smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216790953	569879287	/nfs/dbraw/zinc/87/92/87/569879287.db2.gz	LTHUJPQJPQJHGB-UHFFFAOYSA-N	0	0	457.383	2.906	40	70		JFIBRN
Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000216844002	569879773	/nfs/dbraw/zinc/87/97/73/569879773.db2.gz	QGIVCVODKGPZKI-UHFFFAOYSA-N	0	0	457.581	2.702	40	70		JFIBRN
COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217459990	569880103	/nfs/dbraw/zinc/88/01/03/569880103.db2.gz	XNHAYVGJWRCDTD-UONOGXRCSA-N	0	0	454.914	2.827	40	70		JFIBRN
C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)NCCc4c[nH]c5ccccc45)[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000217513850	569880194	/nfs/dbraw/zinc/88/01/94/569880194.db2.gz	NQFKVZDAVZCBDX-JKQQIWBVSA-N	0	0	485.540	2.920	40	70		JFIBRN
CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@H]3[C@@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@@H]24)c1	ZINC000217526091	569880276	/nfs/dbraw/zinc/88/02/76/569880276.db2.gz	NSUJNRIEBKWESB-ZNRKGSFXSA-N	0	0	490.512	2.896	40	70		JFIBRN
CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)NCCc1c[nH]c2ccccc12	ZINC000217598665	569880406	/nfs/dbraw/zinc/88/04/06/569880406.db2.gz	CQGMSFJCAJPPHT-NNPDTBDGSA-N	0	0	475.593	2.842	40	70		JFIBRN
COC(=O)C[C@@H](c1ccccc1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000217988327	569882393	/nfs/dbraw/zinc/88/23/93/569882393.db2.gz	AVQVHWUIBNOFEC-DSKINZAPSA-N	0	0	476.529	2.821	40	70		JFIBRN
COC(=O)C[C@@H](CC(C)C)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218034028	569882514	/nfs/dbraw/zinc/88/25/14/569882514.db2.gz	NLHOWUGICGLMIB-RCCFBDPRSA-N	0	0	456.539	2.819	40	70		JFIBRN
COC(=O)C[C@H](CC(C)C)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218033955	569882599	/nfs/dbraw/zinc/88/25/99/569882599.db2.gz	NLHOWUGICGLMIB-OKZBNKHCSA-N	0	0	456.539	2.819	40	70		JFIBRN
O=C(c1cn(Cc2ccncc2)c(=O)c2ccccc12)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000218128301	569882854	/nfs/dbraw/zinc/88/28/54/569882854.db2.gz	HRIXOCFMOJEHEU-VQTJNVASSA-N	0	0	452.514	2.866	40	70		JFIBRN
COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216784503	569879281	/nfs/dbraw/zinc/87/92/81/569879281.db2.gz	KRWZBYMMKOLLKO-UHFFFAOYSA-N	0	0	468.373	2.646	40	70		JFIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216790891	569879310	/nfs/dbraw/zinc/87/93/10/569879310.db2.gz	XJDQJJRZEGFFDN-UHFFFAOYSA-N	0	0	457.383	2.906	40	70		JFIBRN
CN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1	ZINC000216840751	569879793	/nfs/dbraw/zinc/87/97/93/569879793.db2.gz	ZBCBBXBFKJJIEV-UHFFFAOYSA-N	0	0	498.649	2.820	40	70		JFIBRN
Cc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	ZINC000216879606	569879862	/nfs/dbraw/zinc/87/98/62/569879862.db2.gz	GAUNQTRMVKSNQU-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217403456	569880013	/nfs/dbraw/zinc/88/00/13/569880013.db2.gz	WNFLHMRCNSIPIT-UONOGXRCSA-N	0	0	499.365	2.937	40	70		JFIBRN
COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218098842	569882743	/nfs/dbraw/zinc/88/27/43/569882743.db2.gz	QGIGXXZUOOJHCA-YRISNDGFSA-N	0	0	492.528	2.527	40	70		JFIBRN
CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216786189	569879292	/nfs/dbraw/zinc/87/92/92/569879292.db2.gz	VNDHFWQLRSVJRY-UHFFFAOYSA-N	0	0	489.594	2.841	40	70		JFIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216793964	569879426	/nfs/dbraw/zinc/87/94/26/569879426.db2.gz	PUTTUSWHEPWGRK-UHFFFAOYSA-N	0	0	450.992	2.951	40	70		JFIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCc1ccc(Cl)cc1	ZINC000216864204	569879767	/nfs/dbraw/zinc/87/97/67/569879767.db2.gz	ZEDCVORLZIJULN-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216858130	569879805	/nfs/dbraw/zinc/87/98/05/569879805.db2.gz	LKRTXVTWPUTTPH-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1	ZINC000216871890	569879761	/nfs/dbraw/zinc/87/97/61/569879761.db2.gz	GZEFHWDROGHTNZ-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216858086	569879781	/nfs/dbraw/zinc/87/97/81/569879781.db2.gz	AEJLRRBWIPDXFM-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
COc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@@H]2O4)cc(OC)c1	ZINC000217519268	569880177	/nfs/dbraw/zinc/88/01/77/569880177.db2.gz	IAGRGOOFTYDHQB-UEOMBKFZSA-N	0	0	463.490	2.587	40	70	biogenic	JFIBRN
CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)NCCn1ccc2ccccc21	ZINC000217862643	569881888	/nfs/dbraw/zinc/88/18/88/569881888.db2.gz	QWSXFQXBFVYRHB-HWHXTQLESA-N	0	0	475.593	2.773	40	70		JFIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000216787911	569879294	/nfs/dbraw/zinc/87/92/94/569879294.db2.gz	IAEIHQFLMFLIGQ-UHFFFAOYSA-N	0	0	457.474	2.902	40	70		JFIBRN
CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(S(=O)(=O)NC)c2)cc1	ZINC000216792309	569879300	/nfs/dbraw/zinc/87/93/00/569879300.db2.gz	UGUSPLNDESLEMZ-UHFFFAOYSA-N	0	0	488.610	2.556	40	70		JFIBRN
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1	ZINC000216871822	569879729	/nfs/dbraw/zinc/87/97/29/569879729.db2.gz	TYISOJGGMNIUPE-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CCN(C)CC1	ZINC000216791086	569879296	/nfs/dbraw/zinc/87/92/96/569879296.db2.gz	ILFUPMCHCRLNGE-UHFFFAOYSA-N	0	0	456.490	2.618	40	70		JFIBRN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCc1ccccc1Cl	ZINC000216864174	569879727	/nfs/dbraw/zinc/87/97/27/569879727.db2.gz	QWNUQXREHRBYOG-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)CC1	ZINC000216887020	569879842	/nfs/dbraw/zinc/87/98/42/569879842.db2.gz	OHFQODLMRMDJFZ-UHFFFAOYSA-N	0	0	450.004	2.780	40	70		JFIBRN
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217802673	569881731	/nfs/dbraw/zinc/88/17/31/569881731.db2.gz	GEYAUXNHGCHBAD-FUHWJXTLSA-N	0	0	458.543	2.933	40	70		JFIBRN
COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@@H]2O4)cc1OC	ZINC000217521068	569880166	/nfs/dbraw/zinc/88/01/66/569880166.db2.gz	HIYYJXSEASKAFG-RBODFLQRSA-N	0	0	463.490	2.587	40	70	biogenic	JFIBRN
COc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@@H]2O4)cc(OC)c1	ZINC000217519181	569880170	/nfs/dbraw/zinc/88/01/70/569880170.db2.gz	IAGRGOOFTYDHQB-MTQWNXOMSA-N	0	0	463.490	2.587	40	70	biogenic	JFIBRN
COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@@H]2O4)cc1OC	ZINC000217521146	569880172	/nfs/dbraw/zinc/88/01/72/569880172.db2.gz	HIYYJXSEASKAFG-RHQSAMMMSA-N	0	0	463.490	2.587	40	70	biogenic	JFIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216794143	569879359	/nfs/dbraw/zinc/87/93/59/569879359.db2.gz	TWVMOVLXGQJQEV-UHFFFAOYSA-N	0	0	454.955	2.781	40	70		JFIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1N1CCN(C)CC1	ZINC000216793837	569879393	/nfs/dbraw/zinc/87/93/93/569879393.db2.gz	FXSUMSIEEDHSKY-UHFFFAOYSA-N	0	0	481.416	2.751	40	70		JFIBRN
