smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1-c1nc2c(nc3cccc(CN4CCCC4)n32)c(=O)[n-]1	ZINC000028524162	204875899	/nfs/dbraw/zinc/87/58/99/204875899.db2.gz	LHIHHCFCFVNTEO-UHFFFAOYSA-N	-1	3	389.459	3.232	1	0		GGAFHM
CN1CCC[C@@H](Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[n-]4)c(N)c32)C1	ZINC000040430978	205065487	/nfs/dbraw/zinc/06/54/87/205065487.db2.gz	CTUHJNJXPMROFF-CYBMUJFWSA-N	-1	3	389.459	3.127	1	0		GGAFHM
O=c1[nH]c2cccc(Oc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c2[nH]1	ZINC000045370455	205096250	/nfs/dbraw/zinc/09/62/50/205096250.db2.gz	RIDPFECWCBUCLD-UHFFFAOYSA-N	-1	3	381.413	3.449	1	0		GGAFHM
COc1cc([O-])c(-c2oc3c(ccc(OC)c3OC)c(=O)c2OC)cc1OC	ZINC000014436520	571705807	/nfs/dbraw/zinc/70/58/07/571705807.db2.gz	ILFIBHRYVRDHNZ-UHFFFAOYSA-N	-1	3	388.372	3.209	1	0	endogenous,in-man	GGAFHM
COc1cc(=O)oc(-c2c(C)c3c(cc2[O-])OC(=O)C[C@@H]3c2ccc(O)cc2)c1	ZINC000013461439	206261605	/nfs/dbraw/zinc/26/16/05/206261605.db2.gz	IZLDEMGPMNPSSR-OAHLLOKOSA-N	-1	3	394.379	3.476	1	0		GGAFHM
Cc1ccc(S(=O)(=O)C(CC(=O)N2CCCC2)=C([O-])c2ccccc2)cc1	ZINC000001623049	206387010	/nfs/dbraw/zinc/38/70/10/206387010.db2.gz	RSPMBLHHEOXXMK-IBGZPJMESA-N	-1	3	385.485	3.033	1	0		GGAFHM
COc1ccc(CC(=O)C2c3cccc([O-])c3C(=O)c3c(O)cccc32)cc1O	ZINC000013862163	207002941	/nfs/dbraw/zinc/00/29/41/207002941.db2.gz	KWFDCBRCBBVNOW-UHFFFAOYSA-N	-1	3	390.391	3.300	1	0		GGAFHM
CCN1CCC[C@H]1CNC(=O)c1c([O-])c(Cl)cc(Br)c1OC	ZINC000027759824	207330798	/nfs/dbraw/zinc/33/07/98/207330798.db2.gz	IPPNEMDTPYLJSE-VIFPVBQESA-N	-1	3	391.693	3.031	1	0		GGAFHM
COc1ccccc1C1CCN(c2[nH]c(=O)[n-]c(=O)c2Cc2ccccc2)CC1	ZINC000028708023	207346839	/nfs/dbraw/zinc/34/68/39/207346839.db2.gz	OTNBHAGJVFDFBS-UHFFFAOYSA-N	-1	3	391.471	3.047	1	0		GGAFHM
O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc2ccccc2c1[O-]	ZINC000028521774	207343028	/nfs/dbraw/zinc/34/30/28/207343028.db2.gz	SKUCKWPHDLFFTL-FGZHOGPDSA-N	-1	3	387.483	3.376	1	0		GGAFHM
C[C@@H](O)c1nc2c(cccc2C(F)(F)F)c([O-])c1C(=O)Nc1ccccn1	ZINC000029250265	207357835	/nfs/dbraw/zinc/35/78/35/207357835.db2.gz	GARPSDSXXHQDFE-SECBINFHSA-N	-1	3	377.322	3.248	1	0		GGAFHM
