smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001675919	204016746	/nfs/dbraw/zinc/01/67/46/204016746.db2.gz	ALDQYCRVWHGEFT-LSDHHAIUSA-N	-1	0	372.329	1.695	40	0		FDABRM
Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)ncc1C(=O)[O-]	ZINC000049468469	205172735	/nfs/dbraw/zinc/17/27/35/205172735.db2.gz	CVHPRMZIQYQKJQ-UHFFFAOYSA-N	-1	0	355.803	1.957	40	0		FDABRM
O=C([O-])[C@H]1c2ccccc2C(=O)N(CCN2CCOCC2)C12CCCC2	ZINC000049467089	205173198	/nfs/dbraw/zinc/17/31/98/205173198.db2.gz	OMYXVVYKXCNHHI-QGZVFWFLSA-N	-1	0	358.438	1.956	40	0		FDABRM
CC[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@H](C)O	ZINC000049180803	206085855	/nfs/dbraw/zinc/08/58/55/206085855.db2.gz	VDRDRMCAECTSGB-GTNSWQLSSA-N	-1	0	353.371	1.055	40	0	biogenic,in-vitro	FDABRM
CCOCCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)[O-])c1	ZINC000217643773	206364209	/nfs/dbraw/zinc/36/42/09/206364209.db2.gz	CSDPXMMYRAEUFC-GFCCVEGCSA-N	-1	0	374.459	1.537	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3O4)CC2)c1C	ZINC000225675758	132285875	/nfs/dbraw/zinc/28/58/75/132285875.db2.gz	IGDJUVKHKVQMQL-MLHJIOFPSA-N	-1	0	356.422	1.606	40	0		FDABRM
CC(C)C(=O)N1CCN(c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)CC1	ZINC000057354586	132376410	/nfs/dbraw/zinc/37/64/10/132376410.db2.gz	UGVKKOSGZIJOHA-CQSZACIVSA-N	-1	0	359.426	1.429	40	0		FDABRM
CC[C@H](NC(=O)Cc1c(C)nc2[n-]c(C)nn2c1=O)c1ccc(F)cc1	ZINC000012199974	518597102	/nfs/dbraw/zinc/59/71/02/518597102.db2.gz	DENZOROUIKROSB-HNNXBMFYSA-N	-1	0	357.389	1.984	40	0		FDABRM
Cc1nc2cc([C@H]3CCCN3C(=O)c3ccc(=O)[nH]n3)[n-]n2c(=O)c1C	ZINC000012336966	518606062	/nfs/dbraw/zinc/60/60/62/518606062.db2.gz	YGDJSGZVDWMIAK-CYBMUJFWSA-N	-1	0	354.370	1.112	40	0		FDABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nn2cnnc2)cc1	ZINC000014406042	518690659	/nfs/dbraw/zinc/69/06/59/518690659.db2.gz	XTJDVLMBDDZPTK-UHFFFAOYSA-N	-1	0	357.395	1.771	40	0		FDABRM
CS(=O)(=O)N(Cc1noc(CCC(=O)[O-])n1)c1cccc(Cl)c1	ZINC000078400935	525157807	/nfs/dbraw/zinc/15/78/07/525157807.db2.gz	LHQZCYOZDJTJEJ-UHFFFAOYSA-N	-1	0	359.791	1.706	40	0		FDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccncc2)s1	ZINC000224920900	537542567	/nfs/dbraw/zinc/54/25/67/537542567.db2.gz	OSDCFKIYBPGZRC-UHFFFAOYSA-N	-1	0	355.445	1.396	40	0		FDABRM
COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(OC)c1OC	ZINC000409148822	570732398	/nfs/dbraw/zinc/73/23/98/570732398.db2.gz	SHBONHRDOCYOAN-UXBLZVDNSA-N	-1	0	353.352	1.833	40	0		FDABRM
Nc1cccc(C(=O)Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)c1	ZINC000329060742	571109118	/nfs/dbraw/zinc/10/91/18/571109118.db2.gz	WNMDDBCGDGTOMD-UHFFFAOYSA-N	-1	0	363.377	1.318	40	0		FDABRM
Cc1ccc2nc(C(=O)N3CCOC[C@H]3c3cc(=O)[nH]c(C)n3)cn2c1	ZINC000257274972	571156997	/nfs/dbraw/zinc/15/69/97/571156997.db2.gz	NNLTVTGHMHZPJT-HNNXBMFYSA-N	-1	0	353.382	1.660	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257283227	571157862	/nfs/dbraw/zinc/15/78/62/571157862.db2.gz	OXIMOCXVTQAQCE-LBPRGKRZSA-N	-1	0	361.423	1.666	40	0		FDABRM
O=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1Nc1nc([O-])cc(=O)[nH]1	ZINC000001651113	204016907	/nfs/dbraw/zinc/01/69/07/204016907.db2.gz	HQYNFWCLLKWBHR-PTNGSMBKSA-N	-1	0	373.372	1.224	40	0		FDABRM
COc1ccccc1[C@H]1c2cc3c(cc2O[C@@](O)(CO)[C@@H]1C(=O)[O-])OCO3	ZINC000005809647	204226010	/nfs/dbraw/zinc/22/60/10/204226010.db2.gz	NGTIFJDPPBHRMW-LNLFQRSKSA-N	-1	0	374.345	1.330	40	0		FDABRM
COc1ccccc1[C@@H]1c2cc3c(cc2O[C@](O)(CO)[C@@H]1C(=O)[O-])OCO3	ZINC000005809641	204226332	/nfs/dbraw/zinc/22/63/32/204226332.db2.gz	NGTIFJDPPBHRMW-ZIFCJYIRSA-N	-1	0	374.345	1.330	40	0		FDABRM
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)NCc1ccccc1N	ZINC000006247673	204242192	/nfs/dbraw/zinc/24/21/92/204242192.db2.gz	QNBFKCUHKQXHLA-UHFFFAOYSA-N	-1	0	363.395	1.244	40	0		FDABRM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000016899945	204642528	/nfs/dbraw/zinc/64/25/28/204642528.db2.gz	QZXBDPLUBSEOKX-VXGBXAGGSA-N	-1	0	370.814	1.294	40	0		FDABRM
COc1ccc(CCC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000036217351	205009158	/nfs/dbraw/zinc/00/91/58/205009158.db2.gz	YHSPPMVIKCNUKZ-UHFFFAOYSA-N	-1	0	370.456	1.416	40	0		FDABRM
CCN(Cc1nc(C(=O)[O-])cc(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000049470218	205173114	/nfs/dbraw/zinc/17/31/14/205173114.db2.gz	JWXWIHJEZNLIKF-UHFFFAOYSA-N	-1	0	371.802	1.332	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1	ZINC000136309318	206129993	/nfs/dbraw/zinc/12/99/93/206129993.db2.gz	WYOAYKCLBQDJSK-RDGPPVDQSA-N	-1	0	354.450	1.896	40	0		FDABRM
CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1	ZINC000018063702	206324977	/nfs/dbraw/zinc/32/49/77/206324977.db2.gz	JQMLBNDVXQERQP-HNNXBMFYSA-N	-1	0	359.382	1.074	40	0		FDABRM
COC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)[O-]	ZINC000217668694	206366093	/nfs/dbraw/zinc/36/60/93/206366093.db2.gz	ROAHYKJCCRBPMO-MNOVXSKESA-N	-1	0	360.432	1.145	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cncc(-c3cccc(C(=O)[O-])c3)n2)C1	ZINC000257235327	206605071	/nfs/dbraw/zinc/60/50/71/206605071.db2.gz	GXIQLPTUNNQHJJ-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
O=C([O-])[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)Cc1ccccn1	ZINC000548527770	542690545	/nfs/dbraw/zinc/69/05/45/542690545.db2.gz	CQCSRONFSDSIQZ-NSHDSACASA-N	-1	0	364.379	1.032	40	0		FDABRM
O=C([O-])[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1	ZINC000045958596	132375393	/nfs/dbraw/zinc/37/53/93/132375393.db2.gz	FIIWWWAKJLGSMR-SNVBAGLBSA-N	-1	0	358.316	1.980	40	0		FDABRM
CCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])ncn1	ZINC000079438993	136151056	/nfs/dbraw/zinc/15/10/56/136151056.db2.gz	SRWGJWVABQOQOF-NSHDSACASA-N	-1	0	352.391	1.386	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2	ZINC000000207874	518217088	/nfs/dbraw/zinc/21/70/88/518217088.db2.gz	YSWNWJUKLUOERO-OXJKWZBOSA-N	-1	0	350.168	1.820	40	0		FDABRM
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000001266330	518229864	/nfs/dbraw/zinc/22/98/64/518229864.db2.gz	UXEDYYWVDVLBNH-IRCOFANPSA-N	-1	0	355.460	1.943	40	0		FDABRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(OC)c1	ZINC000006952322	518394669	/nfs/dbraw/zinc/39/46/69/518394669.db2.gz	UKVVNZVFIJSKDC-RIYZIHGNSA-N	-1	0	353.334	1.765	40	0		FDABRM
Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000017076405	518775247	/nfs/dbraw/zinc/77/52/47/518775247.db2.gz	HTSWKCQLFDXXHD-DNIRFERGSA-N	-1	0	373.331	1.371	40	0		FDABRM
COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc(C)c(F)c(=O)[n-]1	ZINC000019579271	518818883	/nfs/dbraw/zinc/81/88/83/518818883.db2.gz	UQBIMRPEIDSHHZ-GFCCVEGCSA-N	-1	0	361.373	1.969	40	0		FDABRM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C[C@@H]2Cc3ccccc3O2)CC1	ZINC000071279479	522108756	/nfs/dbraw/zinc/10/87/56/522108756.db2.gz	DIGCUCQGFAZLBE-USXIJHARSA-N	-1	0	358.438	1.491	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCN(C(=O)Cc4nonc4C)C3)cc2n1	ZINC000100138168	525211864	/nfs/dbraw/zinc/21/18/64/525211864.db2.gz	XREWQQIPDMQCLZ-LBPRGKRZSA-N	-1	0	370.413	1.637	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)cc2)s1	ZINC000223362904	537524005	/nfs/dbraw/zinc/52/40/05/537524005.db2.gz	MMYRSPZSSKPZLK-VIFPVBQESA-N	-1	0	370.456	1.935	40	0		FDABRM
COc1cccc(CCC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000223343179	537524158	/nfs/dbraw/zinc/52/41/58/537524158.db2.gz	TYJISNVMLPRBDM-UHFFFAOYSA-N	-1	0	370.456	1.416	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSCc2ccco2)s1	ZINC000224316645	537540658	/nfs/dbraw/zinc/54/06/58/537540658.db2.gz	VPLXXFRTOWYSFT-UHFFFAOYSA-N	-1	0	362.458	1.301	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccccc2)s1	ZINC000225139712	537544472	/nfs/dbraw/zinc/54/44/72/537544472.db2.gz	PSDOEACVJUCTNJ-SECBINFHSA-N	-1	0	356.429	1.242	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)CCC(=O)[O-])C=C1COC(=O)[C@@]12O	ZINC000514288276	560035358	/nfs/dbraw/zinc/03/53/58/560035358.db2.gz	AHQLBRAJSCUBQQ-PNYIKSMMSA-N	-1	0	366.410	1.824	40	0	biogenic,in-vitro	FDABRM
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409191787	570738001	/nfs/dbraw/zinc/73/80/01/570738001.db2.gz	NIQHKNLATNIKGN-BJMVGYQFSA-N	-1	0	354.746	1.725	40	0		FDABRM
COCc1ccc(C(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)cc1	ZINC000257273965	571156971	/nfs/dbraw/zinc/15/69/71/571156971.db2.gz	NIYKXSNJTOYHCN-QGZVFWFLSA-N	-1	0	357.410	1.802	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cc(-c3ccccc3C(=O)[O-])ncn2)C1	ZINC000257324533	571161911	/nfs/dbraw/zinc/16/19/11/571161911.db2.gz	WPDPVUNEVBBUAC-GFCCVEGCSA-N	-1	0	361.423	1.666	40	0		FDABRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2cnccn2)CC1	ZINC000237951497	178339506	/nfs/dbraw/zinc/33/95/06/178339506.db2.gz	ACPXBOJFLGKBGN-MRXNPFEDSA-N	-1	0	354.410	1.505	40	0		FDABRM
COC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001675922	204016135	/nfs/dbraw/zinc/01/61/35/204016135.db2.gz	ALDQYCRVWHGEFT-CABCVRRESA-N	-1	0	372.329	1.695	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@H]2C=C[C@@H]1O2	ZINC000005369589	204205363	/nfs/dbraw/zinc/20/53/63/204205363.db2.gz	JFUOZIQMCIFVJZ-QTNSFHEISA-N	-1	0	368.433	1.498	40	0		FDABRM
CC(=O)N[C@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000005431453	204208236	/nfs/dbraw/zinc/20/82/36/204208236.db2.gz	LAPLGDSKHNQRAZ-OAHLLOKOSA-N	-1	0	352.346	1.816	40	0		FDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000036182851	205006476	/nfs/dbraw/zinc/00/64/76/205006476.db2.gz	XPFBPWVUVIWPAV-UHFFFAOYSA-N	-1	0	358.401	1.315	40	0		FDABRM
CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000546251575	542131595	/nfs/dbraw/zinc/13/15/95/542131595.db2.gz	DDJRDXCVKNNMKU-LLVKDONJSA-N	-1	0	358.391	1.203	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1N1CCCCC1	ZINC000217634361	132272225	/nfs/dbraw/zinc/27/22/25/132272225.db2.gz	LXYZXSSINBTDMR-CYBMUJFWSA-N	-1	0	368.455	1.832	40	0		FDABRM
CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000217660597	132272380	/nfs/dbraw/zinc/27/23/80/132272380.db2.gz	CTAXUMONIDYLEH-LBPRGKRZSA-N	-1	0	356.444	1.688	40	0		FDABRM
CC[C@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@@]2(CCOC2)O1	ZINC000368445097	260183993	/nfs/dbraw/zinc/18/39/93/260183993.db2.gz	FQDWIZMDSQDYHY-IINYFYTJSA-N	-1	0	361.441	1.405	40	0		FDABRM
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1	ZINC000005940069	518359622	/nfs/dbraw/zinc/35/96/22/518359622.db2.gz	QNVYCEFOJMATGE-UHFFFAOYSA-N	-1	0	364.379	1.909	40	0		FDABRM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)[O-]	ZINC000016899651	518771771	/nfs/dbraw/zinc/77/17/71/518771771.db2.gz	NCOUAWQFEJLBPV-OCCSQVGLSA-N	-1	0	364.423	1.258	40	0		FDABRM
Cn1cnnc1SCc1cc(=O)c2c([n-]n(-c3ccccc3)c2=O)[nH]1	ZINC000017073286	518775491	/nfs/dbraw/zinc/77/54/91/518775491.db2.gz	ILDSKVDNBGWPBH-UHFFFAOYSA-N	-1	0	354.395	1.428	40	0		FDABRM
C[C@H](O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000071614566	522118234	/nfs/dbraw/zinc/11/82/34/522118234.db2.gz	CCMCYVCBDITGSI-IACUBPJLSA-N	-1	0	366.414	1.073	40	0		FDABRM
CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cc1	ZINC000100480061	525214369	/nfs/dbraw/zinc/21/43/69/525214369.db2.gz	NCCWJIKLDMTYLD-BETUJISGSA-N	-1	0	354.428	1.814	40	0		FDABRM
Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1OCC(=O)N(C)C	ZINC000223249414	537520543	/nfs/dbraw/zinc/52/05/43/537520543.db2.gz	LAVYHWYEYCCXHN-UHFFFAOYSA-N	-1	0	355.441	1.719	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCSC(C)(C)C)s1	ZINC000224369394	537540851	/nfs/dbraw/zinc/54/08/51/537540851.db2.gz	NRASPANLAKWMPK-UHFFFAOYSA-N	-1	0	352.507	1.697	40	0		FDABRM
COc1cccc([C@@H](CC(=O)[O-])NC(=S)Nc2cc(OC)ncn2)c1	ZINC000225219960	537544749	/nfs/dbraw/zinc/54/47/49/537544749.db2.gz	XBPCHVVWGWEIJT-GFCCVEGCSA-N	-1	0	362.411	1.996	40	0		FDABRM
O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12)c1ccsc1	ZINC000575402508	550460107	/nfs/dbraw/zinc/46/01/07/550460107.db2.gz	BIPJFUPRHPQHIO-DJIMGWMZSA-N	-1	0	372.446	1.971	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCSC2CCCC2)s1	ZINC000222961014	568582627	/nfs/dbraw/zinc/58/26/27/568582627.db2.gz	LHRVHGXFAZWAQV-UHFFFAOYSA-N	-1	0	364.518	1.841	40	0		FDABRM
COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)c2c1	ZINC000408596404	570576364	/nfs/dbraw/zinc/57/63/64/570576364.db2.gz	YWWWFFPYFXOJMM-RIYZIHGNSA-N	-1	0	356.334	1.834	40	0		FDABRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)ccc1C	ZINC000408597626	570577216	/nfs/dbraw/zinc/57/72/16/570577216.db2.gz	VPIADTOJERLLBR-UHFFFAOYSA-N	-1	0	362.407	1.942	40	0		FDABRM
COC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br	ZINC000408916243	570699273	/nfs/dbraw/zinc/69/92/73/570699273.db2.gz	AAKUANQHKYPLAG-WEVVVXLNSA-N	-1	0	355.144	1.181	40	0		FDABRM
CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1OCC(=O)[O-]	ZINC000409039869	570715564	/nfs/dbraw/zinc/71/55/64/570715564.db2.gz	XBVMDDKFEVHZGU-WQLSENKSSA-N	-1	0	364.423	1.968	40	0		FDABRM
COC(=O)C(=Cc1ccc(OCC(=O)[O-])c(Br)c1)C(=O)OC	ZINC000409046660	570715876	/nfs/dbraw/zinc/71/58/76/570715876.db2.gz	LBWQOVRKLVQRRB-UHFFFAOYSA-N	-1	0	373.155	1.642	40	0		FDABRM
COc1ccccc1CNc1cc(C(F)(F)F)nc(NCC(=O)[O-])n1	ZINC000328994422	571106596	/nfs/dbraw/zinc/10/65/96/571106596.db2.gz	JDKZVXCFDMRQAE-UHFFFAOYSA-N	-1	0	356.304	1.456	40	0		FDABRM
Cc1cnn(CC(=O)N2CCCC[C@H]2c2n[nH]cc2S(C)(=O)=O)c1	ZINC000257277905	571157491	/nfs/dbraw/zinc/15/74/91/571157491.db2.gz	NZZBVEWYUCLQTL-LBPRGKRZSA-N	-1	0	351.432	1.072	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257291708	571158767	/nfs/dbraw/zinc/15/87/67/571158767.db2.gz	QIHIAOVNJXWPRP-GFCCVEGCSA-N	-1	0	361.423	1.666	40	0		FDABRM
Cc1cc2nc(C3CCN(C(=O)CCn4ccnc4)CC3)cc(=O)n2[n-]1	ZINC000257301545	571159564	/nfs/dbraw/zinc/15/95/64/571159564.db2.gz	RYXIJDAUFOZEFJ-UHFFFAOYSA-N	-1	0	354.414	1.736	40	0		FDABRM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1	ZINC000262437372	571343589	/nfs/dbraw/zinc/34/35/89/571343589.db2.gz	PFKRSESHBCDJMC-SECBINFHSA-N	-1	0	368.333	1.508	40	0		FDABRM
COc1ccc(Br)cc1Cc1c([O-])n(C)c(=O)n(C)c1=O	ZINC000001438730	204006647	/nfs/dbraw/zinc/00/66/47/204006647.db2.gz	AMFYAPSDORFIRU-UHFFFAOYSA-N	-1	0	355.188	1.667	40	0		FDABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)[C@@H]2CC[C@H]1C2	ZINC000006742003	204264673	/nfs/dbraw/zinc/26/46/73/204264673.db2.gz	ZITSWVTWVKXAFX-WTTBNOFXSA-N	-1	0	372.421	1.844	40	0		FDABRM
C[C@H]1C(=O)[C@@H](C)[C@@H]2N(C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@]32O4)[C@H]1c1ccco1	ZINC000004040862	206165589	/nfs/dbraw/zinc/16/55/89/206165589.db2.gz	LXIQMFKOABADKQ-AWZDBXFWSA-N	-1	0	357.362	1.411	40	0		FDABRM
CC1(C)S[C@@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000005415784	206239308	/nfs/dbraw/zinc/23/93/08/206239308.db2.gz	UVSYGDAIZHLVBZ-CKYFFXLPSA-N	-1	0	369.830	1.977	40	0		FDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)COC	ZINC000217470753	206362985	/nfs/dbraw/zinc/36/29/85/206362985.db2.gz	IPMRHWDHDVZGNR-NSHDSACASA-N	-1	0	360.432	1.146	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCCO)ccc1NCc1ccccc1	ZINC000217593804	206364044	/nfs/dbraw/zinc/36/40/44/206364044.db2.gz	RFAOVKRXZRQKQW-UHFFFAOYSA-N	-1	0	364.423	1.658	40	0		FDABRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)COc1ccc2c(c1)C(=O)CC2	ZINC000256028229	206590138	/nfs/dbraw/zinc/59/01/38/206590138.db2.gz	ZIAJIBINIWULGC-QGZVFWFLSA-N	-1	0	369.373	1.712	40	0		FDABRM
CS(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257287891	206616675	/nfs/dbraw/zinc/61/66/75/206616675.db2.gz	PRWVGEQUAIIFFA-LLVKDONJSA-N	-1	0	362.411	1.376	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@@H](Cc2cn3cccc3cn2)C1	ZINC000257325317	206624828	/nfs/dbraw/zinc/62/48/28/206624828.db2.gz	WSLBUNZJDQNSLC-XJKSGUPXSA-N	-1	0	359.426	1.587	40	0		FDABRM
CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCC(=O)[O-]	ZINC000257254994	132295911	/nfs/dbraw/zinc/29/59/11/132295911.db2.gz	KFRDJKIAIKWGRP-LJQANCHMSA-N	-1	0	372.425	1.284	40	0		FDABRM
CCn1nc(C)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1C	ZINC000012147724	518593310	/nfs/dbraw/zinc/59/33/10/518593310.db2.gz	FUQPOVMBMASWKQ-UHFFFAOYSA-N	-1	0	350.400	1.652	40	0		FDABRM
CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)CN3CCCC3=O)[n-]n2c1=O	ZINC000012276343	518599736	/nfs/dbraw/zinc/59/97/36/518599736.db2.gz	PIUQFPLKLARKCC-HNNXBMFYSA-N	-1	0	371.441	1.592	40	0		FDABRM
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000013166626	518652473	/nfs/dbraw/zinc/65/24/73/518652473.db2.gz	OKGSUQLNBAJZSS-UHFFFAOYSA-N	-1	0	362.407	1.952	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)CC2)c1C	ZINC000015746638	518733433	/nfs/dbraw/zinc/73/34/33/518733433.db2.gz	MQFAJDVHISGRMJ-MLHJIOFPSA-N	-1	0	358.438	1.830	40	0		FDABRM
Cc1ccc(CN2CCN(C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)[O-])CC2)cc1	ZINC000017073593	518774691	/nfs/dbraw/zinc/77/46/91/518774691.db2.gz	PNCDCWBGQYHWQO-XDNAFOTISA-N	-1	0	356.422	1.293	40	0		FDABRM
CCc1[n-]n2c(nc([C@H]3CCN(C(=O)Cc4nonc4C)C3)cc2=O)c1C	ZINC000100147049	525212569	/nfs/dbraw/zinc/21/25/69/525212569.db2.gz	PFKMCEBDMXWTKG-LBPRGKRZSA-N	-1	0	370.413	1.556	40	0		FDABRM
COc1ccc(N2C(=O)[C@H]3C(C(=O)c4ccccc4)=NOC3=C2[O-])cc1	ZINC000100354942	525213498	/nfs/dbraw/zinc/21/34/98/525213498.db2.gz	OPOZTSJIWVLSJW-WMLDXEAASA-N	-1	0	350.330	1.822	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)s1	ZINC000224409125	537539720	/nfs/dbraw/zinc/53/97/20/537539720.db2.gz	DIUJTNLWVBZDCB-JTQLQIEISA-N	-1	0	354.457	1.796	40	0		FDABRM
COC(=O)C(=Cc1cc(Cl)c(OCC(=O)[O-])c(OC)c1)C(=O)OC	ZINC000409053452	570717615	/nfs/dbraw/zinc/71/76/15/570717615.db2.gz	CTMPLLZIEPHSMZ-UHFFFAOYSA-N	-1	0	358.730	1.541	40	0		FDABRM
COCC(=O)N1CCC(c2cncc(-c3cncc(C(=O)[O-])c3)n2)CC1	ZINC000257224351	571151924	/nfs/dbraw/zinc/15/19/24/571151924.db2.gz	FBLNBRXUQDMKPV-UHFFFAOYSA-N	-1	0	356.382	1.589	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257244870	571153822	/nfs/dbraw/zinc/15/38/22/571153822.db2.gz	INDSRIKDXHRCLS-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
Cc1noc(C)c1CC(=O)N1CCC(c2cc(=O)n3[n-]ccc3n2)CC1	ZINC000257317615	571161301	/nfs/dbraw/zinc/16/13/01/571161301.db2.gz	VKMWJPKKIANZOU-UHFFFAOYSA-N	-1	0	355.398	1.988	40	0		FDABRM
Cc1nc(-c2cccc(C(=O)[O-])c2)cc([C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257323597	571161919	/nfs/dbraw/zinc/16/19/19/571161919.db2.gz	WLALCCFFWDQDBD-AWEZNQCLSA-N	-1	0	361.423	1.899	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257336699	571162837	/nfs/dbraw/zinc/16/28/37/571162837.db2.gz	YPQHMJBKAXRFAC-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
Cc1cc(S(=O)(=O)N2CCC[C@H](CC(N)=O)CC2)ccc1C(=O)[O-]	ZINC000671648014	571196190	/nfs/dbraw/zinc/19/61/90/571196190.db2.gz	WCQMHDUXABVIJE-LBPRGKRZSA-N	-1	0	354.428	1.359	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cnc(-c3cccc(C(=O)[O-])c3)cn2)C1	ZINC000257219990	571321808	/nfs/dbraw/zinc/32/18/08/571321808.db2.gz	DJCOGAAYWWPGHO-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000004179736	204125929	/nfs/dbraw/zinc/12/59/29/204125929.db2.gz	YGTSBWSWLUWAKN-DMKPRTFPSA-N	-1	0	370.449	1.722	40	0		FDABRM
NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-]	ZINC000005949343	204232553	/nfs/dbraw/zinc/23/25/53/204232553.db2.gz	HUBNETMUUPYXBP-CQSZACIVSA-N	-1	0	365.411	1.020	40	0		FDABRM
