smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(F)cc(CN2CCC(C(=O)c3ccccc3)CC2)c1[O-]	ZINC000177247421	940050759	/nfs/dbraw/zinc/05/07/59/940050759.db2.gz	FFSNVYQVOQIJPG-UHFFFAOYSA-N	-1	3	355.409	3.829	20	10		FHCDHM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc([O-])cc(C(F)(F)F)c1	ZINC000623019956	941166474	/nfs/dbraw/zinc/16/64/74/941166474.db2.gz	QHPKJQXJVLYBAY-UHFFFAOYSA-N	-1	3	366.339	3.516	20	10		FHCDHM
Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@H]2CCOC2)c1	ZINC000273616632	942997761	/nfs/dbraw/zinc/99/77/61/942997761.db2.gz	XMXYEZYJXDJWHD-PBHICJAKSA-N	-1	3	372.421	3.627	20	10		FHCDHM
CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000825435148	947188932	/nfs/dbraw/zinc/18/89/32/947188932.db2.gz	NKAWKNGKIHXUHD-GFCCVEGCSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000825435148	947188937	/nfs/dbraw/zinc/18/89/37/947188937.db2.gz	NKAWKNGKIHXUHD-GFCCVEGCSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000825435148	947188945	/nfs/dbraw/zinc/18/89/45/947188945.db2.gz	NKAWKNGKIHXUHD-GFCCVEGCSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000825435148	947188954	/nfs/dbraw/zinc/18/89/54/947188954.db2.gz	NKAWKNGKIHXUHD-GFCCVEGCSA-N	-1	3	357.845	3.809	20	10		FHCDHM
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1	ZINC000737332906	599303797	/nfs/dbraw/zinc/30/37/97/599303797.db2.gz	XRZWMEQIJKDSIC-UHFFFAOYSA-N	-1	3	372.432	3.551	20	10		FHCDHM
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1	ZINC000737332906	599303799	/nfs/dbraw/zinc/30/37/99/599303799.db2.gz	XRZWMEQIJKDSIC-UHFFFAOYSA-N	-1	3	372.432	3.551	20	10		FHCDHM
Clc1ccc(C2=CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cn1	ZINC000826351298	608296027	/nfs/dbraw/zinc/29/60/27/608296027.db2.gz	HOZCLNDXEPUMMV-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
Clc1ccc(C2=CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cn1	ZINC000826351298	608296028	/nfs/dbraw/zinc/29/60/28/608296028.db2.gz	HOZCLNDXEPUMMV-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
COC(=O)CN(CCCc1ccsc1)Cc1cc(Cl)ccc1[O-]	ZINC000782949141	941326981	/nfs/dbraw/zinc/32/69/81/941326981.db2.gz	BYWHIAHSUFEIBL-UHFFFAOYSA-N	-1	3	353.871	3.715	20	10		FHCDHM
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(F)cc1[O-]	ZINC000281709685	945811437	/nfs/dbraw/zinc/81/14/37/945811437.db2.gz	TYTDTUCXUAZMQZ-BFUOFWGJSA-N	-1	3	358.413	3.622	20	10		FHCDHM
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccccc2[O-])cc1	ZINC000728839850	947386705	/nfs/dbraw/zinc/38/67/05/947386705.db2.gz	TYDQPYNZPNAILF-UHFFFAOYSA-N	-1	3	352.356	3.663	20	10		FHCDHM
O=C(c1cccc(O)c1[O-])N1CCC(c2nc3cc(F)ccc3s2)CC1	ZINC000365314559	568493039	/nfs/dbraw/zinc/49/30/39/568493039.db2.gz	MTLTZRKBOLIVJQ-UHFFFAOYSA-N	-1	3	372.421	3.866	20	10		FHCDHM
Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737227439	598609051	/nfs/dbraw/zinc/60/90/51/598609051.db2.gz	MCSWGLOSGCNLAW-UHFFFAOYSA-N	-1	3	372.432	3.551	20	10		FHCDHM
Clc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCC3)cc2)c1	ZINC000737571270	599407164	/nfs/dbraw/zinc/40/71/64/599407164.db2.gz	ZCTWJALIYRDAKK-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
Clc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCCC3)cc2)c1	ZINC000737571270	599407166	/nfs/dbraw/zinc/40/71/66/599407166.db2.gz	ZCTWJALIYRDAKK-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
CC[N@H+](CCC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21	ZINC000737096827	600422817	/nfs/dbraw/zinc/42/28/17/600422817.db2.gz	PUBQTZPNWTVWGO-UHFFFAOYSA-N	-1	3	352.228	3.605	20	10		FHCDHM
CC[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21	ZINC000737096827	600422819	/nfs/dbraw/zinc/42/28/19/600422819.db2.gz	PUBQTZPNWTVWGO-UHFFFAOYSA-N	-1	3	352.228	3.605	20	10		FHCDHM
O=C([O-])Nc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1	ZINC000834268988	605607686	/nfs/dbraw/zinc/60/76/86/605607686.db2.gz	OHKVRZKRJIWLMR-GOSISDBHSA-N	-1	3	356.422	3.663	20	10		FHCDHM
O=C([O-])Nc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1	ZINC000834268988	605607688	/nfs/dbraw/zinc/60/76/88/605607688.db2.gz	OHKVRZKRJIWLMR-GOSISDBHSA-N	-1	3	356.422	3.663	20	10		FHCDHM
COc1cc(SC)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-]	ZINC000278745537	938779829	/nfs/dbraw/zinc/77/98/29/938779829.db2.gz	RQDPYICVNXDLBX-UHFFFAOYSA-N	-1	3	350.396	3.652	20	10		FHCDHM
[O-]c1c(Cl)cccc1CN[C@H](CO)c1ccccc1OC(F)(F)F	ZINC000280175531	942125840	/nfs/dbraw/zinc/12/58/40/942125840.db2.gz	GHIGSWDAWSXNQF-CYBMUJFWSA-N	-1	3	361.747	3.767	20	10		FHCDHM
C[C@H](NCc1cn2ccccc2n1)c1cc(Br)cc(F)c1[O-]	ZINC000756361762	942274603	/nfs/dbraw/zinc/27/46/03/942274603.db2.gz	HZNAJLKXOKWXQG-JTQLQIEISA-N	-1	3	364.218	3.792	20	10		FHCDHM
Cc1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)c([O-])c1O	ZINC000182127370	942676413	/nfs/dbraw/zinc/67/64/13/942676413.db2.gz	BZOZZHAYGBSJLO-UHFFFAOYSA-N	-1	3	353.374	3.968	20	10		FHCDHM
COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1	ZINC000273459290	942962250	/nfs/dbraw/zinc/96/22/50/942962250.db2.gz	HTRJSFKUAPMLCY-QFYYESIMSA-N	-1	3	352.337	3.617	20	10		FHCDHM
CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000825319064	947154571	/nfs/dbraw/zinc/15/45/71/947154571.db2.gz	WMDNPLUPWXLJOV-UHFFFAOYSA-N	-1	3	357.845	3.638	20	10		FHCDHM
CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000825319064	947154577	/nfs/dbraw/zinc/15/45/77/947154577.db2.gz	WMDNPLUPWXLJOV-UHFFFAOYSA-N	-1	3	357.845	3.638	20	10		FHCDHM
CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000825319064	947154581	/nfs/dbraw/zinc/15/45/81/947154581.db2.gz	WMDNPLUPWXLJOV-UHFFFAOYSA-N	-1	3	357.845	3.638	20	10		FHCDHM
CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000825319064	947154587	/nfs/dbraw/zinc/15/45/87/947154587.db2.gz	WMDNPLUPWXLJOV-UHFFFAOYSA-N	-1	3	357.845	3.638	20	10		FHCDHM
CCCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736415277	598611362	/nfs/dbraw/zinc/61/13/62/598611362.db2.gz	GFTKBYNEYYLVRO-UHFFFAOYSA-N	-1	3	366.469	3.583	20	10		FHCDHM
C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1	ZINC000820426727	599395697	/nfs/dbraw/zinc/39/56/97/599395697.db2.gz	MYYDQPZOFWKDNK-SECBINFHSA-N	-1	3	364.236	3.730	20	10		FHCDHM
C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1	ZINC000820426727	599395700	/nfs/dbraw/zinc/39/57/00/599395700.db2.gz	MYYDQPZOFWKDNK-SECBINFHSA-N	-1	3	364.236	3.730	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c([O-])c1O	ZINC000179441043	939160959	/nfs/dbraw/zinc/16/09/59/939160959.db2.gz	LKUCFKQWULLSDV-UHFFFAOYSA-N	-1	3	368.433	3.675	20	10		FHCDHM
CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1[O-]	ZINC000177250016	940046284	/nfs/dbraw/zinc/04/62/84/940046284.db2.gz	SBSVQYLNPCLJHQ-UHFFFAOYSA-N	-1	3	372.440	3.730	20	10		FHCDHM
CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000273421246	942952779	/nfs/dbraw/zinc/95/27/79/942952779.db2.gz	SFFRPYSIYYZXJB-UONOGXRCSA-N	-1	3	371.437	3.680	20	10		FHCDHM
COc1ccc(C(=O)N2CCCC2)cc1NCc1c([O-])cccc1Cl	ZINC000123915083	944542153	/nfs/dbraw/zinc/54/21/53/944542153.db2.gz	UVHDHJFAJZALLE-UHFFFAOYSA-N	-1	3	360.841	3.902	20	10		FHCDHM
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@H](C)c1ccc(F)cc1[O-]	ZINC000281709689	945811965	/nfs/dbraw/zinc/81/19/65/945811965.db2.gz	TYTDTUCXUAZMQZ-YJYMSZOUSA-N	-1	3	358.413	3.622	20	10		FHCDHM
COc1c([O-])c(CNc2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-]	ZINC000278923065	948125412	/nfs/dbraw/zinc/12/54/12/948125412.db2.gz	VCZZGIWXVPEEIV-UHFFFAOYSA-N	-1	3	359.382	3.516	20	10		FHCDHM
O=C([O-])c1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000819683876	597136062	/nfs/dbraw/zinc/13/60/62/597136062.db2.gz	ZBWDOMWQGGVHBW-UHFFFAOYSA-N	-1	3	369.421	3.573	20	10		FHCDHM
CC(C)[N@H+](CCC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21	ZINC000736469092	600609146	/nfs/dbraw/zinc/60/91/46/600609146.db2.gz	YVXIMNVJSWPWJD-UHFFFAOYSA-N	-1	3	366.255	3.993	20	10		FHCDHM
CC(C)[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21	ZINC000736469092	600609150	/nfs/dbraw/zinc/60/91/50/600609150.db2.gz	YVXIMNVJSWPWJD-UHFFFAOYSA-N	-1	3	366.255	3.993	20	10		FHCDHM
C[N@H+](Cc1cc(F)ccc1[O-])[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC000833694286	605482415	/nfs/dbraw/zinc/48/24/15/605482415.db2.gz	OPNIJOBMYKDNRQ-HNNXBMFYSA-N	-1	3	368.202	3.552	20	10		FHCDHM
C[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC000833694286	605482418	/nfs/dbraw/zinc/48/24/18/605482418.db2.gz	OPNIJOBMYKDNRQ-HNNXBMFYSA-N	-1	3	368.202	3.552	20	10		FHCDHM
CC(C)(C)c1cnc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1	ZINC000819966040	607118538	/nfs/dbraw/zinc/11/85/38/607118538.db2.gz	TZLYMHXJZPVFFU-UHFFFAOYSA-N	-1	3	362.440	3.680	20	10		FHCDHM
CC(C)(C)c1cnc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1	ZINC000819966040	607118540	/nfs/dbraw/zinc/11/85/40/607118540.db2.gz	TZLYMHXJZPVFFU-UHFFFAOYSA-N	-1	3	362.440	3.680	20	10		FHCDHM
C[S@@](=O)C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1	ZINC000154701117	929213026	/nfs/dbraw/zinc/21/30/26/929213026.db2.gz	GBWVKQHVTIRTKR-QRQCRPRQSA-N	-1	3	358.290	3.908	20	10		FHCDHM
O=c1[nH]c2ccccc2n1C1CCN(Cc2c([O-])cccc2Cl)CC1	ZINC000121804025	935737119	/nfs/dbraw/zinc/73/71/19/935737119.db2.gz	DEKLOUBTPUKZBU-UHFFFAOYSA-N	-1	3	357.841	3.526	20	10		FHCDHM
