smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c(I)ccc([C@H]([NH3+])C(=O)[O-])c1O	ZINC000072197107	191074836	/nfs/dbraw/zinc/07/48/36/191074836.db2.gz	HRCSHZPDVSIBGY-YFKPBYRVSA-N	0	0	308.075	0.663	10	10		DCCERN
CCOC(=O)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1	ZINC000062460523	184238090	/nfs/dbraw/zinc/23/80/90/184238090.db2.gz	HNIKQHRZAURNQC-UHFFFAOYSA-N	0	0	306.366	0.981	10	10		DCCERN
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccco3)C(=N)N21	ZINC000096459631	658610315	/nfs/dbraw/zinc/61/03/15/658610315.db2.gz	PSPIIDFVWOIKGS-PMEZZHSESA-N	0	0	324.343	0.901	10	10		DCCERN
COc1cccc(CNC(=O)NCCCn2ccnn2)c1O	ZINC000182483432	665831325	/nfs/dbraw/zinc/83/13/25/665831325.db2.gz	RPAURBOYFSEPEH-UHFFFAOYSA-N	0	0	305.338	0.882	10	10		DCCERN
CC(=O)N1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000236578067	1180650887	/nfs/dbraw/zinc/65/08/87/1180650887.db2.gz	BWTWJRLVDFTWKX-UHFFFAOYSA-N	0	0	322.365	0.554	10	10		DCCERN
O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(O)c1O	ZINC000370506280	239177022	/nfs/dbraw/zinc/17/70/22/239177022.db2.gz	BCNRFGYLYUDTNS-GFCCVEGCSA-N	0	0	320.345	0.608	10	10		DCCERN
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)cc1	ZINC000093441358	415544581	/nfs/dbraw/zinc/54/45/81/415544581.db2.gz	AJGBCFHDYXDNJE-HOTGVXAUSA-N	0	0	320.389	0.631	10	10		DCCERN
COc1ccc(N2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)cc1	ZINC000124240770	415847793	/nfs/dbraw/zinc/84/77/93/415847793.db2.gz	HUIRAVFAVQSHFB-GFCCVEGCSA-N	0	0	320.393	0.791	10	10		DCCERN
CO[C@]1(C[NH2+]Cc2cccc(F)c2[O-])CCS(=O)(=O)C1	ZINC000721254331	662912061	/nfs/dbraw/zinc/91/20/61/662912061.db2.gz	JINMFCOGNORVTR-ZDUSSCGKSA-N	0	0	303.355	0.825	10	10		DCCERN
CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(CCO)CC1	ZINC000062460749	184238092	/nfs/dbraw/zinc/23/80/92/184238092.db2.gz	UEYNGMWCCSARHL-OAHLLOKOSA-N	0	0	306.410	0.596	10	10		DCCERN
CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703286117	667076597	/nfs/dbraw/zinc/07/65/97/667076597.db2.gz	NADSTSYRNSAPMF-ZJUUUORDSA-N	0	0	307.318	0.572	10	10		DCCERN
CCS(=O)(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1	ZINC000175769847	1184114298	/nfs/dbraw/zinc/11/42/98/1184114298.db2.gz	VUKFMNRQWXVBOG-UHFFFAOYSA-N	0	0	313.423	0.650	10	10		DCCERN
CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCN(CCO)CC1	ZINC000062460744	184238037	/nfs/dbraw/zinc/23/80/37/184238037.db2.gz	UEYNGMWCCSARHL-HNNXBMFYSA-N	0	0	306.410	0.596	10	10		DCCERN
CO[C@@]1(C[NH2+]Cc2cccc(F)c2[O-])CCS(=O)(=O)C1	ZINC000721254329	662912165	/nfs/dbraw/zinc/91/21/65/662912165.db2.gz	JINMFCOGNORVTR-CYBMUJFWSA-N	0	0	303.355	0.825	10	10		DCCERN
C[C@@H](C1CC1)n1nccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000060865274	664576704	/nfs/dbraw/zinc/57/67/04/664576704.db2.gz	HGRPKXUUGPSDRN-ZETCQYMHSA-N	0	0	305.363	0.681	10	10		DCCERN
COc1ccc(O)c(CNC(=O)c2cc(C(N)=O)cn2C)c1	ZINC000132838604	669750038	/nfs/dbraw/zinc/75/00/38/669750038.db2.gz	GNAWEBOSXLDGRZ-UHFFFAOYSA-N	0	0	303.318	0.768	10	10		DCCERN
CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000243790848	1182708326	/nfs/dbraw/zinc/70/83/26/1182708326.db2.gz	QKQNTZAUKROYOK-LLVKDONJSA-N	0	0	313.375	0.676	10	10		DCCERN
CN1CCCc2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)ccc21	ZINC000155171792	396047678	/nfs/dbraw/zinc/04/76/78/396047678.db2.gz	OJFYFCVVDTVABG-LBPRGKRZSA-N	0	0	316.361	0.283	10	10		DCCERN
O=C(c1cccc(O)c1O)N1CCO[C@@H](Cn2cccn2)C1	ZINC000193063653	396443142	/nfs/dbraw/zinc/44/31/42/396443142.db2.gz	ZFHGWWZFZAMLBO-LLVKDONJSA-N	0	0	303.318	0.836	10	10		DCCERN
CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703286114	667076800	/nfs/dbraw/zinc/07/68/00/667076800.db2.gz	NADSTSYRNSAPMF-VHSXEESVSA-N	0	0	307.318	0.572	10	10		DCCERN
COc1ccc(/C=C2/SC(N(CCO)CCO)=NC2=O)cc1	ZINC000008473707	395684629	/nfs/dbraw/zinc/68/46/29/395684629.db2.gz	SZIABHIJACJSAK-JLHYYAGUSA-N	0	0	322.386	0.952	10	10		DCCERN
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(N)=O)O1	ZINC000092006599	415540554	/nfs/dbraw/zinc/54/05/54/415540554.db2.gz	BZCHSSXFFLOJSC-CJNGLKHVSA-N	0	0	319.405	0.598	10	10		DCCERN
