smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Br)c(C(=O)NNC(=O)c2cccc(C(=O)[O-])n2)c1	ZINC000737917780	978457867	/nfs/dbraw/zinc/45/78/67/978457867.db2.gz	NYJYHBBIKBUIDY-UHFFFAOYSA-N	-1	2	394.181	1.626	20	50		GDGDLM
O=C([O-])Nc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1	ZINC000740032653	978663709	/nfs/dbraw/zinc/66/37/09/978663709.db2.gz	DRXMGCYDVPYHAC-UHFFFAOYSA-N	-1	2	391.409	1.144	20	50		GDGDLM
COc1ccccc1-c1cc(C(=O)NNC(=O)c2cc(C(=O)[O-])ccn2)[nH]n1	ZINC001599694294	991123273	/nfs/dbraw/zinc/12/32/73/991123273.db2.gz	YFNDJVOQXAZSMZ-UHFFFAOYSA-N	-1	2	381.348	1.253	20	50		GDGDLM
COc1cc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc(OC)c1OC	ZINC000829087648	603222052	/nfs/dbraw/zinc/22/20/52/603222052.db2.gz	OSYGTANEAUSQCT-UHFFFAOYSA-N	-1	2	393.352	1.148	20	50		GDGDLM
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1C	ZINC000830521557	603228019	/nfs/dbraw/zinc/22/80/19/603228019.db2.gz	IXYKNUGXIUHVLI-LBPRGKRZSA-N	-1	2	375.381	1.893	20	50		GDGDLM
O=C([O-])N1CC[C@@H](CCNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)C1	ZINC000831666304	603774357	/nfs/dbraw/zinc/77/43/57/603774357.db2.gz	WMIWERUXIXKYFQ-LLVKDONJSA-N	-1	2	386.355	1.379	20	50		GDGDLM
O=C([O-])N1CCSC[C@@H]1CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000831414429	605602477	/nfs/dbraw/zinc/60/24/77/605602477.db2.gz	NWQUZQNNFICZPV-LBPRGKRZSA-N	-1	2	390.421	1.588	20	50		GDGDLM
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2n[n-]c3ccccc3c2=O)o1	ZINC000735940354	944725413	/nfs/dbraw/zinc/72/54/13/944725413.db2.gz	YXTIGIRZQPHLPW-UHFFFAOYSA-N	-1	2	381.356	1.384	20	50		GDGDLM
C[C@H]1C[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21	ZINC000820753262	945555400	/nfs/dbraw/zinc/55/54/00/945555400.db2.gz	XPHWUUKMXVIWOG-ZDUSSCGKSA-N	-1	2	391.435	1.247	20	50		GDGDLM
C=CCn1c(=O)c2ccc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2[nH]c1=S	ZINC000833380578	604799361	/nfs/dbraw/zinc/79/93/61/604799361.db2.gz	KGBVBYPPLUADCF-UHFFFAOYSA-N	-1	2	397.416	1.721	20	50		GDGDLM
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001589991734	988896935	/nfs/dbraw/zinc/89/69/35/988896935.db2.gz	KYKUSVRSBJCBIH-XOIDGJRKSA-N	-1	2	379.369	1.148	20	50		GDGDLM
COc1cc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)ccc1OC(C)C	ZINC000829087491	603231204	/nfs/dbraw/zinc/23/12/04/603231204.db2.gz	NKWSXSPWUYEFCY-UHFFFAOYSA-N	-1	2	391.380	1.918	20	50		GDGDLM
O=C([O-])N1CC[C@@](F)(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000831736875	603822181	/nfs/dbraw/zinc/82/21/81/603822181.db2.gz	WZHNRRTYZQRCEP-SFHVURJKSA-N	-1	2	391.355	1.712	20	50		GDGDLM
O=C([O-])N1CCC(CNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000831652567	603822476	/nfs/dbraw/zinc/82/24/76/603822476.db2.gz	BHMJDRCAFFNKJQ-UHFFFAOYSA-N	-1	2	386.355	1.379	20	50		GDGDLM
O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)nc1)c1c(Cl)cccc1Cl	ZINC000738137720	945247943	/nfs/dbraw/zinc/24/79/43/945247943.db2.gz	YWOBIZNNBWMUFH-UHFFFAOYSA-N	-1	2	378.179	1.643	20	50		GDGDLM
O=C([O-])NCCNC(=O)NNC(=O)c1csc(-c2ccc(F)c(F)c2)n1	ZINC000834243027	605757339	/nfs/dbraw/zinc/75/73/39/605757339.db2.gz	FMVMAKOIDJSZSQ-UHFFFAOYSA-N	-1	2	385.352	1.300	20	50		GDGDLM