COc1c([O-])c(CN(C)[C@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-]	ZINC000278294317	938289120	/nfs/dbraw/zinc/28/91/20/938289120.db2.gz	VBUOILBJZKMIGW-SNVBAGLBSA-N	-1	3	351.428	3.575	20	10		FHCDHM
Cc1[nH]c([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])nc1-c1ccccc1	ZINC000376558274	941146893	/nfs/dbraw/zinc/14/68/93/941146893.db2.gz	XEZGUDHJWZAACN-INIZCTEOSA-N	-1	3	363.417	3.774	20	10		FHCDHM
CSc1nc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n[n-]1	ZINC000729352908	941729944	/nfs/dbraw/zinc/72/99/44/941729944.db2.gz	WWSYYKYNSNDOPJ-UHFFFAOYSA-N	-1	3	361.858	3.840	20	10		FHCDHM
[O-]c1ccc(Cl)cc1CN1CCCC[C@@H]1c1nc(-c2ncccn2)no1	ZINC000378344710	942612932	/nfs/dbraw/zinc/61/29/32/942612932.db2.gz	BUJPDKWSTUNIKC-CQSZACIVSA-N	-1	3	371.828	3.613	20	10		FHCDHM
COc1c([O-])c(CNc2ccccc2OCC(F)F)ccc1[N+](=O)[O-]	ZINC000278827139	943237790	/nfs/dbraw/zinc/23/77/90/943237790.db2.gz	IIEHRSVPZLIDFE-UHFFFAOYSA-N	-1	3	354.309	3.565	20	10		FHCDHM
COc1ccccc1-c1noc([C@@H](C)NCc2cc(Cl)ccc2[O-])n1	ZINC000364310458	944284396	/nfs/dbraw/zinc/28/43/96/944284396.db2.gz	UPPUPMBMBPMZCZ-LLVKDONJSA-N	-1	3	359.813	3.955	20	10		FHCDHM
COc1c([O-])c(CN[C@H](c2ccccn2)C2CCCC2)ccc1[N+](=O)[O-]	ZINC000365386406	568602075	/nfs/dbraw/zinc/60/20/75/568602075.db2.gz	QUWVJKNVWWBNHZ-KRWDZBQOSA-N	-1	3	357.410	3.725	20	10		FHCDHM
CCC[C@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736422340	598610271	/nfs/dbraw/zinc/61/02/71/598610271.db2.gz	HKEANTYHTKPKJP-ZDUSSCGKSA-N	-1	3	366.469	3.535	20	10		FHCDHM
Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)oc1C	ZINC000134263404	930818039	/nfs/dbraw/zinc/81/80/39/930818039.db2.gz	OHTKYZJTGNWFPD-INIZCTEOSA-N	-1	3	362.857	3.650	20	10		FHCDHM
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1[O-]	ZINC000273511712	942975367	/nfs/dbraw/zinc/97/53/67/942975367.db2.gz	RVQSEKOZLPXGRM-LKFCYVNXSA-N	-1	3	372.209	3.817	20	10		FHCDHM
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1[O-]	ZINC000273546519	942982839	/nfs/dbraw/zinc/98/28/39/942982839.db2.gz	ZKGIMWFCZOEOGS-OTYXRUKQSA-N	-1	3	372.209	3.817	20	10		FHCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CCC(F)(F)CC1	ZINC001167741186	943321505	/nfs/dbraw/zinc/32/15/05/943321505.db2.gz	QDZGRZASTCCCPD-UHFFFAOYSA-N	-1	3	361.816	3.846	20	10		FHCDHM
Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1cccc(C)c1	ZINC000120668925	945757032	/nfs/dbraw/zinc/75/70/32/945757032.db2.gz	KLUAWPASVKMECE-UHFFFAOYSA-N	-1	3	372.432	3.835	20	10		FHCDHM
Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1cccc(C)c1	ZINC000120668925	945757037	/nfs/dbraw/zinc/75/70/37/945757037.db2.gz	KLUAWPASVKMECE-UHFFFAOYSA-N	-1	3	372.432	3.835	20	10		FHCDHM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C	ZINC000840915945	946759925	/nfs/dbraw/zinc/75/99/25/946759925.db2.gz	UHXGLZGCWXVKFD-UHFFFAOYSA-N	-1	3	363.479	3.882	20	10		FHCDHM
[O-]c1c(F)cc(F)cc1CN1CCC2(CC1)C[C@H](O)c1ccccc1O2	ZINC000897265022	947070224	/nfs/dbraw/zinc/07/02/24/947070224.db2.gz	SOFGASKGNIZQOA-KRWDZBQOSA-N	-1	3	361.388	3.521	20	10		FHCDHM
Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737361066	598609519	/nfs/dbraw/zinc/60/95/19/598609519.db2.gz	ROGJURRRTRWOBU-UHFFFAOYSA-N	-1	3	372.432	3.835	20	10		FHCDHM
O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](c3cccs3)C2)c1O	ZINC000833309018	602124779	/nfs/dbraw/zinc/12/47/79/602124779.db2.gz	ZLOSJLPGLHTYEK-KRWDZBQOSA-N	-1	3	369.442	3.879	20	10		FHCDHM
CC(C)(C)c1cnc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)s1	ZINC000824135982	607659775	/nfs/dbraw/zinc/65/97/75/607659775.db2.gz	LIAWNRURDWHPSF-UHFFFAOYSA-N	-1	3	359.480	3.596	20	10		FHCDHM
CC(C)(C)c1cnc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)s1	ZINC000824135982	607659777	/nfs/dbraw/zinc/65/97/77/607659777.db2.gz	LIAWNRURDWHPSF-UHFFFAOYSA-N	-1	3	359.480	3.596	20	10		FHCDHM
COc1c([O-])c(CN(C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-]	ZINC000278168594	937293884	/nfs/dbraw/zinc/29/38/84/937293884.db2.gz	FPNQOTCBVCQBQH-CQSZACIVSA-N	-1	3	363.439	3.583	20	10		FHCDHM
O=C(NC1(c2ccc(C(F)(F)F)cc2)CCC1)c1cccc(O)c1[O-]	ZINC001167588846	935871983	/nfs/dbraw/zinc/87/19/83/935871983.db2.gz	GIWXDPVELYRIEA-UHFFFAOYSA-N	-1	3	351.324	3.926	20	10		FHCDHM
COc1c([O-])c(CN(C)[C@@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-]	ZINC000278294314	938289045	/nfs/dbraw/zinc/28/90/45/938289045.db2.gz	VBUOILBJZKMIGW-JTQLQIEISA-N	-1	3	351.428	3.575	20	10		FHCDHM
CCNC(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1C	ZINC000278792331	940008542	/nfs/dbraw/zinc/00/85/42/940008542.db2.gz	MHCGENSONMEVEC-CYBMUJFWSA-N	-1	3	371.437	3.802	20	10		FHCDHM
CC[C@@H](Nc1cccc2c1CCN2C(=O)COC)c1ccc(F)cc1[O-]	ZINC000375887469	940021196	/nfs/dbraw/zinc/02/11/96/940021196.db2.gz	JEAZLLDDQBFNNX-MRXNPFEDSA-N	-1	3	358.413	3.630	20	10		FHCDHM
COc1ccc2ccc([O-])c(CN3CCn4c(C(C)C)nnc4[C@@H]3C)c2c1	ZINC000190220732	943997068	/nfs/dbraw/zinc/99/70/68/943997068.db2.gz	LBJZVGYSUJDKKN-AWEZNQCLSA-N	-1	3	366.465	3.846	20	10		FHCDHM
Cn1nc2c(c1CNCc1cc(Cl)cc(Cl)c1[O-])CSCC2	ZINC000894781703	944606675	/nfs/dbraw/zinc/60/66/75/944606675.db2.gz	RJGBMZVCKIMHMQ-UHFFFAOYSA-N	-1	3	358.294	3.512	20	10		FHCDHM
Cc1cc(Br)cc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1[O-]	ZINC000840998852	947677170	/nfs/dbraw/zinc/67/71/70/947677170.db2.gz	YCHWADXKWKTPPA-ZDUSSCGKSA-N	-1	3	358.276	3.832	20	10		FHCDHM
COc1c([O-])c(CNc2ccc(NC(=O)CC(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000278947488	948327100	/nfs/dbraw/zinc/32/71/00/948327100.db2.gz	YVKWBIWBXUFYDY-UHFFFAOYSA-N	-1	3	373.409	3.906	20	10		FHCDHM
Cc1cc(C(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737400533	598609814	/nfs/dbraw/zinc/60/98/14/598609814.db2.gz	VHBWDNSFHFSZQE-UHFFFAOYSA-N	-1	3	372.432	3.835	20	10		FHCDHM
CCCCN(CC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736455889	598610285	/nfs/dbraw/zinc/61/02/85/598610285.db2.gz	DXALBCJDTFSPJP-UHFFFAOYSA-N	-1	3	366.469	3.536	20	10		FHCDHM
C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1	ZINC000820426730	599395961	/nfs/dbraw/zinc/39/59/61/599395961.db2.gz	MYYDQPZOFWKDNK-VIFPVBQESA-N	-1	3	364.236	3.730	20	10		FHCDHM
C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1	ZINC000820426730	599395964	/nfs/dbraw/zinc/39/59/64/599395964.db2.gz	MYYDQPZOFWKDNK-VIFPVBQESA-N	-1	3	364.236	3.730	20	10		FHCDHM
COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1C	ZINC000738008101	600433182	/nfs/dbraw/zinc/43/31/82/600433182.db2.gz	CEXIUGZFVSDMDI-INIZCTEOSA-N	-1	3	364.239	3.682	20	10		FHCDHM
CC1CCN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cc2)CC1	ZINC000825955031	603548965	/nfs/dbraw/zinc/54/89/65/603548965.db2.gz	DWLBKKPTYNBXKU-UHFFFAOYSA-N	-1	3	354.454	3.698	20	10		FHCDHM
O=C([O-])N[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21	ZINC000834159345	605792527	/nfs/dbraw/zinc/79/25/27/605792527.db2.gz	SQJVUIZBNRXFER-PMACEKPBSA-N	-1	3	351.450	3.830	20	10		FHCDHM
Oc1ccccc1CN(Cc1ccco1)c1cccc(F)c1-c1nnn[n-]1	ZINC000826511271	608540671	/nfs/dbraw/zinc/54/06/71/608540671.db2.gz	IYCLYOHGVWYHSR-UHFFFAOYSA-N	-1	3	365.368	3.511	20	10		FHCDHM
Oc1ccccc1CN(Cc1ccco1)c1cccc(F)c1-c1nn[n-]n1	ZINC000826511271	608540673	/nfs/dbraw/zinc/54/06/73/608540673.db2.gz	IYCLYOHGVWYHSR-UHFFFAOYSA-N	-1	3	365.368	3.511	20	10		FHCDHM
Cc1cc(Br)c([O-])c(CNc2cc(-c3nn[nH]n3)ccc2C)c1	ZINC000826256616	609409787	/nfs/dbraw/zinc/40/97/87/609409787.db2.gz	RUDDPEVVOAAADM-UHFFFAOYSA-N	-1	3	374.242	3.564	20	10		FHCDHM
C[S@](=O)C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1	ZINC000154701217	929213888	/nfs/dbraw/zinc/21/38/88/929213888.db2.gz	GBWVKQHVTIRTKR-IVZQSRNASA-N	-1	3	358.290	3.908	20	10		FHCDHM
COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC(C)C	ZINC000278297509	938293700	/nfs/dbraw/zinc/29/37/00/938293700.db2.gz	CKZQWGPTQFQKRV-UHFFFAOYSA-N	-1	3	362.382	3.717	20	10		FHCDHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1CF	ZINC001167740710	943281823	/nfs/dbraw/zinc/28/18/23/943281823.db2.gz	NUFFNQWDGQFDIJ-UHFFFAOYSA-N	-1	3	351.805	3.690	20	10		FHCDHM
C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC(F)(F)F)cc1	ZINC000192990562	944435220	/nfs/dbraw/zinc/43/52/20/944435220.db2.gz	VANSPDZBRZQTAR-SNVBAGLBSA-N	-1	3	355.312	3.530	20	10		FHCDHM
Cc1ccc([C@H](NCc2cccc(Cl)c2[O-])[C@H](C)S(C)(=O)=O)cc1	ZINC000280789905	945504521	/nfs/dbraw/zinc/50/45/21/945504521.db2.gz	QWGMJYVVWZJFNQ-SUMWQHHRSA-N	-1	3	367.898	3.618	20	10		FHCDHM
Cc1ccc(NC(=O)CN(C)Cc2cc(Br)ccc2[O-])cc1	ZINC000159152638	946938584	/nfs/dbraw/zinc/93/85/84/946938584.db2.gz	AXAIIUIQZRIQLW-UHFFFAOYSA-N	-1	3	363.255	3.534	20	10		FHCDHM
C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1	ZINC000736132713	598274773	/nfs/dbraw/zinc/27/47/73/598274773.db2.gz	CNMZZRCNCLJNFQ-VIFPVBQESA-N	-1	3	364.236	3.730	20	10		FHCDHM
C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1	ZINC000736132713	598274775	/nfs/dbraw/zinc/27/47/75/598274775.db2.gz	CNMZZRCNCLJNFQ-VIFPVBQESA-N	-1	3	364.236	3.730	20	10		FHCDHM
CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cc2)CC1	ZINC000736281909	598503413	/nfs/dbraw/zinc/50/34/13/598503413.db2.gz	YNNRKZHHENSNMP-UHFFFAOYSA-N	-1	3	366.444	3.854	20	10		FHCDHM
Cc1cc(-c2nc(CC(C)C)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737222403	598611386	/nfs/dbraw/zinc/61/13/86/598611386.db2.gz	XVZFJDPJDCTXIZ-UHFFFAOYSA-N	-1	3	363.425	3.523	20	10		FHCDHM