CCCNC(=O)c1nn(CC)cc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000006399603	204247081	/nfs/dbraw/zinc/24/70/81/204247081.db2.gz	BEFORCFFPINKCM-WVWOOGAGSA-N	-1	0	362.430	1.728	40	0		FDABRM
COc1cccc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)c1	ZINC000006727179	204263357	/nfs/dbraw/zinc/26/33/57/204263357.db2.gz	QPWGHFYPCHTRPZ-NEPXVJNWSA-N	-1	0	370.449	1.862	40	0		FDABRM
COc1cc(OC)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1Cl	ZINC000006730186	204263536	/nfs/dbraw/zinc/26/35/36/204263536.db2.gz	POZZNRSKEPZBQL-OAACRXHESA-N	-1	0	353.758	1.950	40	0		FDABRM
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000011582390	206284708	/nfs/dbraw/zinc/28/47/08/206284708.db2.gz	UXEDYYWVDVLBNH-QCNOEVLYSA-N	-1	0	355.460	1.943	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217666768	206365528	/nfs/dbraw/zinc/36/55/28/206365528.db2.gz	DEYGVGFPOVSUJK-VXGBXAGGSA-N	-1	0	372.443	1.289	40	0		FDABRM
CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)CCCC(=O)[O-]	ZINC000257301663	132296797	/nfs/dbraw/zinc/29/67/97/132296797.db2.gz	RZHYZSCFLUPZEM-UHFFFAOYSA-N	-1	0	374.441	1.379	40	0		FDABRM
C[C@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)ccc21	ZINC000006958098	518394554	/nfs/dbraw/zinc/39/45/54/518394554.db2.gz	ILJWOMFWRQRQNL-SNVBAGLBSA-N	-1	0	371.418	1.886	40	0		FDABRM
CC(C)(C)OC(=O)N1CCC2(CC1)NC1(CCCC1)C(=O)N2CC(=O)[O-]	ZINC000012357240	518607972	/nfs/dbraw/zinc/60/79/72/518607972.db2.gz	RRJSZHNVLZOZCN-UHFFFAOYSA-N	-1	0	367.446	1.543	40	0		FDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N[C@H](C)c1cnn(C)c1C	ZINC000019716660	518829573	/nfs/dbraw/zinc/82/95/73/518829573.db2.gz	APKZEEDIWQVBDV-SSDOTTSWSA-N	-1	0	357.461	1.356	40	0		FDABRM
CC1(C)[C@H](C(=O)N2CCN(C[C@@H]3Cc4ccccc4O3)CC2)[C@@H]1C(=O)[O-]	ZINC000071279478	522107393	/nfs/dbraw/zinc/10/73/93/522107393.db2.gz	DIGCUCQGFAZLBE-BHYGNILZSA-N	-1	0	358.438	1.491	40	0		FDABRM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1	ZINC000072360305	522224808	/nfs/dbraw/zinc/22/48/08/522224808.db2.gz	WEFNAFMAABSKNA-NSHDSACASA-N	-1	0	369.476	1.323	40	0		FDABRM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)[O-]	ZINC000101273595	525218720	/nfs/dbraw/zinc/21/87/20/525218720.db2.gz	NCOUAWQFEJLBPV-GXTWGEPZSA-N	-1	0	364.423	1.258	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)n1	ZINC000329024793	527611479	/nfs/dbraw/zinc/61/14/79/527611479.db2.gz	PBCJBOWQZJZXOO-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCCC1	ZINC000217533362	536552897	/nfs/dbraw/zinc/55/28/97/536552897.db2.gz	TZGZGPFTNLGVFJ-GFCCVEGCSA-N	-1	0	356.444	1.688	40	0		FDABRM
COCCCNS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000217602358	536590528	/nfs/dbraw/zinc/59/05/28/536590528.db2.gz	DKUXDHYOMHRCSC-UHFFFAOYSA-N	-1	0	356.444	1.690	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C)cc2)s1	ZINC000224177875	537541078	/nfs/dbraw/zinc/54/10/78/537541078.db2.gz	LSCGBOHLKOATOC-JTQLQIEISA-N	-1	0	370.456	1.551	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccn2)n1	ZINC000329028389	537633782	/nfs/dbraw/zinc/63/37/82/537633782.db2.gz	PUNHUNCAORPKDE-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1	ZINC000634919751	558542764	/nfs/dbraw/zinc/54/27/64/558542764.db2.gz	UDLYYELBAGQNNT-INIZCTEOSA-N	-1	0	362.492	1.396	40	0		FDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O	ZINC000408594356	570575220	/nfs/dbraw/zinc/57/52/20/570575220.db2.gz	ORCDMUGYJIZNRT-WEVVVXLNSA-N	-1	0	372.118	1.269	40	0		FDABRM
Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCC(=O)[O-])C3)c2n1	ZINC000257239178	571153388	/nfs/dbraw/zinc/15/33/88/571153388.db2.gz	HOFQXPMDPNXWHP-LJQANCHMSA-N	-1	0	372.425	1.203	40	0		FDABRM
Cc1nc(-c2ccccc2C(=O)[O-])cc([C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257288665	571158412	/nfs/dbraw/zinc/15/84/12/571158412.db2.gz	PVCNGIZTTHGNHS-LBPRGKRZSA-N	-1	0	361.423	1.899	40	0		FDABRM
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1)C(=O)[O-]	ZINC000224547704	571211693	/nfs/dbraw/zinc/21/16/93/571211693.db2.gz	NOTCFISCFHKOHX-SSBZQZJYSA-N	-1	0	356.378	1.610	40	0		FDABRM
COc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824037	204226980	/nfs/dbraw/zinc/22/69/80/204226980.db2.gz	ZXVIFYTUOVPUQV-BZQUYTCOSA-N	-1	0	358.375	1.331	40	0		FDABRM
O=C(NCc1ccco1)c1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1	ZINC000035315551	204238154	/nfs/dbraw/zinc/23/81/54/204238154.db2.gz	UCEKEAUFSLMKIM-UHFFFAOYSA-N	-1	0	368.328	1.637	40	0		FDABRM
COc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000004044048	206165136	/nfs/dbraw/zinc/16/51/36/206165136.db2.gz	BSOQQWLMYGZOQB-UGIWWLGZSA-N	-1	0	369.373	1.526	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)sc2C)c(OC)c1	ZINC000006679925	206203564	/nfs/dbraw/zinc/20/35/64/206203564.db2.gz	SEVQMBMIANDKIY-UHFFFAOYSA-N	-1	0	356.425	1.973	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCCO)ccc1NCc1ccco1	ZINC000217594434	206364168	/nfs/dbraw/zinc/36/41/68/206364168.db2.gz	ZIRWHFSXCAZISH-UHFFFAOYSA-N	-1	0	354.384	1.251	40	0		FDABRM
CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)[O-]	ZINC000218206601	206369318	/nfs/dbraw/zinc/36/93/18/206369318.db2.gz	KNHZHRMPRMFWBY-NTZNESFSSA-N	-1	0	363.229	1.413	40	0		FDABRM
CN(C[C@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)/C=C/C(=O)[O-]	ZINC000257320440	132297224	/nfs/dbraw/zinc/29/72/24/132297224.db2.gz	VWVLALFPHLNMBL-ZMBJWTFHSA-N	-1	0	370.409	1.060	40	0		FDABRM
Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])nc(Cl)n1	ZINC000072203180	136143852	/nfs/dbraw/zinc/14/38/52/136143852.db2.gz	XILSGJVYPXVYET-JTQLQIEISA-N	-1	0	356.810	1.949	40	0		FDABRM
CCOc1cc(C(=O)[O-])cc(I)c1OCC(N)=O	ZINC000007604174	518426092	/nfs/dbraw/zinc/42/60/92/518426092.db2.gz	BCOBSIIZKKQQFC-UHFFFAOYSA-N	-1	0	365.123	1.252	40	0		FDABRM
O=C(CCn1[n-]c(=O)ccc1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000012116104	518588521	/nfs/dbraw/zinc/58/85/21/518588521.db2.gz	RPXYOCMYIYGQFG-AWEZNQCLSA-N	-1	0	353.382	1.579	40	0		FDABRM
Cc1nnc([N-]c2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)s1	ZINC000072360242	522225887	/nfs/dbraw/zinc/22/58/87/522225887.db2.gz	JMINQQHZHXKLGL-LLVKDONJSA-N	-1	0	354.461	1.785	40	0		FDABRM
O=C([O-])C1(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)CCCCC1	ZINC000098063894	525201109	/nfs/dbraw/zinc/20/11/09/525201109.db2.gz	CVHPBMVWVNRGJY-UONOGXRCSA-N	-1	0	359.426	1.765	40	0		FDABRM
C[C@H](NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1)C(=O)[O-]	ZINC000101398137	525221757	/nfs/dbraw/zinc/22/17/57/525221757.db2.gz	KTKRUZAQJABZJT-RWMBFGLXSA-N	-1	0	360.414	1.370	40	0		FDABRM
CNC(=O)[C@@H]1CCCN1C(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634872771	558538614	/nfs/dbraw/zinc/53/86/14/558538614.db2.gz	VOLYCUGFNKAJTI-GUYCJALGSA-N	-1	0	352.818	1.809	40	0		FDABRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2c(cc(F)c(F)c2F)s1	ZINC000284658020	571145751	/nfs/dbraw/zinc/14/57/51/571145751.db2.gz	DQSRUVWXZWALHS-RXMQYKEDSA-N	-1	0	367.374	1.932	40	0		FDABRM
Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CCC(=O)[O-])C3)c2n1	ZINC000257239177	571153390	/nfs/dbraw/zinc/15/33/90/571153390.db2.gz	HOFQXPMDPNXWHP-IBGZPJMESA-N	-1	0	372.425	1.203	40	0		FDABRM
COc1ccccc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1	ZINC000257286053	571158085	/nfs/dbraw/zinc/15/80/85/571158085.db2.gz	PKAFKOKVGHSAFY-NVXWUHKLSA-N	-1	0	357.362	1.658	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3ccccc3C(=O)[O-])ncn2)C1	ZINC000257324534	571161885	/nfs/dbraw/zinc/16/18/85/571161885.db2.gz	WPDPVUNEVBBUAC-LBPRGKRZSA-N	-1	0	361.423	1.666	40	0		FDABRM
CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1	ZINC000257220673	571321749	/nfs/dbraw/zinc/32/17/49/571321749.db2.gz	DLRDQCYERSSMAS-SFHVURJKSA-N	-1	0	354.406	1.999	40	0		FDABRM
COC[C@@]1(C(=O)[O-])[C@H](S(C)(=O)=O)[C@H]1c1ccc(Br)cc1	ZINC000242473314	571328775	/nfs/dbraw/zinc/32/87/75/571328775.db2.gz	FGCLEQCOCZDXJJ-WZRBSPASSA-N	-1	0	363.229	1.677	40	0		FDABRM
CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000262271986	571342149	/nfs/dbraw/zinc/34/21/49/571342149.db2.gz	YGOUHDGBPNODCI-HNNXBMFYSA-N	-1	0	368.455	1.595	40	0		FDABRM
CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)[O-])cc1	ZINC000264631677	179153264	/nfs/dbraw/zinc/15/32/64/179153264.db2.gz	VGAGJEBJIHNSBO-AWEZNQCLSA-N	-1	0	350.396	1.506	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)cc2)cc(-c2ccccn2)n1	ZINC000328981948	203845582	/nfs/dbraw/zinc/84/55/82/203845582.db2.gz	GXAGIZNRGUEJIQ-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccncc2)n1	ZINC000328981546	203845931	/nfs/dbraw/zinc/84/59/31/203845931.db2.gz	GUDNTGNXMDVMEZ-UHFFFAOYSA-N	-1	0	365.349	1.351	40	0		FDABRM
Cn1c2nc(SCCC(=O)[O-])n(Cc3ccccc3)c2c(=O)[nH]c1=O	ZINC000004225908	204126827	/nfs/dbraw/zinc/12/68/27/204126827.db2.gz	LXAFRZHOVLDHAS-UHFFFAOYSA-N	-1	0	360.395	1.038	40	0		FDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)NC[C@H]2COc3ccccc3O2)cc1	ZINC000005929550	204230500	/nfs/dbraw/zinc/23/05/00/204230500.db2.gz	SFPAQMHRRBYCEQ-ZDUSSCGKSA-N	-1	0	362.407	1.823	40	0		FDABRM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cccc(N(C)C)c1)CC2	ZINC000096157057	205839658	/nfs/dbraw/zinc/83/96/58/205839658.db2.gz	WHFQKEIHLLMKFO-KRWDZBQOSA-N	-1	0	373.453	1.680	40	0		FDABRM
COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(C)=O	ZINC000000795946	206132582	/nfs/dbraw/zinc/13/25/82/206132582.db2.gz	KPONEMQHHUMJCC-CQSZACIVSA-N	-1	0	351.384	1.622	40	0		FDABRM
CS(=O)(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1	ZINC000000812558	206134000	/nfs/dbraw/zinc/13/40/00/206134000.db2.gz	YRWRAEBLAZLGRD-KRWDZBQOSA-N	-1	0	360.391	1.471	40	0		FDABRM