Cn1nc(C(=O)[O-])cc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC001605538757	973729710	/nfs/dbraw/zinc/72/97/10/973729710.db2.gz	GBYGHZKZSUCYOQ-UHFFFAOYSA-N	-1	2	384.348	1.365	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1cnc(Cc2ccc(F)cc2)s1	ZINC000834230111	605975106	/nfs/dbraw/zinc/97/51/06/605975106.db2.gz	QVAYLSIQWZLNQV-UHFFFAOYSA-N	-1	2	380.401	1.682	20	50		GDGDLM
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001589991736	988897859	/nfs/dbraw/zinc/89/78/59/988897859.db2.gz	KYKUSVRSBJCBIH-ZRQQLDRUSA-N	-1	2	379.369	1.148	20	50		GDGDLM
O=C([O-])NCC1CCN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000832588493	603823135	/nfs/dbraw/zinc/82/31/35/603823135.db2.gz	BTDZMYXQSWGZHO-UHFFFAOYSA-N	-1	2	386.355	1.379	20	50		GDGDLM
CCn1c(=O)c2ccc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2[nH]c1=S	ZINC000833684173	604803877	/nfs/dbraw/zinc/80/38/77/604803877.db2.gz	RNPGTCKMKABRJQ-UHFFFAOYSA-N	-1	2	385.405	1.555	20	50		GDGDLM
O=C([O-])N1CCC(NC(=O)NNC(=O)c2cnc(-c3cccnc3)s2)CC1	ZINC000834047262	605636128	/nfs/dbraw/zinc/63/61/28/605636128.db2.gz	IXHQSMZAJASBOH-UHFFFAOYSA-N	-1	2	390.425	1.292	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1cnn2c1nccc2-c1ccccc1	ZINC000834229677	605973484	/nfs/dbraw/zinc/97/34/84/605973484.db2.gz	FGZYZBLHPYTPTL-UHFFFAOYSA-N	-1	2	382.380	1.205	20	50		GDGDLM
COc1ccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1F	ZINC000829474736	604033243	/nfs/dbraw/zinc/03/32/43/604033243.db2.gz	NMMZAFYPVXXJFS-UHFFFAOYSA-N	-1	2	382.373	1.826	20	50		GDGDLM
O=C([O-])NCCNC(=O)NNC(=O)c1csc(Cc2cccc(F)c2)n1	ZINC000834242834	605757500	/nfs/dbraw/zinc/75/75/00/605757500.db2.gz	AQTWIQARNIVRPW-UHFFFAOYSA-N	-1	2	381.389	1.085	20	50		GDGDLM
CCn1nc(C(=O)NNC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc2c1=O	ZINC001597927382	989874669	/nfs/dbraw/zinc/87/46/69/989874669.db2.gz	GZQWITOYTAAENW-NTMALXAHSA-N	-1	2	396.359	1.182	20	50		GDGDLM
O=C([O-])N1CCC(NC(=O)NNC(=O)c2cc(-c3ccccc3)ns2)CC1	ZINC000831742736	603810143	/nfs/dbraw/zinc/81/01/43/603810143.db2.gz	PFBOYBGJZVESAP-UHFFFAOYSA-N	-1	2	389.437	1.897	20	50		GDGDLM
O=C([O-])N1CCC[C@H](OCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	ZINC000831516729	605594916	/nfs/dbraw/zinc/59/49/16/605594916.db2.gz	ITPBXYYOJYKIGM-ZDUSSCGKSA-N	-1	2	388.380	1.262	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2c(F)cccc2F)n1	ZINC000834229836	605977309	/nfs/dbraw/zinc/97/73/09/605977309.db2.gz	JFJLMHOQTQUVPW-UHFFFAOYSA-N	-1	2	384.364	1.897	20	50		GDGDLM
O=C([O-])COc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1	ZINC001574732287	962848816	/nfs/dbraw/zinc/84/88/16/962848816.db2.gz	HSQRMHMPYUCLDR-UHFFFAOYSA-N	-1	2	381.344	1.880	20	50		GDGDLM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000831736414	604470350	/nfs/dbraw/zinc/47/03/50/604470350.db2.gz	LIIILICOXHPXNG-GFCCVEGCSA-N	-1	2	383.351	1.586	20	50		GDGDLM
O=C([O-])N1CCC2(C[C@H]2C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000831736416	604470366	/nfs/dbraw/zinc/47/03/66/604470366.db2.gz	LIIILICOXHPXNG-LBPRGKRZSA-N	-1	2	383.351	1.586	20	50		GDGDLM
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000826445698	608576553	/nfs/dbraw/zinc/57/65/53/608576553.db2.gz	GDQPPMUINGYTID-UHFFFAOYSA-N	-1	2	376.720	1.286	20	50		GDGDLM
CCn1nc(C(=O)NNC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc2c1=O	ZINC001597927381	989874966	/nfs/dbraw/zinc/87/49/66/989874966.db2.gz	GZQWITOYTAAENW-CSKARUKUSA-N	-1	2	396.359	1.182	20	50		GDGDLM