O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F	ZINC000739500614	600300542	/nfs/dbraw/zinc/30/05/42/600300542.db2.gz	QPNRRHIITQJIDA-MRXNPFEDSA-N	-1	3	351.324	3.556	20	10		FHCDHM
c1cc(N2CCCC2)ccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1	ZINC000826516937	608224328	/nfs/dbraw/zinc/22/43/28/608224328.db2.gz	IYMCJDQGFBXHCI-UHFFFAOYSA-N	-1	3	371.448	3.627	20	10		FHCDHM
c1cc(N2CCCC2)ccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1	ZINC000826516937	608224330	/nfs/dbraw/zinc/22/43/30/608224330.db2.gz	IYMCJDQGFBXHCI-UHFFFAOYSA-N	-1	3	371.448	3.627	20	10		FHCDHM
C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000825977019	608521499	/nfs/dbraw/zinc/52/14/99/608521499.db2.gz	VWNRRXMZSGETBE-UHFFFAOYSA-N	-1	3	364.236	3.511	20	10		FHCDHM
C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000825977019	608521500	/nfs/dbraw/zinc/52/15/00/608521500.db2.gz	VWNRRXMZSGETBE-UHFFFAOYSA-N	-1	3	364.236	3.511	20	10		FHCDHM
C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000825977019	608521501	/nfs/dbraw/zinc/52/15/01/608521501.db2.gz	VWNRRXMZSGETBE-UHFFFAOYSA-N	-1	3	364.236	3.511	20	10		FHCDHM
C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000825977019	608521502	/nfs/dbraw/zinc/52/15/02/608521502.db2.gz	VWNRRXMZSGETBE-UHFFFAOYSA-N	-1	3	364.236	3.511	20	10		FHCDHM
CCc1nnc(CN[C@H](CC)c2cc(Br)ccc2[O-])s1	ZINC000290277170	932586223	/nfs/dbraw/zinc/58/62/23/932586223.db2.gz	WUBRQTQMFXUARQ-LLVKDONJSA-N	-1	3	356.289	3.810	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)c([O-])c1O	ZINC000179409660	939150894	/nfs/dbraw/zinc/15/08/94/939150894.db2.gz	YOTCCJKNCWSFHX-UHFFFAOYSA-N	-1	3	355.419	3.543	20	10		FHCDHM
Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@H]2CCOC2)c1	ZINC000273616636	942997700	/nfs/dbraw/zinc/99/77/00/942997700.db2.gz	XMXYEZYJXDJWHD-YOEHRIQHSA-N	-1	3	372.421	3.627	20	10		FHCDHM
C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC(F)(F)F)cc1	ZINC000192990548	944435702	/nfs/dbraw/zinc/43/57/02/944435702.db2.gz	VANSPDZBRZQTAR-JTQLQIEISA-N	-1	3	355.312	3.530	20	10		FHCDHM
CN(C)c1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1F	ZINC000124034013	945062106	/nfs/dbraw/zinc/06/21/06/945062106.db2.gz	UPTNGQDSUVGUPC-UHFFFAOYSA-N	-1	3	356.441	3.692	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c([O-])c1O	ZINC000179533545	939885073	/nfs/dbraw/zinc/88/50/73/939885073.db2.gz	UVSCSBCRIKTAGI-UHFFFAOYSA-N	-1	3	368.364	3.772	20	10		FHCDHM
Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c([O-])c1O	ZINC000182094530	942668475	/nfs/dbraw/zinc/66/84/75/942668475.db2.gz	YWKBVLPFIIMWDY-UHFFFAOYSA-N	-1	3	362.385	3.911	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c([O-])c1O	ZINC000780917867	943822789	/nfs/dbraw/zinc/82/27/89/943822789.db2.gz	AOLWAKPRJCIATN-UHFFFAOYSA-N	-1	3	368.414	3.972	20	10		FHCDHM
O=C([O-])c1sccc1NC(=O)CN(Cc1ccccc1O)C1CCCC1	ZINC000739274472	600148376	/nfs/dbraw/zinc/14/83/76/600148376.db2.gz	NMVDXTIRFPMHHQ-UHFFFAOYSA-N	-1	3	374.462	3.535	20	10		FHCDHM
O=C([O-])c1sccc1NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1	ZINC000739274472	600148377	/nfs/dbraw/zinc/14/83/77/600148377.db2.gz	NMVDXTIRFPMHHQ-UHFFFAOYSA-N	-1	3	374.462	3.535	20	10		FHCDHM
O=C([O-])c1sccc1NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1	ZINC000739274472	600148378	/nfs/dbraw/zinc/14/83/78/600148378.db2.gz	NMVDXTIRFPMHHQ-UHFFFAOYSA-N	-1	3	374.462	3.535	20	10		FHCDHM
Clc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nnn[n-]2)c1	ZINC000826352363	608296236	/nfs/dbraw/zinc/29/62/36/608296236.db2.gz	YERXXNZTZWWAQA-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
Clc1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[n-]n2)c1	ZINC000826352363	608296239	/nfs/dbraw/zinc/29/62/39/608296239.db2.gz	YERXXNZTZWWAQA-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000824292912	608580131	/nfs/dbraw/zinc/58/01/31/608580131.db2.gz	DIRMMMXKMXVRTE-UHFFFAOYSA-N	-1	3	357.845	3.636	20	10		FHCDHM
CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000824292912	608580132	/nfs/dbraw/zinc/58/01/32/608580132.db2.gz	DIRMMMXKMXVRTE-UHFFFAOYSA-N	-1	3	357.845	3.636	20	10		FHCDHM
CC(C)[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000824292912	608580134	/nfs/dbraw/zinc/58/01/34/608580134.db2.gz	DIRMMMXKMXVRTE-UHFFFAOYSA-N	-1	3	357.845	3.636	20	10		FHCDHM
CC(C)[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(Cl)c1[O-]	ZINC000824292912	608580136	/nfs/dbraw/zinc/58/01/36/608580136.db2.gz	DIRMMMXKMXVRTE-UHFFFAOYSA-N	-1	3	357.845	3.636	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([O-])c1O	ZINC000177677769	940349093	/nfs/dbraw/zinc/34/90/93/940349093.db2.gz	UFUPABHLHJADAN-UHFFFAOYSA-N	-1	3	368.414	3.972	20	10		FHCDHM
COc1cc(F)c([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC	ZINC000273465007	942963759	/nfs/dbraw/zinc/96/37/59/942963759.db2.gz	DNSTUUQFCNKRCB-QWRGUYRKSA-N	-1	3	364.373	3.869	20	10		FHCDHM
CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1	ZINC000186964454	943399887	/nfs/dbraw/zinc/39/98/87/943399887.db2.gz	ZKMWJVJZRMFDPI-UHFFFAOYSA-N	-1	3	351.406	3.718	20	10		FHCDHM
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1[O-]	ZINC000364190262	944017677	/nfs/dbraw/zinc/01/76/77/944017677.db2.gz	LGPPPEOCCSQZJR-INIZCTEOSA-N	-1	3	359.401	3.722	20	10		FHCDHM
CC(=O)c1cc(F)cc(CN2CCC(c3noc(C(C)C)n3)CC2)c1[O-]	ZINC000364218495	944081907	/nfs/dbraw/zinc/08/19/07/944081907.db2.gz	QUHSYOMVTKAYQE-UHFFFAOYSA-N	-1	3	361.417	3.620	20	10		FHCDHM
c1ccc2c(c1)nc(NCc1ccc(N3CCCC3)cc1)cc2-c1nnn[n-]1	ZINC000738432005	599408709	/nfs/dbraw/zinc/40/87/09/599408709.db2.gz	BNIIYXTYZRIJRW-UHFFFAOYSA-N	-1	3	371.448	3.627	20	10		FHCDHM
c1ccc2c(c1)nc(NCc1ccc(N3CCCC3)cc1)cc2-c1nn[n-]n1	ZINC000738432005	599408712	/nfs/dbraw/zinc/40/87/12/599408712.db2.gz	BNIIYXTYZRIJRW-UHFFFAOYSA-N	-1	3	371.448	3.627	20	10		FHCDHM
O=C([O-])c1cccc(OCCN(Cc2ccco2)Cc2ccccc2O)c1	ZINC000740227774	600143607	/nfs/dbraw/zinc/14/36/07/600143607.db2.gz	YMRFQWIHZMRYDA-UHFFFAOYSA-N	-1	3	367.401	3.765	20	10		FHCDHM
Cc1cc([C@@H]2CCCN2Cc2c(O)c(C(=O)[O-])cc3ccccc32)no1	ZINC000832881204	601299925	/nfs/dbraw/zinc/29/99/25/601299925.db2.gz	LGDURGMXIBDQIZ-SFHVURJKSA-N	-1	3	352.390	3.877	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1	ZINC000821589623	606174297	/nfs/dbraw/zinc/17/42/97/606174297.db2.gz	WHRQVJQSOTXOEC-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1	ZINC000821589623	606174299	/nfs/dbraw/zinc/17/42/99/606174299.db2.gz	WHRQVJQSOTXOEC-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1[O-]	ZINC000834895403	932225564	/nfs/dbraw/zinc/22/55/64/932225564.db2.gz	PKRFQCVAJJPQCS-VHSXEESVSA-N	-1	3	356.239	3.922	20	10		FHCDHM
CCc1nnc(CN[C@@H](CC)c2cc(Br)ccc2[O-])s1	ZINC000290277173	932586375	/nfs/dbraw/zinc/58/63/75/932586375.db2.gz	WUBRQTQMFXUARQ-NSHDSACASA-N	-1	3	356.289	3.810	20	10		FHCDHM
O=C(NC1CCOCC1)c1ccc(NCc2c([O-])cccc2Cl)cc1	ZINC000278806064	941103519	/nfs/dbraw/zinc/10/35/19/941103519.db2.gz	YCYMRROQVKBYGK-UHFFFAOYSA-N	-1	3	360.841	3.567	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c([O-])c1O	ZINC000182155494	942682578	/nfs/dbraw/zinc/68/25/78/942682578.db2.gz	FKIOKAIZYDXYSN-UHFFFAOYSA-N	-1	3	368.433	3.531	20	10		FHCDHM
C[C@H](NCc1csc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000756409321	942780617	/nfs/dbraw/zinc/78/06/17/942780617.db2.gz	YJZMQAMFRQYVLP-QMMMGPOBSA-N	-1	3	357.229	3.975	20	10		FHCDHM
COc1cc(F)c([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC	ZINC000273465002	942964142	/nfs/dbraw/zinc/96/41/42/942964142.db2.gz	DNSTUUQFCNKRCB-MNOVXSKESA-N	-1	3	364.373	3.869	20	10		FHCDHM
COC(=O)CN(Cc1ccc2c(c1)CCC2)Cc1cc(Cl)ccc1[O-]	ZINC001167740800	943282620	/nfs/dbraw/zinc/28/26/20/943282620.db2.gz	OJZHTSKGSYDWTD-UHFFFAOYSA-N	-1	3	359.853	3.710	20	10		FHCDHM
COC(=O)CN(CC[C@@H]1CCCC1(F)F)Cc1cc(Cl)ccc1[O-]	ZINC001167742399	943416187	/nfs/dbraw/zinc/41/61/87/943416187.db2.gz	ZSAAAKPOGOGKLB-ZDUSSCGKSA-N	-1	3	361.816	3.846	20	10		FHCDHM
O=C([N-]c1c2nonc2ccc1Cl)c1ccsc1Br	ZINC001271355345	945847336	/nfs/dbraw/zinc/84/73/36/945847336.db2.gz	CFYLYBJUIYERRF-UHFFFAOYSA-N	-1	3	358.604	3.953	20	10		FHCDHM
CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c2nonc2ccc1Cl	ZINC001271356137	945848165	/nfs/dbraw/zinc/84/81/65/945848165.db2.gz	KJSQBHJRUAKXRI-UHFFFAOYSA-N	-1	3	364.770	3.759	20	10		FHCDHM
[O-]c1c(CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)ccc(F)c1F	ZINC000897264562	947068839	/nfs/dbraw/zinc/06/88/39/947068839.db2.gz	DQPUYLSEIMHIBD-MRXNPFEDSA-N	-1	3	361.388	3.521	20	10		FHCDHM
[O-]c1c(CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)ccc(F)c1F	ZINC000897264561	947069120	/nfs/dbraw/zinc/06/91/20/947069120.db2.gz	DQPUYLSEIMHIBD-INIZCTEOSA-N	-1	3	361.388	3.521	20	10		FHCDHM
[O-]c1c(Br)cccc1CN1CCN(c2ccc(F)cc2)CC1	ZINC000317466480	948201660	/nfs/dbraw/zinc/20/16/60/948201660.db2.gz	YUMNQOBGGJDWRF-UHFFFAOYSA-N	-1	3	365.246	3.616	20	10		FHCDHM
C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1	ZINC000736132711	598275003	/nfs/dbraw/zinc/27/50/03/598275003.db2.gz	CNMZZRCNCLJNFQ-SECBINFHSA-N	-1	3	364.236	3.730	20	10		FHCDHM
C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1	ZINC000736132711	598275004	/nfs/dbraw/zinc/27/50/04/598275004.db2.gz	CNMZZRCNCLJNFQ-SECBINFHSA-N	-1	3	364.236	3.730	20	10		FHCDHM
