smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(I)c2c(c1[O-])CNC2=O	ZINC000089211105	277380742	/nfs/dbraw/zinc/38/07/42/277380742.db2.gz	AFKJEADJAAMROH-UHFFFAOYSA-N	-1	3	305.071	1.249	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Cn2cncn2)C1	ZINC000193081357	408692731	/nfs/dbraw/zinc/69/27/31/408692731.db2.gz	LNFQVOIBUBBPSB-LLVKDONJSA-N	-1	3	302.334	1.242	10	10		DDCEHM
CC(=O)c1cc(F)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1[O-]	ZINC000175646053	408176789	/nfs/dbraw/zinc/17/67/89/408176789.db2.gz	JMAIBVSSYIMEQC-VXGBXAGGSA-N	-1	3	324.396	1.621	10	10		DDCEHM
CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1	ZINC000177679167	408683174	/nfs/dbraw/zinc/68/31/74/408683174.db2.gz	CFPHQEKYWJVQII-LBPRGKRZSA-N	-1	3	320.389	1.927	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2nccs2)C1	ZINC000193062270	408690437	/nfs/dbraw/zinc/69/04/37/408690437.db2.gz	NKAXWRBAXUAGDV-LLVKDONJSA-N	-1	3	306.343	1.768	10	10		DDCEHM
Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)c1	ZINC000193065135	408689777	/nfs/dbraw/zinc/68/97/77/408689777.db2.gz	SWZGTMRLCLCAGZ-LBPRGKRZSA-N	-1	3	317.345	1.144	10	10		DDCEHM
Cc1cc(I)cc([C@H]([NH3+])C(=O)[O-])c1[O-]	ZINC000072197105	191074517	/nfs/dbraw/zinc/07/45/17/191074517.db2.gz	KAAKDTLRZSSFCZ-ZETCQYMHSA-N	-1	3	307.087	1.390	10	10		DDCEHM
CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000188355121	519876420	/nfs/dbraw/zinc/87/64/20/519876420.db2.gz	GWGYRWAQUPQIJA-NSHDSACASA-N	-1	3	306.362	1.619	10	10		DDCEHM
CC(=O)c1cc(F)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[O-]	ZINC000175646072	408177490	/nfs/dbraw/zinc/17/74/90/408177490.db2.gz	JMAIBVSSYIMEQC-NWDGAFQWSA-N	-1	3	324.396	1.621	10	10		DDCEHM
Cc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c([O-])c1O	ZINC000182425689	526121373	/nfs/dbraw/zinc/12/13/73/526121373.db2.gz	HOMGOSVGSLHKIJ-LBPRGKRZSA-N	-1	3	317.345	1.144	10	10		DDCEHM
Cc1cnn(C[C@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)c1	ZINC000193065148	408689589	/nfs/dbraw/zinc/68/95/89/408689589.db2.gz	SWZGTMRLCLCAGZ-GFCCVEGCSA-N	-1	3	317.345	1.144	10	10		DDCEHM
Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c([O-])c1O	ZINC000182819050	408257650	/nfs/dbraw/zinc/25/76/50/408257650.db2.gz	BCVJZRNJINICJR-JTQLQIEISA-N	-1	3	316.361	1.825	10	10		DDCEHM
CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCN1CCOC	ZINC000182464989	523423944	/nfs/dbraw/zinc/42/39/44/523423944.db2.gz	ZHKYKXSSDYUMPC-CYBMUJFWSA-N	-1	3	322.405	1.589	10	10		DDCEHM
COc1cc(O)c2c(c1)C(=O)c1cc(CO)cc([O-])c1C2=O	ZINC000014811257	560226340	/nfs/dbraw/zinc/22/63/40/560226340.db2.gz	WJXSYUJKJSOJOG-UHFFFAOYSA-N	-1	3	300.266	1.374	10	10	biogenic,in-vitro	DDCEHM
CC(C)[C@@H](NCc1cc(Br)cc(F)c1[O-])C(N)=O	ZINC000715744988	539568368	/nfs/dbraw/zinc/56/83/68/539568368.db2.gz	LQMHNSZIJRFUMM-SNVBAGLBSA-N	-1	3	319.174	1.893	10	10		DDCEHM