O=C([O-])C1(CNC(=O)NNC(=O)c2nc3ccccc3s2)CCOCC1	ZINC001605762481	972427146	/nfs/dbraw/zinc/42/71/46/972427146.db2.gz	QAFLUITZTVSKGQ-UHFFFAOYSA-N	-1	2	378.410	1.122	20	50		GDGDLM
CC(C)(CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)C(=O)[O-]	ZINC000826585308	601665166	/nfs/dbraw/zinc/66/51/66/601665166.db2.gz	LUNNRNGJLHLPDN-UHFFFAOYSA-N	-1	2	375.381	1.913	20	50		GDGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)o1	ZINC000832701925	604945604	/nfs/dbraw/zinc/94/56/04/604945604.db2.gz	GJHRGIINDHIKRE-UHFFFAOYSA-N	-1	2	387.327	1.651	20	50		GDGDLM
O=C([O-])C1(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)CCOCC1	ZINC001574579109	962096227	/nfs/dbraw/zinc/09/62/27/962096227.db2.gz	VEIKRLYHVCJUAU-UHFFFAOYSA-N	-1	2	388.376	1.501	20	50		GDGDLM
O=C([O-])Nc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1	ZINC000740045825	978665134	/nfs/dbraw/zinc/66/51/34/978665134.db2.gz	MMJBWAMQGYOIKU-UHFFFAOYSA-N	-1	2	391.409	1.144	20	50		GDGDLM
O=C([O-])NCCCn1ccc2cc(C(=O)NNC(=O)c3ccccn3)ccc21	ZINC000832636945	603523296	/nfs/dbraw/zinc/52/32/96/603523296.db2.gz	XKTBJSAWKRLPOD-UHFFFAOYSA-N	-1	2	381.392	1.769	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(Cc2cccc(F)c2)n1	ZINC000834231679	605788385	/nfs/dbraw/zinc/78/83/85/605788385.db2.gz	JWNZUAIOTNATKS-UHFFFAOYSA-N	-1	2	380.401	1.682	20	50		GDGDLM
C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000824869019	604065247	/nfs/dbraw/zinc/06/52/47/604065247.db2.gz	SYNUGXULFLJUAU-LBPRGKRZSA-N	-1	2	375.381	1.866	20	50		GDGDLM
O=C([O-])c1ccc(CCNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1	ZINC000833145993	600764945	/nfs/dbraw/zinc/76/49/45/600764945.db2.gz	XNGWWHXMEKBHIA-UHFFFAOYSA-N	-1	2	393.346	1.930	20	50		GDGDLM
COc1ccccc1SCC(=O)NNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001599718188	991492787	/nfs/dbraw/zinc/49/27/87/991492787.db2.gz	LKHDCCHYVSDRTF-CLFYSBASSA-N	-1	2	376.390	1.939	20	50		GDGDLM
CO[C@@H](C)c1nc(C)c(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)s1	ZINC000828829850	603448129	/nfs/dbraw/zinc/44/81/29/603448129.db2.gz	GYKGHZWEYWWCBN-VIFPVBQESA-N	-1	2	385.446	1.245	20	50		GDGDLM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000826115075	603641066	/nfs/dbraw/zinc/64/10/66/603641066.db2.gz	ARAHUOKAGZFOKF-YGRLFVJLSA-N	-1	2	388.380	1.606	20	50		GDGDLM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000825832847	605554625	/nfs/dbraw/zinc/55/46/25/605554625.db2.gz	VOJNEXIGASXERO-QWRGUYRKSA-N	-1	2	386.355	1.520	20	50		GDGDLM
O=C([O-])c1ccccc1CNC(=O)NNC(=O)C(F)(F)Oc1ccccc1	ZINC001594771963	953568609	/nfs/dbraw/zinc/56/86/09/953568609.db2.gz	JTQGGFANXUCJQY-UHFFFAOYSA-N	-1	2	379.319	1.887	20	50		GDGDLM
O=C([O-])c1cccc(C(=O)NNC(=O)c2cc(F)ccc2Br)n1	ZINC000740214321	978672653	/nfs/dbraw/zinc/67/26/53/978672653.db2.gz	HDNCWLVONMKWTH-UHFFFAOYSA-N	-1	2	382.145	1.756	20	50		GDGDLM
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2csc(C(=O)[O-])n2)CC1	ZINC001589966542	988784082	/nfs/dbraw/zinc/78/40/82/988784082.db2.gz	ASOGREZFKYLYCN-UHFFFAOYSA-N	-1	2	398.441	1.249	20	50		GDGDLM
CC(=O)Nc1cc(Cl)c(NC(=O)NNC(=O)c2ccccn2)cc1C(=O)[O-]	ZINC001589173795	985541578	/nfs/dbraw/zinc/54/15/78/985541578.db2.gz	PEEISBWKLYFJOF-UHFFFAOYSA-N	-1	2	391.771	1.858	20	50		GDGDLM