CC(C)(C)c1cc(O)c([O-])c(C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1	ZINC000738730447	601911996	/nfs/dbraw/zinc/91/19/96/601911996.db2.gz	JUIMRENNHAHGAZ-UHFFFAOYSA-N	-1	3	362.470	3.502	20	10		FHCDHM
CC(C)(C)c1cc(O)c([O-])c(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1	ZINC000738730447	601911998	/nfs/dbraw/zinc/91/19/98/601911998.db2.gz	JUIMRENNHAHGAZ-UHFFFAOYSA-N	-1	3	362.470	3.502	20	10		FHCDHM
O=C([O-])N[C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21	ZINC000834159350	605792769	/nfs/dbraw/zinc/79/27/69/605792769.db2.gz	SQJVUIZBNRXFER-UXHICEINSA-N	-1	3	351.450	3.830	20	10		FHCDHM
CSc1ccccc1NC(=O)CN(C)Cc1cc(Cl)ccc1[O-]	ZINC000160883890	931967138	/nfs/dbraw/zinc/96/71/38/931967138.db2.gz	BCUHUULABFELDQ-UHFFFAOYSA-N	-1	3	350.871	3.838	20	10		FHCDHM
[O-]c1c(Br)cccc1CN1CCN(Cc2cccs2)CC1	ZINC000119898661	941905900	/nfs/dbraw/zinc/90/59/00/941905900.db2.gz	ISIBQLIYRDIDJF-UHFFFAOYSA-N	-1	3	367.312	3.534	20	10		FHCDHM
Cc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c([O-])c1O	ZINC000181955796	942647631	/nfs/dbraw/zinc/64/76/31/942647631.db2.gz	FTTNJIMMQKUOAE-UHFFFAOYSA-N	-1	3	350.374	3.633	20	10		FHCDHM
CCCN(C(=O)c1ccccc1NC(=O)c1ccc(C)c(O)c1[O-])C(C)C	ZINC000182848090	942796839	/nfs/dbraw/zinc/79/68/39/942796839.db2.gz	KVHJJRFJBSSIJP-UHFFFAOYSA-N	-1	3	370.449	3.919	20	10		FHCDHM
COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1	ZINC000273357899	942938920	/nfs/dbraw/zinc/93/89/20/942938920.db2.gz	DBWZQECDWVJZEY-LBPRGKRZSA-N	-1	3	354.406	3.700	20	10		FHCDHM
Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(F)cc1[O-]	ZINC000281709688	945811405	/nfs/dbraw/zinc/81/14/05/945811405.db2.gz	TYTDTUCXUAZMQZ-ORAYPTAESA-N	-1	3	358.413	3.622	20	10		FHCDHM
Cc1cccc(NC(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c1	ZINC000127124950	947084358	/nfs/dbraw/zinc/08/43/58/947084358.db2.gz	PEQNEVKOZKBDRO-UHFFFAOYSA-N	-1	3	359.857	3.704	20	10		FHCDHM
CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N(C)C)cc3C)nc2)n1	ZINC000301283363	947267026	/nfs/dbraw/zinc/26/70/26/947267026.db2.gz	KXTYSUVNJOKYLK-UHFFFAOYSA-N	-1	3	363.465	3.793	20	10		FHCDHM
C[C@@]1(CO)CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1	ZINC001141367437	947706084	/nfs/dbraw/zinc/70/60/84/947706084.db2.gz	AAGVYBHZFCYTKD-OAHLLOKOSA-N	-1	3	362.695	3.793	20	10		FHCDHM
CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000829497024	600851361	/nfs/dbraw/zinc/85/13/61/600851361.db2.gz	VDOWGZUHFUEJEY-OAHLLOKOSA-N	-1	3	370.449	3.638	20	10		FHCDHM
CCN(Cc1nc(C2CCC2)no1)Cc1cc(Br)ccc1[O-]	ZINC001167513825	935077856	/nfs/dbraw/zinc/07/78/56/935077856.db2.gz	XVJRVLXILQVJIB-UHFFFAOYSA-N	-1	3	366.259	3.827	20	10		FHCDHM
COc1ccc(OC(F)F)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1	ZINC000278573721	938545155	/nfs/dbraw/zinc/54/51/55/938545155.db2.gz	DFKQRDXMCNFPMM-UHFFFAOYSA-N	-1	3	370.308	3.531	20	10		FHCDHM
O=C1CCCN1CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000378344049	942620234	/nfs/dbraw/zinc/62/02/34/942620234.db2.gz	XNYZJWSESJCSPH-UHFFFAOYSA-N	-1	3	357.281	3.533	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c([O-])c1O	ZINC000780922823	944284187	/nfs/dbraw/zinc/28/41/87/944284187.db2.gz	SZQFCPDCYGKQSL-UHFFFAOYSA-N	-1	3	367.430	3.908	20	10		FHCDHM
Cc1ccc([C@H](NCc2cccc(Cl)c2[O-])[C@@H](C)S(C)(=O)=O)cc1	ZINC000280789887	945503929	/nfs/dbraw/zinc/50/39/29/945503929.db2.gz	QWGMJYVVWZJFNQ-CXAGYDPISA-N	-1	3	367.898	3.618	20	10		FHCDHM
[O-]c1ccc(Br)cc1CNCc1csc(C(F)(F)F)n1	ZINC000894430929	945630435	/nfs/dbraw/zinc/63/04/35/945630435.db2.gz	AKAUXMPWBZCLGP-UHFFFAOYSA-N	-1	3	367.190	3.920	20	10		FHCDHM
O=C(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCSCC1	ZINC000125125118	945632347	/nfs/dbraw/zinc/63/23/47/945632347.db2.gz	ZRTXLECVTTWYDN-UHFFFAOYSA-N	-1	3	362.882	3.847	20	10		FHCDHM
C[C@]1(CO)CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1	ZINC001141367436	947706477	/nfs/dbraw/zinc/70/64/77/947706477.db2.gz	AAGVYBHZFCYTKD-HNNXBMFYSA-N	-1	3	362.695	3.793	20	10		FHCDHM
CCCN(CCC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736472897	598609126	/nfs/dbraw/zinc/60/91/26/598609126.db2.gz	ADZKSOSZAZTORX-UHFFFAOYSA-N	-1	3	366.469	3.536	20	10		FHCDHM
Cn1c(-c2ccccc2)cnc1SCc1ccc(F)cc1-c1nnn[n-]1	ZINC000737590371	598645018	/nfs/dbraw/zinc/64/50/18/598645018.db2.gz	OTRCDBFSLBZAMX-UHFFFAOYSA-N	-1	3	366.425	3.699	20	10		FHCDHM
Cn1c(-c2ccccc2)cnc1SCc1ccc(F)cc1-c1nn[n-]n1	ZINC000737590371	598645019	/nfs/dbraw/zinc/64/50/19/598645019.db2.gz	OTRCDBFSLBZAMX-UHFFFAOYSA-N	-1	3	366.425	3.699	20	10		FHCDHM
COc1ccc(CN(C)Cc2cccc(Br)c2[O-])c(OC)c1	ZINC000160835335	931776816	/nfs/dbraw/zinc/77/68/16/931776816.db2.gz	XONHRWDHDLKPMU-UHFFFAOYSA-N	-1	3	366.255	3.804	20	10		FHCDHM
C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cc(Br)cc(F)c1[O-]	ZINC000363854834	942851114	/nfs/dbraw/zinc/85/11/14/942851114.db2.gz	AHXJDRWYHFARMT-OQPBUACISA-N	-1	3	354.223	3.745	20	10		FHCDHM
COCCOc1ncccc1CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000273394997	942948026	/nfs/dbraw/zinc/94/80/26/942948026.db2.gz	LSVSJWSIAOWQAI-LLVKDONJSA-N	-1	3	371.264	3.970	20	10		FHCDHM
COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(N3CCOC3=O)c2C)c1	ZINC000273404317	942949630	/nfs/dbraw/zinc/94/96/30/942949630.db2.gz	GYOOQTXJQNBRRY-ZDUSSCGKSA-N	-1	3	370.405	3.617	20	10		FHCDHM
O=C1CCCC(=O)N1Cc1ccc(NCc2c([O-])cccc2Cl)cc1	ZINC000273711444	943018003	/nfs/dbraw/zinc/01/80/03/943018003.db2.gz	GJZBGPMYFXXKMH-UHFFFAOYSA-N	-1	3	358.825	3.697	20	10		FHCDHM
Cn1ccnc1[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1	ZINC000894779283	944594631	/nfs/dbraw/zinc/59/46/31/944594631.db2.gz	FMDJOOLQUDFLPQ-SNVBAGLBSA-N	-1	3	370.678	3.531	20	10		FHCDHM
Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c([O-])c1	ZINC000728839776	947365495	/nfs/dbraw/zinc/36/54/95/947365495.db2.gz	NPPCTNXUYPGASY-UHFFFAOYSA-N	-1	3	366.383	3.971	20	10		FHCDHM
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F	ZINC000736819465	598235779	/nfs/dbraw/zinc/23/57/79/598235779.db2.gz	MGDXXFDKYGCLMB-UHFFFAOYSA-N	-1	3	366.444	3.633	20	10		FHCDHM
CCN(CC)c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1	ZINC000736533023	599411613	/nfs/dbraw/zinc/41/16/13/599411613.db2.gz	XQZMSLMBJFUPDE-UHFFFAOYSA-N	-1	3	373.464	3.873	20	10		FHCDHM
CCN(CC)c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1	ZINC000736533023	599411617	/nfs/dbraw/zinc/41/16/17/599411617.db2.gz	XQZMSLMBJFUPDE-UHFFFAOYSA-N	-1	3	373.464	3.873	20	10		FHCDHM
O=C([O-])[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000739582021	600419231	/nfs/dbraw/zinc/41/92/31/600419231.db2.gz	CKRBXWFYJDQHPW-GFCCVEGCSA-N	-1	3	364.239	3.605	20	10		FHCDHM
O=C([O-])[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000739582021	600419232	/nfs/dbraw/zinc/41/92/32/600419232.db2.gz	CKRBXWFYJDQHPW-GFCCVEGCSA-N	-1	3	364.239	3.605	20	10		FHCDHM
CC(C)(C)c1cnc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)s1	ZINC000819965851	607120335	/nfs/dbraw/zinc/12/03/35/607120335.db2.gz	PLJGOJJDTARGAY-UHFFFAOYSA-N	-1	3	359.480	3.596	20	10		FHCDHM
CC(C)(C)c1cnc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)s1	ZINC000819965851	607120336	/nfs/dbraw/zinc/12/03/36/607120336.db2.gz	PLJGOJJDTARGAY-UHFFFAOYSA-N	-1	3	359.480	3.596	20	10		FHCDHM
COc1ccc(-c2nn[n-]n2)cc1NCc1cc(-c2ccccc2)ccc1O	ZINC000826186112	609481482	/nfs/dbraw/zinc/48/14/82/609481482.db2.gz	FOLZDXMQEUHJKD-UHFFFAOYSA-N	-1	3	373.416	3.860	20	10		FHCDHM
CC(C)Oc1ccc(NCc2cc(Cl)ccc2O)cc1-c1nnn[n-]1	ZINC000824329172	609489828	/nfs/dbraw/zinc/48/98/28/609489828.db2.gz	KDCNEAUTRZFFKZ-UHFFFAOYSA-N	-1	3	359.817	3.625	20	10		FHCDHM
CC(C)Oc1ccc(NCc2cc(Cl)ccc2O)cc1-c1nn[n-]n1	ZINC000824329172	609489830	/nfs/dbraw/zinc/48/98/30/609489830.db2.gz	KDCNEAUTRZFFKZ-UHFFFAOYSA-N	-1	3	359.817	3.625	20	10		FHCDHM
Cc1[nH]c2ccccc2c1C1=CCN(c2nccc(C)c2-c2nnn[n-]2)CC1	ZINC000826310373	609579579	/nfs/dbraw/zinc/57/95/79/609579579.db2.gz	UECHBPGHHUJNKV-UHFFFAOYSA-N	-1	3	371.448	3.654	20	10		FHCDHM
Cc1[nH]c2ccccc2c1C1=CCN(c2nccc(C)c2-c2nn[n-]n2)CC1	ZINC000826310373	609579580	/nfs/dbraw/zinc/57/95/80/609579580.db2.gz	UECHBPGHHUJNKV-UHFFFAOYSA-N	-1	3	371.448	3.654	20	10		FHCDHM
COc1c([O-])c(CN(C)[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-]	ZINC000278168590	937293819	/nfs/dbraw/zinc/29/38/19/937293819.db2.gz	FPNQOTCBVCQBQH-AWEZNQCLSA-N	-1	3	363.439	3.583	20	10		FHCDHM
Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)oc1C	ZINC000134263382	930818277	/nfs/dbraw/zinc/81/82/77/930818277.db2.gz	OHTKYZJTGNWFPD-MRXNPFEDSA-N	-1	3	362.857	3.650	20	10		FHCDHM
CN(Cc1cccc(Br)c1[O-])Cc1ccccc1[N+](=O)[O-]	ZINC000179316017	939080635	/nfs/dbraw/zinc/08/06/35/939080635.db2.gz	AEIMRTIHONRQIS-UHFFFAOYSA-N	-1	3	351.200	3.695	20	10		FHCDHM
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1[O-]	ZINC000273511718	942975347	/nfs/dbraw/zinc/97/53/47/942975347.db2.gz	RVQSEKOZLPXGRM-XPTSAGLGSA-N	-1	3	372.209	3.817	20	10		FHCDHM
Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cccc(O)c2[O-])C3)cs1	ZINC000185905485	943241133	/nfs/dbraw/zinc/24/11/33/943241133.db2.gz	OATDNCLWOZXPMU-UHFFFAOYSA-N	-1	3	372.471	3.790	20	10		FHCDHM
COc1ccc(CNCc2cccc(Br)c2[O-])c(F)c1OC	ZINC000894571059	944273393	/nfs/dbraw/zinc/27/33/93/944273393.db2.gz	LZVAZNNJICOXQS-UHFFFAOYSA-N	-1	3	370.218	3.601	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)cc1	ZINC000821589346	607344470	/nfs/dbraw/zinc/34/44/70/607344470.db2.gz	KFPZSGSLRSRHBD-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1	ZINC000821589346	607344472	/nfs/dbraw/zinc/34/44/72/607344472.db2.gz	KFPZSGSLRSRHBD-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