CCn1cnnc1C1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000188453650	523581177	/nfs/dbraw/zinc/58/11/77/523581177.db2.gz	DMIZFZYPTDRVMV-UHFFFAOYSA-N	-1	3	316.361	1.729	10	10		DDCEHM
CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C[C@@H](C)O	ZINC000193152465	408703410	/nfs/dbraw/zinc/70/34/10/408703410.db2.gz	KKGGDLIBISGYMY-VXGBXAGGSA-N	-1	3	308.378	1.015	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCC(Cn2cccn2)CC1	ZINC000193081303	408691618	/nfs/dbraw/zinc/69/16/18/408691618.db2.gz	RQHDFOHSKKZENY-UHFFFAOYSA-N	-1	3	301.346	1.847	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCC(Nc2cccnn2)CC1	ZINC000185662407	407471535	/nfs/dbraw/zinc/47/15/35/407471535.db2.gz	HEFBJTKBPMBARS-UHFFFAOYSA-N	-1	3	314.345	1.605	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2nccs2)C1	ZINC000193062250	408689379	/nfs/dbraw/zinc/68/93/79/408689379.db2.gz	NKAXWRBAXUAGDV-NSHDSACASA-N	-1	3	306.343	1.768	10	10		DDCEHM
Cc1nnc(CN2CCN(Cc3cccc(F)c3[O-])CC2)[nH]1	ZINC000895264988	711471248	/nfs/dbraw/zinc/47/12/48/711471248.db2.gz	HURCDRKDNQJPNP-UHFFFAOYSA-N	-1	3	305.357	1.276	10	10		DDCEHM
Cc1noc([C@H](C)N2CCN(Cc3ccccc3[O-])CC2)n1	ZINC000179572102	407806039	/nfs/dbraw/zinc/80/60/39/407806039.db2.gz	AURAPJKUDGHOJL-LBPRGKRZSA-N	-1	3	302.378	1.962	10	10		DDCEHM
Cc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c([O-])c1O	ZINC000179524300	407803733	/nfs/dbraw/zinc/80/37/33/407803733.db2.gz	YEJVHRCOPNIONE-GXTWGEPZSA-N	-1	3	320.389	1.199	10	10		DDCEHM
Cc1cc([O-])c([C@H]([NH3+])C(=O)[O-])cc1I	ZINC000072197103	301369569	/nfs/dbraw/zinc/36/95/69/301369569.db2.gz	MGNUPHOPSMAHOG-QMMMGPOBSA-N	-1	3	307.087	1.390	10	10		DDCEHM
Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-]	ZINC000193127547	408700871	/nfs/dbraw/zinc/70/08/71/408700871.db2.gz	RRVXQNVPAYNTBU-LBPRGKRZSA-N	-1	3	301.346	1.908	10	10		DDCEHM
CCOc1ccnc(N2CCN(Cc3ccccc3[O-])CC2)n1	ZINC000179572182	407805492	/nfs/dbraw/zinc/80/54/92/407805492.db2.gz	CEXNLMVAEMGLEU-UHFFFAOYSA-N	-1	3	314.389	1.903	10	10		DDCEHM
CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C)c(O)c1[O-])CC2	ZINC000182451215	408165235	/nfs/dbraw/zinc/16/52/35/408165235.db2.gz	NJAMTPWSCIXCPE-SNVBAGLBSA-N	-1	3	316.361	1.305	10	10		DDCEHM
CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1	ZINC000294028439	409229216	/nfs/dbraw/zinc/22/92/16/409229216.db2.gz	VLXCBUDAAWXGTE-LLVKDONJSA-N	-1	3	301.383	1.788	10	10		DDCEHM
COC(=O)c1ccccc1NC=C1SC([N-]C(C)=O)=NC1=O	ZINC000618255047	422522698	/nfs/dbraw/zinc/52/26/98/422522698.db2.gz	OAIXMVXVTAZYIB-XFFZJAGNSA-N	-1	3	319.342	1.492	10	10		DDCEHM
CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCN1CCOC	ZINC000182465010	523255775	/nfs/dbraw/zinc/25/57/75/523255775.db2.gz	ZHKYKXSSDYUMPC-ZDUSSCGKSA-N	-1	3	322.405	1.589	10	10		DDCEHM
