	/nfs/dbraw/zinc/33/37/48/570333748.db2.gz	FCBASOSLRUENOT-INIZCTEOSA-N	0	0	387.436	1.299	50	70		GDIARN
COc1cccc(OCCN2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)c1	ZINC000160869486	570437628	/nfs/dbraw/zinc/43/76/28/570437628.db2.gz	CHDXWQYKRIMHGE-UHFFFAOYSA-N	0	0	395.463	1.814	50	70		GDIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NCCn1cccn1	ZINC000218173675	222585687	/nfs/dbraw/zinc/58/56/87/222585687.db2.gz	UROJGFWTSHUSBV-AWEZNQCLSA-N	0	0	375.816	1.163	50	70		GDIARN
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1Cc2ccccc21	ZINC000160980174	530556712	/nfs/dbraw/zinc/55/67/12/530556712.db2.gz	ZFBWHJCLDYVQFB-GFCCVEGCSA-N	0	0	380.853	1.822	50	70		GDIARN
COc1ccc(-c2nnc3sc([C@@H]4CCS(=O)(=O)C4)nn32)cc1OC	ZINC000218136872	531027306	/nfs/dbraw/zinc/02/73/06/531027306.db2.gz	BZZSPZLUZSNQSP-SNVBAGLBSA-N	0	0	380.451	1.772	50	70		GDIARN
COc1ccccc1N1C[C@H](C(=O)NCCSc2nncn2C)CC1=O	ZINC000217647819	570319953	/nfs/dbraw/zinc/31/99/53/570319953.db2.gz	HZZLRXITPCVHQW-GFCCVEGCSA-N	0	0	375.454	1.085	50	70		GDIARN
Cn1cnc2ccc(NC(=O)COc3ccccc3-n3cnnc3)cc2c1=O	ZINC000218304190	570330894	/nfs/dbraw/zinc/33/08/94/570330894.db2.gz	YAGKMTFUXQZGPX-UHFFFAOYSA-N	0	0	376.376	1.532	50	70		GDIARN
COCCn1c(CCNC(=O)C2(n3cnnn3)CCCCC2)nc2ccccc21	ZINC000218475840	570335302	/nfs/dbraw/zinc/33/53/02/570335302.db2.gz	CGBGQWPVIDMGIR-UHFFFAOYSA-N	0	0	397.483	1.688	50	70		GDIARN
Cc1c(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cnn1-c1ccccc1	ZINC000217614300	136203371	/nfs/dbraw/zinc/20/33/71/136203371.db2.gz	PMFOZIMWZPDIQU-UHFFFAOYSA-N	0	0	390.447	1.963	50	70		GDIARN
CCc1ccccc1NC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000217652969	535953154	/nfs/dbraw/zinc/95/31/54/535953154.db2.gz	KWZMJCNHAQMOAZ-UHFFFAOYSA-N	0	0	378.440	1.974	50	70		GDIARN
C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1OCC(N)=O)C2	ZINC000217664950	570320133	/nfs/dbraw/zinc/32/01/33/570320133.db2.gz	GXZQTLMFLZDBEF-LBPRGKRZSA-N	0	0	378.860	1.860	50	70		GDIARN
COc1ccc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)cn1	ZINC000218380296	222587717	/nfs/dbraw/zinc/58/77/17/222587717.db2.gz	GAXGQGNOYCQLGK-GOSISDBHSA-N	0	0	382.424	1.148	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC3CCOCC3)CS[C@H]21	ZINC000218061088	212113771	/nfs/dbraw/zinc/11/37/71/212113771.db2.gz	BZGYMBVHMRSPOC-ORAYPTAESA-N	0	0	392.477	1.816	50	70	biogenic	GDIARN
O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1	ZINC000218165839	570326869	/nfs/dbraw/zinc/32/68/69/570326869.db2.gz	UNOBTPUULGCQFC-UHFFFAOYSA-N	0	0	384.396	1.945	50	70		GDIARN
COc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1Cl	ZINC000217788719	222582073	/nfs/dbraw/zinc/58/20/73/222582073.db2.gz	UZJMGLNXUYFMKZ-VIFPVBQESA-N	0	0	390.870	1.807	50	70		GDIARN
O=C(c1cncc(Br)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	ZINC000217730604	531026915	/nfs/dbraw/zinc/02/69/15/531026915.db2.gz	JGUNPJOIGOSTHK-ZIAGYGMSSA-N	0	0	390.237	1.620	50	70		GDIARN