Clc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1	ZINC000737574846	598508073	/nfs/dbraw/zinc/50/80/73/598508073.db2.gz	QVVQYOCRPMUHDX-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
Clc1ccc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1	ZINC000737574846	598508075	/nfs/dbraw/zinc/50/80/75/598508075.db2.gz	QVVQYOCRPMUHDX-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000828028926	601890341	/nfs/dbraw/zinc/89/03/41/601890341.db2.gz	IIZGDEJZZYZIOV-QGZVFWFLSA-N	-1	3	364.239	3.605	20	10		FHCDHM
C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000828028926	601890343	/nfs/dbraw/zinc/89/03/43/601890343.db2.gz	IIZGDEJZZYZIOV-QGZVFWFLSA-N	-1	3	364.239	3.605	20	10		FHCDHM
O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1	ZINC000833169823	601975591	/nfs/dbraw/zinc/97/55/91/601975591.db2.gz	LDRHWKQWYRQYJU-MRXNPFEDSA-N	-1	3	352.217	3.844	20	10		FHCDHM
C[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC000833694287	605483098	/nfs/dbraw/zinc/48/30/98/605483098.db2.gz	OPNIJOBMYKDNRQ-OAHLLOKOSA-N	-1	3	368.202	3.552	20	10		FHCDHM
C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC000833694287	605483100	/nfs/dbraw/zinc/48/31/00/605483100.db2.gz	OPNIJOBMYKDNRQ-OAHLLOKOSA-N	-1	3	368.202	3.552	20	10		FHCDHM
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000728202444	928226869	/nfs/dbraw/zinc/22/68/69/928226869.db2.gz	BJQUZEMJCNWHNI-UHFFFAOYSA-N	-1	3	355.345	3.545	20	10		FHCDHM
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000728202444	928226882	/nfs/dbraw/zinc/22/68/82/928226882.db2.gz	BJQUZEMJCNWHNI-UHFFFAOYSA-N	-1	3	355.345	3.545	20	10		FHCDHM
COc1c([O-])c(CNc2cccc(COCC3CC3)c2)ccc1[N+](=O)[O-]	ZINC000278575023	938547823	/nfs/dbraw/zinc/54/78/23/938547823.db2.gz	DIDKFLPUZDTBRR-UHFFFAOYSA-N	-1	3	358.394	3.848	20	10		FHCDHM
Cn1cc([C@@H](NCc2cccc(F)c2[O-])c2ccc(F)c(Cl)c2)cn1	ZINC000376896184	941461726	/nfs/dbraw/zinc/46/17/26/941461726.db2.gz	MVURREHXFZGISW-KRWDZBQOSA-N	-1	3	363.795	3.937	20	10		FHCDHM
CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000273421242	942952867	/nfs/dbraw/zinc/95/28/67/942952867.db2.gz	SFFRPYSIYYZXJB-KGLIPLIRSA-N	-1	3	371.437	3.680	20	10		FHCDHM
COc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cc1[N-]S(C)(=O)=O	ZINC000273479554	942966561	/nfs/dbraw/zinc/96/65/61/942966561.db2.gz	UBWVSKUBIBIHLE-CYBMUJFWSA-N	-1	3	364.467	3.562	20	10		FHCDHM
Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@@H]2CCOC2)c1	ZINC000273616635	942997779	/nfs/dbraw/zinc/99/77/79/942997779.db2.gz	XMXYEZYJXDJWHD-WMLDXEAASA-N	-1	3	372.421	3.627	20	10		FHCDHM
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1[O-]	ZINC000364190263	944018058	/nfs/dbraw/zinc/01/80/58/944018058.db2.gz	LGPPPEOCCSQZJR-MRXNPFEDSA-N	-1	3	359.401	3.722	20	10		FHCDHM
[O-]c1c(F)cc(F)cc1CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2	ZINC000897265023	947070876	/nfs/dbraw/zinc/07/08/76/947070876.db2.gz	SOFGASKGNIZQOA-QGZVFWFLSA-N	-1	3	361.388	3.521	20	10		FHCDHM
O=C(C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCCC1	ZINC000162647964	568000979	/nfs/dbraw/zinc/00/09/79/568000979.db2.gz	OFFPHFPMVCCTMZ-UHFFFAOYSA-N	-1	3	371.308	3.924	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1	ZINC000736779657	598274756	/nfs/dbraw/zinc/27/47/56/598274756.db2.gz	LFGLIXVDILNTBN-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
Clc1cccc(-c2nnn[n-]2)c1NCc1ccc(N2CCCC2)cc1	ZINC000822586231	599472683	/nfs/dbraw/zinc/47/26/83/599472683.db2.gz	UOFZRHIUMVCUSJ-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
Clc1cccc(-c2nn[n-]n2)c1NCc1ccc(N2CCCC2)cc1	ZINC000822586231	599472684	/nfs/dbraw/zinc/47/26/84/599472684.db2.gz	UOFZRHIUMVCUSJ-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
O=C([O-])c1cccc(OCC[N@H+](Cc2ccccc2[O-])C2CCCC2)c1	ZINC000740226872	600148982	/nfs/dbraw/zinc/14/89/82/600148982.db2.gz	CXNCYBIXWQFGNZ-UHFFFAOYSA-N	-1	3	355.434	3.914	20	10		FHCDHM
O=C([O-])c1cccc(OCC[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1	ZINC000740226872	600148984	/nfs/dbraw/zinc/14/89/84/600148984.db2.gz	CXNCYBIXWQFGNZ-UHFFFAOYSA-N	-1	3	355.434	3.914	20	10		FHCDHM
[O-]c1ccc(Cl)c(F)c1CN1CCC(c2noc(C(F)F)n2)CC1	ZINC000376043424	940230730	/nfs/dbraw/zinc/23/07/30/940230730.db2.gz	HUVOEVQGAKRICJ-UHFFFAOYSA-N	-1	3	361.751	3.885	20	10		FHCDHM
Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(O[C@@H]2CCOC2)c1	ZINC000273616634	942997486	/nfs/dbraw/zinc/99/74/86/942997486.db2.gz	XMXYEZYJXDJWHD-RHSMWYFYSA-N	-1	3	372.421	3.627	20	10		FHCDHM
CCCS(=O)(=O)Nc1ccc(NCc2c([O-])cccc2Cl)cc1	ZINC000123740258	944408708	/nfs/dbraw/zinc/40/87/08/944408708.db2.gz	RFIBIIMRSMVBMJ-UHFFFAOYSA-N	-1	3	354.859	3.809	20	10		FHCDHM
Clc1cc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nnn[n-]1	ZINC000737563821	598508184	/nfs/dbraw/zinc/50/81/84/598508184.db2.gz	GQONQUIWGCRQHD-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
Clc1cc(NCc2ccc(N3CCCC3)cc2)ccc1-c1nn[n-]n1	ZINC000737563821	598508186	/nfs/dbraw/zinc/50/81/86/598508186.db2.gz	GQONQUIWGCRQHD-UHFFFAOYSA-N	-1	3	354.845	3.732	20	10		FHCDHM
Cc1cc(C(=O)Nc2ccccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737436894	598609887	/nfs/dbraw/zinc/60/98/87/598609887.db2.gz	TUHNURARMZLMBA-UHFFFAOYSA-N	-1	3	372.432	3.835	20	10		FHCDHM
CCC(C)(CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736315153	598813071	/nfs/dbraw/zinc/81/30/71/598813071.db2.gz	PYDSYQVONQORQW-UHFFFAOYSA-N	-1	3	366.469	3.583	20	10		FHCDHM
O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1C(F)(F)F	ZINC000739500609	600300229	/nfs/dbraw/zinc/30/02/29/600300229.db2.gz	QPNRRHIITQJIDA-INIZCTEOSA-N	-1	3	351.324	3.556	20	10		FHCDHM
CC(C)Oc1ccc(NCc2c(O)cccc2Cl)cc1-c1nnn[n-]1	ZINC000824329384	609492584	/nfs/dbraw/zinc/49/25/84/609492584.db2.gz	OETRSEWORPZNJH-UHFFFAOYSA-N	-1	3	359.817	3.625	20	10		FHCDHM
CC(C)Oc1ccc(NCc2c(O)cccc2Cl)cc1-c1nn[n-]n1	ZINC000824329384	609492586	/nfs/dbraw/zinc/49/25/86/609492586.db2.gz	OETRSEWORPZNJH-UHFFFAOYSA-N	-1	3	359.817	3.625	20	10		FHCDHM
C[S@@](=O)C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1	ZINC000154700909	929213249	/nfs/dbraw/zinc/21/32/49/929213249.db2.gz	GBWVKQHVTIRTKR-NYHFZMIOSA-N	-1	3	358.290	3.908	20	10		FHCDHM
Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(OCC(F)(F)F)c1	ZINC000179451219	939164531	/nfs/dbraw/zinc/16/45/31/939164531.db2.gz	IKOYYCZFPMVQAI-UHFFFAOYSA-N	-1	3	355.312	3.908	20	10		FHCDHM
C[C@@H](NCc1csc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000756409320	942780331	/nfs/dbraw/zinc/78/03/31/942780331.db2.gz	YJZMQAMFRQYVLP-MRVPVSSYSA-N	-1	3	357.229	3.975	20	10		FHCDHM
COc1ccccc1-c1noc([C@H](C)NCc2cc(Cl)ccc2[O-])n1	ZINC000364310459	944285491	/nfs/dbraw/zinc/28/54/91/944285491.db2.gz	UPPUPMBMBPMZCZ-NSHDSACASA-N	-1	3	359.813	3.955	20	10		FHCDHM
Cc1cc(O[C@H]2CCN(C)C2=O)ccc1N[C@@H](C)c1ccc(F)cc1[O-]	ZINC000281709686	945811783	/nfs/dbraw/zinc/81/17/83/945811783.db2.gz	TYTDTUCXUAZMQZ-DJJJIMSYSA-N	-1	3	358.413	3.622	20	10		FHCDHM
C[C@@H](c1cc(Cl)c(Cl)cc1[O-])N1CCc2sc(CN)nc2C1	ZINC000925750426	947164564	/nfs/dbraw/zinc/16/45/64/947164564.db2.gz	FISJRIGHVFQZJF-QMMMGPOBSA-N	-1	3	358.294	3.734	20	10		FHCDHM
CCC[C@@H](CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736425647	598611415	/nfs/dbraw/zinc/61/14/15/598611415.db2.gz	WGJUKJKDOWLVFU-MRXNPFEDSA-N	-1	3	366.469	3.583	20	10		FHCDHM
Clc1ccc(-c2nnn[n-]2)c(NCCCSc2nccs2)c1	ZINC000826351274	607521695	/nfs/dbraw/zinc/52/16/95/607521695.db2.gz	GBZULBWYNHFDKW-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
Clc1ccc(-c2nn[n-]n2)c(NCCCSc2nccs2)c1	ZINC000826351274	607521697	/nfs/dbraw/zinc/52/16/97/607521697.db2.gz	GBZULBWYNHFDKW-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
O=C([O-])N[C@@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21	ZINC000834159352	605792889	/nfs/dbraw/zinc/79/28/89/605792889.db2.gz	SQJVUIZBNRXFER-VQTJNVASSA-N	-1	3	351.450	3.830	20	10		FHCDHM
CC(C)(C)c1cnc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1	ZINC000819965993	607118466	/nfs/dbraw/zinc/11/84/66/607118466.db2.gz	RKFAJUPQPWXZTR-UHFFFAOYSA-N	-1	3	362.440	3.680	20	10		FHCDHM
CC(C)(C)c1cnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1	ZINC000819965993	607118468	/nfs/dbraw/zinc/11/84/68/607118468.db2.gz	RKFAJUPQPWXZTR-UHFFFAOYSA-N	-1	3	362.440	3.680	20	10		FHCDHM
CC(C)N1CCN(c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)CC1	ZINC000121138037	930082880	/nfs/dbraw/zinc/08/28/80/930082880.db2.gz	PAQJPMJRKDKUGZ-UHFFFAOYSA-N	-1	3	373.884	3.828	20	10		FHCDHM
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-]	ZINC000091958140	931295249	/nfs/dbraw/zinc/29/52/49/931295249.db2.gz	SOXKJNPGRKCTFM-UKRRQHHQSA-N	-1	3	366.801	3.635	20	10		FHCDHM
COc1ccc(N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1Cl	ZINC000121922262	936094830	/nfs/dbraw/zinc/09/48/30/936094830.db2.gz	GMUFHRQOGPANKW-UHFFFAOYSA-N	-1	3	369.808	3.968	20	10		FHCDHM
CCCc1cc(=O)[n-]c(C(=Cc2ccc(N3CCOCC3)cc2)CC)n1	ZINC000588611124	938936394	/nfs/dbraw/zinc/93/63/94/938936394.db2.gz	FOOCBUPMPVCYKP-SAPNQHFASA-N	-1	3	353.466	3.510	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c([O-])c1O	ZINC000780910497	942397538	/nfs/dbraw/zinc/39/75/38/942397538.db2.gz	ADTLDLHUCMISPW-UHFFFAOYSA-N	-1	3	352.268	3.819	20	10		FHCDHM