N=C(N)Nc1cccc(C(=O)Nc2ccc(C=CC(=O)[O-])c(C(F)(F)F)c2)c1	ZINC000029250803	207358086	/nfs/dbraw/zinc/35/80/86/207358086.db2.gz	AVDRZKNBJQDPTE-FNORWQNLSA-N	-1	3	392.337	3.361	1	0		GGAFHM
CCCS(=O)(=O)[N-]c1ccc(F)c(-c2cc3cnccc3c(=O)n2C)c1F	ZINC000084602973	208094057	/nfs/dbraw/zinc/09/40/57/208094057.db2.gz	IZYPLFNUDLNRPT-UHFFFAOYSA-N	-1	3	393.415	3.030	1	0		GGAFHM
COc1c(Cl)cc(Cl)c([O-])c1C(=O)NC[C@@H]1CCCN1CCC[18F]	ZINC000101442774	208394131	/nfs/dbraw/zinc/39/41/31/208394131.db2.gz	LCYSGPSKMAMCSO-AADSUZOKSA-N	-1	3	378.262	3.261	1	0		GGAFHM
COc1cc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC(C)=C2C(=O)OC(C)C)ccc1O	ZINC000101732683	208397940	/nfs/dbraw/zinc/39/79/40/208397940.db2.gz	RNXMOROYCANKTQ-RAOBZKRQSA-N	-1	3	387.392	3.035	1	0		GGAFHM
O=c1c2c([n-]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ncccn1)C2	ZINC000013491042	581100927	/nfs/dbraw/zinc/10/09/27/581100927.db2.gz	DTTHOWQLCVTQCM-NRFANRHFSA-N	-1	3	382.423	3.363	1	0		GGAFHM
Cc1sccc1NC(=O)[N-]c1nc2nn(C)cc2c2nc(-c3ccco3)nn21	ZINC000013683625	210080040	/nfs/dbraw/zinc/08/00/40/210080040.db2.gz	OFJBHNZSLRFALF-UHFFFAOYSA-N	-1	3	394.420	3.285	1	0		GGAFHM
O=C1[N-]C(=O)N(c2ccc(I)cc2)[C@@H]1c1ccccc1	ZINC000013680091	210078416	/nfs/dbraw/zinc/07/84/16/210078416.db2.gz	ZGHYZBSZWYVLDL-CYBMUJFWSA-N	-1	3	378.169	3.089	1	0		GGAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N[C@H](C(=O)c1ccc(F)cc1)C(C)(C)C	ZINC000013588291	210071344	/nfs/dbraw/zinc/07/13/44/210071344.db2.gz	REGHPMOIWHOLII-CRAIPNDOSA-N	-1	3	380.460	3.193	1	0		GGAFHM
O=C(CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1)NC1CCCC1	ZINC000001381450	209323946	/nfs/dbraw/zinc/32/39/46/209323946.db2.gz	XPWFEMJGQBGTLD-UHFFFAOYSA-N	-1	3	398.460	3.220	3	0		GGAFHM
O=c1oc2cc(NCCN3CCOCC3)ccc2cc1-c1nc2ccccc2[n-]1	ZINC000096907918	211350514	/nfs/dbraw/zinc/35/05/14/211350514.db2.gz	CHDFJKZCBJXMLX-UHFFFAOYSA-N	-1	3	390.443	3.080	1	0		GGAFHM
O=C1[N-]c2c(cc(Br)c(Br)c2Br)C1=O	ZINC000028642140	212158434	/nfs/dbraw/zinc/15/84/34/212158434.db2.gz	IDGPYCSCVAFDEH-UHFFFAOYSA-N	-1	3	383.821	3.109	1	0		GGAFHM
O=C([O-])CCN1CCN(CCO[C@@H](c2ccccc2)c2ccc(F)cc2)CC1	ZINC000029311002	212158171	/nfs/dbraw/zinc/15/81/71/212158171.db2.gz	YHKKVXZGTGCXTP-QFIPXVFZSA-N	-1	3	386.467	3.024	1	0		GGAFHM