COc1ccc(O)c(CNC(=O)NCCCn2ccnn2)c1	ZINC000181765066	665663535	/nfs/dbraw/zinc/66/35/35/665663535.db2.gz	CSJZVJXQAFSAPL-UHFFFAOYSA-N	0	0	305.338	0.882	10	10		DCCERN
C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000058976928	664514995	/nfs/dbraw/zinc/51/49/95/664514995.db2.gz	UIDCELWALKRBDM-LLVKDONJSA-N	0	0	322.434	0.913	10	10		DCCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC(CO)C1	ZINC000191304043	670001926	/nfs/dbraw/zinc/00/19/26/670001926.db2.gz	JTVOKHIVQJDHOS-UHFFFAOYSA-N	0	0	323.368	0.796	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3C)CC2)cc1	ZINC000062634816	664622105	/nfs/dbraw/zinc/62/21/05/664622105.db2.gz	IEYNHNWTDFCGSI-AWEZNQCLSA-N	0	0	319.361	0.794	10	10		DCCERN
CN(C)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1	ZINC000104766174	194036467	/nfs/dbraw/zinc/03/64/67/194036467.db2.gz	DHPWDOYYQNZWAQ-HNNXBMFYSA-N	0	0	306.410	0.882	10	10		DCCERN
CC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	ZINC000189960118	519648166	/nfs/dbraw/zinc/64/81/66/519648166.db2.gz	IRVDDWWFNKQQNB-UHFFFAOYSA-N	0	0	308.357	0.922	10	10		DCCERN
Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(O)c1O	ZINC000182511183	526111622	/nfs/dbraw/zinc/11/16/22/526111622.db2.gz	KVIQKTRMXSYTPK-NWDGAFQWSA-N	0	0	308.378	0.933	10	10		DCCERN
Cn1cc(C(N)=O)cc1C(=O)NCCc1ccc(O)c(O)c1	ZINC000122204290	667583449	/nfs/dbraw/zinc/58/34/49/667583449.db2.gz	VQKOJKYLKLXODV-UHFFFAOYSA-N	0	0	303.318	0.508	10	10		DCCERN
CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C(N)=O)c1O	ZINC000092230056	193177550	/nfs/dbraw/zinc/17/75/50/193177550.db2.gz	DBKNFRPFYFJFKM-GFCCVEGCSA-N	0	0	312.753	0.934	10	10		DCCERN
O=C1N[C@@H](c2cc(Br)ccc2O)N2CCOC[C@@H]12	ZINC000093884116	296387650	/nfs/dbraw/zinc/38/76/50/296387650.db2.gz	IKAYATRGEDLXEG-GXSJLCMTSA-N	0	0	313.151	0.984	10	10		DCCERN
CC[S@@](=O)CCNC(=O)NCc1cc(OC)ccc1O	ZINC000741087916	667758738	/nfs/dbraw/zinc/75/87/38/667758738.db2.gz	GYHWATGLSIHVQL-HXUWFJFHSA-N	0	0	300.380	0.969	10	10		DCCERN
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCOC[C@H]2C1	ZINC000363861778	416576559	/nfs/dbraw/zinc/57/65/59/416576559.db2.gz	IBRCACOSHVMUOW-CXLRFSCWSA-N	0	0	304.346	0.654	10	10		DCCERN
Cc1cc(Cl)cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1O	ZINC000180692219	524867203	/nfs/dbraw/zinc/86/72/03/524867203.db2.gz	VCUOGCHTUHISHG-LBPRGKRZSA-N	0	0	323.780	0.497	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)cc1	ZINC000328346091	659542616	/nfs/dbraw/zinc/54/26/16/659542616.db2.gz	MFYVXGWSWMVHNJ-CJNGLKHVSA-N	0	0	319.405	0.721	10	10		DCCERN
C[C@@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)C[C@@H](C)O1	ZINC000063129943	236857690	/nfs/dbraw/zinc/85/76/90/236857690.db2.gz	GVZQMNLUWJYBLC-VXGBXAGGSA-N	0	0	313.423	0.755	10	10		DCCERN
CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C(N)=O)c1O	ZINC000092230057	193177640	/nfs/dbraw/zinc/17/76/40/193177640.db2.gz	DBKNFRPFYFJFKM-LBPRGKRZSA-N	0	0	312.753	0.934	10	10		DCCERN
C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000194319706	670424544	/nfs/dbraw/zinc/42/45/44/670424544.db2.gz	APEYHNSMLJDTID-GFCCVEGCSA-N	0	0	320.393	0.538	10	10		DCCERN
O=C1N[C@H](c2cc(Br)ccc2O)N2CCOC[C@H]12	ZINC000093884115	296394458	/nfs/dbraw/zinc/39/44/58/296394458.db2.gz	IKAYATRGEDLXEG-KOLCDFICSA-N	0	0	313.151	0.984	10	10		DCCERN
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N1CCOCC1	ZINC000187146614	396364336	/nfs/dbraw/zinc/36/43/36/396364336.db2.gz	CTXHIFMQXKNYRE-AAEUAGOBSA-N	0	0	306.362	0.891	10	10		DCCERN
CC(=O)c1cc(F)cc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)c1O	ZINC000373975514	527211183	/nfs/dbraw/zinc/21/11/83/527211183.db2.gz	HQHNFDALNSPTIN-ZIAGYGMSSA-N	0	0	322.336	0.823	10	10		DCCERN
C[C@H](C1CC1)n1nccc1NC=C1C(=O)NC(=S)NC1=O	ZINC000072680460	666393794	/nfs/dbraw/zinc/39/37/94/666393794.db2.gz	HGRPKXUUGPSDRN-SSDOTTSWSA-N	0	0	305.363	0.681	10	10		DCCERN
COCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C)C(N)=O	ZINC000093138094	685110422	/nfs/dbraw/zinc/11/04/22/685110422.db2.gz	IJHFYFNLZSSRMP-AWEZNQCLSA-N	0	0	321.421	0.845	10	10		DCCERN