Cc1ccc([C@@H](NCc2cccc(Cl)c2[O-])[C@H](C)S(C)(=O)=O)cc1	ZINC000280789898	945504364	/nfs/dbraw/zinc/50/43/64/945504364.db2.gz	QWGMJYVVWZJFNQ-GUYCJALGSA-N	-1	3	367.898	3.618	20	10		FHCDHM
C[C@@H](NCc1ccncc1OCC(F)(F)F)c1ccc(F)c(F)c1[O-]	ZINC000281565772	945763077	/nfs/dbraw/zinc/76/30/77/945763077.db2.gz	KDGRHZPJFNNCFY-SECBINFHSA-N	-1	3	362.298	3.857	20	10		FHCDHM
COc1c([O-])c(CNc2cc(NC(=O)C(C)C)ccc2C)ccc1[N+](=O)[O-]	ZINC000278941391	948320838	/nfs/dbraw/zinc/32/08/38/948320838.db2.gz	XTWJWFDLJKNONJ-UHFFFAOYSA-N	-1	3	373.409	3.824	20	10		FHCDHM
CCC(C)(C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736314888	599389316	/nfs/dbraw/zinc/38/93/16/599389316.db2.gz	OVETXFKIGVCQTD-UHFFFAOYSA-N	-1	3	366.469	3.535	20	10		FHCDHM
COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1C	ZINC000738008102	600433285	/nfs/dbraw/zinc/43/32/85/600433285.db2.gz	CEXIUGZFVSDMDI-MRXNPFEDSA-N	-1	3	364.239	3.682	20	10		FHCDHM
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000829497077	604770090	/nfs/dbraw/zinc/77/00/90/604770090.db2.gz	WDGSPKAEEPEBBM-AWEZNQCLSA-N	-1	3	358.438	3.519	20	10		FHCDHM
CCCN(Cc1ccccc1O)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000829497083	604770421	/nfs/dbraw/zinc/77/04/21/604770421.db2.gz	WDGSPKAEEPEBBM-CQSZACIVSA-N	-1	3	358.438	3.519	20	10		FHCDHM
CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)ccc1[O-]	ZINC000160246699	928292433	/nfs/dbraw/zinc/29/24/33/928292433.db2.gz	MGHNYGZUANDGKW-UHFFFAOYSA-N	-1	3	354.784	3.784	20	10		FHCDHM
Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c([O-])c1O	ZINC000177666970	940348404	/nfs/dbraw/zinc/34/84/04/940348404.db2.gz	NTRJDESGGOMRKT-UHFFFAOYSA-N	-1	3	368.414	3.972	20	10		FHCDHM
Cc1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)c([O-])c1O	ZINC000177673376	940353286	/nfs/dbraw/zinc/35/32/86/940353286.db2.gz	PVWZERJHNWTPTM-UHFFFAOYSA-N	-1	3	350.374	3.633	20	10		FHCDHM
[O-]c1c(Cl)cccc1CN[C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000280175535	942125951	/nfs/dbraw/zinc/12/59/51/942125951.db2.gz	GHIGSWDAWSXNQF-ZDUSSCGKSA-N	-1	3	361.747	3.767	20	10		FHCDHM
CCOCCOCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C	ZINC000272553861	943176422	/nfs/dbraw/zinc/17/64/22/943176422.db2.gz	BICKZKRLIMXKAW-UHFFFAOYSA-N	-1	3	359.422	3.520	20	10		FHCDHM
Clc1cccc(-c2nnn[n-]2)c1NCCCSc1nccs1	ZINC000826352728	607520440	/nfs/dbraw/zinc/52/04/40/607520440.db2.gz	LVYXZWFDUDHJNP-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
Clc1cccc(-c2nn[n-]n2)c1NCCCSc1nccs1	ZINC000826352728	607520441	/nfs/dbraw/zinc/52/04/41/607520441.db2.gz	LVYXZWFDUDHJNP-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
Cc1cc(O)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1C	ZINC000826271754	609493306	/nfs/dbraw/zinc/49/33/06/609493306.db2.gz	FYMOWSLJCNHWTJ-UHFFFAOYSA-N	-1	3	353.426	3.588	20	10		FHCDHM
Cc1cc(O)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1C	ZINC000826271754	609493309	/nfs/dbraw/zinc/49/33/09/609493309.db2.gz	FYMOWSLJCNHWTJ-UHFFFAOYSA-N	-1	3	353.426	3.588	20	10		FHCDHM
Cc1[nH]c([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])nc1-c1ccccc1	ZINC000376558278	941146948	/nfs/dbraw/zinc/14/69/48/941146948.db2.gz	XEZGUDHJWZAACN-MRXNPFEDSA-N	-1	3	363.417	3.774	20	10		FHCDHM
Cn1cc([C@H](NCc2cccc(F)c2[O-])c2ccc(F)c(Cl)c2)cn1	ZINC000376896189	941461846	/nfs/dbraw/zinc/46/18/46/941461846.db2.gz	MVURREHXFZGISW-QGZVFWFLSA-N	-1	3	363.795	3.937	20	10		FHCDHM
COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(C)c(N3CCOC3=O)c2)c1	ZINC000273405987	942949789	/nfs/dbraw/zinc/94/97/89/942949789.db2.gz	HCMYZWYHVMAPJR-ZDUSSCGKSA-N	-1	3	370.405	3.617	20	10		FHCDHM
CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000273421238	942953026	/nfs/dbraw/zinc/95/30/26/942953026.db2.gz	SFFRPYSIYYZXJB-KBPBESRZSA-N	-1	3	371.437	3.680	20	10		FHCDHM
Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1NC(=O)c1ccco1	ZINC000192989299	944435593	/nfs/dbraw/zinc/43/55/93/944435593.db2.gz	DRHWJQRTNCHYLS-UHFFFAOYSA-N	-1	3	352.346	3.504	20	10		FHCDHM
CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000825435149	947188741	/nfs/dbraw/zinc/18/87/41/947188741.db2.gz	NKAWKNGKIHXUHD-LBPRGKRZSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1	ZINC000825435149	947188748	/nfs/dbraw/zinc/18/87/48/947188748.db2.gz	NKAWKNGKIHXUHD-LBPRGKRZSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000825435149	947188754	/nfs/dbraw/zinc/18/87/54/947188754.db2.gz	NKAWKNGKIHXUHD-LBPRGKRZSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1	ZINC000825435149	947188760	/nfs/dbraw/zinc/18/87/60/947188760.db2.gz	NKAWKNGKIHXUHD-LBPRGKRZSA-N	-1	3	357.845	3.809	20	10		FHCDHM
CN(c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1)C1CCCCC1	ZINC000826004126	947401616	/nfs/dbraw/zinc/40/16/16/947401616.db2.gz	JWKKWGHRXRZCPO-UHFFFAOYSA-N	-1	3	363.469	3.643	20	10		FHCDHM
CN(c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1)C1CCCCC1	ZINC000826004126	947401620	/nfs/dbraw/zinc/40/16/20/947401620.db2.gz	JWKKWGHRXRZCPO-UHFFFAOYSA-N	-1	3	363.469	3.643	20	10		FHCDHM
CC1CCN(c2ccc(CNc3cccc(F)c3-c3nnn[n-]3)cc2)CC1	ZINC000736281246	598503256	/nfs/dbraw/zinc/50/32/56/598503256.db2.gz	UGRFOJGDDKCWCW-UHFFFAOYSA-N	-1	3	366.444	3.854	20	10		FHCDHM
CC1CCN(c2ccc(CNc3cccc(F)c3-c3nn[n-]n3)cc2)CC1	ZINC000736281246	598503257	/nfs/dbraw/zinc/50/32/57/598503257.db2.gz	UGRFOJGDDKCWCW-UHFFFAOYSA-N	-1	3	366.444	3.854	20	10		FHCDHM
CCC[C@H](CC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736425646	598611419	/nfs/dbraw/zinc/61/14/19/598611419.db2.gz	WGJUKJKDOWLVFU-INIZCTEOSA-N	-1	3	366.469	3.583	20	10		FHCDHM
O=C([O-])COc1cccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])c1	ZINC000739833327	600640231	/nfs/dbraw/zinc/64/02/31/600640231.db2.gz	PXIOZTYBYFHIPF-UHFFFAOYSA-N	-1	3	363.413	3.812	20	10		FHCDHM
O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1	ZINC000833169821	601975801	/nfs/dbraw/zinc/97/58/01/601975801.db2.gz	LDRHWKQWYRQYJU-INIZCTEOSA-N	-1	3	352.217	3.844	20	10		FHCDHM
C[S@](=O)C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1	ZINC000154701014	929213144	/nfs/dbraw/zinc/21/31/44/929213144.db2.gz	GBWVKQHVTIRTKR-OYHNWAKOSA-N	-1	3	358.290	3.908	20	10		FHCDHM
CC[C@H](Nc1cccc2c1CCN2C(=O)COC)c1ccc(F)cc1[O-]	ZINC000375887463	940021205	/nfs/dbraw/zinc/02/12/05/940021205.db2.gz	JEAZLLDDQBFNNX-INIZCTEOSA-N	-1	3	358.413	3.630	20	10		FHCDHM
COCCOc1ncccc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000273395000	942947929	/nfs/dbraw/zinc/94/79/29/942947929.db2.gz	LSVSJWSIAOWQAI-NSHDSACASA-N	-1	3	371.264	3.970	20	10		FHCDHM
COc1c([O-])c(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[N+](=O)[O-]	ZINC000278826913	943008968	/nfs/dbraw/zinc/00/89/68/943008968.db2.gz	IEQCNHNFXQZMPU-INIZCTEOSA-N	-1	3	370.409	3.672	20	10		FHCDHM
CCCCOCCOCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1	ZINC000780917436	943279404	/nfs/dbraw/zinc/27/94/04/943279404.db2.gz	IBKMWSCVOOGNPE-UHFFFAOYSA-N	-1	3	373.449	3.992	20	10		FHCDHM
[O-]c1c(F)cc(F)cc1CN1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000894423015	945622397	/nfs/dbraw/zinc/62/23/97/945622397.db2.gz	OEAGNAVTDQFLRI-UHFFFAOYSA-N	-1	3	361.314	3.723	20	10		FHCDHM
[O-]c1c(Cl)cc(Cl)cc1CN1CCC(OC2CCOCC2)CC1	ZINC000093140621	945684449	/nfs/dbraw/zinc/68/44/49/945684449.db2.gz	IQIPRAOSGNEQGR-UHFFFAOYSA-N	-1	3	360.281	3.859	20	10		FHCDHM
COc1ccc2[nH]cc(C3=CCN(c4ccc(-c5nn[n-]n5)cc4)CC3)c2c1	ZINC000737115386	598653591	/nfs/dbraw/zinc/65/35/91/598653591.db2.gz	PGDHKTYGSKJDFN-UHFFFAOYSA-N	-1	3	372.432	3.650	20	10		FHCDHM
O=C([O-])[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000739582034	600715396	/nfs/dbraw/zinc/71/53/96/600715396.db2.gz	CKRBXWFYJDQHPW-LBPRGKRZSA-N	-1	3	364.239	3.605	20	10		FHCDHM
O=C([O-])[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000739582034	600715398	/nfs/dbraw/zinc/71/53/98/600715398.db2.gz	CKRBXWFYJDQHPW-LBPRGKRZSA-N	-1	3	364.239	3.605	20	10		FHCDHM
O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](c3cccs3)C2)c1O	ZINC000833309020	602124830	/nfs/dbraw/zinc/12/48/30/602124830.db2.gz	ZLOSJLPGLHTYEK-QGZVFWFLSA-N	-1	3	369.442	3.879	20	10		FHCDHM
Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000822649981	606208088	/nfs/dbraw/zinc/20/80/88/606208088.db2.gz	OGOFDWFSSBTSCX-UHFFFAOYSA-N	-1	3	372.392	3.873	20	10		FHCDHM
Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000822649981	606208089	/nfs/dbraw/zinc/20/80/89/606208089.db2.gz	OGOFDWFSSBTSCX-UHFFFAOYSA-N	-1	3	372.392	3.873	20	10		FHCDHM
CCNC(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1C	ZINC000278792336	940008566	/nfs/dbraw/zinc/00/85/66/940008566.db2.gz	MHCGENSONMEVEC-ZDUSSCGKSA-N	-1	3	371.437	3.802	20	10		FHCDHM
COc1ccc(N[C@@H](C)c2ccc(C)c(C)c2O)cc1[N-]S(C)(=O)=O	ZINC000273479559	942966688	/nfs/dbraw/zinc/96/66/88/942966688.db2.gz	UBWVSKUBIBIHLE-ZDUSSCGKSA-N	-1	3	364.467	3.562	20	10		FHCDHM
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1[O-]	ZINC000273511721	942975045	/nfs/dbraw/zinc/97/50/45/942975045.db2.gz	RVQSEKOZLPXGRM-YMTOWFKASA-N	-1	3	372.209	3.817	20	10		FHCDHM
CC(=O)c1cc(Cl)cc(CN[C@H](c2cnn(C)c2)c2ccccc2)c1[O-]	ZINC000378649355	943005252	/nfs/dbraw/zinc/00/52/52/943005252.db2.gz	MUBKMCNEGVDPLM-IBGZPJMESA-N	-1	3	369.852	3.861	20	10		FHCDHM