COc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000004044046	206165634	/nfs/dbraw/zinc/16/56/34/206165634.db2.gz	BSOQQWLMYGZOQB-ZBBIYILVSA-N	-1	0	369.373	1.526	40	0		FDABRM
CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)s1	ZINC000017073023	206321699	/nfs/dbraw/zinc/32/16/99/206321699.db2.gz	UHCVYUMZZUAAFU-QCNOEVLYSA-N	-1	0	352.412	1.616	40	0		FDABRM
O=C([O-])[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218504909	206371005	/nfs/dbraw/zinc/37/10/05/206371005.db2.gz	NQRJUERJIVZLHG-HLLBOEOZSA-N	-1	0	350.367	1.829	40	0		FDABRM
COCC(=O)N1CCC(Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)CC1	ZINC000257321233	206623706	/nfs/dbraw/zinc/62/37/06/206623706.db2.gz	WASOGPSUSDUNFA-UHFFFAOYSA-N	-1	0	370.409	1.664	40	0		FDABRM
Cc1nc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2c(C)nn(C)c2C)s1	ZINC000548534069	542693340	/nfs/dbraw/zinc/69/33/40/542693340.db2.gz	PCKWELLKRMAEGF-LLVKDONJSA-N	-1	0	358.445	1.214	40	0		FDABRM
O=C([O-])[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCOCC2)C1	ZINC000045958599	132375433	/nfs/dbraw/zinc/37/54/33/132375433.db2.gz	FIIWWWAKJLGSMR-JTQLQIEISA-N	-1	0	358.316	1.980	40	0		FDABRM
CC(C)c1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)[O-])cc1	ZINC000096306688	525157914	/nfs/dbraw/zinc/15/79/14/525157914.db2.gz	UVNUYLWRQOLAOV-UHFFFAOYSA-N	-1	0	371.397	1.385	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCN(C(=O)c4cncc(N)c4)C3)cc2n1	ZINC000100138296	525211897	/nfs/dbraw/zinc/21/18/97/525211897.db2.gz	RAZLXTITVHPUAO-LBPRGKRZSA-N	-1	0	366.425	1.994	40	0		FDABRM
N=c1[n-]nc2nc(CC(=O)c3ccccc3)/c(=C\C(=O)c3ccccc3)n12	ZINC000104247277	525401958	/nfs/dbraw/zinc/40/19/58/525401958.db2.gz	PLXMGOVXSKQRMT-FOWTUZBSSA-N	-1	0	357.373	1.514	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)s1	ZINC000223127886	537519394	/nfs/dbraw/zinc/51/93/94/537519394.db2.gz	WEQZCWGPDNDPOP-UHFFFAOYSA-N	-1	0	369.428	1.646	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSC2CCCC2)s1	ZINC000223437123	537526978	/nfs/dbraw/zinc/52/69/78/537526978.db2.gz	XVGPLOFMTUZGQE-UHFFFAOYSA-N	-1	0	350.491	1.451	40	0		FDABRM
CC(C)OCCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000223920489	537537813	/nfs/dbraw/zinc/53/78/13/537537813.db2.gz	UNUBKJBZNXLOHW-UHFFFAOYSA-N	-1	0	350.466	1.226	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2cccc(C)c2)s1	ZINC000225125051	537544354	/nfs/dbraw/zinc/54/43/54/537544354.db2.gz	ORDXMJOBXSADES-UHFFFAOYSA-N	-1	0	356.429	1.162	40	0		FDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1cncs1)O[C@@H](C)C(=O)N2	ZINC000585272841	551576466	/nfs/dbraw/zinc/57/64/66/551576466.db2.gz	OWLPXDIDZMETET-QMMMGPOBSA-N	-1	0	367.408	1.290	40	0		FDABRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)s1	ZINC000585273470	551576483	/nfs/dbraw/zinc/57/64/83/551576483.db2.gz	RQVVTKBCZSNIGS-UHFFFAOYSA-N	-1	0	367.408	1.210	40	0		FDABRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)on1	ZINC000585273491	551576514	/nfs/dbraw/zinc/57/65/14/551576514.db2.gz	RWBYWHFDGGKMMQ-VIFPVBQESA-N	-1	0	365.367	1.130	40	0		FDABRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000409065014	570718190	/nfs/dbraw/zinc/71/81/90/570718190.db2.gz	KFKBWQCEXBQVEG-SZJBZFAYSA-N	-1	0	365.363	1.748	40	0		FDABRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc2c1OCCC2	ZINC000650231281	570877818	/nfs/dbraw/zinc/87/78/18/570877818.db2.gz	JZPBQCAZZSGURP-MRXNPFEDSA-N	-1	0	355.412	1.266	40	0		FDABRM
CS(=O)(=O)N1CCC[C@@H](c2nccnc2-c2ccc(C(=O)[O-])cc2)C1	ZINC000257270509	571321752	/nfs/dbraw/zinc/32/17/52/571321752.db2.gz	MUNHUMCAERUJAH-CQSZACIVSA-N	-1	0	361.423	1.981	40	0		FDABRM
O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccc(N2CCCC2=O)cc1	ZINC000655601011	809672652	/nfs/dbraw/zinc/67/26/52/809672652.db2.gz	CSALDYBEYPCAFY-INIZCTEOSA-N	-1	0	353.378	1.634	40	0		FDABRM
COc1ccc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)c(OC)c1	ZINC000329069454	203849601	/nfs/dbraw/zinc/84/96/01/203849601.db2.gz	YYHCWQJKDDALKR-UHFFFAOYSA-N	-1	0	372.303	1.597	40	0		FDABRM
COc1cccc2c1OC(=O)[C@H]1[C@@H](C(=O)[O-])Sc3[nH]c(=O)sc3[C@H]21	ZINC000004042640	203919153	/nfs/dbraw/zinc/91/91/53/203919153.db2.gz	DYFKIRSJFMIWQT-XLDPMVHQSA-N	-1	0	365.388	1.671	40	0		FDABRM
COC(=O)[C@H](N)Cc1cc(Br)c([O-])c(Br)c1	ZINC000002539052	204043751	/nfs/dbraw/zinc/04/37/51/204043751.db2.gz	XIWWDKTXRPGESF-MRVPVSSYSA-N	-1	0	353.010	1.960	40	0		FDABRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccc(O)cc3OC(=O)[C@@H]12	ZINC000004597811	204149723	/nfs/dbraw/zinc/14/97/23/204149723.db2.gz	XLLALKBLIJIEGD-MRTMQBJTSA-N	-1	0	351.361	1.780	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(C)(C)Cc2ccccc2)s1	ZINC000036217380	205008742	/nfs/dbraw/zinc/00/87/42/205008742.db2.gz	YYENPWRNGQOFTK-UHFFFAOYSA-N	-1	0	354.457	1.796	40	0		FDABRM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000045865883	206080518	/nfs/dbraw/zinc/08/05/18/206080518.db2.gz	CXDHXOQPYDAVRR-UHFFFAOYSA-N	-1	0	369.420	1.678	40	0		FDABRM
COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(C)=O	ZINC000000795947	206133179	/nfs/dbraw/zinc/13/31/79/206133179.db2.gz	KPONEMQHHUMJCC-AWEZNQCLSA-N	-1	0	351.384	1.622	40	0		FDABRM
[NH3+][C@H](CC(=O)[O-])c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1	ZINC000008701476	206247245	/nfs/dbraw/zinc/24/72/45/206247245.db2.gz	NXEFIRFPRVLDOA-LLVKDONJSA-N	-1	0	356.791	1.405	40	0		FDABRM
Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@H]3NC(=O)CCCC[C@H]32)cc1	ZINC000212417277	206341650	/nfs/dbraw/zinc/34/16/50/206341650.db2.gz	KRSBXMRZWXCXFG-RBSFLKMASA-N	-1	0	366.439	1.270	40	0		FDABRM
CCOCCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)[O-])c1	ZINC000217643680	206364342	/nfs/dbraw/zinc/36/43/42/206364342.db2.gz	CSDPXMMYRAEUFC-LBPRGKRZSA-N	-1	0	374.459	1.537	40	0		FDABRM
O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1	ZINC000287108205	183213659	/nfs/dbraw/zinc/21/36/59/183213659.db2.gz	ARCFJNURGRIQFK-VIFPVBQESA-N	-1	0	352.334	1.976	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257270052	206613100	/nfs/dbraw/zinc/61/31/00/206613100.db2.gz	MSPBHZNJZFEMHS-GFCCVEGCSA-N	-1	0	356.382	1.274	40	0		FDABRM
COC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409134600	263532204	/nfs/dbraw/zinc/53/22/04/263532204.db2.gz	SKFSIAVZGWDHNN-IZZDOVSWSA-N	-1	0	351.336	1.359	40	0		FDABRM
Nc1c2cccc3c2c(cc1S(=O)(=O)[O-])C(=O)N(c1ccccn1)C3=O	ZINC000006133686	518364379	/nfs/dbraw/zinc/36/43/79/518364379.db2.gz	ZYGUWGGMQUFXJF-UHFFFAOYSA-N	-1	0	369.358	1.864	40	0		FDABRM
CCc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C	ZINC000012143726	518590242	/nfs/dbraw/zinc/59/02/42/518590242.db2.gz	MQPPOWAZQZQDQL-VIFPVBQESA-N	-1	0	350.400	1.801	40	0		FDABRM
Cc1cc2nc(CNC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc(=O)n2[n-]1	ZINC000019130077	518801366	/nfs/dbraw/zinc/80/13/66/518801366.db2.gz	QMHBUJLQYVEZNL-CYBMUJFWSA-N	-1	0	351.366	1.486	40	0		FDABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1O	ZINC000020152484	518844563	/nfs/dbraw/zinc/84/45/63/518844563.db2.gz	WBZCNMKBBPGTMF-UHFFFAOYSA-N	-1	0	360.347	1.946	40	0		FDABRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc3c(n2)CCCC3=O)cc1	ZINC000020633935	518855532	/nfs/dbraw/zinc/85/55/32/518855532.db2.gz	HHIBIPPQTIMZEY-UHFFFAOYSA-N	-1	0	360.395	1.755	40	0		FDABRM
CCc1[n-]n2c(nc([C@@H]3CCN(C(=O)Cc4nonc4C)C3)cc2=O)c1C	ZINC000100147048	525212523	/nfs/dbraw/zinc/21/25/23/525212523.db2.gz	PFKMCEBDMXWTKG-GFCCVEGCSA-N	-1	0	370.413	1.556	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NCCO	ZINC000217615141	526355308	/nfs/dbraw/zinc/35/53/08/526355308.db2.gz	RUSREGXZEFGQQH-UHFFFAOYSA-N	-1	0	364.423	1.310	40	0		FDABRM
COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1OC	ZINC000262775735	537254440	/nfs/dbraw/zinc/25/44/40/537254440.db2.gz	BPZHDXIKGJREDO-JTQLQIEISA-N	-1	0	363.819	1.985	40	0		FDABRM
COc1cc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1Cl	ZINC000222433608	537508691	/nfs/dbraw/zinc/50/86/91/537508691.db2.gz	POZZNRSKEPZBQL-DJBIQUGXSA-N	-1	0	353.758	1.950	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1	ZINC000222440697	537508842	/nfs/dbraw/zinc/50/88/42/537508842.db2.gz	WYOAYKCLBQDJSK-ZSYWTGECSA-N	-1	0	354.450	1.896	40	0		FDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000223298234	537523396	/nfs/dbraw/zinc/52/33/96/537523396.db2.gz	XDJINMGTKJNCPG-UHFFFAOYSA-N	-1	0	364.379	1.138	40	0		FDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3cncs3)ccc21	ZINC000585274209	551576974	/nfs/dbraw/zinc/57/69/74/551576974.db2.gz	XMHQPTXGXRAXOK-UHFFFAOYSA-N	-1	0	355.422	1.175	40	0		FDABRM
Cc1ccc2[nH]c(C[C@H]3CN(S(C)(=O)=O)CC[C@H]3CC(=O)[O-])nc2c1	ZINC000514289649	560031854	/nfs/dbraw/zinc/03/18/54/560031854.db2.gz	XTTSKESDBZYAJA-STQMWFEESA-N	-1	0	365.455	1.786	40	0	biogenic,in-vitro	FDABRM
O=C([O-])c1cccc(O[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2O)c1	ZINC000257207647	571149802	/nfs/dbraw/zinc/14/98/02/571149802.db2.gz	BIPOYEOKWMHDSL-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
O=C([O-])c1cccc(O[C@@H]2CN(C(=O)CCCn3cccn3)C[C@H]2O)c1	ZINC000257322319	571161671	/nfs/dbraw/zinc/16/16/71/571161671.db2.gz	WFMAJIFBBYLSMP-HZPDHXFCSA-N	-1	0	359.382	1.012	40	0		FDABRM
CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-]	ZINC000096528511	209154601	/nfs/dbraw/zinc/15/46/01/209154601.db2.gz	NCPDLLUZVKEPIJ-SECBINFHSA-N	-1	0	351.327	1.786	40	0		FDABRM
CCOc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824012	207117854	/nfs/dbraw/zinc/11/78/54/207117854.db2.gz	KNLPRLCCNPAGBS-QMTYFTJSSA-N	-1	0	372.402	1.721	40	0		FDABRM