O=C([O-])CCN1CCN(CCO[C@H](c2ccccc2)c2ccc(F)cc2)CC1	ZINC000029311008	212157169	/nfs/dbraw/zinc/15/71/69/212157169.db2.gz	YHKKVXZGTGCXTP-JOCHJYFZSA-N	-1	3	386.467	3.024	1	0		GGAFHM
CC(=O)c1ccc(OCCCCOc2ccc(-c3nnn[n-]3)cc2)c(C)c1O	ZINC000013582291	221275280	/nfs/dbraw/zinc/27/52/80/221275280.db2.gz	CUTGCQOPZLWLSV-UHFFFAOYSA-N	-1	3	382.420	3.321	1	0		GGAFHM
CC(=O)c1ccc(OCCCCOc2ccc(-c3nn[n-]n3)cc2)c(C)c1O	ZINC000013582291	221275285	/nfs/dbraw/zinc/27/52/85/221275285.db2.gz	CUTGCQOPZLWLSV-UHFFFAOYSA-N	-1	3	382.420	3.321	1	0		GGAFHM
COc1cc(-c2c3c(c([O-])c4cc5c(cc42)OCO5)COC3=O)cc(OC)c1O	ZINC000013434641	221267925	/nfs/dbraw/zinc/26/79/25/221267925.db2.gz	BBMUNWUDCBRTKC-UHFFFAOYSA-N	-1	3	396.351	3.334	1	0	biogenic,in-vitro	GGAFHM
CCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000013736746	221287579	/nfs/dbraw/zinc/28/75/79/221287579.db2.gz	AAIHSHZCQFBIQU-UHFFFAOYSA-N	-1	3	397.442	3.182	1	0		GGAFHM
CCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000013736746	221287582	/nfs/dbraw/zinc/28/75/82/221287582.db2.gz	AAIHSHZCQFBIQU-UHFFFAOYSA-N	-1	3	397.442	3.182	1	0		GGAFHM
CC1(C)C=Cc2c(cc([O-])c3c2OC[C@H](c2cc4c(cc2O)OCO4)C3=O)O1	ZINC000015122160	221333552	/nfs/dbraw/zinc/33/35/52/221333552.db2.gz	RMSBRJLIIWEOOT-GFCCVEGCSA-N	-1	3	382.368	3.370	1	0	biogenic,in-vitro	GGAFHM
O=C1S/C(=C\c2ccc3ccccc3c2)C(=O)N1CC([O-])(O)C(F)(F)F	ZINC000049803368	222002452	/nfs/dbraw/zinc/00/24/52/222002452.db2.gz	XRXHONARBOYNHW-JYRVWZFOSA-N	-1	3	383.347	3.119	1	0		GGAFHM
CCCC[C@H](CN([O-])C=O)C(=O)[C@@H](NC(=O)c1nccc2ccccc21)C(C)C	ZINC000066111570	222137460	/nfs/dbraw/zinc/13/74/60/222137460.db2.gz	PCZBLJVAXPRBJR-MJGOQNOKSA-N	-1	3	399.491	3.212	1	0		GGAFHM
O=C(Nc1ccccc1[O-])c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000073297233	222269815	/nfs/dbraw/zinc/26/98/15/222269815.db2.gz	XFFNCKSCANWAST-SLDRDFCHSA-N	-1	3	376.412	3.180	1	0		GGAFHM
COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c([O-])c2=O	ZINC000014436797	560221397	/nfs/dbraw/zinc/22/13/97/560221397.db2.gz	WNXKIASVAMSBQI-UHFFFAOYSA-N	-1	3	388.372	3.209	1	0	biogenic,in-vitro	GGAFHM