CN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000216807066	569879454	/nfs/dbraw/zinc/87/94/54/569879454.db2.gz	XWTJCNAGOLLEGT-UHFFFAOYSA-N	0	0	499.420	2.640	40	70		JFIBRN
CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(O3)[C@H]3[C@@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@@H]24)c1	ZINC000217526174	569880239	/nfs/dbraw/zinc/88/02/39/569880239.db2.gz	NSUJNRIEBKWESB-SXOQNKCWSA-N	0	0	490.512	2.896	40	70		JFIBRN
COC(=O)C[C@H](c1ccccc1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000217988243	569882353	/nfs/dbraw/zinc/88/23/53/569882353.db2.gz	AVQVHWUIBNOFEC-FBBABVLZSA-N	0	0	476.529	2.821	40	70		JFIBRN
COC(=O)C[C@H](c1ccsc1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000217997064	569882377	/nfs/dbraw/zinc/88/23/77/569882377.db2.gz	QWDBKCCOHAZDKH-KVSKMBFKSA-N	0	0	482.558	2.883	40	70		JFIBRN
Cc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1	ZINC000216879538	569879811	/nfs/dbraw/zinc/87/98/11/569879811.db2.gz	SOZQHKSVPRRYIO-UHFFFAOYSA-N	0	0	450.004	2.947	40	70		JFIBRN
O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21	ZINC000217491337	569880131	/nfs/dbraw/zinc/88/01/31/569880131.db2.gz	ZTCYOHJEFFIATK-LYSZKAAZSA-N	0	0	462.452	2.683	40	70		JFIBRN
COc1cc(C(=O)Nc2ccc(N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)nc2)cc2c1OCCO2	ZINC000217552086	569880318	/nfs/dbraw/zinc/88/03/18/569880318.db2.gz	BJRDRSSDQQPRFB-FUHWJXTLSA-N	0	0	474.517	2.899	40	70		JFIBRN
COC(=O)C[C@H](c1ccc(C)o1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000217949844	569882202	/nfs/dbraw/zinc/88/22/02/569882202.db2.gz	IFXJDPXZMUAPBH-YQVWRLOYSA-N	0	0	480.517	2.723	40	70		JFIBRN
O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217382627	569879903	/nfs/dbraw/zinc/87/99/03/569879903.db2.gz	YNUZUXSMJADIBV-ZDXQCDESSA-N	0	0	471.557	2.601	40	70		JFIBRN
COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)c1	ZINC000217426015	569880012	/nfs/dbraw/zinc/88/00/12/569880012.db2.gz	XXPHUUGKFXRLDK-PKOBYXMFSA-N	0	0	479.558	2.917	40	70		JFIBRN
CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)CCCNC(=O)OCc2ccccc2)O1	ZINC000217360370	569879909	/nfs/dbraw/zinc/87/99/09/569879909.db2.gz	WRZCTNADBXUVGP-QNDFHXLGSA-N	0	0	479.526	2.633	40	70		JFIBRN
COc1cc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@@H]2O4)cc(OC)c1OC	ZINC000217524122	569880264	/nfs/dbraw/zinc/88/02/64/569880264.db2.gz	JGTYYGOXBQQZLB-MPWBWRNSSA-N	0	0	493.516	2.596	40	70	biogenic	JFIBRN
O=c1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)oc(CN2CCc3ccccc3C2)c1O	ZINC000217665744	569880904	/nfs/dbraw/zinc/88/09/04/569880904.db2.gz	FVAHCJAUZBVLNI-GHTZIAJQSA-N	0	0	459.546	2.685	40	70		JFIBRN
COC(=O)C[C@@H](c1ccc(C)o1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000217949919	569882167	/nfs/dbraw/zinc/88/21/67/569882167.db2.gz	IFXJDPXZMUAPBH-SCTDSRPQSA-N	0	0	480.517	2.723	40	70		JFIBRN
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)cc1	ZINC000217423931	569880034	/nfs/dbraw/zinc/88/00/34/569880034.db2.gz	RHRICZBXMVNZFJ-PKOBYXMFSA-N	0	0	479.558	2.917	40	70		JFIBRN