COc1ccccc1[C@H]1c2cc3c(cc2O[C@](O)(CO)[C@@H]1C(=O)[O-])OCO3	ZINC000005809642	207118004	/nfs/dbraw/zinc/11/80/04/207118004.db2.gz	NGTIFJDPPBHRMW-JENIJYKNSA-N	-1	0	374.345	1.330	40	0		FDABRM
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000006823864	207170490	/nfs/dbraw/zinc/17/04/90/207170490.db2.gz	XBJPWUIUZSUXFV-UDVXPWBQSA-N	-1	0	363.753	1.234	40	0		FDABRM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)[O-]	ZINC000016899615	207601843	/nfs/dbraw/zinc/60/18/43/207601843.db2.gz	CSFKFVCTXAETKD-KGLIPLIRSA-N	-1	0	364.423	1.258	40	0		FDABRM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Oc1ccccc1C1N=NC(=S)O1	ZINC000036633742	208168237	/nfs/dbraw/zinc/16/82/37/208168237.db2.gz	JTIFEMSRMWEKEM-QMMMGPOBSA-N	-1	0	351.365	1.672	40	0		FDABRM
O=S(=O)([N-]c1nnc[nH]1)c1ccc(I)cc1	ZINC000061844916	208599337	/nfs/dbraw/zinc/59/93/37/208599337.db2.gz	RLLMJUGZDKGZFO-UHFFFAOYSA-N	-1	0	350.141	1.210	40	0		FDABRM
Cn1c2ccccc2c([O-])c([C@H]2NN=C3c4ccccc4N(C)C(=O)[C@@H]32)c1=O	ZINC000100361600	132232493	/nfs/dbraw/zinc/23/24/93/132232493.db2.gz	SKVUSAKIFXNQAN-YJBOKZPZSA-N	-1	0	374.400	1.885	40	0		FDABRM
CC1(C)S[C@@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000005415554	263341000	/nfs/dbraw/zinc/34/10/00/263341000.db2.gz	UVSYGDAIZHLVBZ-JFGNBEQYSA-N	-1	0	369.830	1.977	40	0		FDABRM
CCCNC(=O)CSc1nnc2c3cc(C)ccc3n(CC(=O)[O-])c2n1	ZINC000004898915	518317544	/nfs/dbraw/zinc/31/75/44/518317544.db2.gz	WTAKWVADHPJMJG-UHFFFAOYSA-N	-1	0	373.438	1.991	40	0		FDABRM
C[C@@H](C(=O)[O-])n1ccc2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)ccc21	ZINC000006956520	518395055	/nfs/dbraw/zinc/39/50/55/518395055.db2.gz	ILJWOMFWRQRQNL-JTQLQIEISA-N	-1	0	371.418	1.886	40	0		FDABRM
O=C([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1	ZINC000031153514	519413922	/nfs/dbraw/zinc/41/39/22/519413922.db2.gz	RITRIIONKIQVRC-HIFRSBDPSA-N	-1	0	367.365	1.533	40	0	biogenic,in-vitro	FDABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000032646510	519520366	/nfs/dbraw/zinc/52/03/66/519520366.db2.gz	PCYUPUYLOGMPHJ-WBVHZDCISA-N	-1	0	352.390	1.852	40	0		FDABRM
CCCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000217650635	520226227	/nfs/dbraw/zinc/22/62/27/520226227.db2.gz	QCMZILIZIOOVPO-UHFFFAOYSA-N	-1	0	356.444	1.690	40	0		FDABRM
COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1OC	ZINC000262775738	537254452	/nfs/dbraw/zinc/25/44/52/537254452.db2.gz	BPZHDXIKGJREDO-SNVBAGLBSA-N	-1	0	363.819	1.985	40	0		FDABRM
COc1ccc(CCNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])cc1	ZINC000217535666	537455960	/nfs/dbraw/zinc/45/59/60/537455960.db2.gz	OXHRMMNBNLPKFZ-UHFFFAOYSA-N	-1	0	350.396	1.695	40	0		FDABRM
O=C([O-])[C@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218505060	537463234	/nfs/dbraw/zinc/46/32/34/537463234.db2.gz	NQRJUERJIVZLHG-YQQAZPJKSA-N	-1	0	350.367	1.829	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC)s1	ZINC000224281126	537539696	/nfs/dbraw/zinc/53/96/96/537539696.db2.gz	BRJNOHZKJWBWPI-SECBINFHSA-N	-1	0	370.456	1.935	40	0		FDABRM
O=C(NC1CCCC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21	ZINC000575402596	550460306	/nfs/dbraw/zinc/46/03/06/550460306.db2.gz	CHUXXKRUEJGZIF-QGZVFWFLSA-N	-1	0	354.410	1.845	40	0		FDABRM
COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000408597688	570574389	/nfs/dbraw/zinc/57/43/89/570574389.db2.gz	VUWCPSWZCFIDHM-WEVVVXLNSA-N	-1	0	355.144	1.435	40	0		FDABRM
CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O)OCO2	ZINC000409136892	570731219	/nfs/dbraw/zinc/73/12/19/570731219.db2.gz	YXCDNFGDAAOZCC-UUILKARUSA-N	-1	0	351.336	1.935	40	0		FDABRM
O=C([O-])CNc1nc(Nc2cc(F)ccc2F)cc(-c2ccccn2)n1	ZINC000328993823	571106625	/nfs/dbraw/zinc/10/66/25/571106625.db2.gz	JCSVIFUQHQNMRQ-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1	ZINC000281717378	571145369	/nfs/dbraw/zinc/14/53/69/571145369.db2.gz	CWFRKDGYRNBGMK-VIFPVBQESA-N	-1	0	360.819	1.314	40	0		FDABRM
CS(=O)(=O)N1CCC(c2nccnc2-c2cccc(C(=O)[O-])c2)CC1	ZINC000257243034	571153527	/nfs/dbraw/zinc/15/35/27/571153527.db2.gz	IFFYWZJPQYYIAU-UHFFFAOYSA-N	-1	0	361.423	1.981	40	0		FDABRM
O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccc(N2CCCC2=O)cc1	ZINC000655601012	809672790	/nfs/dbraw/zinc/67/27/90/809672790.db2.gz	CSALDYBEYPCAFY-MRXNPFEDSA-N	-1	0	353.378	1.634	40	0		FDABRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(Cl)cc1OC	ZINC000643972320	975324403	/nfs/dbraw/zinc/32/44/03/975324403.db2.gz	OKAVTSOMRFDUPU-CQSZACIVSA-N	-1	0	363.819	1.603	40	0		FDABRM
O=C(NCc1cc(=O)n2[n-]c(C3CCOCC3)cc2n1)c1cccnc1	ZINC000100769344	209217640	/nfs/dbraw/zinc/21/76/40/209217640.db2.gz	HXUPGZWIOQDTLS-UHFFFAOYSA-N	-1	0	353.382	1.654	40	0		FDABRM
Cc1nc2cc(C3CCN(C(=O)c4ccnn4C)CC3)[n-]n2c(=O)c1C	ZINC000100137364	209208915	/nfs/dbraw/zinc/20/89/15/209208915.db2.gz	MSYOQUMTJPKADJ-UHFFFAOYSA-N	-1	0	354.414	1.805	40	0		FDABRM
COc1cc(-c2nnc3n2NC=C(C(=O)[O-])S3)cc(OC)c1OC	ZINC000001626791	206889185	/nfs/dbraw/zinc/88/91/85/206889185.db2.gz	HRYSWUAJRBJUIP-UHFFFAOYSA-N	-1	0	350.356	1.546	40	0		FDABRM
COc1ccc2sc(N3C[C@]45C=C[C@H](O4)[C@H](C(=O)[O-])[C@@H]5C3=O)nc2c1	ZINC000005346138	207094158	/nfs/dbraw/zinc/09/41/58/207094158.db2.gz	ZTKYSQQEFVALOZ-AKENFEQQSA-N	-1	0	358.375	1.676	40	0		FDABRM
CCc1ccccc1N1C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000016899727	207601641	/nfs/dbraw/zinc/60/16/41/207601641.db2.gz	QAGMTQJEGQWSIB-JSGCOSHPSA-N	-1	0	364.423	1.203	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)s1	ZINC000036182867	208148547	/nfs/dbraw/zinc/14/85/47/208148547.db2.gz	AOLQJVIJDRRFCK-UHFFFAOYSA-N	-1	0	355.401	1.256	40	0		FDABRM
O=C([O-])[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000547554307	542372385	/nfs/dbraw/zinc/37/23/85/542372385.db2.gz	KSFZABDZNJNSIR-SWLSCSKDSA-N	-1	0	365.411	1.030	40	0		FDABRM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000004535361	518302797	/nfs/dbraw/zinc/30/27/97/518302797.db2.gz	NXEMZXBNHFUICE-LLVKDONJSA-N	-1	0	365.773	1.752	40	0		FDABRM
CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)-c1ccccc1C2=O)C(=O)[O-]	ZINC000005431450	518344967	/nfs/dbraw/zinc/34/49/67/518344967.db2.gz	BOYWLMZPQOQQHS-MRXNPFEDSA-N	-1	0	352.346	1.816	40	0		FDABRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1OC	ZINC000006953793	518394930	/nfs/dbraw/zinc/39/49/30/518394930.db2.gz	KNUWVLDVIUMSPX-MDWZMJQESA-N	-1	0	353.334	1.765	40	0		FDABRM
O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ncccn1	ZINC000013564822	518660013	/nfs/dbraw/zinc/66/00/13/518660013.db2.gz	LWCWQWZEOYGLNA-UHFFFAOYSA-N	-1	0	355.379	1.459	40	0		FDABRM
CCc1nn2c([n-]1)nc(CSc1nnnn1-c1ccccc1)cc2=O	ZINC000017073287	518775348	/nfs/dbraw/zinc/77/53/48/518775348.db2.gz	VHDVXHNWBFCFFJ-UHFFFAOYSA-N	-1	0	354.399	1.248	40	0		FDABRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)NC(=O)C(C(N)=O)=C1C	ZINC000018996501	518801202	/nfs/dbraw/zinc/80/12/02/518801202.db2.gz	DLKPLUACSYRBTO-JYRVWZFOSA-N	-1	0	366.377	1.036	40	0		FDABRM
C[C@@]1(C(=O)c2ccccc2N)[C@H](C(=O)NCc2ccncc2)[C@@H]1C(=O)[O-]	ZINC000019576116	518818442	/nfs/dbraw/zinc/81/84/42/518818442.db2.gz	GRDRKKVVKNPIEL-QMTMVMCOSA-N	-1	0	353.378	1.500	40	0		FDABRM
COc1cccc(CN2CCN(C(=O)c3nn(C)cc3C(=O)[O-])CC2)c1	ZINC000020614884	518854187	/nfs/dbraw/zinc/85/41/87/518854187.db2.gz	LKMTYGSJMNGMBO-UHFFFAOYSA-N	-1	0	358.398	1.085	40	0		FDABRM
COC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1	ZINC000217502582	522627943	/nfs/dbraw/zinc/62/79/43/522627943.db2.gz	VPYIJJLIHINXOC-AAEUAGOBSA-N	-1	0	372.443	1.289	40	0		FDABRM
COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)[O-])CS2)c(O)c1	ZINC000084466381	524013131	/nfs/dbraw/zinc/01/31/31/524013131.db2.gz	YASYAEVZKXPYIZ-MRXNPFEDSA-N	-1	0	355.412	1.771	40	0		FDABRM
CC(C)(C)[C@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	ZINC000096024637	525122021	/nfs/dbraw/zinc/12/20/21/525122021.db2.gz	IVHZMDPVHMCCKJ-MRXNPFEDSA-N	-1	0	374.441	1.921	40	0	in-vitro	FDABRM
O=C([O-])CCCCCN(C(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000217375816	537454056	/nfs/dbraw/zinc/45/40/56/537454056.db2.gz	CSZIXIFYALUMAN-MRXNPFEDSA-N	-1	0	367.467	1.890	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)s1	ZINC000225170939	537543387	/nfs/dbraw/zinc/54/33/87/537543387.db2.gz	FUNUVMPKICINJX-UHFFFAOYSA-N	-1	0	370.456	1.471	40	0		FDABRM
CSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)s1	ZINC000225822887	537561992	/nfs/dbraw/zinc/56/19/92/537561992.db2.gz	TYXIAHAOJOKQKJ-UHFFFAOYSA-N	-1	0	370.481	1.970	40	0		FDABRM
COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCOC(C)C	ZINC000217466864	568186148	/nfs/dbraw/zinc/18/61/48/568186148.db2.gz	MOGOBABVBYQLBP-UHFFFAOYSA-N	-1	0	374.459	1.537	40	0		FDABRM
CN1C(=O)SC(=Cc2c(=O)[n-]c(=S)n(-c3ccccc3)c2O)C1=O	ZINC000408812585	570689288	/nfs/dbraw/zinc/68/92/88/570689288.db2.gz	NKZCYMGJYLTDAA-SBMLRHLQSA-N	-1	0	361.404	1.260	40	0		FDABRM
O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)Cc1cccc2cccnc21	ZINC000647928109	570760672	/nfs/dbraw/zinc/76/06/72/570760672.db2.gz	DWWXDSAXFILWAR-INIZCTEOSA-N	-1	0	371.418	1.745	40	0		FDABRM
CN(C)C(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCN1C	ZINC000257211734	571150647	/nfs/dbraw/zinc/15/06/47/571150647.db2.gz	CAEOLTSLAHZWSH-QGZVFWFLSA-N	-1	0	371.437	1.849	40	0		FDABRM
O=C(c1noc2c1CCCC2)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1	ZINC000257289474	571158728	/nfs/dbraw/zinc/15/87/28/571158728.db2.gz	PYTSRYMXTNLKTH-CYBMUJFWSA-N	-1	0	358.398	1.523	40	0		FDABRM
O=C([O-])c1nn(-c2ccc(Br)cc2)nc1N1CCOCC1	ZINC000256048747	571321610	/nfs/dbraw/zinc/32/16/10/571321610.db2.gz	VXWGXAGLQSIQKC-UHFFFAOYSA-N	-1	0	353.176	1.565	40	0		FDABRM