COc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1OC	ZINC000217788501	531026942	/nfs/dbraw/zinc/02/69/42/531026942.db2.gz	POYZOKTXLOLBBC-JTQLQIEISA-N	0	0	386.451	1.162	50	70		GDIARN
O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc32)C1	ZINC000217790301	531027512	/nfs/dbraw/zinc/02/75/12/531027512.db2.gz	MDPUPAGODNNVJM-LBPRGKRZSA-N	0	0	377.447	1.693	50	70		GDIARN
C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1OCC(N)=O)C2	ZINC000217664865	570320078	/nfs/dbraw/zinc/32/00/78/570320078.db2.gz	GXZQTLMFLZDBEF-GFCCVEGCSA-N	0	0	378.860	1.860	50	70		GDIARN
COc1c(=O)ccn(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C	ZINC000218134331	570326067	/nfs/dbraw/zinc/32/60/67/570326067.db2.gz	NMCNWRJORGTEGL-UHFFFAOYSA-N	0	0	376.434	1.370	50	70		GDIARN
COCCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc2c1=O	ZINC000218289629	570330190	/nfs/dbraw/zinc/33/01/90/570330190.db2.gz	BYHNLAUVVCBOLC-AWEZNQCLSA-N	0	0	386.452	1.486	50	70		GDIARN
CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)CC1	ZINC000217811667	222583204	/nfs/dbraw/zinc/58/32/04/222583204.db2.gz	CXQMRURFEVSGDE-ZDUSSCGKSA-N	0	0	396.513	1.400	50	70		GDIARN
C[C@@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1	ZINC000218003379	222584323	/nfs/dbraw/zinc/58/43/23/222584323.db2.gz	MEZOJEZPTITGPK-OAQYLSRUSA-N	0	0	396.399	1.802	50	70		GDIARN
Cc1nn(C)c2nc(C)cc(C(=O)N3CCn4nc([C@@H](O)C5CC5)cc4C3)c12	ZINC000218179953	570327247	/nfs/dbraw/zinc/32/72/47/570327247.db2.gz	JFGYBRUTXZYWRK-SFHVURJKSA-N	0	0	380.452	1.881	50	70		GDIARN
Cn1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1	ZINC000218307119	570330638	/nfs/dbraw/zinc/33/06/38/570330638.db2.gz	LUEVQLWKZTZJOA-QMTHXVAHSA-N	0	0	377.470	1.815	50	70		GDIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)NCc1cccn1C	ZINC000218486541	570335279	/nfs/dbraw/zinc/33/52/79/570335279.db2.gz	OOAQTPKRXFOVOC-BFUOFWGJSA-N	0	0	387.461	1.929	50	70		GDIARN
COC(=O)[C@H](CC(C)C)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O	ZINC000217889982	222582676	/nfs/dbraw/zinc/58/26/76/222582676.db2.gz	BQGDWDSGBWXPKC-CABCVRRESA-N	0	0	375.425	1.221	50	70	biogenic	GDIARN
O=S(=O)(N1CCCC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217854883	222582791	/nfs/dbraw/zinc/58/27/91/222582791.db2.gz	MDPVTZWNNPBIQV-CYBMUJFWSA-N	0	0	378.458	1.122	50	70		GDIARN
O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCCn2nc(CO)cc2C1	ZINC000217153060	231030346	/nfs/dbraw/zinc/03/03/46/231030346.db2.gz	XYMHNHQZGSNAQK-UHFFFAOYSA-N	0	0	377.828	1.775	50	70		GDIARN
C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)Nc1nnc(C3CCC3)s1)C2	ZINC000217146114	570313122	/nfs/dbraw/zinc/31/31/22/570313122.db2.gz	PIHQJYRZLMVGHS-LLVKDONJSA-N	0	0	376.486	1.900	50	70		GDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2c(c(Cl)c1)OCO2	ZINC000218155685	570326553	/nfs/dbraw/zinc/32/65/53/570326553.db2.gz	YMVBOVNZJNYSOC-VIFPVBQESA-N	0	0	395.799	1.198	50	70		GDIARN
O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1nc(-c2ccccn2)no1	ZINC000218163350	570326889	/nfs/dbraw/zinc/32/68/89/570326889.db2.gz	XBNGNGWEPIFMKC-OAHLLOKOSA-N	0	0	379.376	1.580	50	70		GDIARN