CCOCCN1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C	ZINC000193075454	697649779	/nfs/dbraw/zinc/64/97/79/697649779.db2.gz	HJDSUNYGTIQFKP-LBPRGKRZSA-N	-1	3	308.378	1.281	10	10		DDCEHM
Cn1nccc1C1CCN(C(=O)c2cccc(O)c2[O-])CC1	ZINC000193080581	408691745	/nfs/dbraw/zinc/69/17/45/408691745.db2.gz	FVBROQZWKXLLKI-UHFFFAOYSA-N	-1	3	301.346	1.851	10	10		DDCEHM
Cc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c([O-])c1O	ZINC000182458640	526129835	/nfs/dbraw/zinc/12/98/35/526129835.db2.gz	WQXCMTODIDIFQJ-NSHDSACASA-N	-1	3	301.346	1.769	10	10		DDCEHM
Cc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c([O-])c1O	ZINC000189225279	526081337	/nfs/dbraw/zinc/08/13/37/526081337.db2.gz	ZYFQJCJMPXABCQ-UHFFFAOYSA-N	-1	3	304.346	1.147	10	10		DDCEHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc2n1CCCC2	ZINC000193137373	222145596	/nfs/dbraw/zinc/14/55/96/222145596.db2.gz	JULQKKGESUFMNW-SECBINFHSA-N	-1	3	302.334	1.517	10	10		DDCEHM
CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(F)c2[O-])C1	ZINC000294029506	409229204	/nfs/dbraw/zinc/22/92/04/409229204.db2.gz	VLXCBUDAAWXGTE-NSHDSACASA-N	-1	3	301.383	1.788	10	10		DDCEHM
CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000187079442	407819789	/nfs/dbraw/zinc/81/97/89/407819789.db2.gz	CHHUIELGVOQQCT-LLVKDONJSA-N	-1	3	316.361	1.729	10	10		DDCEHM
CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1CCOC	ZINC000193075601	408690072	/nfs/dbraw/zinc/69/00/72/408690072.db2.gz	PSVNAACHEUWXNY-GFCCVEGCSA-N	-1	3	308.378	1.281	10	10		DDCEHM
O=C(O[C@@H]1COc2ccccc2C1)c1cc(O)c([O-])c(O)c1	ZINC000006583253	181357076	/nfs/dbraw/zinc/35/70/76/181357076.db2.gz	DHZFJGMXZNYFJY-NSHDSACASA-N	-1	3	302.282	1.964	10	10		DDCEHM
COc1cc([O-])c2c(c1)C(=O)c1c(O)c(C)cc(O)c1C2=O	ZINC000014760938	406877328	/nfs/dbraw/zinc/87/73/28/406877328.db2.gz	VUUONEBXXLQCQX-UHFFFAOYSA-N	-1	3	300.266	1.896	10	10	biogenic,in-vitro	DDCEHM
CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCN1C[C@@H](C)O	ZINC000182520727	523255636	/nfs/dbraw/zinc/25/56/36/523255636.db2.gz	GFSQBSOSLZZKAM-OLZOCXBDSA-N	-1	3	322.405	1.323	10	10		DDCEHM
O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(O)c1[O-]	ZINC000185677909	407476247	/nfs/dbraw/zinc/47/62/47/407476247.db2.gz	XRCOHXIBXJDHNT-LLVKDONJSA-N	-1	3	314.345	1.287	10	10		DDCEHM
Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c(O)c1[O-]	ZINC000182575277	527189430	/nfs/dbraw/zinc/18/94/30/527189430.db2.gz	OJSHUMUAGDOARO-LLVKDONJSA-N	-1	3	302.334	1.571	10	10		DDCEHM
CCOCCN1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C	ZINC000193075463	697649920	/nfs/dbraw/zinc/64/99/20/697649920.db2.gz	HJDSUNYGTIQFKP-GFCCVEGCSA-N	-1	3	308.378	1.281	10	10		DDCEHM
Cc1noc([C@@H](C)N2CCN(Cc3ccccc3[O-])CC2)n1	ZINC000179572091	407805955	/nfs/dbraw/zinc/80/59/55/407805955.db2.gz	AURAPJKUDGHOJL-GFCCVEGCSA-N	-1	3	302.378	1.962	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCCN(c2cccnn2)CC1	ZINC000187107725	407821382	/nfs/dbraw/zinc/82/13/82/407821382.db2.gz	BQYNQISPIPVNEI-UHFFFAOYSA-N	-1	3	314.345	1.240	10	10		DDCEHM
