smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4OC)o3)C2)c1	ZINC000216650596	569879213	/nfs/dbraw/zinc/87/92/13/569879213.db2.gz	JUUZMGHWWOYOBW-OAHLLOKOSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4cc(OC)ccc4OC)C3)o2)cc1	ZINC000216655166	569879234	/nfs/dbraw/zinc/87/92/34/569879234.db2.gz	UGWOPUOVGLBCDU-MRXNPFEDSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)o2)cc1	ZINC000216655995	569879235	/nfs/dbraw/zinc/87/92/35/569879235.db2.gz	OCVSPOWZUCWTGC-KRWDZBQOSA-N	0	0	456.524	3.272	40	70		JGIBRN
COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(OC)c(NC(C)=O)c4)C3)o2)cc1	ZINC000216655437	569879244	/nfs/dbraw/zinc/87/92/44/569879244.db2.gz	OWOQWHHPEHJBBQ-KRWDZBQOSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC)c(NC(C)=O)c4)C3)o2)cc1	ZINC000216655391	569879246	/nfs/dbraw/zinc/87/92/46/569879246.db2.gz	OWOQWHHPEHJBBQ-QGZVFWFLSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1cccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)o2)c1	ZINC000216653664	569879255	/nfs/dbraw/zinc/87/92/55/569879255.db2.gz	CVTMYGCGXQCCHH-QGZVFWFLSA-N	0	0	456.524	3.272	40	70		JGIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1N1CCN(C)CC1	ZINC000216791328	569879279	/nfs/dbraw/zinc/87/92/79/569879279.db2.gz	XJKZRFOQCKQARQ-UHFFFAOYSA-N	0	0	494.617	3.178	40	70		JGIBRN
COc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4cc(OC)ccc4OC)CC3)o2)c1	ZINC000216634746	569879174	/nfs/dbraw/zinc/87/91/74/569879174.db2.gz	QPHXPADNLBSNLO-UHFFFAOYSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216785162	569879256	/nfs/dbraw/zinc/87/92/56/569879256.db2.gz	XYJPHLBQLCHCEY-UHFFFAOYSA-N	0	0	495.601	3.463	40	70		JGIBRN
COc1cccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)o2)c1	ZINC000216653716	569879232	/nfs/dbraw/zinc/87/92/32/569879232.db2.gz	CVTMYGCGXQCCHH-KRWDZBQOSA-N	0	0	456.524	3.272	40	70		JGIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1C	ZINC000216881175	569879857	/nfs/dbraw/zinc/87/98/57/569879857.db2.gz	ORZPAIQCUUTAKE-QGZVFWFLSA-N	0	0	450.004	3.384	40	70		JGIBRN
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1	ZINC000216872976	569879891	/nfs/dbraw/zinc/87/98/91/569879891.db2.gz	DBNXQHIYJPNBEN-HXUWFJFHSA-N	0	0	450.004	3.466	40	70		JGIBRN
C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H]3[C@@H](C)C(=O)C[C@@H]1c1ccco1	ZINC000217515676	569880191	/nfs/dbraw/zinc/88/01/91/569880191.db2.gz	SEYVRDQQSZQTJM-JEMYESMRSA-N	0	0	474.557	3.218	40	70		JGIBRN
C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H]3[C@@H](C)C(=O)C[C@@H]1c1ccco1	ZINC000217515430	569880202	/nfs/dbraw/zinc/88/02/02/569880202.db2.gz	SEYVRDQQSZQTJM-YMOZMCTISA-N	0	0	474.557	3.218	40	70		JGIBRN
COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216784775	569879273	/nfs/dbraw/zinc/87/92/73/569879273.db2.gz	ZZDNJCDXONOPSX-UHFFFAOYSA-N	0	0	458.367	3.190	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1NC(C)=O	ZINC000216641979	569879171	/nfs/dbraw/zinc/87/91/71/569879171.db2.gz	LQJJZFDVIRHTQX-INIZCTEOSA-N	0	0	474.514	3.411	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1NC(C)=O	ZINC000216641930	569879181	/nfs/dbraw/zinc/87/91/81/569879181.db2.gz	LQJJZFDVIRHTQX-MRXNPFEDSA-N	0	0	474.514	3.411	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000216788167	569879260	/nfs/dbraw/zinc/87/92/60/569879260.db2.gz	QBKRMJUMXCFHBO-UHFFFAOYSA-N	0	0	495.601	3.463	40	70		JGIBRN