O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21	ZINC000217491249	569880115	/nfs/dbraw/zinc/88/01/15/569880115.db2.gz	ZTCYOHJEFFIATK-GFJXEVPCSA-N	0	0	462.452	2.683	40	70		JFIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216794583	569879367	/nfs/dbraw/zinc/87/93/67/569879367.db2.gz	UGOVUYZPSGQCET-UHFFFAOYSA-N	0	0	466.991	2.651	40	70		JFIBRN
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216839005	569879700	/nfs/dbraw/zinc/87/97/00/569879700.db2.gz	UHSVTUFRBAIWQH-UHFFFAOYSA-N	0	0	486.638	2.580	40	70		JFIBRN
O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21	ZINC000217491174	569880143	/nfs/dbraw/zinc/88/01/43/569880143.db2.gz	ZTCYOHJEFFIATK-RXGLGVBBSA-N	0	0	462.452	2.683	40	70		JFIBRN
COC(=O)C[C@@H](c1cccs1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218057707	569882504	/nfs/dbraw/zinc/88/25/04/569882504.db2.gz	PMMHCGNEYSCAGT-JZXOWHBKSA-N	0	0	482.558	2.883	40	70		JFIBRN
COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1Cl	ZINC000216785283	569879268	/nfs/dbraw/zinc/87/92/68/569879268.db2.gz	OUXKDEKUOOWOMO-UHFFFAOYSA-N	0	0	453.948	2.546	40	70		JFIBRN
COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216784902	569879275	/nfs/dbraw/zinc/87/92/75/569879275.db2.gz	IRPAGHARMBFXRL-UHFFFAOYSA-N	0	0	457.474	2.902	40	70		JFIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Br)cc1	ZINC000216787519	569879324	/nfs/dbraw/zinc/87/93/24/569879324.db2.gz	MUESHDPJYLOUAI-UHFFFAOYSA-N	0	0	468.373	2.646	40	70		JFIBRN
COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1Cl	ZINC000216788305	569879332	/nfs/dbraw/zinc/87/93/32/569879332.db2.gz	NJBOBSPLWOOQJY-UHFFFAOYSA-N	0	0	453.948	2.546	40	70		JFIBRN
CCCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1	ZINC000216788999	569879334	/nfs/dbraw/zinc/87/93/34/569879334.db2.gz	OBPHXPDZUFOXRO-UHFFFAOYSA-N	0	0	489.594	2.841	40	70		JFIBRN
CN1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)CC1	ZINC000216839912	569879709	/nfs/dbraw/zinc/87/97/09/569879709.db2.gz	MGVGTSZHODWNQH-UHFFFAOYSA-N	0	0	486.638	2.722	40	70		JFIBRN
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000216840552	569879777	/nfs/dbraw/zinc/87/97/77/569879777.db2.gz	YZKPIEKWGNVSKM-UHFFFAOYSA-N	0	0	486.638	2.676	40	70		JFIBRN
CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1	ZINC000216886964	569879826	/nfs/dbraw/zinc/87/98/26/569879826.db2.gz	NZICUZYVEDYYEQ-UHFFFAOYSA-N	0	0	450.004	2.780	40	70		JFIBRN
COC(=O)C[C@@H](c1ccsc1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000217997156	569882380	/nfs/dbraw/zinc/88/23/80/569882380.db2.gz	QWDBKCCOHAZDKH-WDYCEAGBSA-N	0	0	482.558	2.883	40	70		JFIBRN
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)cc1Cl	ZINC000216781726	569879262	/nfs/dbraw/zinc/87/92/62/569879262.db2.gz	HGXPVSURDRMGKL-UHFFFAOYSA-N	0	0	466.003	2.704	40	70		JFIBRN
COc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@@H]2O4)cc(OC)c1OC	ZINC000217524208	569880293	/nfs/dbraw/zinc/88/02/93/569880293.db2.gz	JGTYYGOXBQQZLB-XYQHTRRXSA-N	0	0	493.516	2.596	40	70	biogenic	JFIBRN
COC(=O)C[C@H](c1cccs1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218057647	569882495	/nfs/dbraw/zinc/88/24/95/569882495.db2.gz	PMMHCGNEYSCAGT-LZLYRXPVSA-N	0	0	482.558	2.883	40	70		JFIBRN
COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218098929	569882711	/nfs/dbraw/zinc/88/27/11/569882711.db2.gz	QGIGXXZUOOJHCA-CDXJDZJCSA-N	0	0	492.528	2.527	40	70		JFIBRN