O=C(Cn1cnc2ccsc2c1=O)N1CCN(CCc2ccncc2)CC1	ZINC000218216553	570327975	/nfs/dbraw/zinc/32/79/75/570327975.db2.gz	HBRHGDVSAVFVFE-UHFFFAOYSA-N	0	0	383.477	1.240	50	70		GDIARN
CC(C)Oc1ccc2nnc(CCC(=O)N[C@H](CO)Cc3ccccc3)n2n1	ZINC000218373230	570332912	/nfs/dbraw/zinc/33/29/12/570332912.db2.gz	USOXIGCOUVLIKE-INIZCTEOSA-N	0	0	383.452	1.564	50	70		GDIARN
COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218611826	570337859	/nfs/dbraw/zinc/33/78/59/570337859.db2.gz	LJPMWCTXRPOVAB-LLVKDONJSA-N	0	0	383.360	1.505	50	70		GDIARN
COC[C@@H]1[C@H](NS(=O)(=O)c2cc(-c3ccno3)ccc2C)[C@@H]2CCO[C@H]12	ZINC000218745406	570340340	/nfs/dbraw/zinc/34/03/40/570340340.db2.gz	RUISAIJINLXUHF-JFTQMJAMSA-N	0	0	378.450	1.978	50	70		GDIARN
CCc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)s1	ZINC000217739110	222581421	/nfs/dbraw/zinc/58/14/21/222581421.db2.gz	QEIZGPJZMJKGFQ-ZIAGYGMSSA-N	0	0	380.491	1.635	50	70		GDIARN
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C2	ZINC000217869573	531027223	/nfs/dbraw/zinc/02/72/23/531027223.db2.gz	RFKCXCKAIHDPEX-SSDOTTSWSA-N	0	0	377.754	1.998	50	70		GDIARN
O=C(c1cc(=O)c2ccccc2o1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217608995	136203369	/nfs/dbraw/zinc/20/33/69/136203369.db2.gz	XLGXVWXTBDVOJJ-UHFFFAOYSA-N	0	0	378.388	1.576	50	70		GDIARN
CC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1	ZINC000218504358	136203632	/nfs/dbraw/zinc/20/36/32/136203632.db2.gz	XQMBEBFPCSCJFA-VSZNYVQBSA-N	0	0	378.494	1.465	50	70		GDIARN
O=C(Cn1ccc(=O)c2ccccc21)NC[C@@H]1CCCN(c2ncccn2)C1	ZINC000218458927	136203640	/nfs/dbraw/zinc/20/36/40/136203640.db2.gz	ULZKRASKECDRBH-INIZCTEOSA-N	0	0	377.448	1.824	50	70		GDIARN
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)C2	ZINC000217934431	570322676	/nfs/dbraw/zinc/32/26/76/570322676.db2.gz	DVILOMMLGJQDSI-CQSZACIVSA-N	0	0	377.466	1.533	50	70		GDIARN
Cc1nn(C)c2nc(C)cc(C(=O)N3CCn4nc([C@H](O)C5CC5)cc4C3)c12	ZINC000218180032	570327126	/nfs/dbraw/zinc/32/71/26/570327126.db2.gz	JFGYBRUTXZYWRK-GOSISDBHSA-N	0	0	380.452	1.881	50	70		GDIARN
COc1ccccc1-n1cc([C@H](C)NC(=O)Cn2c(C)cc(C)nc2=O)cn1	ZINC000218671962	570338980	/nfs/dbraw/zinc/33/89/80/570338980.db2.gz	YFNYVIGHYBVLTP-HNNXBMFYSA-N	0	0	381.436	1.932	50	70		GDIARN
COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217807349	222583689	/nfs/dbraw/zinc/58/36/89/222583689.db2.gz	SVSVYDXLDFQMGL-INIZCTEOSA-N	0	0	389.404	1.578	50	70	biogenic	GDIARN
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218019703	212112553	/nfs/dbraw/zinc/11/25/53/212112553.db2.gz	GZTGSCKDSDUNTC-LLVKDONJSA-N	0	0	389.360	1.333	50	70	biogenic	GDIARN
C[C@@H]1CN(C(=O)c2c[nH]c3cc(N4CCOCC4)c(F)cc3c2=O)CCN1C	ZINC000216955875	570310312	/nfs/dbraw/zinc/31/03/12/570310312.db2.gz	QORUDNVZPULNHG-CYBMUJFWSA-N	0	0	388.443	1.280	50	70		GDIARN
COc1ccc(CCc2nnc(NC(=O)Cn3cc(OC)c(=O)cc3C)[nH]2)cc1	ZINC000218367523	570332857	/nfs/dbraw/zinc/33/28/57/570332857.db2.gz	KMLOIPXHNNIJJT-UHFFFAOYSA-N	0	0	397.435	1.716	50	70		GDIARN