CNC(=O)c1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccn1	ZINC000072174825	1409849523	/nfs/dbraw/zinc/84/95/23/1409849523.db2.gz	AUUBJPHZBKJLMV-UHFFFAOYSA-N	-1	3	383.429	3.034	1	0		GGAFHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCc2ccccc21	ZINC000004879895	204085235	/nfs/dbraw/zinc/08/52/35/204085235.db2.gz	TTZVILMLXITKPB-WMZOPIPTSA-N	-1	3	392.546	3.245	1	0		GGAFHM
CCCc1c(C(=O)NC[C@H](N)C(=O)[O-])[nH]c2cccc(-c3ccccc3CC)c21	ZINC000043119879	205081445	/nfs/dbraw/zinc/08/14/45/205081445.db2.gz	XSHHFVCMUGAULN-SFHVURJKSA-N	-1	3	393.487	3.492	1	0		GGAFHM
CCc1ccccc1-c1ccc(Cl)c2[nH]c(C(=O)NC[C@H](N)C(=O)[O-])cc21	ZINC000043079655	205082095	/nfs/dbraw/zinc/08/20/95/205082095.db2.gz	PAAGAWRKHJGHRH-INIZCTEOSA-N	-1	3	385.851	3.192	1	0		GGAFHM
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCOCC4)cc3C2)c([O-])cc1O	ZINC000058569218	205176716	/nfs/dbraw/zinc/17/67/16/205176716.db2.gz	IBDJXXHTJPHOJQ-UHFFFAOYSA-N	-1	3	396.487	3.209	1	0		GGAFHM
O=C([O-])CCN1CCN(c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)CC1	ZINC000072106017	205303289	/nfs/dbraw/zinc/30/32/89/205303289.db2.gz	JBAIOGDQCNHLJT-UHFFFAOYSA-N	-1	3	384.520	3.457	1	0		GGAFHM
C[C@@H](c1nc2c3cc(Br)ccc3oc2c(=O)[n-]1)N1CCN(C)CC1	ZINC000084713475	205398888	/nfs/dbraw/zinc/39/88/88/205398888.db2.gz	SLRQWILFIQMPFZ-JTQLQIEISA-N	-1	3	391.269	3.153	1	0		GGAFHM
C[C@H](c1nc2c3cc(Br)ccc3oc2c(=O)[n-]1)N1CCN(C)CC1	ZINC000084713477	205399298	/nfs/dbraw/zinc/39/92/98/205399298.db2.gz	SLRQWILFIQMPFZ-SNVBAGLBSA-N	-1	3	391.269	3.153	1	0		GGAFHM
O=C1c2c(c3n(c(=O)c2[O-])CCCCC3)C(=O)N1Cc1cccc2ccccc21	ZINC000071317170	222180769	/nfs/dbraw/zinc/18/07/69/222180769.db2.gz	MBXBUFYMDZUCRX-UHFFFAOYSA-N	-1	3	388.423	3.230	1	0		GGAFHM
CC(=O)CC[C@@]1(C)CC[C@]2(C(C)C)O[C@@H](O)[C@H](OC(=O)c3ccc([O-])cc3)[C@H]12	ZINC000032296494	560089209	/nfs/dbraw/zinc/08/92/09/560089209.db2.gz	NXAOPHXQGPBAHR-FTSHXLFYSA-N	-1	3	390.476	3.447	1	0	biogenic,in-vitro	GGAFHM
CC(C)(C)[C@@H]1NC(=O)[C@@H](CN([O-])C=O)CCCCCCCCCCCNC1=O	ZINC000013583408	581092642	/nfs/dbraw/zinc/09/26/42/581092642.db2.gz	WVDGLBQQBAIIHB-QZTJIDSGSA-N	-1	3	397.560	3.012	1	0		GGAFHM
CC1(C)C=Cc2c([O-])c3c(cc2O1)OC[C@H](c1cc2c(cc1O)OCO2)C3=O	ZINC000014559503	206262700	/nfs/dbraw/zinc/26/27/00/206262700.db2.gz	AOFUWUOPIXODTE-GFCCVEGCSA-N	-1	3	382.368	3.370	1	0		GGAFHM