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217380148	569879904	/nfs/dbraw/zinc/87/99/04/569879904.db2.gz	CXLHCORQKMUMNY-GSLIJJQTSA-N	0	0	499.611	3.163	40	70		JGIBRN
CC(=O)Oc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217479551	569880047	/nfs/dbraw/zinc/88/00/47/569880047.db2.gz	VLGJOAPBJSCFFS-CGXNFDGLSA-N	0	0	452.894	3.100	40	70		JGIBRN
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)cc1Cl	ZINC000216637443	569879157	/nfs/dbraw/zinc/87/91/57/569879157.db2.gz	JQFOBNDWJPHTJJ-UHFFFAOYSA-N	0	0	463.947	3.455	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)o3)C2)cc1NC(C)=O	ZINC000216644087	569879183	/nfs/dbraw/zinc/87/91/83/569879183.db2.gz	XEJJPFGYKRMRKH-OAHLLOKOSA-N	0	0	474.514	3.411	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4OC)o3)C2)cc1NC(C)=O	ZINC000216650883	569879251	/nfs/dbraw/zinc/87/92/51/569879251.db2.gz	BDPCBASWCAITQZ-INIZCTEOSA-N	0	0	486.550	3.281	40	70		JGIBRN
CCCCc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(S(=O)(=O)NCC)c2)cc1	ZINC000216795348	569879413	/nfs/dbraw/zinc/87/94/13/569879413.db2.gz	NPUSQANTGGNUCN-UHFFFAOYSA-N	0	0	458.628	3.332	40	70		JGIBRN
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1	ZINC000216873017	569879833	/nfs/dbraw/zinc/87/98/33/569879833.db2.gz	DBNXQHIYJPNBEN-FQEVSTJZSA-N	0	0	450.004	3.466	40	70		JGIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	ZINC000216879319	569879867	/nfs/dbraw/zinc/87/98/67/569879867.db2.gz	MQUMKGSOTXSQOM-QGZVFWFLSA-N	0	0	450.004	3.384	40	70		JGIBRN
COc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)o2)c1	ZINC000216635208	569879191	/nfs/dbraw/zinc/87/91/91/569879191.db2.gz	RNRQXEYYRQPMSS-UHFFFAOYSA-N	0	0	456.524	3.272	40	70		JGIBRN
COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cc(OC)ccc4OC)C3)o2)cc1	ZINC000216655210	569879209	/nfs/dbraw/zinc/87/92/09/569879209.db2.gz	UGWOPUOVGLBCDU-INIZCTEOSA-N	0	0	459.524	3.331	40	70		JGIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1Cl	ZINC000216657794	569879345	/nfs/dbraw/zinc/87/93/45/569879345.db2.gz	PFUKCJLRCRXCTB-CQSZACIVSA-N	0	0	463.947	3.455	40	70		JGIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216794088	569879386	/nfs/dbraw/zinc/87/93/86/569879386.db2.gz	MVILAJYWIOEQPH-UHFFFAOYSA-N	0	0	471.410	3.296	40	70		JGIBRN
C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216871427	569879740	/nfs/dbraw/zinc/87/97/40/569879740.db2.gz	FASBYSNPXDUDQD-QGZVFWFLSA-N	0	0	450.004	3.027	40	70		JGIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1	ZINC000216872772	569879747	/nfs/dbraw/zinc/87/97/47/569879747.db2.gz	XOIGGWUMVQYDEH-QGZVFWFLSA-N	0	0	450.004	3.384	40	70		JGIBRN
CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217475919	569880075	/nfs/dbraw/zinc/88/00/75/569880075.db2.gz	YVJLMBZWDDLOBM-CGXNFDGLSA-N	0	0	466.921	3.352	40	70		JGIBRN
Cc1c(O[C@@H](C)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)ccc2c3c(c(=O)oc12)CCC3	ZINC000217513166	569880193	/nfs/dbraw/zinc/88/01/93/569880193.db2.gz	JSYZERWPNWZGEH-OKZBNKHCSA-N	0	0	460.530	3.165	40	70		JGIBRN
COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC)c(OC)c4)C3)o2)cc1	ZINC000216655051	569879228	/nfs/dbraw/zinc/87/92/28/569879228.db2.gz	UJOQAWPYFIWWEV-MRXNPFEDSA-N	0	0	459.524	3.331	40	70		JGIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1Cl	ZINC000216660008	569879328	/nfs/dbraw/zinc/87/93/28/569879328.db2.gz	TZTZDDXCTAYEJH-AWEZNQCLSA-N	0	0	463.947	3.455	40	70		JGIBRN
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)c1	ZINC000217424144	569879968	/nfs/dbraw/zinc/87/99/68/569879968.db2.gz	YBBQNWRHBKOWAL-AZUAARDMSA-N	0	0	463.559	3.217	40	70		JGIBRN
COC(=O)C[C@@H](c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O)C1CCCCC1	ZINC000217951443	569882196	/nfs/dbraw/zinc/88/21/96/569882196.db2.gz	VHQVZZNFXAUIPJ-FBBABVLZSA-N	0	0	482.577	3.353	40	70		JGIBRN
COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(OC)c(NC(C)=O)c4)CC3)o2)cc1	ZINC000216636020	569879172	/nfs/dbraw/zinc/87/91/72/569879172.db2.gz	CYZPGHBVSPIXPG-UHFFFAOYSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4OC)o3)C2)cc1OC	ZINC000216650483	569879215	/nfs/dbraw/zinc/87/92/15/569879215.db2.gz	FMJSCERQWGQERG-OAHLLOKOSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1cccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(OC)c(NC(C)=O)c4)C3)o2)c1	ZINC000216653121	569879221	/nfs/dbraw/zinc/87/92/21/569879221.db2.gz	SNJNSSCDNWORMQ-KRWDZBQOSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1cccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cc(OC)ccc4OC)C3)o2)c1	ZINC000216652888	569879245	/nfs/dbraw/zinc/87/92/45/569879245.db2.gz	UMQUTAXRXISESG-INIZCTEOSA-N	0	0	459.524	3.331	40	70		JGIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1N1CCN(C)CC1	ZINC000216791147	569879313	/nfs/dbraw/zinc/87/93/13/569879313.db2.gz	PVCASHUAVHJUTC-UHFFFAOYSA-N	0	0	490.935	3.271	40	70		JGIBRN
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1	ZINC000217423205	569880002	/nfs/dbraw/zinc/88/00/02/569880002.db2.gz	OZGUJRHWDLEGFS-RBUKOAKNSA-N	0	0	463.559	3.217	40	70		JGIBRN
C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H]3[C@@H](C)C(=O)C[C@@H]1c1ccco1	ZINC000217515523	569880201	/nfs/dbraw/zinc/88/02/01/569880201.db2.gz	SEYVRDQQSZQTJM-VLRUIHMTSA-N	0	0	474.557	3.218	40	70		JGIBRN
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217610006	569880547	/nfs/dbraw/zinc/88/05/47/569880547.db2.gz	YEOGNTRCDZYZBO-KFWWJZLASA-N	0	0	468.941	3.216	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000216787717	569879346	/nfs/dbraw/zinc/87/93/46/569879346.db2.gz	TXQUETGFIOOIMT-UHFFFAOYSA-N	0	0	458.367	3.190	40	70		JGIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1N1CCN(C)CC1	ZINC000216793610	569879430	/nfs/dbraw/zinc/87/94/30/569879430.db2.gz	GLSCSOUOOGYKJS-UHFFFAOYSA-N	0	0	452.580	3.142	40	70		JGIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c(C)c1	ZINC000216880602	569879840	/nfs/dbraw/zinc/87/98/40/569879840.db2.gz	OAFIZNOAOHYVPJ-QGZVFWFLSA-N	0	0	450.004	3.384	40	70		JGIBRN