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001589968440	988794444	/nfs/dbraw/zinc/79/44/44/988794444.db2.gz	UBBJMZCSEAUUKX-UHFFFAOYSA-N	-1	2	381.385	1.386	20	50		GDGDLM
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001593635025	995930495	/nfs/dbraw/zinc/93/04/95/995930495.db2.gz	JTMQWXZTXDELNF-QMMMGPOBSA-N	-1	2	397.181	1.969	20	50		GDGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)o1	ZINC000832702868	603056638	/nfs/dbraw/zinc/05/66/38/603056638.db2.gz	ZENROWJNWRMOHY-UHFFFAOYSA-N	-1	2	382.170	1.885	20	50		GDGDLM
CC(C)(C(=O)[O-])n1ccc(NC(=O)NNC(=O)c2nc3ccccc3s2)n1	ZINC001588627166	959586786	/nfs/dbraw/zinc/58/67/86/959586786.db2.gz	ZTJQYPWBUABDMK-UHFFFAOYSA-N	-1	2	388.409	1.779	20	50		GDGDLM
COc1cc(NC(=O)NNC(=O)c2cccc(C(=O)[O-])n2)c(OC)cc1Cl	ZINC001599440320	997919242	/nfs/dbraw/zinc/91/92/42/997919242.db2.gz	SEXHTMSBDKPCCR-UHFFFAOYSA-N	-1	2	394.771	1.917	20	50		GDGDLM
O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000831736874	603822014	/nfs/dbraw/zinc/82/20/14/603822014.db2.gz	WZHNRRTYZQRCEP-GOSISDBHSA-N	-1	2	391.355	1.712	20	50		GDGDLM
Cc1cc(C(=O)[O-])cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1	ZINC001594288364	957796245	/nfs/dbraw/zinc/79/62/45/957796245.db2.gz	MHRJOXXLCGYPKX-UHFFFAOYSA-N	-1	2	390.421	1.061	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(Cc2ccccc2F)n1	ZINC000834231382	605979640	/nfs/dbraw/zinc/97/96/40/605979640.db2.gz	HCZZISCPRQGCOO-UHFFFAOYSA-N	-1	2	380.401	1.682	20	50		GDGDLM
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)c1C	ZINC000830521556	603228074	/nfs/dbraw/zinc/22/80/74/603228074.db2.gz	IXYKNUGXIUHVLI-GFCCVEGCSA-N	-1	2	375.381	1.893	20	50		GDGDLM
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001593635024	995930449	/nfs/dbraw/zinc/93/04/49/995930449.db2.gz	JTMQWXZTXDELNF-MRVPVSSYSA-N	-1	2	397.181	1.969	20	50		GDGDLM
COc1cc(OC)c(NC(=O)NNC(=O)c2cc(C(=O)[O-])ccn2)cc1Cl	ZINC001599448620	998052091	/nfs/dbraw/zinc/05/20/91/998052091.db2.gz	FBYMAGRPUWKFPM-UHFFFAOYSA-N	-1	2	394.771	1.917	20	50		GDGDLM
O=C([O-])c1cccc(CNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1	ZINC000833146085	601897088	/nfs/dbraw/zinc/89/70/88/601897088.db2.gz	ORUAPLBCDXXMML-UHFFFAOYSA-N	-1	2	379.319	1.887	20	50		GDGDLM
O=C([O-])N1CCC(NC(=O)NNC(=O)c2cc3ccccc3c(Cl)n2)CC1	ZINC000831742540	605470170	/nfs/dbraw/zinc/47/01/70/605470170.db2.gz	JMNIKQSESOETCK-UHFFFAOYSA-N	-1	2	391.815	1.975	20	50		GDGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)n[nH]2)o1	ZINC000832701930	604926061	/nfs/dbraw/zinc/92/60/61/604926061.db2.gz	GWVFSXAPEQVTBV-UHFFFAOYSA-N	-1	2	375.366	1.574	20	50		GDGDLM
O=C([O-])NCC(=O)NNC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1	ZINC000834202868	605448486	/nfs/dbraw/zinc/44/84/86/605448486.db2.gz	GCYYGGOGJMYBIK-UHFFFAOYSA-N	-1	2	386.393	1.024	20	50		GDGDLM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000825832846	605554586	/nfs/dbraw/zinc/55/45/86/605554586.db2.gz	VOJNEXIGASXERO-MNOVXSKESA-N	-1	2	386.355	1.520	20	50		GDGDLM
O=C([O-])N1CCC[C@@H](OCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)C1	ZINC000831516725	605595426	/nfs/dbraw/zinc/59/54/26/605595426.db2.gz	ITPBXYYOJYKIGM-CYBMUJFWSA-N	-1	2	388.380	1.262	20	50		GDGDLM
C[C@@H]1CN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC[C@H]1NC(=O)[O-]	ZINC000826008326	603822522	/nfs/dbraw/zinc/82/25/22/603822522.db2.gz	UHJNJQMKVHTXNG-ZYHUDNBSSA-N	-1	2	386.355	1.377	20	50		GDGDLM