COc1cc(/C=C2\CCCn3c(=O)c4cc([O-])ccc4nc32)cc(OC)c1O	ZINC000028568284	207343801	/nfs/dbraw/zinc/34/38/01/207343801.db2.gz	IHWWCFJYUSLQBN-MDWZMJQESA-N	-1	3	380.400	3.159	1	0		GGAFHM
COc1ccc(-c2cc(C(=O)c3ccco3)c3c(=O)[nH]c(=S)[n-]c3n2)cc1	ZINC000028650974	207346610	/nfs/dbraw/zinc/34/66/10/207346610.db2.gz	GYXRQXHJUQDLPP-UHFFFAOYSA-N	-1	3	379.397	3.106	1	0		GGAFHM
O=c1[n-]c(=O)c(Cc2ccccc2)c(N2CCC(Cc3ccccc3)CC2)[nH]1	ZINC000028707983	207347099	/nfs/dbraw/zinc/34/70/99/207347099.db2.gz	IUGIFMBKADQHGI-UHFFFAOYSA-N	-1	3	375.472	3.113	1	0		GGAFHM
O=S(=O)([N-][C@H]1[C@@H]2CC[C@@]1(CO)Cc1ccccc1C2)c1ccc(Cl)s1	ZINC000029129036	207354952	/nfs/dbraw/zinc/35/49/52/207354952.db2.gz	GYBDFFZMKZVVPY-BVGQSLNGSA-N	-1	3	397.949	3.236	1	0		GGAFHM
O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)CN[C@H](CF)C2	ZINC000029339933	207361316	/nfs/dbraw/zinc/36/13/16/207361316.db2.gz	JATJBEWEQNLJRG-HNNXBMFYSA-N	-1	3	399.285	3.234	1	0		GGAFHM
COc1ccc(N2C(=O)O[C@H](Cc3ccc([O-])c(Br)c3)C2=O)cc1	ZINC000082157963	208081994	/nfs/dbraw/zinc/08/19/94/208081994.db2.gz	HMPYSWFCBXLAPI-OAHLLOKOSA-N	-1	3	392.205	3.258	1	0		GGAFHM
O=C(Cn1ncc2c3ccccc3nc-2c1[O-])NCCc1ccc(Cl)cc1	ZINC000101779980	208399394	/nfs/dbraw/zinc/39/93/94/208399394.db2.gz	ZSNKCHUIUOYIMD-UHFFFAOYSA-N	-1	3	380.835	3.254	1	0		GGAFHM
Cc1onc(-c2ccccc2)c1CNC[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21	ZINC000058649797	581091599	/nfs/dbraw/zinc/09/15/99/581091599.db2.gz	SLNOTSHFPJYLEY-INIZCTEOSA-N	-1	3	397.456	3.082	1	0		GGAFHM
CCC(=O)c1c([O-])n(O)c2cc(NC(=O)c3cnc4ccccc4n3)ccc21	ZINC000017918886	210212186	/nfs/dbraw/zinc/21/21/86/210212186.db2.gz	SVLXVMIWXRYLMT-UHFFFAOYSA-N	-1	3	376.372	3.372	1	0		GGAFHM
[O-]c1cc(O)c(-c2n[nH]cc2N2CCN(Cc3ccccc3)CC2)cc1Cl	ZINC000014974799	210138414	/nfs/dbraw/zinc/13/84/14/210138414.db2.gz	UTZZWINLZZXVCG-UHFFFAOYSA-N	-1	3	384.867	3.464	1	0		GGAFHM
COc1cccc(OC)c1-c1cc([O-])c2c(=O)c(OC)c(OC)c(OC)c-2o1	ZINC000014436626	210117676	/nfs/dbraw/zinc/11/76/76/210117676.db2.gz	FFSJMCTUMIHWJW-UHFFFAOYSA-N	-1	3	388.372	3.209	1	0		GGAFHM
COc1cccc(OC)c1-c1cc(=O)c2c([O-])c(OC)c(OC)c(OC)c2o1	ZINC000014436626	210117680	/nfs/dbraw/zinc/11/76/80/210117680.db2.gz	FFSJMCTUMIHWJW-UHFFFAOYSA-N	-1	3	388.372	3.209	1	0		GGAFHM
CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)c2ccc([O-])cc2)OC1=O)C(C)C	ZINC000013704176	210081627	/nfs/dbraw/zinc/08/16/27/210081627.db2.gz	YQMGTUAKPTUCGH-VRHLRSHRSA-N	-1	3	390.476	3.472	1	0		GGAFHM
CCO[N-]C(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F	ZINC000013679363	210077640	/nfs/dbraw/zinc/07/76/40/210077640.db2.gz	IKVITEMYFVVJFY-UHFFFAOYSA-N	-1	3	398.232	3.020	1	0		GGAFHM
CCOC(=O)c1ccc(-c2n[n-]c3c2C(=O)c2c-3cccc2NC(N)=O)s1	ZINC000013492189	210064249	/nfs/dbraw/zinc/06/42/49/210064249.db2.gz	DKMYTSDWCTZOQI-UHFFFAOYSA-N	-1	3	382.401	3.017	1	0		GGAFHM
CCOC(=O)c1ccc(-c2[n-]nc3c2C(=O)c2c-3cccc2NC(N)=O)s1	ZINC000013492189	210064252	/nfs/dbraw/zinc/06/42/52/210064252.db2.gz	DKMYTSDWCTZOQI-UHFFFAOYSA-N	-1	3	382.401	3.017	1	0		GGAFHM
COc1c(Br)cnc(C[S@](=O)c2nc3cscc3[n-]2)c1C	ZINC000013448692	210060954	/nfs/dbraw/zinc/06/09/54/210060954.db2.gz	CYVTULNNGPEPBB-OAQYLSRUSA-N	-1	3	386.296	3.407	1	0		GGAFHM
COc1ccc(C(=O)[N-]c2c(F)c[n+]([O-])cc2F)c2ccc(C(F)(F)F)nc12	ZINC000000588630	209249803	/nfs/dbraw/zinc/24/98/03/209249803.db2.gz	GAKWNBHAIWCEJO-UHFFFAOYSA-N	-1	3	399.275	3.426	1	0		GGAFHM
O=C([O-])CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000029325734	209244705	/nfs/dbraw/zinc/24/47/05/209244705.db2.gz	JBZSQAMJWWICNB-UHFFFAOYSA-N	-1	3	382.504	3.275	1	0		GGAFHM
CCCS(=O)(=O)[N-]c1ccc(F)c(-c2ccc3nc(N)ncc3c2)c1F	ZINC000084602978	211170823	/nfs/dbraw/zinc/17/08/23/211170823.db2.gz	QXDRNNNFABLWPN-UHFFFAOYSA-N	-1	3	378.404	3.309	1	0		GGAFHM
COc1ccc(N2C(=O)O[C@@H](Cc3ccc([O-])c(Br)c3)C2=O)cc1	ZINC000082157962	211164414	/nfs/dbraw/zinc/16/44/14/211164414.db2.gz	HMPYSWFCBXLAPI-HNNXBMFYSA-N	-1	3	392.205	3.258	1	0		GGAFHM
CCCC[C@H](CN([O-])C=O)C(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C	ZINC000066111569	211002798	/nfs/dbraw/zinc/00/27/98/211002798.db2.gz	YZMBULROZKNXFM-XLIONFOSSA-N	-1	3	399.491	3.212	1	0		GGAFHM
O=c1cc(N2CCOCC2)nc(Cc2nc3ccccc3n2C2CCCCC2)[n-]1	ZINC000084759459	136175259	/nfs/dbraw/zinc/17/52/59/136175259.db2.gz	FLQGKGPZQLXFCH-UHFFFAOYSA-N	-1	3	393.491	3.052	1	0		GGAFHM
O=c1c2c([n-]c3ccccc31)[C@H](c1ccc3c(c1)OCO3)N(c1ncccn1)C2	ZINC000012360819	581100868	/nfs/dbraw/zinc/10/08/68/581100868.db2.gz	OFCFRIBTCIXCPK-FQEVSTJZSA-N	-1	3	384.395	3.156	1	0		GGAFHM