COc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(OC)c(NC(C)=O)c4)CC3)o2)c1	ZINC000216634886	569879169	/nfs/dbraw/zinc/87/91/69/569879169.db2.gz	UQVUNNADIDKUQA-UHFFFAOYSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1ccccc1-c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)o1	ZINC000216651446	569879218	/nfs/dbraw/zinc/87/92/18/569879218.db2.gz	YWYFLNMABHSTJR-INIZCTEOSA-N	0	0	456.524	3.272	40	70		JGIBRN
COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(OC)c(OC)c4)C3)o2)cc1	ZINC000216655092	569879236	/nfs/dbraw/zinc/87/92/36/569879236.db2.gz	UJOQAWPYFIWWEV-INIZCTEOSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1cccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4cc(OC)ccc4OC)C3)o2)c1	ZINC000216652840	569879239	/nfs/dbraw/zinc/87/92/39/569879239.db2.gz	UMQUTAXRXISESG-MRXNPFEDSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1ccccc1-c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)o1	ZINC000216651406	569879240	/nfs/dbraw/zinc/87/92/40/569879240.db2.gz	YWYFLNMABHSTJR-MRXNPFEDSA-N	0	0	456.524	3.272	40	70		JGIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C	ZINC000216873418	569879817	/nfs/dbraw/zinc/87/98/17/569879817.db2.gz	BIWHQLQRTACDRT-KRWDZBQOSA-N	0	0	450.004	3.384	40	70		JGIBRN
CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)N1CCc2c([nH]c3ccccc32)C1	ZINC000217634288	569880829	/nfs/dbraw/zinc/88/08/29/569880829.db2.gz	LPSQZYAWWPZQLP-ANSQWYIGSA-N	0	0	487.604	3.068	40	70		JGIBRN
COc1ccc(CNC(=O)c2ccccc2NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217992638	569882361	/nfs/dbraw/zinc/88/23/61/569882361.db2.gz	VOWCBEIGVXIOKM-VQTJNVASSA-N	0	0	472.545	3.438	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1NC(C)=O	ZINC000216644133	569879176	/nfs/dbraw/zinc/87/91/76/569879176.db2.gz	XEJJPFGYKRMRKH-HNNXBMFYSA-N	0	0	474.514	3.411	40	70		JGIBRN
COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)o2)cc1	ZINC000216655946	569879223	/nfs/dbraw/zinc/87/92/23/569879223.db2.gz	OCVSPOWZUCWTGC-QGZVFWFLSA-N	0	0	456.524	3.272	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4OC)o3)C2)cc1NC(C)=O	ZINC000216650830	569879231	/nfs/dbraw/zinc/87/92/31/569879231.db2.gz	BDPCBASWCAITQZ-MRXNPFEDSA-N	0	0	486.550	3.281	40	70		JGIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1C	ZINC000216881219	569879820	/nfs/dbraw/zinc/87/98/20/569879820.db2.gz	ORZPAIQCUUTAKE-KRWDZBQOSA-N	0	0	450.004	3.384	40	70		JGIBRN
CC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217562478	569880350	/nfs/dbraw/zinc/88/03/50/569880350.db2.gz	TWHYUJMNEOBVOW-RBBKRZOGSA-N	0	0	456.546	3.360	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1NC(C)=O	ZINC000216629073	569879173	/nfs/dbraw/zinc/87/91/73/569879173.db2.gz	FICNMDPERLAZCE-UHFFFAOYSA-N	0	0	474.514	3.411	40	70		JGIBRN
COc1cccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC)c(OC)c4)C3)o2)c1	ZINC000216652714	569879217	/nfs/dbraw/zinc/87/92/17/569879217.db2.gz	HGRBVGUSMMWFRG-MRXNPFEDSA-N	0	0	459.524	3.331	40	70		JGIBRN
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CCN(C)CC1	ZINC000216791398	569879326	/nfs/dbraw/zinc/87/93/26/569879326.db2.gz	KZCYDTFAPAUWNE-UHFFFAOYSA-N	0	0	480.590	3.391	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000216787787	569879336	/nfs/dbraw/zinc/87/93/36/569879336.db2.gz	SCGKPFDJEAMRKT-UHFFFAOYSA-N	0	0	458.367	3.190	40	70		JGIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N1CCN(C)CC1	ZINC000216794202	569879448	/nfs/dbraw/zinc/87/94/48/569879448.db2.gz	JTZFZCZEGMAUIM-UHFFFAOYSA-N	0	0	470.517	3.008	40	70		JGIBRN