C[C@](O)(CNC(=O)N1CCN(S(C)(=O)=O)C1=O)c1cc2ccccc2s1	ZINC000217509871	222579588	/nfs/dbraw/zinc/57/95/88/222579588.db2.gz	ADRVTEMWDLLQJB-INIZCTEOSA-N	0	0	397.478	1.516	50	70		GDIARN
COc1c2c(c(S(=O)(=O)N3CCCCC3)c3c1C(=O)N(C)CC3)OCO2	ZINC000217943595	212112766	/nfs/dbraw/zinc/11/27/66/212112766.db2.gz	UKHRLKAYAGAYPP-UHFFFAOYSA-N	0	0	382.438	1.227	50	70	biogenic	GDIARN
O=c1cc(CN2CCOCC2)oc(CN2CCO[C@@H](c3ccccc3)C2)c1O	ZINC000218469084	570335247	/nfs/dbraw/zinc/33/52/47/570335247.db2.gz	BRCKWVUNURUIEH-LJQANCHMSA-N	0	0	386.448	1.751	50	70		GDIARN
CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3ccccc3n1)C2	ZINC000218426191	231031307	/nfs/dbraw/zinc/03/13/07/231031307.db2.gz	AEUSOKISTCTFMC-HXUWFJFHSA-N	0	0	379.464	1.959	50	70		GDIARN
O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccccc1Br	ZINC000217925924	531027234	/nfs/dbraw/zinc/02/72/34/531027234.db2.gz	PYTIMBRWYSPUAJ-CYBMUJFWSA-N	0	0	378.288	1.905	50	70		GDIARN
CC[C@@H](C)[C@@H](CO)NC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O	ZINC000217638759	222581749	/nfs/dbraw/zinc/58/17/49/222581749.db2.gz	JCYPTIUSFSEGAP-CZUORRHYSA-N	0	0	376.453	1.582	50	70	biogenic	GDIARN
Cc1ccc(N2C[C@@H](C(=O)N3CC(N4C(=O)CSC4=O)C3)CC2=O)cc1C	ZINC000217743962	222581894	/nfs/dbraw/zinc/58/18/94/222581894.db2.gz	ASNAVAVFSGOEIK-ZDUSSCGKSA-N	0	0	387.461	1.563	50	70		GDIARN
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	ZINC000218064882	212113396	/nfs/dbraw/zinc/11/33/96/212113396.db2.gz	XYARNOMWAOBIKT-JTQLQIEISA-N	0	0	377.349	1.276	50	70	biogenic	GDIARN
O=C(c1cc(-c2cccs2)n[nH]1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217614837	136203350	/nfs/dbraw/zinc/20/33/50/136203350.db2.gz	OVECIMRFCJVUAF-UHFFFAOYSA-N	0	0	382.449	1.921	50	70		GDIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCn3ccnc3C)C2=O)cc1	ZINC000218267370	570329505	/nfs/dbraw/zinc/32/95/05/570329505.db2.gz	YYRVJOXHGWUCKN-KRWDZBQOSA-N	0	0	399.451	1.217	50	70		GDIARN
CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000218301566	570330901	/nfs/dbraw/zinc/33/09/01/570330901.db2.gz	IXFIHWRPDKBTRF-OLZOCXBDSA-N	0	0	380.466	1.041	50	70		GDIARN
O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@H](O)c2ccccc2F)nn1	ZINC000217472945	222580018	/nfs/dbraw/zinc/58/00/18/222580018.db2.gz	BPCZKEICYGOBGF-INIZCTEOSA-N	0	0	384.367	1.810	50	70		GDIARN
COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCC2	ZINC000217915187	222583663	/nfs/dbraw/zinc/58/36/63/222583663.db2.gz	BAQVKEAKWVCCIM-WMLDXEAASA-N	0	0	388.464	1.863	50	70	biogenic	GDIARN
C[C@@H](Oc1ccccc1)C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1	ZINC000217966573	222584601	/nfs/dbraw/zinc/58/46/01/222584601.db2.gz	SMHKOAFYLVEGEH-OAHLLOKOSA-N	0	0	392.481	1.111	50	70		GDIARN
COCc1nc(-c2cccc(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)c2)n[nH]1	ZINC000218377309	222587209	/nfs/dbraw/zinc/58/72/09/222587209.db2.gz	MRMGLJULALQURF-UHFFFAOYSA-N	0	0	397.435	1.876	50	70		GDIARN