[O-]c1c(F)cc(F)cc1CN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	ZINC000894780966	944604783	/nfs/dbraw/zinc/60/47/83/944604783.db2.gz	BMALANAHSSJGRQ-SWLSCSKDSA-N	-1	3	351.418	3.671	20	10		FHCDHM
Cc1ccc([C@@H](NCc2cccc(Cl)c2[O-])[C@@H](C)S(C)(=O)=O)cc1	ZINC000280789893	945503860	/nfs/dbraw/zinc/50/38/60/945503860.db2.gz	QWGMJYVVWZJFNQ-DYVFJYSZSA-N	-1	3	367.898	3.618	20	10		FHCDHM
O=C([O-])Nc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1	ZINC000834268989	605607079	/nfs/dbraw/zinc/60/70/79/605607079.db2.gz	OHKVRZKRJIWLMR-SFHVURJKSA-N	-1	3	356.422	3.663	20	10		FHCDHM
O=C([O-])Nc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1	ZINC000834268989	605607086	/nfs/dbraw/zinc/60/70/86/605607086.db2.gz	OHKVRZKRJIWLMR-SFHVURJKSA-N	-1	3	356.422	3.663	20	10		FHCDHM
CCOC(=O)CCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1	ZINC000749552664	936331612	/nfs/dbraw/zinc/33/16/12/936331612.db2.gz	WHKZZPSSTFYXGT-UHFFFAOYSA-N	-1	3	367.873	3.804	20	10		FHCDHM
COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1	ZINC000273357895	942939199	/nfs/dbraw/zinc/93/91/99/942939199.db2.gz	DBWZQECDWVJZEY-GFCCVEGCSA-N	-1	3	354.406	3.700	20	10		FHCDHM
C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1[O-]	ZINC000273546523	942982590	/nfs/dbraw/zinc/98/25/90/942982590.db2.gz	ZKGIMWFCZOEOGS-XPTSAGLGSA-N	-1	3	372.209	3.817	20	10		FHCDHM
COc1c([O-])c(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[N+](=O)[O-]	ZINC000278826919	943017195	/nfs/dbraw/zinc/01/71/95/943017195.db2.gz	IEQCNHNFXQZMPU-MRXNPFEDSA-N	-1	3	370.409	3.672	20	10		FHCDHM
Cn1ccnc1[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1	ZINC000894779281	944594322	/nfs/dbraw/zinc/59/43/22/944594322.db2.gz	FMDJOOLQUDFLPQ-JTQLQIEISA-N	-1	3	370.678	3.531	20	10		FHCDHM
Cc1ccc(C(=O)N2CCC(c3cccc4cnccc43)CC2)c([O-])c1O	ZINC000365350991	568550068	/nfs/dbraw/zinc/55/00/68/568550068.db2.gz	UZUQFBZMSPTPJV-UHFFFAOYSA-N	-1	3	362.429	3.974	20	10		FHCDHM
CCC[C@@H](C)N(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C	ZINC000736422337	598610263	/nfs/dbraw/zinc/61/02/63/598610263.db2.gz	HKEANTYHTKPKJP-CYBMUJFWSA-N	-1	3	366.469	3.535	20	10		FHCDHM
CC1CCN(c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)CC1	ZINC000820728503	599543555	/nfs/dbraw/zinc/54/35/55/599543555.db2.gz	WVMOIRWPTJTKIJ-UHFFFAOYSA-N	-1	3	366.444	3.854	20	10		FHCDHM
CC1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cc2)CC1	ZINC000820728503	599543557	/nfs/dbraw/zinc/54/35/57/599543557.db2.gz	WVMOIRWPTJTKIJ-UHFFFAOYSA-N	-1	3	366.444	3.854	20	10		FHCDHM
C[C@]1(C(=O)[O-])CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000828028925	601890359	/nfs/dbraw/zinc/89/03/59/601890359.db2.gz	IIZGDEJZZYZIOV-KRWDZBQOSA-N	-1	3	364.239	3.605	20	10		FHCDHM
C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1	ZINC000828028925	601890361	/nfs/dbraw/zinc/89/03/61/601890361.db2.gz	IIZGDEJZZYZIOV-KRWDZBQOSA-N	-1	3	364.239	3.605	20	10		FHCDHM
O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(Cl)o1	ZINC000134265040	930854761	/nfs/dbraw/zinc/85/47/61/930854761.db2.gz	AYLGHNBMCVVNIZ-CYBMUJFWSA-N	-1	3	369.248	3.686	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c([O-])c1O	ZINC000179486222	939173851	/nfs/dbraw/zinc/17/38/51/939173851.db2.gz	POAOHNDNZIPRPN-CQSZACIVSA-N	-1	3	366.417	3.953	20	10		FHCDHM
CC(=O)c1cc(F)cc(CN(C)Cc2ccc(Br)o2)c1[O-]	ZINC000177255214	940056330	/nfs/dbraw/zinc/05/63/30/940056330.db2.gz	WGABDHBNQOIVQF-UHFFFAOYSA-N	-1	3	356.191	3.721	20	10		FHCDHM
CSc1nc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)n[n-]1	ZINC000729353099	941729715	/nfs/dbraw/zinc/72/97/15/941729715.db2.gz	YVPKCPHPLAWWQM-UHFFFAOYSA-N	-1	3	361.858	3.840	20	10		FHCDHM
[O-]c1ccc(Cl)cc1CN1CCCC[C@H]1c1nc(-c2ncccn2)no1	ZINC000378344709	942612897	/nfs/dbraw/zinc/61/28/97/942612897.db2.gz	BUJPDKWSTUNIKC-AWEZNQCLSA-N	-1	3	371.828	3.613	20	10		FHCDHM
COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1	ZINC000273459286	942961696	/nfs/dbraw/zinc/96/16/96/942961696.db2.gz	HTRJSFKUAPMLCY-HWPZZCPQSA-N	-1	3	352.337	3.617	20	10		FHCDHM
COCCc1nc2cc(N[C@H](C)c3cc(C(=O)OC)ccc3[O-])ccc2o1	ZINC000273533216	942979374	/nfs/dbraw/zinc/97/93/74/942979374.db2.gz	WTWHKZGGTBIWKL-GFCCVEGCSA-N	-1	3	370.405	3.682	20	10		FHCDHM
COc1c([O-])c(CN[C@@H](c2ccccn2)C2CCCC2)ccc1[N+](=O)[O-]	ZINC000365386414	568602092	/nfs/dbraw/zinc/60/20/92/568602092.db2.gz	QUWVJKNVWWBNHZ-QGZVFWFLSA-N	-1	3	357.410	3.725	20	10		FHCDHM
Cc1cc(-c2nc(C(C)(C)C)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737220655	598610172	/nfs/dbraw/zinc/61/01/72/598610172.db2.gz	DFPYHBYGQIDQQF-UHFFFAOYSA-N	-1	3	363.425	3.622	20	10		FHCDHM
Clc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cn1	ZINC000826351607	608295547	/nfs/dbraw/zinc/29/55/47/608295547.db2.gz	SPOFMXKVIQRHJD-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
Clc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cn1	ZINC000826351607	608295549	/nfs/dbraw/zinc/29/55/49/608295549.db2.gz	SPOFMXKVIQRHJD-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
Oc1ccccc1CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1	ZINC000826511198	609485068	/nfs/dbraw/zinc/48/50/68/609485068.db2.gz	GPCCALFKOAEZKV-UHFFFAOYSA-N	-1	3	373.416	3.763	20	10		FHCDHM
Oc1ccccc1CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1	ZINC000826511198	609485070	/nfs/dbraw/zinc/48/50/70/609485070.db2.gz	GPCCALFKOAEZKV-UHFFFAOYSA-N	-1	3	373.416	3.763	20	10		FHCDHM
COCCN1C(=O)CCc2cc(NCc3c([O-])cccc3Cl)ccc21	ZINC000275047693	929285050	/nfs/dbraw/zinc/28/50/50/929285050.db2.gz	JHZAYZLABGKORE-UHFFFAOYSA-N	-1	3	360.841	3.583	20	10		FHCDHM
COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1	ZINC000273459292	942961780	/nfs/dbraw/zinc/96/17/80/942961780.db2.gz	HTRJSFKUAPMLCY-QLJPJBMISA-N	-1	3	352.337	3.617	20	10		FHCDHM
CC(=O)c1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)c2ccccc2)c1[O-]	ZINC000378649357	943004805	/nfs/dbraw/zinc/00/48/05/943004805.db2.gz	MUBKMCNEGVDPLM-LJQANCHMSA-N	-1	3	369.852	3.861	20	10		FHCDHM
COCCN(Cc1ccco1)Cc1cc(C)cc(Br)c1[O-]	ZINC000781898560	943921112	/nfs/dbraw/zinc/92/11/12/943921112.db2.gz	ZNCXIKQQPRZILY-UHFFFAOYSA-N	-1	3	354.244	3.705	20	10		FHCDHM
[O-]c1ccc(F)cc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1	ZINC000365174313	947110763	/nfs/dbraw/zinc/11/07/63/947110763.db2.gz	BQXISQHRSYYVMF-MRXNPFEDSA-N	-1	3	361.417	3.536	20	10		FHCDHM
CCCC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C	ZINC000278912549	948090038	/nfs/dbraw/zinc/09/00/38/948090038.db2.gz	SRZJJOWWMUBESH-UHFFFAOYSA-N	-1	3	373.409	3.968	20	10		FHCDHM
O=C([O-])C1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1	ZINC000740482185	596915152	/nfs/dbraw/zinc/91/51/52/596915152.db2.gz	POMRFVWQTTVLHR-UHFFFAOYSA-N	-1	3	364.239	3.605	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1	ZINC000736780565	598274941	/nfs/dbraw/zinc/27/49/41/598274941.db2.gz	RCUCGCRVLCIZOV-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1	ZINC000736780565	598274942	/nfs/dbraw/zinc/27/49/42/598274942.db2.gz	RCUCGCRVLCIZOV-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
Cc1cc(C(=O)Nc2ccsc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737238782	599386828	/nfs/dbraw/zinc/38/68/28/599386828.db2.gz	TVWFMFDSUXYVOH-UHFFFAOYSA-N	-1	3	364.434	3.588	20	10		FHCDHM
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1-c1nnn[n-]1	ZINC000821611300	599467230	/nfs/dbraw/zinc/46/72/30/599467230.db2.gz	ZSPXPBQOMGJITL-UHFFFAOYSA-N	-1	3	366.444	3.633	20	10		FHCDHM
CN(Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1-c1nn[n-]n1	ZINC000821611300	599467231	/nfs/dbraw/zinc/46/72/31/599467231.db2.gz	ZSPXPBQOMGJITL-UHFFFAOYSA-N	-1	3	366.444	3.633	20	10		FHCDHM
Cc1cc([C@H]2CCCN2Cc2c(O)c(C(=O)[O-])cc3ccccc32)no1	ZINC000832881203	601299932	/nfs/dbraw/zinc/29/99/32/601299932.db2.gz	LGDURGMXIBDQIZ-GOSISDBHSA-N	-1	3	352.390	3.877	20	10		FHCDHM
Clc1cc(NCCCSc2nccs2)ccc1-c1nnn[n-]1	ZINC000826350798	607521430	/nfs/dbraw/zinc/52/14/30/607521430.db2.gz	LRWFUTDCFIOLMA-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
Clc1cc(NCCCSc2nccs2)ccc1-c1nn[n-]n1	ZINC000826350798	607521431	/nfs/dbraw/zinc/52/14/31/607521431.db2.gz	LRWFUTDCFIOLMA-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(Br)c3ncccc23)c([O-])c1O	ZINC001167053411	927493621	/nfs/dbraw/zinc/49/36/21/927493621.db2.gz	RXNLISBYFBYFJT-UHFFFAOYSA-N	-1	3	373.206	3.969	20	10		FHCDHM
O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc(O)c1[O-]	ZINC000274934416	929064846	/nfs/dbraw/zinc/06/48/46/929064846.db2.gz	CJCUJXVYTVWMQU-UHFFFAOYSA-N	-1	3	369.421	3.758	20	10		FHCDHM
COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(C)c(N3CCOC3=O)c2)c1	ZINC000273405985	942949487	/nfs/dbraw/zinc/94/94/87/942949487.db2.gz	HCMYZWYHVMAPJR-CYBMUJFWSA-N	-1	3	370.405	3.617	20	10		FHCDHM
C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1[O-]	ZINC000273511715	942975396	/nfs/dbraw/zinc/97/53/96/942975396.db2.gz	RVQSEKOZLPXGRM-OTYXRUKQSA-N	-1	3	372.209	3.817	20	10		FHCDHM
C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1[O-]	ZINC000273546515	942982611	/nfs/dbraw/zinc/98/26/11/942982611.db2.gz	ZKGIMWFCZOEOGS-LKFCYVNXSA-N	-1	3	372.209	3.817	20	10		FHCDHM
C[C@H](NCc1ccncc1OCC(F)(F)F)c1ccc(F)c(F)c1[O-]	ZINC000281565775	945763011	/nfs/dbraw/zinc/76/30/11/945763011.db2.gz	KDGRHZPJFNNCFY-VIFPVBQESA-N	-1	3	362.298	3.857	20	10		FHCDHM
Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1	ZINC000737238610	598609639	/nfs/dbraw/zinc/60/96/39/598609639.db2.gz	QFHNBWOOGBOFOI-UHFFFAOYSA-N	-1	3	358.405	3.527	20	10		FHCDHM
CN(Cc1ccc(N2CCCCC2)cc1)c1cccc(F)c1-c1nnn[n-]1	ZINC000821610686	599319871	/nfs/dbraw/zinc/31/98/71/599319871.db2.gz	AHEDJIGKRZBHIO-UHFFFAOYSA-N	-1	3	366.444	3.633	20	10		FHCDHM
CN(Cc1ccc(N2CCCCC2)cc1)c1cccc(F)c1-c1nn[n-]n1	ZINC000821610686	599319874	/nfs/dbraw/zinc/31/98/74/599319874.db2.gz	AHEDJIGKRZBHIO-UHFFFAOYSA-N	-1	3	366.444	3.633	20	10		FHCDHM
O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccccc21	ZINC000739795597	599854304	/nfs/dbraw/zinc/85/43/04/599854304.db2.gz	OCGPQBLNOSSXHP-UHFFFAOYSA-N	-1	3	357.356	3.910	20	10		FHCDHM
O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccccc21	ZINC000739795597	599854305	/nfs/dbraw/zinc/85/43/05/599854305.db2.gz	OCGPQBLNOSSXHP-UHFFFAOYSA-N	-1	3	357.356	3.910	20	10		FHCDHM
[O-]c1cc(Cl)ccc1CN1CCc2nc(Br)sc2C1	ZINC001140466678	933081021	/nfs/dbraw/zinc/08/10/21/933081021.db2.gz	KVLSXWVFDWVSDV-UHFFFAOYSA-N	-1	3	359.676	3.823	20	10		FHCDHM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Br)c1C	ZINC000176711256	935887431	/nfs/dbraw/zinc/88/74/31/935887431.db2.gz	WVKGWQPQMWZOLY-UHFFFAOYSA-N	-1	3	356.241	3.572	20	10		FHCDHM
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cc(F)ccc1F	ZINC000278474220	938462156	/nfs/dbraw/zinc/46/21/56/938462156.db2.gz	IBMNVXDSDHJTPN-AWEZNQCLSA-N	-1	3	352.337	3.828	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)c([O-])c1O	ZINC000179498426	939175063	/nfs/dbraw/zinc/17/50/63/939175063.db2.gz	AFWUNCYMJOLXAI-UHFFFAOYSA-N	-1	3	359.275	3.739	20	10		FHCDHM
CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21	ZINC000180795236	941079357	/nfs/dbraw/zinc/07/93/57/941079357.db2.gz	LTVWWSLKKIOQFO-CQSZACIVSA-N	-1	3	372.273	3.659	20	10		FHCDHM
COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)c(F)c1	ZINC000273459288	942961940	/nfs/dbraw/zinc/96/19/40/942961940.db2.gz	HTRJSFKUAPMLCY-MGPLVRAMSA-N	-1	3	352.337	3.617	20	10		FHCDHM
COC(=O)CN(Cc1ccc2ncccc2c1)Cc1cc(Cl)ccc1[O-]	ZINC000123216444	944305015	/nfs/dbraw/zinc/30/50/15/944305015.db2.gz	JLBWDFVBEBZSKA-UHFFFAOYSA-N	-1	3	370.836	3.769	20	10		FHCDHM
CCCc1cc(=O)[n-]c(C(=Cc2ccc(N3CCOCC3)cc2)CC)n1	ZINC000193617959	944534455	/nfs/dbraw/zinc/53/44/55/944534455.db2.gz	FOOCBUPMPVCYKP-VKAVYKQESA-N	-1	3	353.466	3.510	20	10		FHCDHM
O=C(Nc1cccc2cc(Br)cnc21)c1cccc(O)c1[O-]	ZINC000318719391	948660243	/nfs/dbraw/zinc/66/02/43/948660243.db2.gz	DZEFSFZPSNTGCL-UHFFFAOYSA-N	-1	3	359.179	3.661	20	10		FHCDHM
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)cn1	ZINC000738171488	598435676	/nfs/dbraw/zinc/43/56/76/598435676.db2.gz	ACBIIFZOEVJGEB-UHFFFAOYSA-N	-1	3	370.376	3.929	20	10		FHCDHM
O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)cn1	ZINC000738171488	598435678	/nfs/dbraw/zinc/43/56/78/598435678.db2.gz	ACBIIFZOEVJGEB-UHFFFAOYSA-N	-1	3	370.376	3.929	20	10		FHCDHM
Clc1ccc(NCCCSc2nccs2)c(-c2nnn[n-]2)c1	ZINC000826352811	607520103	/nfs/dbraw/zinc/52/01/03/607520103.db2.gz	OZGOAJYETRBKQO-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
Clc1ccc(NCCCSc2nccs2)c(-c2nn[n-]n2)c1	ZINC000826352811	607520104	/nfs/dbraw/zinc/52/01/04/607520104.db2.gz	OZGOAJYETRBKQO-UHFFFAOYSA-N	-1	3	352.876	3.571	20	10		FHCDHM
CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cc1	ZINC000821589445	607226295	/nfs/dbraw/zinc/22/62/95/607226295.db2.gz	NSSMHEUDHPPZOK-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cc1	ZINC000821589445	607226296	/nfs/dbraw/zinc/22/62/96/607226296.db2.gz	NSSMHEUDHPPZOK-UHFFFAOYSA-N	-1	3	362.359	3.564	20	10		FHCDHM
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cc(F)ccc1F	ZINC000278474223	938462196	/nfs/dbraw/zinc/46/21/96/938462196.db2.gz	IBMNVXDSDHJTPN-CQSZACIVSA-N	-1	3	352.337	3.828	20	10		FHCDHM
CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000273421250	942953340	/nfs/dbraw/zinc/95/33/40/942953340.db2.gz	SFFRPYSIYYZXJB-ZIAGYGMSSA-N	-1	3	371.437	3.680	20	10		FHCDHM
C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1[O-]	ZINC000273546526	942982957	/nfs/dbraw/zinc/98/29/57/942982957.db2.gz	ZKGIMWFCZOEOGS-YMTOWFKASA-N	-1	3	372.209	3.817	20	10		FHCDHM
COC(=O)CN(CC[C@H]1CCCC1(F)F)Cc1cc(Cl)ccc1[O-]	ZINC001167742398	943415285	/nfs/dbraw/zinc/41/52/85/943415285.db2.gz	ZSAAAKPOGOGKLB-CYBMUJFWSA-N	-1	3	361.816	3.846	20	10		FHCDHM
CCOC(=O)c1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])s1	ZINC000894515707	945868041	/nfs/dbraw/zinc/86/80/41/945868041.db2.gz	YQLWQTLWLIURLM-UHFFFAOYSA-N	-1	3	361.250	3.622	20	10		FHCDHM
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000829497021	600851375	/nfs/dbraw/zinc/85/13/75/600851375.db2.gz	VDOWGZUHFUEJEY-HNNXBMFYSA-N	-1	3	370.449	3.638	20	10		FHCDHM
O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)c2ccccc21	ZINC000834159354	605792746	/nfs/dbraw/zinc/79/27/46/605792746.db2.gz	SQJVUIZBNRXFER-WOJBJXKFSA-N	-1	3	351.450	3.830	20	10		FHCDHM
Clc1ccc(-c2nnn[n-]2)c(N2CC=C(c3ccc(Cl)nc3)CC2)c1	ZINC000826351564	608295665	/nfs/dbraw/zinc/29/56/65/608295665.db2.gz	RGOZNDDEFBQHDP-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
Clc1ccc(-c2nn[n-]n2)c(N2CC=C(c3ccc(Cl)nc3)CC2)c1	ZINC000826351564	608295667	/nfs/dbraw/zinc/29/56/67/608295667.db2.gz	RGOZNDDEFBQHDP-UHFFFAOYSA-N	-1	3	373.247	3.862	20	10		FHCDHM
Cn1c(-c2ccccc2)cnc1SCc1cccc(-c2nnn[n-]2)c1F	ZINC000826354507	608669442	/nfs/dbraw/zinc/66/94/42/608669442.db2.gz	HXQDMRLTLDCQPX-UHFFFAOYSA-N	-1	3	366.425	3.699	20	10		FHCDHM
Cn1c(-c2ccccc2)cnc1SCc1cccc(-c2nn[n-]n2)c1F	ZINC000826354507	608669443	/nfs/dbraw/zinc/66/94/43/608669443.db2.gz	HXQDMRLTLDCQPX-UHFFFAOYSA-N	-1	3	366.425	3.699	20	10		FHCDHM
COc1c([O-])c(CNc2ccc3cnn(C(C)C)c3c2)ccc1[N+](=O)[O-]	ZINC000278478729	938466249	/nfs/dbraw/zinc/46/62/49/938466249.db2.gz	IZXHSEILYBELCF-UHFFFAOYSA-N	-1	3	356.382	3.852	20	10		FHCDHM
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([O-])c1O	ZINC000177666769	940348123	/nfs/dbraw/zinc/34/81/23/940348123.db2.gz	QRBJJSWBHUBVDS-UHFFFAOYSA-N	-1	3	352.346	3.504	20	10		FHCDHM
Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c([O-])c1O	ZINC000182270021	942706082	/nfs/dbraw/zinc/70/60/82/942706082.db2.gz	CXPUZOREMGFPPK-UHFFFAOYSA-N	-1	3	352.346	3.504	20	10		FHCDHM
C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cc(Br)cc(F)c1[O-]	ZINC000363854836	942851577	/nfs/dbraw/zinc/85/15/77/942851577.db2.gz	AHXJDRWYHFARMT-SDBXPKJASA-N	-1	3	354.223	3.745	20	10		FHCDHM
COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(N3CCOC3=O)c2C)c1	ZINC000273404313	942949851	/nfs/dbraw/zinc/94/98/51/942949851.db2.gz	GYOOQTXJQNBRRY-CYBMUJFWSA-N	-1	3	370.405	3.617	20	10		FHCDHM
COc1cc(F)c([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC	ZINC000273464995	942964194	/nfs/dbraw/zinc/96/41/94/942964194.db2.gz	DNSTUUQFCNKRCB-GHMZBOCLSA-N	-1	3	364.373	3.869	20	10		FHCDHM
Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(N2CCCCC2)cc1	ZINC000737558591	598392793	/nfs/dbraw/zinc/39/27/93/598392793.db2.gz	OCQBCQDUEGVDSY-UHFFFAOYSA-N	-1	3	369.860	3.518	20	10		FHCDHM
Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(N2CCCCC2)cc1	ZINC000737558591	598392794	/nfs/dbraw/zinc/39/27/94/598392794.db2.gz	OCQBCQDUEGVDSY-UHFFFAOYSA-N	-1	3	369.860	3.518	20	10		FHCDHM
O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(Cl)o1	ZINC000134265015	930862411	/nfs/dbraw/zinc/86/24/11/930862411.db2.gz	AYLGHNBMCVVNIZ-ZDUSSCGKSA-N	-1	3	369.248	3.686	20	10		FHCDHM
C[C@@H](NCc1cn2ccccc2n1)c1cc(Br)c(F)cc1[O-]	ZINC000756363653	942301263	/nfs/dbraw/zinc/30/12/63/942301263.db2.gz	QCGHNAJHIPRBGM-SNVBAGLBSA-N	-1	3	364.218	3.792	20	10		FHCDHM
COc1cc(F)c([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC	ZINC000273465013	942963858	/nfs/dbraw/zinc/96/38/58/942963858.db2.gz	DNSTUUQFCNKRCB-WDEREUQCSA-N	-1	3	364.373	3.869	20	10		FHCDHM
COCCc1nc2cc(N[C@@H](C)c3cc(C(=O)OC)ccc3[O-])ccc2o1	ZINC000273533221	942979448	/nfs/dbraw/zinc/97/94/48/942979448.db2.gz	WTWHKZGGTBIWKL-LBPRGKRZSA-N	-1	3	370.405	3.682	20	10		FHCDHM
CN(C)c1ccc(CNCc2cccc([O-])c2Br)cc1F	ZINC000838917343	943863029	/nfs/dbraw/zinc/86/30/29/943863029.db2.gz	GZMMNKSMNAHAKY-UHFFFAOYSA-N	-1	3	353.235	3.650	20	10		FHCDHM
COc1c([O-])c(CNc2cc(NC(=O)C3CC3)ccc2C)ccc1[N+](=O)[O-]	ZINC000278950299	948328525	/nfs/dbraw/zinc/32/85/25/948328525.db2.gz	ZJIKDZFTDQUGFN-UHFFFAOYSA-N	-1	3	371.393	3.578	20	10		FHCDHM
Cc1[nH]c(C(=O)CN(Cc2ccccc2O)C2CCCC2)c(C)c1C(=O)[O-]	ZINC000738154451	600317997	/nfs/dbraw/zinc/31/79/97/600317997.db2.gz	UHJFZWBHVJUHJC-UHFFFAOYSA-N	-1	3	370.449	3.663	20	10		FHCDHM
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1	ZINC000822231752	606969709	/nfs/dbraw/zinc/96/97/09/606969709.db2.gz	GHHUCKGLWGRMBU-UHFFFAOYSA-N	-1	3	372.432	3.551	20	10		FHCDHM
Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1	ZINC000822231752	606969711	/nfs/dbraw/zinc/96/97/11/606969711.db2.gz	GHHUCKGLWGRMBU-UHFFFAOYSA-N	-1	3	372.432	3.551	20	10		FHCDHM
Cn1c(-c2ccccc2)cnc1SCc1ccc(F)c(-c2nnn[n-]2)c1	ZINC000822591547	607007639	/nfs/dbraw/zinc/00/76/39/607007639.db2.gz	UPMWBXXBSYUWQY-UHFFFAOYSA-N	-1	3	366.425	3.699	20	10		FHCDHM
Cn1c(-c2ccccc2)cnc1SCc1ccc(F)c(-c2nn[n-]n2)c1	ZINC000822591547	607007640	/nfs/dbraw/zinc/00/76/40/607007640.db2.gz	UPMWBXXBSYUWQY-UHFFFAOYSA-N	-1	3	366.425	3.699	20	10		FHCDHM