C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216878860	569879885	/nfs/dbraw/zinc/87/98/85/569879885.db2.gz	KZCSHVSBDAPIIN-QGZVFWFLSA-N	0	0	450.004	3.027	40	70		JGIBRN
Cc1c(O[C@H](C)C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)ccc2c3c(c(=O)oc12)CCC3	ZINC000217513251	569880169	/nfs/dbraw/zinc/88/01/69/569880169.db2.gz	JSYZERWPNWZGEH-FGTMMUONSA-N	0	0	460.530	3.165	40	70		JGIBRN
COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)[C@H]4C2=O)cc1	ZINC000217698180	569881024	/nfs/dbraw/zinc/88/10/24/569881024.db2.gz	OGBTXWYUPRCYQA-QOPUPAQMSA-N	0	0	494.544	3.203	40	70		JGIBRN
COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4cc(OC)ccc4OC)CC3)o2)cc1	ZINC000216635950	569879158	/nfs/dbraw/zinc/87/91/58/569879158.db2.gz	CWVYUEGJDCJKLB-UHFFFAOYSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4OC)o3)CC2)cc1NC(C)=O	ZINC000216633717	569879167	/nfs/dbraw/zinc/87/91/67/569879167.db2.gz	HKYGNMFYQACFEO-UHFFFAOYSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)o2)c1	ZINC000216634680	569879180	/nfs/dbraw/zinc/87/91/80/569879180.db2.gz	IFCWMJNCKMQIQR-UHFFFAOYSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1cccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(OC)c(OC)c4)C3)o2)c1	ZINC000216652765	569879226	/nfs/dbraw/zinc/87/92/26/569879226.db2.gz	HGRBVGUSMMWFRG-INIZCTEOSA-N	0	0	459.524	3.331	40	70		JGIBRN
C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216871383	569879787	/nfs/dbraw/zinc/87/97/87/569879787.db2.gz	FASBYSNPXDUDQD-KRWDZBQOSA-N	0	0	450.004	3.027	40	70		JGIBRN
C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216878822	569879869	/nfs/dbraw/zinc/87/98/69/569879869.db2.gz	KZCSHVSBDAPIIN-KRWDZBQOSA-N	0	0	450.004	3.027	40	70		JGIBRN
O=C(Nc1ccc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc1)c1ccc2c(c1)OCCCO2	ZINC000217552217	569880337	/nfs/dbraw/zinc/88/03/37/569880337.db2.gz	IHUAYLPCDCLETH-PKOBYXMFSA-N	0	0	458.518	3.281	40	70		JGIBRN
COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)o2)cc1	ZINC000216635879	569879179	/nfs/dbraw/zinc/87/91/79/569879179.db2.gz	MZHHVYLKNLDNDN-UHFFFAOYSA-N	0	0	459.524	3.331	40	70		JGIBRN
COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216784704	569879339	/nfs/dbraw/zinc/87/93/39/569879339.db2.gz	GVNTYGXZRMFMLK-UHFFFAOYSA-N	0	0	458.367	3.190	40	70		JGIBRN
CN1CCN(C(=O)c2ccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccccc3)cc2)CC1	ZINC000216797407	569879382	/nfs/dbraw/zinc/87/93/82/569879382.db2.gz	RRBNMIWGOYSVRC-UHFFFAOYSA-N	0	0	498.649	3.036	40	70		JGIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1	ZINC000216879357	569879883	/nfs/dbraw/zinc/87/98/83/569879883.db2.gz	MQUMKGSOTXSQOM-KRWDZBQOSA-N	0	0	450.004	3.384	40	70		JGIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C	ZINC000216873376	569879887	/nfs/dbraw/zinc/87/98/87/569879887.db2.gz	BIWHQLQRTACDRT-QGZVFWFLSA-N	0	0	450.004	3.384	40	70		JGIBRN
COc1ccc(OC)c(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)c1	ZINC000217478283	569880107	/nfs/dbraw/zinc/88/01/07/569880107.db2.gz	ULJJPJQUJPEHNW-DBOLQNLKSA-N	0	0	454.910	3.192	40	70		JGIBRN