C[C@H](O)c1cc2n(n1)CCCN(CC(=O)Nc1nnc(C3CCC3)s1)C2	ZINC000217146124	231030420	/nfs/dbraw/zinc/03/04/20/231030420.db2.gz	PIHQJYRZLMVGHS-NSHDSACASA-N	0	0	376.486	1.900	50	70		GDIARN
Cc1cc(OC2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)n1C	ZINC000217757417	531027058	/nfs/dbraw/zinc/02/70/58/531027058.db2.gz	XVOVHSMKWDTKBB-UHFFFAOYSA-N	0	0	386.832	1.938	50	70		GDIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3cccs3)CC2)cn1	ZINC000217966188	531027468	/nfs/dbraw/zinc/02/74/68/531027468.db2.gz	HMLLOYFMBNDELF-AATRIKPKSA-N	0	0	380.495	1.418	50	70		GDIARN
COC(=O)[C@@H](NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O)C(C)C	ZINC000218256299	570329127	/nfs/dbraw/zinc/32/91/27/570329127.db2.gz	QRHBPIMNXOYXGA-SFHVURJKSA-N	0	0	391.399	1.372	50	70		GDIARN
Cn1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1	ZINC000218307231	570330723	/nfs/dbraw/zinc/33/07/23/570330723.db2.gz	LUEVQLWKZTZJOA-IINYFYTJSA-N	0	0	377.470	1.815	50	70		GDIARN
Cc1cc(C)c(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)cc1C	ZINC000218442270	570334423	/nfs/dbraw/zinc/33/44/23/570334423.db2.gz	IKJYVVKSOFGBCJ-IBGZPJMESA-N	0	0	377.510	1.902	50	70		GDIARN
C[C@H](C(=O)Nc1cccc(-c2nnn(C)n2)c1)n1cnc2ccccc2c1=O	ZINC000218500493	222589316	/nfs/dbraw/zinc/58/93/16/222589316.db2.gz	DQANXDHKXMMIBV-GFCCVEGCSA-N	0	0	375.392	1.787	50	70		GDIARN
Cc1cc(C)c(S(=O)(=O)N2CCn3nc([C@H](C)O)cc3C2)c2nonc21	ZINC000217434432	231030517	/nfs/dbraw/zinc/03/05/17/231030517.db2.gz	LACMBCBFBIRQCC-NSHDSACASA-N	0	0	377.426	1.294	50	70		GDIARN
Cc1ccc(/C=C/S(=O)(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1	ZINC000217616952	136203308	/nfs/dbraw/zinc/20/33/08/136203308.db2.gz	WVJWEBWZYXLFSE-IZZDOVSWSA-N	0	0	386.477	1.938	50	70		GDIARN
O=S(=O)(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217615821	136203310	/nfs/dbraw/zinc/20/33/10/136203310.db2.gz	KVGHEURQBOYGBO-UHFFFAOYSA-N	0	0	382.392	1.296	50	70		GDIARN
Cc1ccc(S(=O)(=O)CCC(=O)N2CCn3nc([C@@H](C)O)cc3C2)cc1	ZINC000217102475	570312832	/nfs/dbraw/zinc/31/28/32/570312832.db2.gz	VHTPZODGAKLVDY-CQSZACIVSA-N	0	0	377.466	1.451	50	70		GDIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000218138808	570326078	/nfs/dbraw/zinc/32/60/78/570326078.db2.gz	SWWIFYLTBJTDBS-LLVKDONJSA-N	0	0	397.387	1.183	50	70		GDIARN
CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc[nH]c2=O)CCO1	ZINC000218277282	570329578	/nfs/dbraw/zinc/32/95/78/570329578.db2.gz	KHKINERBVASELL-QMTHXVAHSA-N	0	0	390.465	1.770	50	70		GDIARN
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(C(F)(F)F)cc1	ZINC000218389444	570333202	/nfs/dbraw/zinc/33/32/02/570333202.db2.gz	ZBOFBUVEEJIBHQ-NSHDSACASA-N	0	0	385.342	1.835	50	70		GDIARN
Cc1cc(C)c(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cc1C	ZINC000218442338	570334536	/nfs/dbraw/zinc/33/45/36/570334536.db2.gz	IKJYVVKSOFGBCJ-LJQANCHMSA-N	0	0	377.510	1.902	50	70		GDIARN
COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	ZINC000218616132	570933083	/nfs/dbraw/zinc/93/30/83/570933083.db2.gz	PDUJWSIOMLVKJU-UHFFFAOYSA-N	0	0	399.842	1.682	50	70		GDIARN