CNc1nccnc1[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC000257270024	571321762	/nfs/dbraw/zinc/32/17/62/571321762.db2.gz	MSMQPRYSLPMUJT-OAHLLOKOSA-N	-1	0	358.398	1.555	40	0		FDABRM
CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257206094	209962846	/nfs/dbraw/zinc/96/28/46/209962846.db2.gz	BBUYXNUWNXXMJW-CQSZACIVSA-N	-1	0	361.423	1.981	40	0		FDABRM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000013323609	209579113	/nfs/dbraw/zinc/57/91/13/209579113.db2.gz	JJZSZXFHCWNAEX-PMPSAXMXSA-N	-1	0	364.442	1.283	40	0		FDABRM
O=C(c1cccnc1)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1	ZINC000100745125	209217086	/nfs/dbraw/zinc/21/70/86/209217086.db2.gz	JLFZUEYJXKEHOP-CYBMUJFWSA-N	-1	0	363.377	1.975	40	0		FDABRM
Cc1nonc1CC(=O)N1CCC[C@H](c2cc3nc(C)cc(=O)n3[n-]2)C1	ZINC000100137880	209209121	/nfs/dbraw/zinc/20/91/21/209209121.db2.gz	QRBMBLKBKBXKJF-LBPRGKRZSA-N	-1	0	356.386	1.383	40	0		FDABRM
COc1cccc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)c1	ZINC000329065469	206730360	/nfs/dbraw/zinc/73/03/60/206730360.db2.gz	XRZLZPVIDISRSI-UHFFFAOYSA-N	-1	0	351.366	1.631	40	0		FDABRM
C=CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(C)=O)[n-]n3c(=O)c2C1	ZINC000019017260	207637604	/nfs/dbraw/zinc/63/76/04/207637604.db2.gz	PGMLQFLBENDDMY-INIZCTEOSA-N	-1	0	369.425	1.579	40	0		FDABRM
Nc1cc(S(=O)(=O)C(F)(F)F)cc(I)c1[O-]	ZINC000094986262	209018880	/nfs/dbraw/zinc/01/88/80/209018880.db2.gz	PXAGOHJOFCUKER-UHFFFAOYSA-N	-1	0	367.086	1.873	40	0		FDABRM
O=C([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1	ZINC000217500964	132272073	/nfs/dbraw/zinc/27/20/73/132272073.db2.gz	IKUIALJEYAOLFU-AWEZNQCLSA-N	-1	0	368.455	1.832	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000217667266	132272441	/nfs/dbraw/zinc/27/24/41/132272441.db2.gz	JJPIJVVTRFFRBY-LBPRGKRZSA-N	-1	0	356.444	1.688	40	0		FDABRM
O=C([O-])CCCC(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1	ZINC000257283158	132296331	/nfs/dbraw/zinc/29/63/31/132296331.db2.gz	OWXUWFMEGQKGJP-UHFFFAOYSA-N	-1	0	372.425	1.332	40	0		FDABRM
COc1ccc2cc(C(=O)NCCCC(=O)[O-])sc(=O)c2c1OC	ZINC000002668731	518246963	/nfs/dbraw/zinc/24/69/63/518246963.db2.gz	HVTLBJRLPIWECI-UHFFFAOYSA-N	-1	0	351.380	1.873	40	0		FDABRM
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cn3ccnc3)[n-]n2c1=O	ZINC000012221274	518596113	/nfs/dbraw/zinc/59/61/13/518596113.db2.gz	CQGOOCSXAZPOBN-OAHLLOKOSA-N	-1	0	354.414	1.866	40	0		FDABRM
COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1OC	ZINC000013576854	518663337	/nfs/dbraw/zinc/66/33/37/518663337.db2.gz	FVDHBXQOSUJIFW-PSLQGDIJSA-N	-1	0	359.378	1.113	40	0		FDABRM
O=C([O-])[C@@H]1CS[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1	ZINC000013636875	518663877	/nfs/dbraw/zinc/66/38/77/518663877.db2.gz	MNGNIHLMTZCEOY-UWVGGRQHSA-N	-1	0	362.329	1.719	40	0		FDABRM
O=C([O-])[C@H]1CS[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1	ZINC000020635135	518855506	/nfs/dbraw/zinc/85/55/06/518855506.db2.gz	MFAVDFJJNUTTEO-NXEZZACHSA-N	-1	0	362.329	1.719	40	0		FDABRM
CC1=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C	ZINC000022067382	518890061	/nfs/dbraw/zinc/89/00/61/518890061.db2.gz	IJNKOCJUWUUMCV-UHFFFAOYSA-O	-1	0	362.449	1.607	40	0	in-vitro	FDABRM
CC(C)c1ccc(Cc2n[n-]c(NCCN3CCOCC3)nc2=O)cc1	ZINC000022996389	518924876	/nfs/dbraw/zinc/92/48/76/518924876.db2.gz	WYXOFUYYJGQHAB-UHFFFAOYSA-N	-1	0	357.458	1.623	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2cccc(C)c2)s1	ZINC000074554313	522797450	/nfs/dbraw/zinc/79/74/50/522797450.db2.gz	BBZCUXNMQJOEMS-UHFFFAOYSA-N	-1	0	354.457	1.716	40	0		FDABRM
CC(C)(C)[C@@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	ZINC000096024639	525122360	/nfs/dbraw/zinc/12/23/60/525122360.db2.gz	IVHZMDPVHMCCKJ-INIZCTEOSA-N	-1	0	374.441	1.921	40	0	in-vitro	FDABRM
COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217666415	537455074	/nfs/dbraw/zinc/45/50/74/537455074.db2.gz	JPMFUSCMAOYKKJ-LLVKDONJSA-N	-1	0	368.411	1.903	40	0		FDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000223646801	537531935	/nfs/dbraw/zinc/53/19/35/537531935.db2.gz	BUEBYNYCCDZWNM-UHFFFAOYSA-N	-1	0	350.396	1.864	40	0		FDABRM
CN1C(=O)N/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000409190095	570737652	/nfs/dbraw/zinc/73/76/52/570737652.db2.gz	WGRIMSVIXGOXLG-WEVVVXLNSA-N	-1	0	355.144	1.435	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257270053	571156383	/nfs/dbraw/zinc/15/63/83/571156383.db2.gz	MSPBHZNJZFEMHS-LBPRGKRZSA-N	-1	0	356.382	1.274	40	0		FDABRM
Cc1cc(-c2cccc(C(=O)[O-])c2)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257336602	210002868	/nfs/dbraw/zinc/00/28/68/210002868.db2.gz	YPEJQWZIWKXYJE-CQSZACIVSA-N	-1	0	361.423	1.899	40	0		FDABRM
O=C([O-])c1ccc(NCCO)c(S(=O)(=O)NC2CCCCCC2)c1	ZINC000217450974	209657041	/nfs/dbraw/zinc/65/70/41/209657041.db2.gz	VBVOEUOEQOABHO-UHFFFAOYSA-N	-1	0	356.444	1.790	40	0		FDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)COC	ZINC000217533754	209656210	/nfs/dbraw/zinc/65/62/10/209656210.db2.gz	STXWSQOQZCHZLV-LBPRGKRZSA-N	-1	0	374.459	1.537	40	0		FDABRM
CCn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)c(C)n1	ZINC000257295980	223054679	/nfs/dbraw/zinc/05/46/79/223054679.db2.gz	RARHVODNQBFUNY-HZPDHXFCSA-N	-1	0	359.382	1.174	40	0		FDABRM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000004044097	209409233	/nfs/dbraw/zinc/40/92/33/209409233.db2.gz	MPMGYYYSXBITBB-ZBBIYILVSA-N	-1	0	353.374	1.826	40	0		FDABRM
COc1ccc(-c2nnc([C@H]3CCN(C(=O)COCC(=O)[O-])C3)o2)cc1	ZINC000049170920	209334619	/nfs/dbraw/zinc/33/46/19/209334619.db2.gz	VXHLIVJUIAQASU-LBPRGKRZSA-N	-1	0	361.354	1.162	40	0	biogenic,in-vitro	FDABRM
CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)[O-])cc32)n1	ZINC000101945720	209230414	/nfs/dbraw/zinc/23/04/14/209230414.db2.gz	TWSPEMHIEXLCDH-GFCCVEGCSA-N	-1	0	350.400	1.469	40	0		FDABRM
CCOP(=O)(OCC)C(C(=O)OC)=C([O-])C(=O)Nc1cccc(O)c1	ZINC000005838902	207119382	/nfs/dbraw/zinc/11/93/82/207119382.db2.gz	JPCOBXXWQUIDQT-ZDUSSCGKSA-N	-1	0	373.298	1.708	40	0		FDABRM
COc1ccc([C@@H](Cc2ccccc2)C2(O)C(=O)[N-]C(=O)NC2=O)cc1	ZINC000006411356	207138831	/nfs/dbraw/zinc/13/88/31/207138831.db2.gz	UUMIUSRDNTYCEK-OAHLLOKOSA-N	-1	0	354.362	1.119	40	0		FDABRM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1	ZINC000045958099	132375427	/nfs/dbraw/zinc/37/54/27/132375427.db2.gz	YWWCSKZFPJCRAX-SNVBAGLBSA-N	-1	0	369.215	1.723	40	0		FDABRM
Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1	ZINC000000537969	518216743	/nfs/dbraw/zinc/21/67/43/518216743.db2.gz	ZAHQBPYQBHTECE-NSHDSACASA-N	-1	0	351.409	1.276	40	0		FDABRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cs1	ZINC000006681544	518383402	/nfs/dbraw/zinc/38/34/02/518383402.db2.gz	OMYOTSGZWUOEFF-UHFFFAOYSA-N	-1	0	356.425	1.926	40	0		FDABRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1NC(=O)c1ccccc1	ZINC000008334744	518469914	/nfs/dbraw/zinc/46/99/14/518469914.db2.gz	JWABVDLSVOPFNL-UHFFFAOYSA-N	-1	0	352.350	1.238	40	0		FDABRM
COc1ccc(OC)c(N2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000018063867	518790309	/nfs/dbraw/zinc/79/03/09/518790309.db2.gz	YTKZBUFYNBUYRY-AWEZNQCLSA-N	-1	0	362.382	1.132	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(OC)c1	ZINC000032081874	519479244	/nfs/dbraw/zinc/47/92/44/519479244.db2.gz	JUCJDQVZDXYGRX-UHFFFAOYSA-N	-1	0	350.396	1.912	40	0		FDABRM
CC(C)OCCCNc1ccc(S(=O)(=O)NCCCO)cc1C(=O)[O-]	ZINC000217595163	519764480	/nfs/dbraw/zinc/76/44/80/519764480.db2.gz	ZNDYLXNZGQSKSG-UHFFFAOYSA-N	-1	0	374.459	1.273	40	0		FDABRM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCN2S(=O)(=O)N(C)C)n1	ZINC000072360306	522225131	/nfs/dbraw/zinc/22/51/31/522225131.db2.gz	WEFNAFMAABSKNA-LLVKDONJSA-N	-1	0	369.476	1.323	40	0		FDABRM
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH]c1=O	ZINC000224968781	537542792	/nfs/dbraw/zinc/54/27/92/537542792.db2.gz	HMROEHSUGXAEPW-NSHDSACASA-N	-1	0	363.395	1.036	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)CCC(=O)[O-])C=C1COC(=O)[C@]12O	ZINC000514288275	560035353	/nfs/dbraw/zinc/03/53/53/560035353.db2.gz	AHQLBRAJSCUBQQ-GWMUQRIZSA-N	-1	0	366.410	1.824	40	0	biogenic,in-vitro	FDABRM
O=C([O-])CNc1nc(Nc2ccc3c(c2)OCO3)cc(C(F)(F)F)n1	ZINC000329022175	571107597	/nfs/dbraw/zinc/10/75/97/571107597.db2.gz	OLMKOWPOWOLBHU-UHFFFAOYSA-N	-1	0	356.260	1.308	40	0		FDABRM
O=C(c1ccno1)N1CCO[C@@H](c2cccc([N-]c3nncs3)n2)C1	ZINC000257269881	571156366	/nfs/dbraw/zinc/15/63/66/571156366.db2.gz	MRUNFPGJZAORBC-GFCCVEGCSA-N	-1	0	358.383	1.878	40	0		FDABRM
CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257308875	571160427	/nfs/dbraw/zinc/16/04/27/571160427.db2.gz	TYOXGUGJFRUBBC-LLVKDONJSA-N	-1	0	362.411	1.376	40	0		FDABRM
O=C([O-])c1cccc2c1N(S(=O)(=O)c1cnn(CC(F)F)c1)CC2	ZINC000282317304	571312420	/nfs/dbraw/zinc/31/24/20/571312420.db2.gz	ODOUDBWFNFKWMU-UHFFFAOYSA-N	-1	0	357.338	1.598	40	0		FDABRM
COc1ccccc1C(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1	ZINC000257247723	209976363	/nfs/dbraw/zinc/97/63/63/209976363.db2.gz	JAEAYBNUGMLOIV-NVXWUHKLSA-N	-1	0	357.362	1.658	40	0		FDABRM
CCc1c(C)nc2cc(C3CCN(C(=O)c4cn[nH]n4)CC3)[n-]n2c1=O	ZINC000100137576	209208565	/nfs/dbraw/zinc/20/85/65/209208565.db2.gz	LGYSGZWMWDSODA-UHFFFAOYSA-N	-1	0	355.402	1.444	40	0		FDABRM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1ccc(N(C)C)cc1)CC2	ZINC000096157058	209125895	/nfs/dbraw/zinc/12/58/95/209125895.db2.gz	BROWALSQFAGHPO-QGZVFWFLSA-N	-1	0	373.453	1.680	40	0		FDABRM
CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000016577289	220187872	/nfs/dbraw/zinc/18/78/72/220187872.db2.gz	LTLGHWWAISDESV-HOSYDEDBSA-N	-1	0	369.830	1.977	40	0		FDABRM