CC[C@@H](O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000175682903	408184748	/nfs/dbraw/zinc/18/47/48/408184748.db2.gz	BYZYWCFWTQDTJL-OAHLLOKOSA-N	-1	3	324.396	1.622	10	10		DDCEHM
CCc1nnc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)[nH]1	ZINC000183262029	408365162	/nfs/dbraw/zinc/36/51/62/408365162.db2.gz	AYVJERIYLDGUGT-ZDUSSCGKSA-N	-1	3	306.341	1.785	10	10		DDCEHM
CC(C)c1nnc2n1C[C@@H](NC(=O)c1cccc(O)c1[O-])CC2	ZINC000192999450	408679348	/nfs/dbraw/zinc/67/93/48/408679348.db2.gz	FDZKQTAYQREZHV-JTQLQIEISA-N	-1	3	316.361	1.558	10	10		DDCEHM
Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c([O-])c1O	ZINC000182819070	408257101	/nfs/dbraw/zinc/25/71/01/408257101.db2.gz	BCVJZRNJINICJR-SNVBAGLBSA-N	-1	3	316.361	1.825	10	10		DDCEHM
Cc1cnn(C[C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)c1	ZINC000180117582	526264652	/nfs/dbraw/zinc/26/46/52/526264652.db2.gz	UQZFFTFOFWVFRX-HNNXBMFYSA-N	-1	3	305.353	1.937	10	10		DDCEHM
CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])CC2	ZINC000182451238	408164816	/nfs/dbraw/zinc/16/48/16/408164816.db2.gz	NJAMTPWSCIXCPE-JTQLQIEISA-N	-1	3	316.361	1.305	10	10		DDCEHM
CCc1nnc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)[nH]1	ZINC000183262049	408366276	/nfs/dbraw/zinc/36/62/76/408366276.db2.gz	AYVJERIYLDGUGT-CYBMUJFWSA-N	-1	3	306.341	1.785	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CCC[C@H](Cn2cncn2)C1	ZINC000193081347	408692685	/nfs/dbraw/zinc/69/26/85/408692685.db2.gz	LNFQVOIBUBBPSB-NSHDSACASA-N	-1	3	302.334	1.242	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2cccnc2)C1	ZINC000187191893	407832007	/nfs/dbraw/zinc/83/20/07/407832007.db2.gz	NTKCNONRLPEWAQ-GFCCVEGCSA-N	-1	3	300.314	1.786	10	10		DDCEHM
CC(C)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000128943112	519813116	/nfs/dbraw/zinc/81/31/16/519813116.db2.gz	QEYXJGMPTZPRRO-VIFPVBQESA-N	-1	3	300.380	1.538	10	10		DDCEHM
CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cccc(O)c1[O-])CC2	ZINC000193132144	222143982	/nfs/dbraw/zinc/14/39/82/222143982.db2.gz	GESGOQTWXOYIQL-JTQLQIEISA-N	-1	3	316.361	1.558	10	10		DDCEHM
COCCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C	ZINC000175646653	408178785	/nfs/dbraw/zinc/17/87/85/408178785.db2.gz	FCWUBRFRGJXUCD-LBPRGKRZSA-N	-1	3	324.396	1.886	10	10		DDCEHM
CC(=O)[N-]C1=NC(=O)C(=CNc2ccc(NC(C)=O)cc2)S1	ZINC000618255056	422523226	/nfs/dbraw/zinc/52/32/26/422523226.db2.gz	OKLMUZTZZMZMOK-GHXNOFRVSA-N	-1	3	318.358	1.664	10	10		DDCEHM
Nc1ccc(O)c2c1C(=O)c1c([O-])cc(Cl)c(N)c1C2=O	ZINC000005420589	406732471	/nfs/dbraw/zinc/73/24/71/406732471.db2.gz	SIRMWLMEYFPGAD-UHFFFAOYSA-N	-1	3	304.689	1.691	10	10	aggregator	DDCEHM