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CSc2n[n-]c(=S)s2)o1	ZINC000820202508	945376173	/nfs/dbraw/zinc/37/61/73/945376173.db2.gz	IVFOLKPVKGUPKU-UHFFFAOYSA-N	-1	2	399.487	1.354	20	50		GDGDLM
Cc1ccc(C(=O)NNC(=O)NCCCN(Cc2cccnc2)C(=O)[O-])o1	ZINC000830224942	603854052	/nfs/dbraw/zinc/85/40/52/603854052.db2.gz	DKZXWWOZYDKNBM-UHFFFAOYSA-N	-1	2	375.385	1.497	20	50		GDGDLM
O=C([O-])NCC(=O)NNC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1	ZINC000834203003	605470283	/nfs/dbraw/zinc/47/02/83/605470283.db2.gz	DWURESLAZOXBRO-UHFFFAOYSA-N	-1	2	386.286	1.205	20	50		GDGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2ccccc2Br)o1	ZINC000832702826	603212594	/nfs/dbraw/zinc/21/25/94/603212594.db2.gz	XUKHUFCHPGAWBI-UHFFFAOYSA-N	-1	2	382.170	1.885	20	50		GDGDLM
CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000823965270	603614828	/nfs/dbraw/zinc/61/48/28/603614828.db2.gz	VBLMCFCZUZCMMA-UHFFFAOYSA-N	-1	2	375.381	1.913	20	50		GDGDLM
CCOC(=O)c1cnc(=NNC(=O)c2ccc(NC(=O)[O-])cc2O)[nH]c1C	ZINC000833861454	605442008	/nfs/dbraw/zinc/44/20/08/605442008.db2.gz	QOOUIVWINORYID-UHFFFAOYSA-N	-1	2	375.341	1.514	20	50		GDGDLM
C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000824869018	604064866	/nfs/dbraw/zinc/06/48/66/604064866.db2.gz	SYNUGXULFLJUAU-GFCCVEGCSA-N	-1	2	375.381	1.866	20	50		GDGDLM
O=C([O-])Nc1ccc(Cc2nc(C(=O)NNC(=O)NC3CC3)cs2)cc1	ZINC000834260234	605520744	/nfs/dbraw/zinc/52/07/44/605520744.db2.gz	ORUJSDALIAXACT-UHFFFAOYSA-N	-1	2	375.410	1.930	20	50		GDGDLM
Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])nc(-c2ccc(Cl)cc2)n1	ZINC000833897800	605976955	/nfs/dbraw/zinc/97/69/55/605976955.db2.gz	GTBQFLUIALQKGS-UHFFFAOYSA-N	-1	2	391.815	1.914	20	50		GDGDLM
COc1ccc(C(=O)NNC(=O)c2cc(C(=O)[O-])co2)cc1Br	ZINC001599483556	996807059	/nfs/dbraw/zinc/80/70/59/996807059.db2.gz	CJXZXHJCCNJDGX-UHFFFAOYSA-N	-1	2	383.154	1.824	20	50		GDGDLM
C[C@H]1CN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC[C@@H]1NC(=O)[O-]	ZINC000826008322	603822178	/nfs/dbraw/zinc/82/21/78/603822178.db2.gz	UHJNJQMKVHTXNG-JQWIXIFHSA-N	-1	2	386.355	1.377	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000834230045	605973602	/nfs/dbraw/zinc/97/36/02/605973602.db2.gz	OVWNKVYUOFEFFF-UHFFFAOYSA-N	-1	2	393.381	1.527	20	50		GDGDLM
O=C([O-])N1CC[C@H](CCNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)C1	ZINC000831666306	603773939	/nfs/dbraw/zinc/77/39/39/603773939.db2.gz	WMIWERUXIXKYFQ-NSHDSACASA-N	-1	2	386.355	1.379	20	50		GDGDLM
CN(C)c1ccc(NC(=S)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1	ZINC000828074055	604032145	/nfs/dbraw/zinc/03/21/45/604032145.db2.gz	UBNOQHYCANFOPB-UHFFFAOYSA-N	-1	2	377.426	1.745	20	50		GDGDLM
O=C([O-])N1CC(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)C1	ZINC000834035180	605728788	/nfs/dbraw/zinc/72/87/88/605728788.db2.gz	JFLOEUPFAYIYIQ-UHFFFAOYSA-N	-1	2	388.380	1.412	20	50		GDGDLM
O=C([O-])C1(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCCCCC1	ZINC001574578460	962089146	/nfs/dbraw/zinc/08/91/46/962089146.db2.gz	HTRBHHYGQQTUHL-UHFFFAOYSA-N	-1	2	396.469	1.166	20	50		GDGDLM
CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000736376314	978326389	/nfs/dbraw/zinc/32/63/89/978326389.db2.gz	TWODJKSKJRWKQO-HNNXBMFYSA-N	-1	2	375.381	1.912	20	50		GDGDLM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000826115073	603641160	/nfs/dbraw/zinc/64/11/60/603641160.db2.gz	ARAHUOKAGZFOKF-IINYFYTJSA-N	-1	2	388.380	1.606	20	50		GDGDLM
COc1ccccc1-c1cc(C(=O)NNC(=O)c2cccc(C(=O)[O-])n2)[nH]n1	ZINC000832577370	604280752	/nfs/dbraw/zinc/28/07/52/604280752.db2.gz	JCDJFGIKUXSKKX-UHFFFAOYSA-N	-1	2	381.348	1.253	20	50		GDGDLM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000736376317	978326710	/nfs/dbraw/zinc/32/67/10/978326710.db2.gz	TWODJKSKJRWKQO-OAHLLOKOSA-N	-1	2	375.381	1.912	20	50		GDGDLM
CO[C@H](C)c1nc(C)c(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)s1	ZINC000828829849	603448030	/nfs/dbraw/zinc/44/80/30/603448030.db2.gz	GYKGHZWEYWWCBN-SECBINFHSA-N	-1	2	385.446	1.245	20	50		GDGDLM
C=CCn1c(=O)c2ccc(C(=O)NNc3ncccc3C(=O)[O-])cc2[nH]c1=S	ZINC001588470090	958522393	/nfs/dbraw/zinc/52/23/93/958522393.db2.gz	CDEBBGIAWINSGI-UHFFFAOYSA-N	-1	2	397.416	1.721	20	50		GDGDLM
CC(C)n1nc(C(=O)NNC(=O)c2cc(C(=O)[O-])ccn2)c2ccccc2c1=O	ZINC001592149833	977020079	/nfs/dbraw/zinc/02/00/79/977020079.db2.gz	NVKYNHZSKHPFGJ-UHFFFAOYSA-N	-1	2	395.375	1.145	20	50		GDGDLM
O=C([O-])N1CCC[C@@H](CNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)C1	ZINC000831641827	603822529	/nfs/dbraw/zinc/82/25/29/603822529.db2.gz	WJPKXKOLOHUJHM-NSHDSACASA-N	-1	2	386.355	1.379	20	50		GDGDLM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000825832845	605554230	/nfs/dbraw/zinc/55/42/30/605554230.db2.gz	VOJNEXIGASXERO-GHMZBOCLSA-N	-1	2	386.355	1.520	20	50		GDGDLM
CC(C)n1nc(C(=O)NNC(=O)c2cc(C(=O)[O-])co2)c2ccccc2c1=O	ZINC001592149300	977015876	/nfs/dbraw/zinc/01/58/76/977015876.db2.gz	BNDDPBDJOJFERQ-UHFFFAOYSA-N	-1	2	384.348	1.343	20	50		GDGDLM
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)o1	ZINC000832911787	601780096	/nfs/dbraw/zinc/78/00/96/601780096.db2.gz	NDLWFTIXKMQURG-SNVBAGLBSA-N	-1	2	392.393	1.097	20	50		GDGDLM
COc1ccccc1[C@@H](CNC(=O)NNC(=O)c1ccc(C)o1)NC(=O)[O-]	ZINC000829599672	603844635	/nfs/dbraw/zinc/84/46/35/603844635.db2.gz	VUHWLLGEILOISF-GFCCVEGCSA-N	-1	2	376.369	1.550	20	50		GDGDLM
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)c3cccc(C(=O)[O-])n3)[nH]n2)c1	ZINC000832924205	604281828	/nfs/dbraw/zinc/28/18/28/604281828.db2.gz	HWKMPMLQZUJDRY-UHFFFAOYSA-N	-1	2	379.376	1.862	20	50		GDGDLM
O=C([O-])NC1CCC(NC(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000832317862	603815301	/nfs/dbraw/zinc/81/53/01/603815301.db2.gz	FKEZPOBVVXGKDV-UHFFFAOYSA-N	-1	2	386.355	1.567	20	50		GDGDLM
COc1ccccc1[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)NC(=O)[O-]	ZINC000829599674	603844656	/nfs/dbraw/zinc/84/46/56/603844656.db2.gz	VUHWLLGEILOISF-LBPRGKRZSA-N	-1	2	376.369	1.550	20	50		GDGDLM
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)o1	ZINC000832911786	601780116	/nfs/dbraw/zinc/78/01/16/601780116.db2.gz	NDLWFTIXKMQURG-JTQLQIEISA-N	-1	2	392.393	1.097	20	50		GDGDLM
CC(C)(CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)NC(=O)[O-]	ZINC000823941656	603462861	/nfs/dbraw/zinc/46/28/61/603462861.db2.gz	UUKRQHQHQKMLIM-UHFFFAOYSA-N	-1	2	390.396	1.849	20	50		GDGDLM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000826115074	603641472	/nfs/dbraw/zinc/64/14/72/603641472.db2.gz	ARAHUOKAGZFOKF-QMTHXVAHSA-N	-1	2	388.380	1.606	20	50		GDGDLM