O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(O)c1O	ZINC000370506281	534808809	/nfs/dbraw/zinc/80/88/09/534808809.db2.gz	BCNRFGYLYUDTNS-LBPRGKRZSA-N	0	0	320.345	0.608	10	10		DCCERN
O=S(=O)(NCc1ccccc1O)C1CCS(=O)(=O)CC1	ZINC000158574300	1180564746	/nfs/dbraw/zinc/56/47/46/1180564746.db2.gz	RQUYOEKERVDWTB-UHFFFAOYSA-N	0	0	319.404	0.389	10	10		DCCERN
COc1ccc(N2CCN(c3cncc(C(N)=O)n3)CC2)cc1	ZINC000301599982	416089177	/nfs/dbraw/zinc/08/91/77/416089177.db2.gz	UUMFDLVNJIWRDO-UHFFFAOYSA-N	0	0	313.361	0.911	10	10		DCCERN
CN(C)c1ccc(CNC(=O)CN2CCCN(C)C(=O)C2)cc1	ZINC000191133950	416285408	/nfs/dbraw/zinc/28/54/08/416285408.db2.gz	WCICHKZDKICQLE-UHFFFAOYSA-N	0	0	318.421	0.533	10	10		DCCERN
CC[C@@H](CO)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	ZINC000182846294	522555722	/nfs/dbraw/zinc/55/57/22/522555722.db2.gz	OBGHOOGXIPTNMC-LBPRGKRZSA-N	0	0	308.378	0.935	10	10		DCCERN
COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)cc1	ZINC000187566974	533540808	/nfs/dbraw/zinc/54/08/08/533540808.db2.gz	AJGBCFHDYXDNJE-HZPDHXFCSA-N	0	0	320.389	0.631	10	10		DCCERN
CC(=O)C(=O)CSc1nnc(-c2cccc(N(C)C)c2)n1N	ZINC000289615597	131401306	/nfs/dbraw/zinc/40/13/06/131401306.db2.gz	LCHZYUGFHNQIFT-UHFFFAOYSA-N	0	0	319.390	0.975	10	10		DCCERN
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1CCO	ZINC000187259745	669713950	/nfs/dbraw/zinc/71/39/50/669713950.db2.gz	OTQHDAFOMPHSSI-PYEVWLCESA-N	0	0	306.362	0.636	10	10		DCCERN
CCOC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	ZINC000243606463	1182697030	/nfs/dbraw/zinc/69/70/30/1182697030.db2.gz	OVRHTUHOFVCIOP-UHFFFAOYSA-N	0	0	308.334	0.941	10	10		DCCERN
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1CCO	ZINC000588531481	747408941	/nfs/dbraw/zinc/40/89/41/747408941.db2.gz	OTQHDAFOMPHSSI-KTLBGCOUSA-N	0	0	306.362	0.636	10	10		DCCERN
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCOC[C@@H]2C1	ZINC000363861780	416577827	/nfs/dbraw/zinc/57/78/27/416577827.db2.gz	IBRCACOSHVMUOW-OHVSUOQFSA-N	0	0	304.346	0.654	10	10		DCCERN
CNC(=O)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000185125586	666340190	/nfs/dbraw/zinc/34/01/90/666340190.db2.gz	IQWBVFWVQZAVKC-UHFFFAOYSA-N	0	0	305.378	0.618	10	10		DCCERN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CNC(=O)C1	ZINC000194861538	670459996	/nfs/dbraw/zinc/45/99/96/670459996.db2.gz	CLBCSINDOZCEPK-CQSZACIVSA-N	0	0	317.389	0.618	10	10		DCCERN
COc1ccc(N2CCN(C(=O)CNC(N)=O)CC2)cc1F	ZINC000084937320	685088029	/nfs/dbraw/zinc/08/80/29/685088029.db2.gz	NYIYTEOMXRYRMT-UHFFFAOYSA-N	0	0	310.329	0.151	10	10		DCCERN
CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cccc(O)c1O	ZINC000126467792	1177239908	/nfs/dbraw/zinc/23/99/08/1177239908.db2.gz	GPQVTDRUYCKKGT-SNVBAGLBSA-N	0	0	317.388	0.658	10	10		DCCERN
C[N@H+](Cc1cccc(F)c1[O-])[C@H]1CCN(S(C)(=O)=O)C1	ZINC000292718596	415848459	/nfs/dbraw/zinc/84/84/59/415848459.db2.gz	DYDIATYPBBXYFH-NSHDSACASA-N	0	0	302.371	0.997	10	10		DCCERN
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)cc1	ZINC000188615440	533548662	/nfs/dbraw/zinc/54/86/62/533548662.db2.gz	AJGBCFHDYXDNJE-JKSUJKDBSA-N	0	0	320.389	0.631	10	10		DCCERN
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1CCO	ZINC000187259728	659299064	/nfs/dbraw/zinc/29/90/64/659299064.db2.gz	OTQHDAFOMPHSSI-OGOUPESXSA-N	0	0	306.362	0.636	10	10		DCCERN
NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCOCC2)cc1	ZINC000585655473	747521082	/nfs/dbraw/zinc/52/10/82/747521082.db2.gz	MQJQVYFTJGHJNK-HIFRSBDPSA-N	0	0	307.369	0.921	10	10		DCCERN
COc1ccc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1	ZINC000006027276	181307061	/nfs/dbraw/zinc/30/70/61/181307061.db2.gz	PASTUVBEEKISLU-UHFFFAOYSA-N	0	0	316.361	0.610	10	10		DCCERN
COCC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000188231647	522758193	/nfs/dbraw/zinc/75/81/93/522758193.db2.gz	BYSDRGAHUCQHKT-UHFFFAOYSA-N	0	0	320.393	0.409	10	10		DCCERN
CCN(CC)c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1	ZINC000179547561	528301523	/nfs/dbraw/zinc/30/15/23/528301523.db2.gz	PKQKTRRGEIASFW-ZDUSSCGKSA-N	0	0	318.377	0.747	10	10		DCCERN
CNC(=O)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	ZINC000187823605	659317055	/nfs/dbraw/zinc/31/70/55/659317055.db2.gz	NGWGYRRZZCYFLG-UHFFFAOYSA-N	0	0	309.341	0.619	10	10		DCCERN