Cc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c([O-])c1O	ZINC000182481596	408175695	/nfs/dbraw/zinc/17/56/95/408175695.db2.gz	XXNLETFIUDDHPY-GFCCVEGCSA-N	-1	3	316.361	1.550	10	10		DDCEHM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(O)c1[O-]	ZINC000182575293	527188126	/nfs/dbraw/zinc/18/81/26/527188126.db2.gz	OJSHUMUAGDOARO-NSHDSACASA-N	-1	3	302.334	1.571	10	10		DDCEHM
CC(=O)c1cc(F)cc(CN2CCO[C@H](CN(C)C)C2)c1[O-]	ZINC000175653766	408177609	/nfs/dbraw/zinc/17/76/09/408177609.db2.gz	MDDBKZLNBQOTOP-CQSZACIVSA-N	-1	3	310.369	1.496	10	10		DDCEHM
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(O)c1[O-]	ZINC000182588204	408200355	/nfs/dbraw/zinc/20/03/55/408200355.db2.gz	NBTUBKFRGZKWPK-NSHDSACASA-N	-1	3	316.361	1.825	10	10		DDCEHM
CCCNC(=O)CNCc1cc(Br)ccc1[O-]	ZINC000227434913	222206206	/nfs/dbraw/zinc/20/62/06/222206206.db2.gz	PQGSBOKCNZNZHM-UHFFFAOYSA-N	-1	3	301.184	1.771	10	10		DDCEHM
O=C(OCCc1ccc(O)c(O)c1)c1cc(O)c([O-])c(O)c1	ZINC000013438129	581099735	/nfs/dbraw/zinc/09/97/35/581099735.db2.gz	QXRABVWZNGKJQT-UHFFFAOYSA-N	-1	3	306.270	1.614	10	10		DDCEHM
CC(C)[C@H](NCc1cc(Br)cc(F)c1[O-])C(N)=O	ZINC000715744986	539568333	/nfs/dbraw/zinc/56/83/33/539568333.db2.gz	LQMHNSZIJRFUMM-JTQLQIEISA-N	-1	3	319.174	1.893	10	10		DDCEHM
CCn1c([O-])c(C(=N)C(C)C)c2c(c1=O)CN(C(C)=O)CC2	ZINC000255967541	202911995	/nfs/dbraw/zinc/91/19/95/202911995.db2.gz	CPXLOHDGFBMMHB-UHFFFAOYSA-N	-1	3	305.378	1.502	10	10		DDCEHM
CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C[C@@H](C)O	ZINC000193152476	408702005	/nfs/dbraw/zinc/70/20/05/408702005.db2.gz	KKGGDLIBISGYMY-NEPJUHHUSA-N	-1	3	308.378	1.015	10	10		DDCEHM
Cc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c([O-])c1O	ZINC000182458656	526124320	/nfs/dbraw/zinc/12/43/20/526124320.db2.gz	WQXCMTODIDIFQJ-LLVKDONJSA-N	-1	3	301.346	1.769	10	10		DDCEHM
CC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000177259255	697411327	/nfs/dbraw/zinc/41/13/27/697411327.db2.gz	BHAYSGGMBVLOGP-CQSZACIVSA-N	-1	3	308.353	1.834	10	10		DDCEHM
COCCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C	ZINC000175646629	408178503	/nfs/dbraw/zinc/17/85/03/408178503.db2.gz	FCWUBRFRGJXUCD-GFCCVEGCSA-N	-1	3	324.396	1.886	10	10		DDCEHM
Cc1cnn(C[C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)c1	ZINC000180117600	526265103	/nfs/dbraw/zinc/26/51/03/526265103.db2.gz	UQZFFTFOFWVFRX-OAHLLOKOSA-N	-1	3	305.353	1.937	10	10		DDCEHM
CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1CCOC	ZINC000193075616	408688637	/nfs/dbraw/zinc/68/86/37/408688637.db2.gz	PSVNAACHEUWXNY-LBPRGKRZSA-N	-1	3	308.378	1.281	10	10		DDCEHM
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(O)c1[O-]	ZINC000185827090	407513591	/nfs/dbraw/zinc/51/35/91/407513591.db2.gz	QCCRMCAYNOSROI-SNVBAGLBSA-N	-1	3	302.334	1.517	10	10		DDCEHM
Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1[O-]	ZINC000123402100	407327641	/nfs/dbraw/zinc/32/76/41/407327641.db2.gz	JGCRVTOBZOQRMX-SNVBAGLBSA-N	-1	3	303.811	1.973	10	10		DDCEHM
CC[C@H](O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1	ZINC000175682885	408182886	/nfs/dbraw/zinc/18/28/86/408182886.db2.gz	BYZYWCFWTQDTJL-HNNXBMFYSA-N	-1	3	324.396	1.622	10	10		DDCEHM
Cc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c([O-])c1O	ZINC000182481578	408175749	/nfs/dbraw/zinc/17/57/49/408175749.db2.gz	XXNLETFIUDDHPY-LBPRGKRZSA-N	-1	3	316.361	1.550	10	10		DDCEHM
Cc1nc(C[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)no1	ZINC000193018810	408684951	/nfs/dbraw/zinc/68/49/51/408684951.db2.gz	JYVRTTPAHIVZSJ-LLVKDONJSA-N	-1	3	317.345	1.884	10	10		DDCEHM
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c([O-])c1O	ZINC000179524306	407804137	/nfs/dbraw/zinc/80/41/37/407804137.db2.gz	YEJVHRCOPNIONE-TZMCWYRMSA-N	-1	3	320.389	1.199	10	10		DDCEHM
Cc1nccn1C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-]	ZINC000193127557	408699113	/nfs/dbraw/zinc/69/91/13/408699113.db2.gz	RRVXQNVPAYNTBU-GFCCVEGCSA-N	-1	3	301.346	1.908	10	10		DDCEHM
CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cccc(O)c1[O-])CC2	ZINC000193132129	222144250	/nfs/dbraw/zinc/14/42/50/222144250.db2.gz	GESGOQTWXOYIQL-SNVBAGLBSA-N	-1	3	316.361	1.558	10	10		DDCEHM
CN(C)C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1	ZINC000191154002	222099031	/nfs/dbraw/zinc/09/90/31/222099031.db2.gz	LXBPRUXZKMWGSB-JTQLQIEISA-N	-1	3	302.777	1.947	10	10		DDCEHM
Cc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c([O-])c1O	ZINC000182425712	526117955	/nfs/dbraw/zinc/11/79/55/526117955.db2.gz	HOMGOSVGSLHKIJ-GFCCVEGCSA-N	-1	3	317.345	1.144	10	10		DDCEHM
O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2cccnc2)C1	ZINC000187191874	407830964	/nfs/dbraw/zinc/83/09/64/407830964.db2.gz	NTKCNONRLPEWAQ-LBPRGKRZSA-N	-1	3	300.314	1.786	10	10		DDCEHM
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1[O-]	ZINC000177240252	408559529	/nfs/dbraw/zinc/55/95/29/408559529.db2.gz	GXMOWGBMNCUVHD-CQSZACIVSA-N	-1	3	308.353	1.787	10	10		DDCEHM
CN(C)C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1	ZINC000191153983	222098136	/nfs/dbraw/zinc/09/81/36/222098136.db2.gz	LXBPRUXZKMWGSB-SNVBAGLBSA-N	-1	3	302.777	1.947	10	10		DDCEHM
CC(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000128942922	519792218	/nfs/dbraw/zinc/79/22/18/519792218.db2.gz	QEYXJGMPTZPRRO-SECBINFHSA-N	-1	3	300.380	1.538	10	10		DDCEHM
O=C1OC[N-]c2c1cc([N+](=O)[O-])c1c2C(=O)c2ccccc2C1=O	ZINC000005162653	275027102	/nfs/dbraw/zinc/02/71/02/275027102.db2.gz	RASPFILDTJZROS-UHFFFAOYSA-N	-1	3	324.248	1.910	10	10		DDCEHM
CC(=O)c1cc(F)cc(CN2CCO[C@@H](CN(C)C)C2)c1[O-]	ZINC000175653789	408178003	/nfs/dbraw/zinc/17/80/03/408178003.db2.gz	MDDBKZLNBQOTOP-AWEZNQCLSA-N	-1	3	310.369	1.496	10	10		DDCEHM