O=C([O-])COc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1	ZINC001606291223	973692611	/nfs/dbraw/zinc/69/26/11/973692611.db2.gz	AUTNPQMOYFOCTL-UHFFFAOYSA-N	-1	2	381.344	1.880	20	50		GDGDLM
CN(C(=O)[O-])C1CCN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC1	ZINC000827859389	603822444	/nfs/dbraw/zinc/82/24/44/603822444.db2.gz	YHWSAZUWUVUEBJ-UHFFFAOYSA-N	-1	2	386.355	1.473	20	50		GDGDLM
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001589991732	988897187	/nfs/dbraw/zinc/89/71/87/988897187.db2.gz	KYKUSVRSBJCBIH-OKPNEXGHSA-N	-1	2	379.369	1.148	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1n[nH]c2ccc(Br)cc21	ZINC000834231694	605976679	/nfs/dbraw/zinc/97/66/79/605976679.db2.gz	KBNHRZMOWXFOCT-UHFFFAOYSA-N	-1	2	384.190	1.134	20	50		GDGDLM
COc1ccc(C(=O)NNC(=O)c2cccc(C(=O)[O-])n2)cc1Br	ZINC000737930650	978461012	/nfs/dbraw/zinc/46/10/12/978461012.db2.gz	PPPHLCVZHQLSOJ-UHFFFAOYSA-N	-1	2	394.181	1.626	20	50		GDGDLM
O=C([O-])Cc1csc(NC(=O)NNC(=O)c2cc(-c3ccccc3)on2)n1	ZINC000739898312	978658263	/nfs/dbraw/zinc/65/82/63/978658263.db2.gz	FBIVQYPJCABTHN-UHFFFAOYSA-N	-1	2	387.377	1.892	20	50		GDGDLM
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccc(C(=O)[O-])n3)[nH]n2)cc1C	ZINC000832905552	604280275	/nfs/dbraw/zinc/28/02/75/604280275.db2.gz	BHXNTIWJXDUBJU-UHFFFAOYSA-N	-1	2	379.376	1.862	20	50		GDGDLM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000825832848	605554262	/nfs/dbraw/zinc/55/42/62/605554262.db2.gz	VOJNEXIGASXERO-WDEREUQCSA-N	-1	2	386.355	1.520	20	50		GDGDLM
CC(C)(C(=O)[O-])n1ccc(NC(=O)NNC(=O)C(F)(F)Oc2ccccc2)n1	ZINC001602843805	971675747	/nfs/dbraw/zinc/67/57/47/971675747.db2.gz	YBMAQVFPXQYKCO-UHFFFAOYSA-N	-1	2	397.338	1.527	20	50		GDGDLM
Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000830985441	603263362	/nfs/dbraw/zinc/26/33/62/603263362.db2.gz	QDGFHPUAORDBBR-UHFFFAOYSA-N	-1	2	385.174	1.223	20	50		GDGDLM
Cc1ccc(C(=O)NNC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)o1	ZINC000830225509	603834036	/nfs/dbraw/zinc/83/40/36/603834036.db2.gz	QCEANTURBZACQK-UHFFFAOYSA-N	-1	2	386.408	1.974	20	50		GDGDLM
C[C@@H]1C[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21	ZINC000820753259	945554925	/nfs/dbraw/zinc/55/49/25/945554925.db2.gz	XPHWUUKMXVIWOG-CYBMUJFWSA-N	-1	2	391.435	1.247	20	50		GDGDLM
O=C([O-])c1ccc(CNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1	ZINC000833144346	600763830	/nfs/dbraw/zinc/76/38/30/600763830.db2.gz	AMACXPXLORPRIT-UHFFFAOYSA-N	-1	2	379.319	1.887	20	50		GDGDLM
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000827637849	603225280	/nfs/dbraw/zinc/22/52/80/603225280.db2.gz	XTWNZFAVVJWPQL-UHFFFAOYSA-N	-1	2	385.380	1.421	20	50		GDGDLM
O=C([O-])N1CCSC[C@H]1CC(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000831414428	605602513	/nfs/dbraw/zinc/60/25/13/605602513.db2.gz	NWQUZQNNFICZPV-GFCCVEGCSA-N	-1	2	390.421	1.588	20	50		GDGDLM
Cc1ccc(C(=O)NNC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)o1	ZINC000832911289	601622383	/nfs/dbraw/zinc/62/23/83/601622383.db2.gz	CCEYTXKCROLFED-UHFFFAOYSA-N	-1	2	375.381	1.976	20	50		GDGDLM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	ZINC000826115072	603641599	/nfs/dbraw/zinc/64/15/99/603641599.db2.gz	ARAHUOKAGZFOKF-HZMBPMFUSA-N	-1	2	388.380	1.606	20	50		GDGDLM