C[C@@H]1Cc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1	ZINC000005260601	207090217	/nfs/dbraw/zinc/09/02/17/207090217.db2.gz	DAEYIVCTQUFNTM-IAQYHMDHSA-N	-1	0	369.373	1.919	40	0	endogenous,in-man	FDABRM
COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000005248585	207090715	/nfs/dbraw/zinc/09/07/15/207090715.db2.gz	LHMHDOPIYYXELT-QOBDMFJFSA-N	-1	0	353.758	1.950	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1	ZINC000006741679	207159785	/nfs/dbraw/zinc/15/97/85/207159785.db2.gz	AGMFVBZHNYTSQB-ATLSCFEFSA-N	-1	0	358.413	1.993	40	0		FDABRM
O=C(CCn1[n-]c(=O)ccc1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000012116103	207340198	/nfs/dbraw/zinc/34/01/98/207340198.db2.gz	RPXYOCMYIYGQFG-CQSZACIVSA-N	-1	0	353.382	1.579	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c(OC)c1	ZINC000036182853	208148902	/nfs/dbraw/zinc/14/89/02/208148902.db2.gz	GJGMKDVULFJJSS-UHFFFAOYSA-N	-1	0	358.401	1.315	40	0		FDABRM
CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)/C=C/C(=O)[O-]	ZINC000257277956	132296272	/nfs/dbraw/zinc/29/62/72/132296272.db2.gz	OADKITUXQRWJNX-GNAXCBTBSA-N	-1	0	370.409	1.060	40	0		FDABRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	ZINC000257300070	132296813	/nfs/dbraw/zinc/29/68/13/132296813.db2.gz	RSTGTYQLPBYRIC-UHFFFAOYSA-N	-1	0	364.398	1.781	40	0		FDABRM
C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000003831307	518278938	/nfs/dbraw/zinc/27/89/38/518278938.db2.gz	NONJJLVGHLVQQM-SDBHATRESA-N	-1	0	364.423	1.086	40	0		FDABRM
C[C@H]1C(=O)[C@@H](C)[C@@H]2N(C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@]32O4)[C@@H]1c1ccco1	ZINC000004040867	518283772	/nfs/dbraw/zinc/28/37/72/518283772.db2.gz	LXIQMFKOABADKQ-WWKFEUJKSA-N	-1	0	357.362	1.411	40	0		FDABRM
Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000004044099	518285110	/nfs/dbraw/zinc/28/51/10/518285110.db2.gz	MPMGYYYSXBITBB-UGIWWLGZSA-N	-1	0	353.374	1.826	40	0		FDABRM
CCc1nc(SC(=Cc2ccc3c(c2)n(C)c(=O)n3C)C(=O)[O-])n[nH]1	ZINC000007342534	518416454	/nfs/dbraw/zinc/41/64/54/518416454.db2.gz	FISCXPZNWBPHAJ-WQLSENKSSA-N	-1	0	359.411	1.775	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000013320922	518657582	/nfs/dbraw/zinc/65/75/82/518657582.db2.gz	ZITSWVTWVKXAFX-FSDCSDTHSA-N	-1	0	372.421	1.844	40	0		FDABRM
O=C([C@@H]1CCCO1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000019375622	518810874	/nfs/dbraw/zinc/81/08/74/518810874.db2.gz	DGQLQHYALHQQPQ-OCCSQVGLSA-N	-1	0	363.439	1.426	40	0		FDABRM
COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(F)c(=O)[n-]2)on1	ZINC000019579249	518818451	/nfs/dbraw/zinc/81/84/51/518818451.db2.gz	KWIKPUVQUNOOHK-NSHDSACASA-N	-1	0	350.350	1.510	40	0		FDABRM
COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[n-]2)on1	ZINC000019579246	518819496	/nfs/dbraw/zinc/81/94/96/518819496.db2.gz	KWIKPUVQUNOOHK-LLVKDONJSA-N	-1	0	350.350	1.510	40	0		FDABRM
O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000020152516	518844927	/nfs/dbraw/zinc/84/49/27/518844927.db2.gz	MYIACMYQVRIITQ-UHFFFAOYSA-N	-1	0	372.402	1.961	40	0		FDABRM
Cc1cc(=O)n2nc(CC(=O)N3CC[C@@H](c4ccccc4)[C@H](O)C3)[n-]c2n1	ZINC000072346658	522219890	/nfs/dbraw/zinc/21/98/90/522219890.db2.gz	PIVJEOPPWNOGQM-LSDHHAIUSA-N	-1	0	367.409	1.058	40	0		FDABRM
CCOc1ccc(C(=O)NC(=S)[N-]n2c(C)nnc2SC)cc1	ZINC000108049446	525931566	/nfs/dbraw/zinc/93/15/66/525931566.db2.gz	GWWAWEWUANIRSW-UHFFFAOYSA-N	-1	0	351.457	1.966	40	0		FDABRM
CCOCCCNc1ccc(S(=O)(=O)NCCOC)cc1C(=O)[O-]	ZINC000217598791	537455031	/nfs/dbraw/zinc/45/50/31/537455031.db2.gz	VHRAIXPNSNHNGH-UHFFFAOYSA-N	-1	0	360.432	1.148	40	0		FDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)COC	ZINC000217533819	537455999	/nfs/dbraw/zinc/45/59/99/537455999.db2.gz	STXWSQOQZCHZLV-GFCCVEGCSA-N	-1	0	374.459	1.537	40	0		FDABRM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1	ZINC000223301264	537523432	/nfs/dbraw/zinc/52/34/32/537523432.db2.gz	SOQHMFWVQYOTJJ-UHFFFAOYSA-N	-1	0	367.452	1.687	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)s1	ZINC000225726031	537558422	/nfs/dbraw/zinc/55/84/22/537558422.db2.gz	DAWOXQHXKSVNPF-UHFFFAOYSA-N	-1	0	370.412	1.094	40	0		FDABRM
Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1n[nH]cc1S(C)(=O)=O	ZINC000257237462	571153105	/nfs/dbraw/zinc/15/31/05/571153105.db2.gz	HGOKRMGUKLELCS-LBPRGKRZSA-N	-1	0	351.432	1.223	40	0		FDABRM
CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000257289584	571158762	/nfs/dbraw/zinc/15/87/62/571158762.db2.gz	PZHJBXVDZOVIJU-JTQLQIEISA-N	-1	0	359.411	1.319	40	0		FDABRM
O=C([O-])COc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1	ZINC000254791335	571292008	/nfs/dbraw/zinc/29/20/08/571292008.db2.gz	HVPNZKRHSHSVTH-UHFFFAOYSA-N	-1	0	352.371	1.920	40	0		FDABRM
Cc1cc(C)n(-c2ccc(NCc3c([O-])n(C)c(=O)n(C)c3=O)cc2)n1	ZINC000100780268	209217732	/nfs/dbraw/zinc/21/77/32/209217732.db2.gz	ZIUSNZTWQKEJJO-UHFFFAOYSA-N	-1	0	355.398	1.568	40	0		FDABRM
Cc1nc2cc([C@H]3CCCN(C(=O)CCn4cncn4)C3)[n-]n2c(=O)c1C	ZINC000100137700	209209482	/nfs/dbraw/zinc/20/94/82/209209482.db2.gz	OQUUVAXRAJVNGJ-AWEZNQCLSA-N	-1	0	369.429	1.440	40	0		FDABRM
C[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)C(=O)[O-]	ZINC000005593567	207107361	/nfs/dbraw/zinc/10/73/61/207107361.db2.gz	RYPYDCCATVFVDF-SNVBAGLBSA-N	-1	0	374.422	1.047	40	0		FDABRM
CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@@H](C)n3cncn3)[n-]n2c1=O	ZINC000012276323	207354403	/nfs/dbraw/zinc/35/44/03/207354403.db2.gz	NPCQZENWSFRBRE-DOMZBBRYSA-N	-1	0	369.429	1.822	40	0		FDABRM
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cn1C	ZINC000180908465	258378122	/nfs/dbraw/zinc/37/81/22/258378122.db2.gz	VLNFMSLAFGJGKH-UHFFFAOYSA-N	-1	0	354.432	1.813	40	0		FDABRM
N#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000006472871	518373177	/nfs/dbraw/zinc/37/31/77/518373177.db2.gz	NAVLVYNBKLXECY-XNTDXEJSSA-N	-1	0	351.318	1.844	40	0		FDABRM
[NH3+][C@@H](CC(=O)[O-])c1cnc([N-]S(=O)(=O)c2ccc3ccccc3c2)nc1	ZINC000008701489	518482797	/nfs/dbraw/zinc/48/27/97/518482797.db2.gz	QVNSNHXYXVHZBN-HNNXBMFYSA-N	-1	0	372.406	1.905	40	0		FDABRM
CCn1cc(Br)c(CN(C)C(=O)c2c(C(=O)[O-])cnn2C)n1	ZINC000036615521	519623742	/nfs/dbraw/zinc/62/37/42/519623742.db2.gz	UJGOQHINXWSEDM-UHFFFAOYSA-N	-1	0	370.207	1.369	40	0		FDABRM
CCN(Cc1noc(CCC(=O)[O-])n1)S(=O)(=O)c1ccc(C)cc1	ZINC000078400968	521470957	/nfs/dbraw/zinc/47/09/57/521470957.db2.gz	ACBSOZBAFIPUDT-UHFFFAOYSA-N	-1	0	353.400	1.606	40	0		FDABRM
O=C([O-])c1cccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000044804522	522007716	/nfs/dbraw/zinc/00/77/16/522007716.db2.gz	BZGJNXVTVQDKMF-OCCSQVGLSA-N	-1	0	374.418	1.355	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2ccccc2Br)[C@H]2C=C[C@@H]1O2	ZINC000169294324	525625589	/nfs/dbraw/zinc/62/55/89/525625589.db2.gz	ZFLPDMLARUAPFU-MROQNXINSA-N	-1	0	352.184	1.720	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCCO)ccc1NC1CCCCC1	ZINC000217593155	526355293	/nfs/dbraw/zinc/35/52/93/526355293.db2.gz	FGVDTXLCIUWGEN-UHFFFAOYSA-N	-1	0	356.444	1.790	40	0		FDABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1CCS(=O)(=O)C1	ZINC000217422558	527647913	/nfs/dbraw/zinc/64/79/13/527647913.db2.gz	OOLVASFBVSRBNH-IAQYHMDHSA-N	-1	0	364.423	1.105	40	0		FDABRM
COc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1F	ZINC000647927939	570760571	/nfs/dbraw/zinc/76/05/71/570760571.db2.gz	AKNFYLFGNIGNKQ-CYBMUJFWSA-N	-1	0	354.359	1.204	40	0		FDABRM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000041125005	209227266	/nfs/dbraw/zinc/22/72/66/209227266.db2.gz	MIIOEPHGVODRSP-UHFFFAOYSA-N	-1	0	363.351	1.442	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@H]3CCCN(C(=O)[C@@H](C)N4CCCC4=O)C3)cc2n1	ZINC000100137918	209208959	/nfs/dbraw/zinc/20/89/59/209208959.db2.gz	YAOSEVNRPXOGHN-KGLIPLIRSA-N	-1	0	371.441	1.460	40	0		FDABRM
Cn1c2ccc(C(=O)CSc3ncccc3C(=O)[O-])cc2n(C)c1=O	ZINC000012428044	207372926	/nfs/dbraw/zinc/37/29/26/207372926.db2.gz	FLMLCUDOHXUZMC-UHFFFAOYSA-N	-1	0	357.391	1.945	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1	ZINC000035898168	208138203	/nfs/dbraw/zinc/13/82/03/208138203.db2.gz	IPAVQMVJBOUHJL-CLWVCHIJSA-N	-1	0	357.341	1.663	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)ccc1N1CCOCC1	ZINC000217580824	132272394	/nfs/dbraw/zinc/27/23/94/132272394.db2.gz	GAAAOQDDOGQTDO-UHFFFAOYSA-N	-1	0	368.455	1.832	40	0		FDABRM
CC[C@@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@]2(CCOC2)O1	ZINC000368445099	260184208	/nfs/dbraw/zinc/18/42/08/260184208.db2.gz	FQDWIZMDSQDYHY-YGRLFVJLSA-N	-1	0	361.441	1.405	40	0		FDABRM
CCOP(=O)(OCC)C(C(=O)OC)=C([O-])C(=O)Nc1cccc(O)c1	ZINC000001631444	518234525	/nfs/dbraw/zinc/23/45/25/518234525.db2.gz	JPCOBXXWQUIDQT-CYBMUJFWSA-N	-1	0	373.298	1.708	40	0		FDABRM
CC1(C)S[C@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000005415761	518344583	/nfs/dbraw/zinc/34/45/83/518344583.db2.gz	UVSYGDAIZHLVBZ-FOGDFJRCSA-N	-1	0	369.830	1.977	40	0		FDABRM
NC(=O)NCCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-]	ZINC000005949341	518358817	/nfs/dbraw/zinc/35/88/17/518358817.db2.gz	HUBNETMUUPYXBP-AWEZNQCLSA-N	-1	0	365.411	1.020	40	0		FDABRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000010302032	518534294	/nfs/dbraw/zinc/53/42/94/518534294.db2.gz	ZDOOYKDEUYOZKZ-UHFFFAOYSA-N	-1	0	360.388	1.283	40	0		FDABRM
CCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c1=O	ZINC000013407903	518658063	/nfs/dbraw/zinc/65/80/63/518658063.db2.gz	GMYFMEIBBQCVOB-UHFFFAOYSA-N	-1	0	350.400	1.954	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)N1CCCC1	ZINC000015676122	518729398	/nfs/dbraw/zinc/72/93/98/518729398.db2.gz	UALUUBFYUZTRPQ-AWEZNQCLSA-N	-1	0	362.430	1.176	40	0	biogenic,in-vitro	FDABRM