CN(C)c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1F	ZINC000155163804	396047862	/nfs/dbraw/zinc/04/78/62/396047862.db2.gz	MMRFGXBGQFPOCQ-JTQLQIEISA-N	0	0	308.313	0.106	10	10		DCCERN
COc1ccc(N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)cc1	ZINC000102382059	671821212	/nfs/dbraw/zinc/82/12/12/671821212.db2.gz	NEISJQWQNGLIDQ-LLVKDONJSA-N	0	0	320.393	0.837	10	10		DCCERN
CN(C)c1ccc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)cc1	ZINC000118758941	667019213	/nfs/dbraw/zinc/01/92/13/667019213.db2.gz	JXQWWURQFOENDX-UHFFFAOYSA-N	0	0	318.377	0.699	10	10		DCCERN
COCC(COC)S(=O)(=O)N(C)Cc1ccccc1O	ZINC000711187247	667452294	/nfs/dbraw/zinc/45/22/94/667452294.db2.gz	AMUIJDYNWBPZNT-UHFFFAOYSA-N	0	0	303.380	0.815	10	10		DCCERN
Cc1nc(C(=O)NCCc2ccc(O)c(O)c2)c(=O)[nH]c1C	ZINC000159819807	669942449	/nfs/dbraw/zinc/94/24/49/669942449.db2.gz	IFXFFNGHIDQAOP-UHFFFAOYSA-N	0	0	303.318	0.770	10	10		DCCERN
NC(=O)c1ccc(NC(=O)C[C@H]2SC(=S)NC2=O)cc1	ZINC000034926888	182744597	/nfs/dbraw/zinc/74/45/97/182744597.db2.gz	PRPBEFOTEQWZGV-MRVPVSSYSA-N	0	0	309.372	0.631	10	10		DCCERN
O=C1N[C@H](c2cc(Br)ccc2O)N2CCOC[C@@H]12	ZINC000093884117	395739562	/nfs/dbraw/zinc/73/95/62/395739562.db2.gz	IKAYATRGEDLXEG-ONGXEEELSA-N	0	0	313.151	0.984	10	10		DCCERN
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N1CCOCC1	ZINC000187146650	396364626	/nfs/dbraw/zinc/36/46/26/396364626.db2.gz	CTXHIFMQXKNYRE-WCQYABFASA-N	0	0	306.362	0.891	10	10		DCCERN
O=C(NCCc1nnc2n1CCCC2)c1cccc(O)c1O	ZINC000190653004	416281656	/nfs/dbraw/zinc/28/16/56/416281656.db2.gz	GYFOMZQGHJVOSK-UHFFFAOYSA-N	0	0	302.334	0.998	10	10		DCCERN
COc1ccc(N2CCN(CC(=O)NC(N)=O)CC2)cc1F	ZINC000122036938	667537429	/nfs/dbraw/zinc/53/74/29/667537429.db2.gz	QBAWAXIINBVCTO-UHFFFAOYSA-N	0	0	310.329	0.151	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1	ZINC000194765442	670456312	/nfs/dbraw/zinc/45/63/12/670456312.db2.gz	KIMQOSYHSHHXCB-GFCCVEGCSA-N	0	0	303.362	0.480	10	10		DCCERN
CCNC(=O)CN(CC(=O)NCC)c1ccc2c(c1)CCO2	ZINC000031466149	663582934	/nfs/dbraw/zinc/58/29/34/663582934.db2.gz	IDLZFOYOAKPENL-UHFFFAOYSA-N	0	0	305.378	0.700	10	10		DCCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CNC(=O)C1	ZINC000194813049	670457523	/nfs/dbraw/zinc/45/75/23/670457523.db2.gz	ALMHXHSSGBKQHW-LBPRGKRZSA-N	0	0	321.352	0.415	10	10		DCCERN
Cn1c(N)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000584639514	337379846	/nfs/dbraw/zinc/37/98/46/337379846.db2.gz	VSWLRSADJTYMRD-CCEZHUSRSA-N	0	0	304.266	0.990	10	10		DCCERN
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(NC(=O)C2CC2)C1	ZINC000189382749	527612562	/nfs/dbraw/zinc/61/25/62/527612562.db2.gz	NJJPWCXCQRYSHE-QHHAFSJGSA-N	0	0	302.330	0.848	10	10		DCCERN
C[C@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)C[C@H](C)O1	ZINC000063129941	664626033	/nfs/dbraw/zinc/62/60/33/664626033.db2.gz	GVZQMNLUWJYBLC-RYUDHWBXSA-N	0	0	313.423	0.755	10	10		DCCERN
CNC(=O)CC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000131693238	669677610	/nfs/dbraw/zinc/67/76/10/669677610.db2.gz	LFPYSKNIPIOSII-UHFFFAOYSA-N	0	0	307.419	0.992	10	10		DCCERN
CN(C)c1ccc2c(c1)OCCN2C[C@H](O)CN1CCOCC1	ZINC000119430001	667135323	/nfs/dbraw/zinc/13/53/23/667135323.db2.gz	PYEHPQQEHZXQSC-OAHLLOKOSA-N	0	0	321.421	0.645	10	10		DCCERN
CCN1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC1=O	ZINC000191561630	670061808	/nfs/dbraw/zinc/06/18/08/670061808.db2.gz	SOIMHZRSUGXPRL-UHFFFAOYSA-N	0	0	304.394	0.490	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1	ZINC000194765453	670456286	/nfs/dbraw/zinc/45/62/86/670456286.db2.gz	KIMQOSYHSHHXCB-LBPRGKRZSA-N	0	0	303.362	0.480	10	10		DCCERN
Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(O)c1O	ZINC000182514779	237272514	/nfs/dbraw/zinc/27/25/14/237272514.db2.gz	MRSKTLMGWWOILO-GFCCVEGCSA-N	0	0	306.362	0.953	10	10		DCCERN
CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)CN1CCCC1=O	ZINC000119429841	667135394	/nfs/dbraw/zinc/13/53/94/667135394.db2.gz	FXICRVJAGOGIIK-CQSZACIVSA-N	0	0	319.405	0.935	10	10		DCCERN