O=c1c2c([n-]c3ccccc31)[C@@H](c1ccc3c(c1)OCO3)N(c1ncccn1)C2	ZINC000012360820	581100936	/nfs/dbraw/zinc/10/09/36/581100936.db2.gz	OFCFRIBTCIXCPK-HXUWFJFHSA-N	-1	3	384.395	3.156	1	0		GGAFHM
COc1cc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc(OC)c1[O-]	ZINC000014437149	291127816	/nfs/dbraw/zinc/12/78/16/291127816.db2.gz	LRBNYMQUUAIWST-UHFFFAOYSA-N	-1	3	388.372	3.209	1	0	biogenic,in-vitro	GGAFHM
Cc1ccc(C([O-])=C2[C@@H](c3cccs3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000013115926	221261928	/nfs/dbraw/zinc/26/19/28/221261928.db2.gz	UCMYEYOMPOHFNP-IOASZLSFSA-N	-1	3	384.379	3.160	1	0		GGAFHM
Cn1cc2c(n1)nc([N-]C(=O)Nc1ccc(F)cc1)n1nc(-c3ccco3)nc21	ZINC000013472327	221269085	/nfs/dbraw/zinc/26/90/85/221269085.db2.gz	TWURXTVPZRAVFY-UHFFFAOYSA-N	-1	3	392.354	3.054	1	0		GGAFHM
O=c1c2c([n-]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ncccn1)C2	ZINC000013491043	221270746	/nfs/dbraw/zinc/27/07/46/221270746.db2.gz	DTTHOWQLCVTQCM-OAQYLSRUSA-N	-1	3	382.423	3.363	1	0		GGAFHM
O=C([O-])CCC1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21	ZINC000013781427	221288200	/nfs/dbraw/zinc/28/82/00/221288200.db2.gz	IDKAQALCVMXVGC-CQSZACIVSA-N	-1	3	381.215	3.383	1	0		GGAFHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1)c1ccccn1	ZINC000058592164	222054428	/nfs/dbraw/zinc/05/44/28/222054428.db2.gz	QUKSQHJJLBHGAO-UHFFFAOYSA-N	-1	3	389.383	3.413	1	0		GGAFHM
CCN(CC)CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)[N-]C5=O)CCC4	ZINC000073240360	222268591	/nfs/dbraw/zinc/26/85/91/222268591.db2.gz	ZRULQYQOFNOCQL-UHFFFAOYSA-N	-1	3	389.455	3.218	1	0		GGAFHM
Cn1cc(-c2ccc(CN3c4ccccc4[C@@]([O-])(C(F)(F)F)C3=O)cc2)cn1	ZINC000095595689	222357899	/nfs/dbraw/zinc/35/78/99/222357899.db2.gz	QWNDWUZCYJENRY-IBGZPJMESA-N	-1	3	387.361	3.384	1	0		GGAFHM
CCCC[C@H](CN([O-])C=O)C(=O)N[C@H](C(=O)c1ccc(OC)cc1)C(C)(C)C	ZINC000013588286	581092778	/nfs/dbraw/zinc/09/27/78/581092778.db2.gz	JDATXQDDINQWAX-VQIMIIECSA-N	-1	3	392.496	3.063	1	0		GGAFHM
CN1CCC[C@H](Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[n-]4)c(N)c32)C1	ZINC000040430976	581099855	/nfs/dbraw/zinc/09/98/55/581099855.db2.gz	CTUHJNJXPMROFF-ZDUSSCGKSA-N	-1	3	389.459	3.127	1	0		GGAFHM