CC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1	ZINC000177259238	697411439	/nfs/dbraw/zinc/41/14/39/697411439.db2.gz	BHAYSGGMBVLOGP-AWEZNQCLSA-N	-1	3	308.353	1.834	10	10		DDCEHM
Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)no1	ZINC000193018796	408684966	/nfs/dbraw/zinc/68/49/66/408684966.db2.gz	JYVRTTPAHIVZSJ-NSHDSACASA-N	-1	3	317.345	1.884	10	10		DDCEHM
CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000187079461	407817011	/nfs/dbraw/zinc/81/70/11/407817011.db2.gz	CHHUIELGVOQQCT-NSHDSACASA-N	-1	3	316.361	1.729	10	10		DDCEHM
Cc1c([O-])cc2c(c1O)C(=O)[C@@H](O)[C@H](c1ccc(O)c(O)c1)O2	ZINC000014647563	280250407	/nfs/dbraw/zinc/25/04/07/280250407.db2.gz	KPCWWZLBHGSXPW-CVEARBPZSA-N	-1	3	318.281	1.495	10	10		DDCEHM
CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCN1C[C@@H](C)O	ZINC000182520707	523423529	/nfs/dbraw/zinc/42/35/29/523423529.db2.gz	GFSQBSOSLZZKAM-CHWSQXEVSA-N	-1	3	322.405	1.323	10	10		DDCEHM
CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c(O)c1[O-]	ZINC000182588224	408199182	/nfs/dbraw/zinc/19/91/82/408199182.db2.gz	NBTUBKFRGZKWPK-LLVKDONJSA-N	-1	3	316.361	1.825	10	10		DDCEHM
O=C(O[C@H]1COc2ccccc2C1)c1cc(O)c([O-])c(O)c1	ZINC000006583258	181356829	/nfs/dbraw/zinc/35/68/29/181356829.db2.gz	DHZFJGMXZNYFJY-LLVKDONJSA-N	-1	3	302.282	1.964	10	10		DDCEHM
Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c([O-])c1O	ZINC000179524320	407804036	/nfs/dbraw/zinc/80/40/36/407804036.db2.gz	YEJVHRCOPNIONE-OCCSQVGLSA-N	-1	3	320.389	1.199	10	10		DDCEHM
O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc(O)c1[O-]	ZINC000185677927	407475049	/nfs/dbraw/zinc/47/50/49/407475049.db2.gz	XRCOHXIBXJDHNT-NSHDSACASA-N	-1	3	314.345	1.287	10	10		DDCEHM
Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c([O-])c1O	ZINC000179524313	407802632	/nfs/dbraw/zinc/80/26/32/407802632.db2.gz	YEJVHRCOPNIONE-JSGCOSHPSA-N	-1	3	320.389	1.199	10	10		DDCEHM
CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(O)c1[O-])CC2	ZINC000192999437	408680769	/nfs/dbraw/zinc/68/07/69/408680769.db2.gz	FDZKQTAYQREZHV-SNVBAGLBSA-N	-1	3	316.361	1.558	10	10		DDCEHM
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1[O-]	ZINC000185827069	407514219	/nfs/dbraw/zinc/51/42/19/407514219.db2.gz	QCCRMCAYNOSROI-JTQLQIEISA-N	-1	3	302.334	1.517	10	10		DDCEHM
C[C@H](NC(=O)c1cccc(O)c1[O-])c1nnc2n1CCCC2	ZINC000193137362	222145513	/nfs/dbraw/zinc/14/55/13/222145513.db2.gz	JULQKKGESUFMNW-VIFPVBQESA-N	-1	3	302.334	1.517	10	10		DDCEHM
CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1	ZINC000188355095	519875543	/nfs/dbraw/zinc/87/55/43/519875543.db2.gz	GWGYRWAQUPQIJA-LLVKDONJSA-N	-1	3	306.362	1.619	10	10		DDCEHM
CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1	ZINC000177679153	408683084	/nfs/dbraw/zinc/68/30/84/408683084.db2.gz	CFPHQEKYWJVQII-GFCCVEGCSA-N	-1	3	320.389	1.927	10	10		DDCEHM