CN(Cc1ccccc1O)C(=O)C[C@@H]1CS(=O)(=O)CCN1	ZINC000126606439	668633803	/nfs/dbraw/zinc/63/38/03/668633803.db2.gz	GLKWJJNYCJHVRG-GFCCVEGCSA-N	0	0	312.391	0.127	10	10		DCCERN
COc1ccc(N2CCN(S(=O)(=O)CCCO)CC2)cc1	ZINC000019780378	182147589	/nfs/dbraw/zinc/14/75/89/182147589.db2.gz	PFJCARZOASPFMO-UHFFFAOYSA-N	0	0	314.407	0.529	10	10		DCCERN
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N1CCOCC1	ZINC000187146634	396364441	/nfs/dbraw/zinc/36/44/41/396364441.db2.gz	CTXHIFMQXKNYRE-DGCLKSJQSA-N	0	0	306.362	0.891	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1F	ZINC000177279532	396170960	/nfs/dbraw/zinc/17/09/60/396170960.db2.gz	DCLPNJXFACVLJD-LLVKDONJSA-N	0	0	321.352	0.619	10	10		DCCERN
CNC(=O)Cn1cc(NC(=O)N(C)Cc2ccccc2O)cn1	ZINC000179459713	524076387	/nfs/dbraw/zinc/07/63/87/524076387.db2.gz	QJUAUEXIEGWHEF-UHFFFAOYSA-N	0	0	317.349	0.999	10	10		DCCERN
CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1	ZINC000703378547	667085878	/nfs/dbraw/zinc/08/58/78/667085878.db2.gz	ABGDPQJSRMZZJY-SECBINFHSA-N	0	0	306.334	0.794	10	10		DCCERN
COc1ccc(N2CCC(NC(=O)CNC(N)=O)CC2)cc1	ZINC000102484488	671827008	/nfs/dbraw/zinc/82/70/08/671827008.db2.gz	REHOXMMHBYAFBS-UHFFFAOYSA-N	0	0	306.366	0.449	10	10		DCCERN
CN1CCCc2cc(CNC(=O)CN3CC(=O)NC3=O)ccc21	ZINC000111586847	395809712	/nfs/dbraw/zinc/80/97/12/395809712.db2.gz	LPUAKJRQCOLMSC-UHFFFAOYSA-N	0	0	316.361	0.237	10	10		DCCERN
COC(=O)CN1C(=O)N/C(=C\c2ccc(N(C)C)cc2)C1=O	ZINC000096544825	658620839	/nfs/dbraw/zinc/62/08/39/658620839.db2.gz	QOVNDRAZQQUHRB-WQLSENKSSA-N	0	0	303.318	0.818	10	10		DCCERN
CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703286110	667076559	/nfs/dbraw/zinc/07/65/59/667076559.db2.gz	NADSTSYRNSAPMF-UWVGGRQHSA-N	0	0	307.318	0.572	10	10		DCCERN
COC(=O)/C=C\c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000205821633	774875373	/nfs/dbraw/zinc/87/53/73/774875373.db2.gz	JUNPAPKVIZRNAO-HYXAFXHYSA-N	0	0	305.290	0.717	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)cc1	ZINC000062634814	395973699	/nfs/dbraw/zinc/97/36/99/395973699.db2.gz	IYSBEWKBCSNSCL-CYBMUJFWSA-N	0	0	305.334	0.452	10	10		DCCERN
COc1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1O	ZINC000175124229	396139405	/nfs/dbraw/zinc/13/94/05/396139405.db2.gz	DZHSRAANRRAJEK-NSHDSACASA-N	0	0	317.349	0.807	10	10		DCCERN
CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(O)c1O)CC2	ZINC000193071429	416313220	/nfs/dbraw/zinc/31/32/20/416313220.db2.gz	VBKNXVRTGKNVFU-VIFPVBQESA-N	0	0	302.334	0.997	10	10		DCCERN
C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1CCO	ZINC000588531480	747408977	/nfs/dbraw/zinc/40/89/77/747408977.db2.gz	OTQHDAFOMPHSSI-FHMRSRPSSA-N	0	0	306.362	0.636	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc1	ZINC000062634812	395973696	/nfs/dbraw/zinc/97/36/96/395973696.db2.gz	IYSBEWKBCSNSCL-ZDUSSCGKSA-N	0	0	305.334	0.452	10	10		DCCERN
CN(Cc1ccccc1O)C(=O)C[C@H]1CS(=O)(=O)CCN1	ZINC000126606693	668633354	/nfs/dbraw/zinc/63/33/54/668633354.db2.gz	GLKWJJNYCJHVRG-LBPRGKRZSA-N	0	0	312.391	0.127	10	10		DCCERN
COc1ccc(N(C)C[C@H](O)CN2CCOCC2)c(OC)c1	ZINC000131731036	669679586	/nfs/dbraw/zinc/67/95/86/669679586.db2.gz	MFEWHGTXGSEZRC-ZDUSSCGKSA-N	0	0	310.394	0.833	10	10		DCCERN
CC[C@H](CO)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	ZINC000182846314	522204148	/nfs/dbraw/zinc/20/41/48/522204148.db2.gz	OBGHOOGXIPTNMC-GFCCVEGCSA-N	0	0	308.378	0.935	10	10		DCCERN
NC(=O)NCC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000058976904	664514890	/nfs/dbraw/zinc/51/48/90/664514890.db2.gz	ZSSCQPANRAJRHX-UHFFFAOYSA-N	0	0	308.407	0.524	10	10		DCCERN
O=S1(=O)CCCN1CC[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703254587	667077115	/nfs/dbraw/zinc/07/71/15/667077115.db2.gz	BJINKTCXXHKRSE-UHFFFAOYSA-N	0	0	306.334	0.796	10	10		DCCERN
CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cccc(O)c1O	ZINC000713902843	670169123	/nfs/dbraw/zinc/16/91/23/670169123.db2.gz	RVEZSTILOHRCKF-UHFFFAOYSA-N	0	0	301.364	0.993	10	10		DCCERN
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C(N)=O)O1	ZINC000092006595	415539605	/nfs/dbraw/zinc/53/96/05/415539605.db2.gz	BZCHSSXFFLOJSC-CZUORRHYSA-N	0	0	319.405	0.598	10	10		DCCERN
CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1	ZINC000243790849	1182708703	/nfs/dbraw/zinc/70/87/03/1182708703.db2.gz	QKQNTZAUKROYOK-NSHDSACASA-N	0	0	313.375	0.676	10	10		DCCERN
Cc1cc(Cl)cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1O	ZINC000180692200	524864561	/nfs/dbraw/zinc/86/45/61/524864561.db2.gz	VCUOGCHTUHISHG-GFCCVEGCSA-N	0	0	323.780	0.497	10	10		DCCERN
CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1ccc(N)cc1	ZINC000236647614	659481561	/nfs/dbraw/zinc/48/15/61/659481561.db2.gz	WIFIMNXZLQSTLR-UHFFFAOYSA-N	0	0	304.350	0.258	10	10		DCCERN
COc1cccc(CNC(=O)c2cc(C(N)=O)cn2C)c1O	ZINC000130927100	669647209	/nfs/dbraw/zinc/64/72/09/669647209.db2.gz	MGNUZAVGPLNBSE-UHFFFAOYSA-N	0	0	303.318	0.768	10	10		DCCERN
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CNC(=O)C1	ZINC000194873683	670460794	/nfs/dbraw/zinc/46/07/94/670460794.db2.gz	PDTSOQRVVRMJDU-CYBMUJFWSA-N	0	0	319.430	0.992	10	10		DCCERN
Cc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(O)c1O	ZINC000179500563	237248632	/nfs/dbraw/zinc/24/86/32/237248632.db2.gz	PEWHJXBGLRAAHS-LBPRGKRZSA-N	0	0	306.362	0.999	10	10		DCCERN
NS(=O)(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1	ZINC000043024355	183331445	/nfs/dbraw/zinc/33/14/45/183331445.db2.gz	RTYPZPSJCZBLLQ-UHFFFAOYSA-N	0	0	324.314	0.703	10	10		DCCERN
CCN(CC)c1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1	ZINC000171864492	396126694	/nfs/dbraw/zinc/12/66/94/396126694.db2.gz	GUJCSVBJSAGUTE-UHFFFAOYSA-N	0	0	318.377	0.701	10	10		DCCERN
COc1ccc(N2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1	ZINC000194817467	337463910	/nfs/dbraw/zinc/46/39/10/337463910.db2.gz	ZRAZKIHFDVOREI-ZDUSSCGKSA-N	0	0	317.389	0.870	10	10		DCCERN
COc1c([O-])c(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000375717083	533442020	/nfs/dbraw/zinc/44/20/20/533442020.db2.gz	FFIXNUICTNDISN-LBPRGKRZSA-N	0	0	323.349	0.825	10	10		DCCERN
CNC(=O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000185948472	666626722	/nfs/dbraw/zinc/62/67/22/666626722.db2.gz	ISGYMQAQPIIAPQ-UHFFFAOYSA-N	0	0	309.341	0.415	10	10		DCCERN
Cc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c(O)c1O	ZINC000179500557	237247789	/nfs/dbraw/zinc/24/77/89/237247789.db2.gz	PEWHJXBGLRAAHS-GFCCVEGCSA-N	0	0	306.362	0.999	10	10		DCCERN
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1NC(=O)NC1=O	ZINC000155060677	396046108	/nfs/dbraw/zinc/04/61/08/396046108.db2.gz	MWCSTLJOEBIRIT-ZDUSSCGKSA-N	0	0	318.377	0.699	10	10		DCCERN
COC(=O)/C=C/c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000029068538	277306628	/nfs/dbraw/zinc/30/66/28/277306628.db2.gz	JUNPAPKVIZRNAO-HWKANZROSA-N	0	0	305.290	0.717	10	10		DCCERN
CN(C)C(=O)CN(CC(=O)N(C)C)c1ccc2c(c1)CCO2	ZINC000031466254	663583443	/nfs/dbraw/zinc/58/34/43/663583443.db2.gz	RSVKJFINXOFDIX-UHFFFAOYSA-N	0	0	305.378	0.604	10	10		DCCERN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CNC(=O)C1	ZINC000194861551	670459947	/nfs/dbraw/zinc/45/99/47/670459947.db2.gz	CLBCSINDOZCEPK-AWEZNQCLSA-N	0	0	317.389	0.618	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@H]3COC(=O)N3C)CC2)cc1	ZINC000062634818	664622177	/nfs/dbraw/zinc/62/21/77/664622177.db2.gz	IEYNHNWTDFCGSI-CQSZACIVSA-N	0	0	319.361	0.794	10	10		DCCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CNC(=O)C1	ZINC000194813034	670457544	/nfs/dbraw/zinc/45/75/44/670457544.db2.gz	ALMHXHSSGBKQHW-GFCCVEGCSA-N	0	0	321.352	0.415	10	10		DCCERN
COc1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1O	ZINC000175124208	396139332	/nfs/dbraw/zinc/13/93/32/396139332.db2.gz	DZHSRAANRRAJEK-LLVKDONJSA-N	0	0	317.349	0.807	10	10		DCCERN
CC[S@](=O)CCNC(=O)NCc1cc(OC)ccc1O	ZINC000741087915	667758502	/nfs/dbraw/zinc/75/85/02/667758502.db2.gz	GYHWATGLSIHVQL-FQEVSTJZSA-N	0	0	300.380	0.969	10	10		DCCERN
COc1c([O-])c(C[N@@H+]2CCN3CCOC[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000375717077	533442624	/nfs/dbraw/zinc/44/26/24/533442624.db2.gz	FFIXNUICTNDISN-GFCCVEGCSA-N	0	0	323.349	0.825	10	10		DCCERN
O=C(NCCCN1CCCS1(=O)=O)C1=CC(=O)CS1	ZINC000732281935	685322954	/nfs/dbraw/zinc/32/29/54/685322954.db2.gz	GQUWCSDGSPWHQI-UHFFFAOYSA-N	0	0	304.393	0.609	10	10		DCCERN