COc1ccccc1SCC(=O)NNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001599718189	991492758	/nfs/dbraw/zinc/49/27/58/991492758.db2.gz	LKHDCCHYVSDRTF-VQHVLOKHSA-N	-1	2	376.390	1.939	20	50		GDGDLM
C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNC(=O)CCNC(=O)[O-]	ZINC000833838081	605839199	/nfs/dbraw/zinc/83/91/99/605839199.db2.gz	LZIIMKFXBBZGFF-GFCCVEGCSA-N	-1	2	386.408	1.650	20	50		GDGDLM
O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000826445910	608581913	/nfs/dbraw/zinc/58/19/13/608581913.db2.gz	QNOJCNJNZJKVGE-UHFFFAOYSA-N	-1	2	399.758	1.015	20	50		GDGDLM
O=C([O-])N1CCC[C@H](CNC(=O)NNC(=O)C(F)(F)Oc2ccccc2)C1	ZINC000831641825	603822483	/nfs/dbraw/zinc/82/24/83/603822483.db2.gz	WJPKXKOLOHUJHM-LLVKDONJSA-N	-1	2	386.355	1.379	20	50		GDGDLM
CC(C)(C)OC(=O)NCCCCCC(=O)NNC(=O)c1cc(C(=O)[O-])ccn1	ZINC001590184385	989530338	/nfs/dbraw/zinc/53/03/38/989530338.db2.gz	AEJKRRYYTHXCMJ-UHFFFAOYSA-N	-1	2	394.428	1.626	20	50		GDGDLM
COc1cc(OC)c(NC(=O)NNC(=O)c2cccc(C(=O)[O-])n2)cc1Cl	ZINC000832030478	600814599	/nfs/dbraw/zinc/81/45/99/600814599.db2.gz	SJRFAFAKLOUVTL-UHFFFAOYSA-N	-1	2	394.771	1.917	20	50		GDGDLM
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc(CNC(=O)[O-])o3)[nH]n2)cc1	ZINC000830148782	603483473	/nfs/dbraw/zinc/48/34/73/603483473.db2.gz	JJMDYGVYHMSIFH-UHFFFAOYSA-N	-1	2	383.364	1.821	20	50		GDGDLM
CCOc1ccc(C(=O)NNC(=O)c2ccc(CNC(=O)[O-])o2)cc1OC	ZINC000827428922	603231401	/nfs/dbraw/zinc/23/14/01/603231401.db2.gz	ZZKXNUQTLQLLED-UHFFFAOYSA-N	-1	2	377.353	1.529	20	50		GDGDLM
C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NNC(=O)CCNC(=O)[O-]	ZINC000833838082	605839282	/nfs/dbraw/zinc/83/92/82/605839282.db2.gz	LZIIMKFXBBZGFF-LBPRGKRZSA-N	-1	2	386.408	1.650	20	50		GDGDLM
CCCn1nc(C(=O)NNC(=O)c2ccc(C(=O)[O-])o2)c2ccccc2c1=O	ZINC001596118221	983451375	/nfs/dbraw/zinc/45/13/75/983451375.db2.gz	NCRBIVIVQXYQKS-UHFFFAOYSA-N	-1	2	384.348	1.173	20	50		GDGDLM
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001589991730	988897666	/nfs/dbraw/zinc/89/76/66/988897666.db2.gz	KYKUSVRSBJCBIH-JPVGGKMYSA-N	-1	2	379.369	1.148	20	50		GDGDLM
O=C([O-])C1(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)CCSCC1	ZINC001594783259	953655278	/nfs/dbraw/zinc/65/52/78/953655278.db2.gz	XQCBKDHPPKLZEJ-UHFFFAOYSA-N	-1	2	375.406	1.701	20	50		GDGDLM
C[C@@H]1CN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC[C@@H]1NC(=O)[O-]	ZINC000826008324	603822411	/nfs/dbraw/zinc/82/24/11/603822411.db2.gz	UHJNJQMKVHTXNG-PWSUYJOCSA-N	-1	2	386.355	1.377	20	50		GDGDLM
C[C@H]1CN(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)CC[C@H]1NC(=O)[O-]	ZINC000826008320	603822508	/nfs/dbraw/zinc/82/25/08/603822508.db2.gz	UHJNJQMKVHTXNG-CMPLNLGQSA-N	-1	2	386.355	1.377	20	50		GDGDLM
CCc1ccc(-c2cc(C(=O)NNC(=O)c3cccc(C(=O)[O-])n3)[nH]n2)cc1	ZINC000830229544	604281199	/nfs/dbraw/zinc/28/11/99/604281199.db2.gz	XFABJEXVCURJQI-UHFFFAOYSA-N	-1	2	379.376	1.807	20	50		GDGDLM
O=C([O-])N1CCC(NC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)on2)CC1	ZINC000831742936	604849043	/nfs/dbraw/zinc/84/90/43/604849043.db2.gz	WHUNOZMSXWWZFQ-UHFFFAOYSA-N	-1	2	391.359	1.567	20	50		GDGDLM
O=C([O-])NCCCC(=O)NNC(=O)c1csc(Cc2ccc(F)cc2)n1	ZINC000834232087	605979809	/nfs/dbraw/zinc/97/98/09/605979809.db2.gz	OHLUWEOFBGTGCO-UHFFFAOYSA-N	-1	2	380.401	1.682	20	50		GDGDLM