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000217609912	569880576	/nfs/dbraw/zinc/88/05/76/569880576.db2.gz	YEOGNTRCDZYZBO-ZNMIVQPWSA-N	0	0	468.941	3.216	40	70		JGIBRN
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cncnc4C)o3)CC2)cc1Cl	ZINC000216638776	569879159	/nfs/dbraw/zinc/87/91/59/569879159.db2.gz	VUKGVWKUYPSANE-UHFFFAOYSA-N	0	0	463.947	3.455	40	70		JGIBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4OC)o3)C2)c1	ZINC000216650640	569879212	/nfs/dbraw/zinc/87/92/12/569879212.db2.gz	JUUZMGHWWOYOBW-HNNXBMFYSA-N	0	0	459.524	3.331	40	70		JGIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)cc1Cl	ZINC000216659964	569879272	/nfs/dbraw/zinc/87/92/72/569879272.db2.gz	TZTZDDXCTAYEJH-CQSZACIVSA-N	0	0	463.947	3.455	40	70		JGIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccc(C)cc1	ZINC000216880838	569879876	/nfs/dbraw/zinc/87/98/76/569879876.db2.gz	LIMFIQYCPPRBOL-NRFANRHFSA-N	0	0	450.004	3.466	40	70		JGIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1	ZINC000216872816	569879889	/nfs/dbraw/zinc/87/98/89/569879889.db2.gz	XOIGGWUMVQYDEH-KRWDZBQOSA-N	0	0	450.004	3.384	40	70		JGIBRN
C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(O2)[C@@H]1C(=O)N1[C@@H]3[C@@H](C)C(=O)C[C@@H]1c1ccco1	ZINC000217515610	569880204	/nfs/dbraw/zinc/88/02/04/569880204.db2.gz	SEYVRDQQSZQTJM-DOWPDYFHSA-N	0	0	474.557	3.218	40	70		JGIBRN
O=C(Nc1ccc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc1)c1cc(=O)c2ccccc2o1	ZINC000217549668	569880329	/nfs/dbraw/zinc/88/03/29/569880329.db2.gz	OICMMOJEUAGSFO-DLBZAZTESA-N	0	0	454.486	3.226	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1NC(C)=O	ZINC000216629640	569879204	/nfs/dbraw/zinc/87/92/04/569879204.db2.gz	QFHIOOPPNWJLAM-UHFFFAOYSA-N	0	0	474.514	3.411	40	70		JGIBRN
COc1cccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC)c(NC(C)=O)c4)C3)o2)c1	ZINC000216653075	569879230	/nfs/dbraw/zinc/87/92/30/569879230.db2.gz	SNJNSSCDNWORMQ-QGZVFWFLSA-N	0	0	486.550	3.281	40	70		JGIBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4OC)o3)C2)cc1OC	ZINC000216650528	569879233	/nfs/dbraw/zinc/87/92/33/569879233.db2.gz	FMJSCERQWGQERG-HNNXBMFYSA-N	0	0	459.524	3.331	40	70		JGIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1Cl	ZINC000216657837	569879309	/nfs/dbraw/zinc/87/93/09/569879309.db2.gz	PFUKCJLRCRXCTB-AWEZNQCLSA-N	0	0	463.947	3.455	40	70		JGIBRN
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CCN(C)CC1	ZINC000216794024	569879361	/nfs/dbraw/zinc/87/93/61/569879361.db2.gz	BGTAXEDXXIEZEF-UHFFFAOYSA-N	0	0	471.410	3.296	40	70		JGIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c(C)c1	ZINC000216880643	569879837	/nfs/dbraw/zinc/87/98/37/569879837.db2.gz	OAFIZNOAOHYVPJ-KRWDZBQOSA-N	0	0	450.004	3.384	40	70		JGIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccc(C)cc1	ZINC000216880801	569879851	/nfs/dbraw/zinc/87/98/51/569879851.db2.gz	LIMFIQYCPPRBOL-OAQYLSRUSA-N	0	0	450.004	3.466	40	70		JGIBRN
COC(=O)C[C@H](c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O)C1CCCCC1	ZINC000217951513	569882215	/nfs/dbraw/zinc/88/22/15/569882215.db2.gz	VHQVZZNFXAUIPJ-DSKINZAPSA-N	0	0	482.577	3.353	40	70		JGIBRN