COc1ccc2c(c1)CCN2Cc1cn(C)c(=O)n(C)c1=O	ZINC000179206381	396224258	/nfs/dbraw/zinc/22/42/58/396224258.db2.gz	MTUOWGWHSMBRMN-UHFFFAOYSA-N	0	0	301.346	0.655	10	10		DCCERN
O=C1N[C@@H](c2cc(Br)ccc2O)N2CCOC[C@H]12	ZINC000093884114	304680683	/nfs/dbraw/zinc/68/06/83/304680683.db2.gz	IKAYATRGEDLXEG-MWLCHTKSSA-N	0	0	313.151	0.984	10	10		DCCERN
O=C1NC(=S)NC(=O)C1=CNC1C2CC3CC(C2)CC1C3	ZINC000121042142	657555240	/nfs/dbraw/zinc/55/52/40/657555240.db2.gz	ZAKBQTPQURDVOD-UHFFFAOYSA-N	0	0	305.403	0.816	10	10		DCCERN
C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000123677400	659422652	/nfs/dbraw/zinc/42/26/52/659422652.db2.gz	SNXOEWJQNFUHRA-SNVBAGLBSA-N	0	0	324.356	0.335	10	10		DCCERN
COc1ccc(N(C)C[C@@H](O)CN2CCOCC2)c(OC)c1	ZINC000131731263	669679732	/nfs/dbraw/zinc/67/97/32/669679732.db2.gz	MFEWHGTXGSEZRC-CYBMUJFWSA-N	0	0	310.394	0.833	10	10		DCCERN
C[C@@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	ZINC000588538538	747417476	/nfs/dbraw/zinc/41/74/76/747417476.db2.gz	PIELAQNBHHQTHG-KTLBGCOUSA-N	0	0	306.362	0.636	10	10		DCCERN
CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cccc(O)c1O	ZINC000126468022	1177240508	/nfs/dbraw/zinc/24/05/08/1177240508.db2.gz	GPQVTDRUYCKKGT-JTQLQIEISA-N	0	0	317.388	0.658	10	10		DCCERN
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N1CCOCC1	ZINC000187146596	396364434	/nfs/dbraw/zinc/36/44/34/396364434.db2.gz	CTXHIFMQXKNYRE-YPMHNXCESA-N	0	0	306.362	0.891	10	10		DCCERN
CN(C)c1ccc(CNC(=O)CN2CCNC(=O)CC2)cc1	ZINC000054258715	415321687	/nfs/dbraw/zinc/32/16/87/415321687.db2.gz	FHMAIXDZHVAZDE-UHFFFAOYSA-N	0	0	304.394	0.191	10	10		DCCERN
Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(O)c1O	ZINC000182511071	526113083	/nfs/dbraw/zinc/11/30/83/526113083.db2.gz	KVIQKTRMXSYTPK-VXGBXAGGSA-N	0	0	308.378	0.933	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)cc1	ZINC000070719006	665908593	/nfs/dbraw/zinc/90/85/93/665908593.db2.gz	MUBONWIPAQZNJN-LLVKDONJSA-N	0	0	306.366	0.401	10	10		DCCERN
CCN1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1=O	ZINC000191525491	670051891	/nfs/dbraw/zinc/05/18/91/670051891.db2.gz	BZFBWLVRBFHDQU-UHFFFAOYSA-N	0	0	318.421	0.833	10	10		DCCERN
CN(C)c1ccc(CNC(=O)N2CCNC(=O)CC2)cc1F	ZINC000105206054	194084678	/nfs/dbraw/zinc/08/46/78/194084678.db2.gz	DZNACAJXDZOMCJ-UHFFFAOYSA-N	0	0	308.357	0.923	10	10		DCCERN
CS(=O)(=O)N1CCCN(Cc2cccc(F)c2O)CC1	ZINC000272257983	130013520	/nfs/dbraw/zinc/01/35/20/130013520.db2.gz	JOZZHZLRKJOHMG-UHFFFAOYSA-N	0	0	302.371	0.999	10	10		DCCERN
O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ncccn2)CC1	ZINC000243339180	770214953	/nfs/dbraw/zinc/21/49/53/770214953.db2.gz	LRVXZSYJIRXHFF-UHFFFAOYSA-N	0	0	314.345	0.779	10	10		DCCERN
CN(C)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1	ZINC000104766171	194036181	/nfs/dbraw/zinc/03/61/81/194036181.db2.gz	DHPWDOYYQNZWAQ-OAHLLOKOSA-N	0	0	306.410	0.882	10	10		DCCERN
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCOCC1	ZINC000180642078	524367466	/nfs/dbraw/zinc/36/74/66/524367466.db2.gz	JLIXUAGYMDAHJI-OGOUPESXSA-N	0	0	306.362	0.948	10	10		DCCERN
COCCN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)C(N)=O	ZINC000093138100	685110573	/nfs/dbraw/zinc/11/05/73/685110573.db2.gz	IJHFYFNLZSSRMP-CQSZACIVSA-N	0	0	321.421	0.845	10	10		DCCERN
O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(N2CCCC2)cc1	ZINC000057149605	184028563	/nfs/dbraw/zinc/02/85/63/184028563.db2.gz	ZVOOAYPSXIQFTN-ZDUSSCGKSA-N	0	0	316.361	0.501	10	10		DCCERN
CCS(=O)(=O)N(C)CC(=O)N(C)Cc1ccccc1O	ZINC000175239674	1184065210	/nfs/dbraw/zinc/06/52/10/1184065210.db2.gz	DDVMIKBHYYJBEI-UHFFFAOYSA-N	0	0	300.380	0.632	10	10		DCCERN
O=C(c1cccc(O)c1O)N1CCO[C@H](Cn2cccn2)C1	ZINC000193063635	396442592	/nfs/dbraw/zinc/44/25/92/396442592.db2.gz	ZFHGWWZFZAMLBO-NSHDSACASA-N	0	0	303.318	0.836	10	10		DCCERN
C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000292718592	415849851	/nfs/dbraw/zinc/84/98/51/415849851.db2.gz	DYDIATYPBBXYFH-LLVKDONJSA-N	0	0	302.371	0.997	10	10		DCCERN
CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(O)c1O)CC2	ZINC000193071419	416312989	/nfs/dbraw/zinc/31/29/89/416312989.db2.gz	VBKNXVRTGKNVFU-SECBINFHSA-N	0	0	302.334	0.997	10	10		DCCERN
C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCOCC1	ZINC000180642059	524637032	/nfs/dbraw/zinc/63/70/32/524637032.db2.gz	JLIXUAGYMDAHJI-PYEVWLCESA-N	0	0	306.362	0.948	10	10		DCCERN
C[C@@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)C[C@H](C)O1	ZINC000063129939	664625893	/nfs/dbraw/zinc/62/58/93/664625893.db2.gz	GVZQMNLUWJYBLC-TXEJJXNPSA-N	0	0	313.423	0.755	10	10		DCCERN
Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(O)c1O	ZINC000182514757	237273677	/nfs/dbraw/zinc/27/36/77/237273677.db2.gz	MRSKTLMGWWOILO-LBPRGKRZSA-N	0	0	306.362	0.953	10	10		DCCERN
O=C(NCCc1ccc(O)c(O)c1)C(=S)N1CCOCC1	ZINC000256030210	396033680	/nfs/dbraw/zinc/03/36/80/396033680.db2.gz	KVGICRQYZWOUMB-UHFFFAOYSA-N	0	0	310.375	0.416	10	10		DCCERN
CNC(=O)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000132413554	415931923	/nfs/dbraw/zinc/93/19/23/415931923.db2.gz	VGJJQUFIEHCCAH-UHFFFAOYSA-N	0	0	305.378	0.870	10	10		DCCERN
COc1ccc(O)c(CNC(=O)N[C@H]2CCc3ncnn3C2)c1	ZINC000114602390	534200028	/nfs/dbraw/zinc/20/00/28/534200028.db2.gz	WXWNLRZBDWREKK-NSHDSACASA-N	0	0	317.349	0.807	10	10		DCCERN
COc1ccc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1F	ZINC000177279545	396171014	/nfs/dbraw/zinc/17/10/14/396171014.db2.gz	DCLPNJXFACVLJD-NSHDSACASA-N	0	0	321.352	0.619	10	10		DCCERN
Cc1nc2cc(NC=C3C(=O)NC(=S)NC3=O)ccc2o1	ZINC000060865620	664576917	/nfs/dbraw/zinc/57/69/17/664576917.db2.gz	DVLMQELLXNSFDH-UHFFFAOYSA-N	0	0	302.315	0.963	10	10		DCCERN
O=C1N=C(N(CCO)CCO)S/C1=C/c1cccc(O)c1	ZINC000033900569	395717583	/nfs/dbraw/zinc/71/75/83/395717583.db2.gz	PGTROACBPVZRSR-FMIVXFBMSA-N	0	0	308.359	0.649	10	10		DCCERN
COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1	ZINC000114602389	415719281	/nfs/dbraw/zinc/71/92/81/415719281.db2.gz	WXWNLRZBDWREKK-LLVKDONJSA-N	0	0	317.349	0.807	10	10		DCCERN
CNC(=O)CC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000184874595	666297255	/nfs/dbraw/zinc/29/72/55/666297255.db2.gz	PYHGVMSHLUVRHK-UHFFFAOYSA-N	0	0	305.378	0.916	10	10		DCCERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000193007233	337308940	/nfs/dbraw/zinc/30/89/40/337308940.db2.gz	SLFBXIPBYMMEHM-IUODEOHRSA-N	0	0	323.368	0.490	10	10		DCCERN
COc1ccc(N2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1	ZINC000194817451	337463806	/nfs/dbraw/zinc/46/38/06/337463806.db2.gz	ZRAZKIHFDVOREI-CYBMUJFWSA-N	0	0	317.389	0.870	10	10		DCCERN
Cn1c2[nH]c(CSc3nccs3)nc2c(=O)n(C)c1=O	ZINC000095984531	658556652	/nfs/dbraw/zinc/55/66/52/658556652.db2.gz	SMVRXEXHTIHIFA-UHFFFAOYSA-N	0	0	309.376	0.709	10	10		DCCERN
CN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)C(=O)NC1=S	ZINC000056656486	664408282	/nfs/dbraw/zinc/40/82/82/664408282.db2.gz	FCMVNMIXBYCWKF-POHAHGRESA-N	0	0	319.342	0.648	10	10		DCCERN
CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1	ZINC000703378565	667085785	/nfs/dbraw/zinc/08/57/85/667085785.db2.gz	ABGDPQJSRMZZJY-VIFPVBQESA-N	0	0	306.334	0.794	10	10		DCCERN
CN(C)c1ccc2c(c1)OCCN2C[C@H](O)CN1CCCC1=O	ZINC000119429696	667135500	/nfs/dbraw/zinc/13/55/00/667135500.db2.gz	FXICRVJAGOGIIK-AWEZNQCLSA-N	0	0	319.405	0.935	10	10		DCCERN
CN(C)c1ccc(CN(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1	ZINC000120500008	667320837	/nfs/dbraw/zinc/32/08/37/667320837.db2.gz	VWKVHQJUXBOUCK-LBPRGKRZSA-N	0	0	304.350	0.309	10	10		DCCERN
O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CNC(=O)C1	ZINC000194873695	670460753	/nfs/dbraw/zinc/46/07/53/670460753.db2.gz	PDTSOQRVVRMJDU-ZDUSSCGKSA-N	0	0	319.430	0.992	10	10		DCCERN
O=C(CN1CC(=O)NC1=O)NCc1ccc(N2CCCC2)cc1	ZINC000171763776	664612677	/nfs/dbraw/zinc/61/26/77/664612677.db2.gz	DQWXCTUTAPYFCO-UHFFFAOYSA-N	0	0	316.361	0.455	10	10		DCCERN
CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703286106	667076462	/nfs/dbraw/zinc/07/64/62/667076462.db2.gz	NADSTSYRNSAPMF-NXEZZACHSA-N	0	0	307.318	0.572	10	10		DCCERN
CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)CN1CCOCC1	ZINC000119430147	667135276	/nfs/dbraw/zinc/13/52/76/667135276.db2.gz	PYEHPQQEHZXQSC-HNNXBMFYSA-N	0	0	321.421	0.645	10	10		DCCERN