CCc1ccc(N2C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000016899747	518771978	/nfs/dbraw/zinc/77/19/78/518771978.db2.gz	NWCFXBHTDSKQPG-KBPBESRZSA-N	-1	0	364.423	1.203	40	0		FDABRM
CC(=O)N[C@H](Cc1cc(C)c(O)c(I)c1)C(=O)[O-]	ZINC000017004417	518772611	/nfs/dbraw/zinc/77/26/11/518772611.db2.gz	DZHRHKXOBCVTBR-SNVBAGLBSA-N	-1	0	363.151	1.437	40	0		FDABRM
CC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)CC1	ZINC000019016808	518800827	/nfs/dbraw/zinc/80/08/27/518800827.db2.gz	XJBFWPDQBQUJSW-UHFFFAOYSA-N	-1	0	357.414	1.065	40	0		FDABRM
CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(C)=O)[n-]n3c(=O)c2C1	ZINC000019017918	518800934	/nfs/dbraw/zinc/80/09/34/518800934.db2.gz	WHIZVZQELVPWOR-MRXNPFEDSA-N	-1	0	357.414	1.413	40	0		FDABRM
Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000027938613	519206427	/nfs/dbraw/zinc/20/64/27/519206427.db2.gz	FMWYMGRFOXETNI-UHFFFAOYSA-N	-1	0	363.424	1.930	40	0		FDABRM
CC(C)CN(Cc1noc(CCC(=O)[O-])n1)S(=O)(=O)c1ccccc1	ZINC000078400953	519718992	/nfs/dbraw/zinc/71/89/92/519718992.db2.gz	LBABLVCSNHGAIO-UHFFFAOYSA-N	-1	0	367.427	1.934	40	0		FDABRM
C[C@@](CNC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)[O-])c1ccccc1	ZINC000263237921	536998524	/nfs/dbraw/zinc/99/85/24/536998524.db2.gz	BVPBUAIBGCSJFQ-FQEVSTJZSA-N	-1	0	367.405	1.989	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1	ZINC000217533056	537456171	/nfs/dbraw/zinc/45/61/71/537456171.db2.gz	YFRFGPHQMIDODB-WCQYABFASA-N	-1	0	372.443	1.289	40	0		FDABRM
NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C(=O)[O-])c2)cc1	ZINC000217724708	537458047	/nfs/dbraw/zinc/45/80/47/537458047.db2.gz	WZAQCWDGOOPCJH-UHFFFAOYSA-N	-1	0	350.352	1.050	40	0		FDABRM
CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1	ZINC000324825617	537621574	/nfs/dbraw/zinc/62/15/74/537621574.db2.gz	XNWNWHFQBNQOGR-ZDUSSCGKSA-N	-1	0	354.428	1.829	40	0		FDABRM
O=C(CC1CC1)NC[C@@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1	ZINC000575403216	550460085	/nfs/dbraw/zinc/46/00/85/550460085.db2.gz	GPPAKTCYBXQTSY-HNNXBMFYSA-N	-1	0	358.438	1.930	40	0		FDABRM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000409065015	570718051	/nfs/dbraw/zinc/71/80/51/570718051.db2.gz	KFKBWQCEXBQVEG-SZUMLMDFSA-N	-1	0	365.363	1.748	40	0		FDABRM
COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(OC)c1	ZINC000409128449	570730176	/nfs/dbraw/zinc/73/01/76/570730176.db2.gz	FPESQJDRYKCHPS-WUXMJOGZSA-N	-1	0	353.352	1.833	40	0		FDABRM
O=C([O-])CNc1nc(Nc2c(F)ccc(F)c2F)cc(C(F)(F)F)n1	ZINC000329004785	571106810	/nfs/dbraw/zinc/10/68/10/571106810.db2.gz	KTNGKUZTIVXDCS-UHFFFAOYSA-N	-1	0	366.221	1.997	40	0		FDABRM
Cc1cnn(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)c1	ZINC000257277904	571157410	/nfs/dbraw/zinc/15/74/10/571157410.db2.gz	NZZBVEWYUCLQTL-GFCCVEGCSA-N	-1	0	351.432	1.072	40	0		FDABRM
Cc1nc(C)c(C(=O)N2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)s1	ZINC000257292257	571158713	/nfs/dbraw/zinc/15/87/13/571158713.db2.gz	QKROAZFWUYORKF-SNVBAGLBSA-N	-1	0	354.457	1.516	40	0		FDABRM
NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c1	ZINC000281717375	571174642	/nfs/dbraw/zinc/17/46/42/571174642.db2.gz	CWFRKDGYRNBGMK-SECBINFHSA-N	-1	0	360.819	1.314	40	0		FDABRM
O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000257340539	210002188	/nfs/dbraw/zinc/00/21/88/210002188.db2.gz	ZGPZTBIMRXFPGQ-RTBURBONSA-N	-1	0	368.389	1.356	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)C1	ZINC000257327543	209999899	/nfs/dbraw/zinc/99/98/99/209999899.db2.gz	XBTULABZPFSGHX-LBPRGKRZSA-N	-1	0	356.382	1.274	40	0		FDABRM
Cc1nc(-c2ccc(C(=O)[O-])cc2)cc([C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257218831	209967925	/nfs/dbraw/zinc/96/79/25/209967925.db2.gz	DENSSSVRNWKVJQ-CQSZACIVSA-N	-1	0	361.423	1.899	40	0		FDABRM
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[nH]c1=O	ZINC000224968737	209794945	/nfs/dbraw/zinc/79/49/45/209794945.db2.gz	HMROEHSUGXAEPW-LLVKDONJSA-N	-1	0	363.395	1.036	40	0		FDABRM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000101273664	209222831	/nfs/dbraw/zinc/22/28/31/209222831.db2.gz	QZXBDPLUBSEOKX-RYUDHWBXSA-N	-1	0	370.814	1.294	40	0		FDABRM
O=C(c1ccccn1)N1CC[C@@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1	ZINC000100745127	209217707	/nfs/dbraw/zinc/21/77/07/209217707.db2.gz	FAKPHSFTAZQVLI-GFCCVEGCSA-N	-1	0	363.377	1.975	40	0		FDABRM
O=C([O-])[C@H]1CS[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1	ZINC000013636878	207473979	/nfs/dbraw/zinc/47/39/79/207473979.db2.gz	MNGNIHLMTZCEOY-ZJUUUORDSA-N	-1	0	362.329	1.719	40	0		FDABRM
Nc1ncnc2c1n1c(SCC(=O)[O-])nnc1n2Cc1ccccc1	ZINC000085397321	208963363	/nfs/dbraw/zinc/96/33/63/208963363.db2.gz	GKEOOEOFGDIIHE-UHFFFAOYSA-N	-1	0	355.383	1.281	40	0		FDABRM
Cn1c2ccccc2c([O-])c([C@@H]2NN=C3c4ccccc4N(C)C(=O)[C@H]32)c1=O	ZINC000100361615	132232421	/nfs/dbraw/zinc/23/24/21/132232421.db2.gz	SKVUSAKIFXNQAN-CRAIPNDOSA-N	-1	0	374.400	1.885	40	0		FDABRM
O=C([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NC2CCCC2)c1	ZINC000217445701	132272053	/nfs/dbraw/zinc/27/20/53/132272053.db2.gz	BWUDXYDZHLVFQW-UHFFFAOYSA-N	-1	0	354.428	1.442	40	0		FDABRM
CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)CCC(=O)[O-]	ZINC000257264787	132295844	/nfs/dbraw/zinc/29/58/44/132295844.db2.gz	LWAIXJOOQIMPGT-UHFFFAOYSA-N	-1	0	372.425	1.284	40	0		FDABRM
Cc1cc(S(=O)(=O)NC[C@@H](Cc2ccccn2)C(=O)[O-])sc1C	ZINC000570622829	549348919	/nfs/dbraw/zinc/34/89/19/549348919.db2.gz	MWMSMTJADWCSSR-GFCCVEGCSA-N	-1	0	354.453	1.982	40	0		FDABRM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002508275	518243854	/nfs/dbraw/zinc/24/38/54/518243854.db2.gz	LMNISZPMTXRXKN-ROUUACIJSA-N	-1	0	370.405	1.252	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccccc2Br)[C@H]2C=C[C@@H]1O2	ZINC000003983668	518282497	/nfs/dbraw/zinc/28/24/97/518282497.db2.gz	ZFLPDMLARUAPFU-VOAKCMCISA-N	-1	0	352.184	1.720	40	0		FDABRM
CSc1nnc(C)n1[N-]C(=S)NC(=O)c1ccc2c(c1)OCCO2	ZINC000006861493	518390487	/nfs/dbraw/zinc/39/04/87/518390487.db2.gz	VURTYQUZMXNJDE-UHFFFAOYSA-N	-1	0	365.440	1.338	40	0		FDABRM
COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3cccnc3)C1=O)OCO2	ZINC000006951962	518395271	/nfs/dbraw/zinc/39/52/71/518395271.db2.gz	RAFDTFMATRWYLH-LFYBBSHMSA-N	-1	0	367.317	1.485	40	0		FDABRM
CCN1c2ccccc2C(=N[N-]c2ncc(F)c(N3CCOCC3)n2)C1=O	ZINC000006953701	518395564	/nfs/dbraw/zinc/39/55/64/518395564.db2.gz	VYNGJDGHEKZPCD-JCMHNJIXSA-N	-1	0	370.388	1.635	40	0		FDABRM
COCCN(C)S(=O)(=O)c1csc(C(=O)[N-]c2nncs2)c1	ZINC000013996850	518670928	/nfs/dbraw/zinc/67/09/28/518670928.db2.gz	OFQRUJIMKVDVFI-UHFFFAOYSA-N	-1	0	362.458	1.119	40	0		FDABRM
Cc1cc(C(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)[O-])nn1C	ZINC000096296997	525157940	/nfs/dbraw/zinc/15/79/40/525157940.db2.gz	GKUHILTZORVBEY-SNVBAGLBSA-N	-1	0	355.354	1.968	40	0	biogenic,in-vitro	FDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1N1CCCCC1	ZINC000217634289	526356008	/nfs/dbraw/zinc/35/60/08/526356008.db2.gz	LXYZXSSINBTDMR-ZDUSSCGKSA-N	-1	0	368.455	1.832	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217666694	537455354	/nfs/dbraw/zinc/45/53/54/537455354.db2.gz	DEYGVGFPOVSUJK-RYUDHWBXSA-N	-1	0	372.443	1.289	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSc2ccccc2)s1	ZINC000222843646	537512680	/nfs/dbraw/zinc/51/26/80/537512680.db2.gz	VKHKCDIEZTVQLV-UHFFFAOYSA-N	-1	0	358.470	1.567	40	0		FDABRM
COCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000223488690	537526921	/nfs/dbraw/zinc/52/69/21/537526921.db2.gz	PLCFJYUWLDAFFI-UHFFFAOYSA-N	-1	0	356.429	1.105	40	0		FDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cc1	ZINC000224857721	537542272	/nfs/dbraw/zinc/54/22/72/537542272.db2.gz	RRNGYCCYOKBOFQ-UHFFFAOYSA-N	-1	0	365.363	1.704	40	0		FDABRM
O=C([O-])CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1	ZINC000225134871	537544362	/nfs/dbraw/zinc/54/43/62/537544362.db2.gz	KWQSHGLQXCDXMI-UHFFFAOYSA-N	-1	0	355.393	1.799	40	0		FDABRM
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12)c1ccsc1	ZINC000575402511	550460294	/nfs/dbraw/zinc/46/02/94/550460294.db2.gz	BIPJFUPRHPQHIO-USXIJHARSA-N	-1	0	372.446	1.971	40	0		FDABRM
NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(=O)[O-])cc1	ZINC000217715595	568199911	/nfs/dbraw/zinc/19/99/11/568199911.db2.gz	IRVPETXFEYKHKN-UHFFFAOYSA-N	-1	0	350.352	1.050	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1	ZINC000328973169	571105714	/nfs/dbraw/zinc/10/57/14/571105714.db2.gz	DZRSFTDIDZORFR-UHFFFAOYSA-N	-1	0	371.784	1.982	40	0		FDABRM
COc1cccc(CNc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)c1	ZINC000329045953	571108561	/nfs/dbraw/zinc/10/85/61/571108561.db2.gz	TYFWIMBYXAHXCO-UHFFFAOYSA-N	-1	0	356.304	1.456	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccccc2F)cc(-c2ccncc2)n1	ZINC000329056149	571109209	/nfs/dbraw/zinc/10/92/09/571109209.db2.gz	VRVITBIANATYCC-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
CN1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cn2)C[C@H]1C(N)=O	ZINC000257233429	571152332	/nfs/dbraw/zinc/15/23/32/571152332.db2.gz	GPFJNJHBLPHDGA-KRWDZBQOSA-N	-1	0	354.410	1.048	40	0		FDABRM
Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3nc(C)cc(=O)[nH]3)C2)n1	ZINC000257273892	571156900	/nfs/dbraw/zinc/15/69/00/571156900.db2.gz	NIQLNBXOXIUISF-HNNXBMFYSA-N	-1	0	359.430	1.684	40	0		FDABRM
COC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)COC	ZINC000217534936	222672085	/nfs/dbraw/zinc/67/20/85/222672085.db2.gz	BJNIDTBQLITHMW-QWRGUYRKSA-N	-1	0	360.432	1.145	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)cc2F)cc(-c2ccncc2)n1	ZINC000328975429	210127875	/nfs/dbraw/zinc/12/78/75/210127875.db2.gz	FKDKVEWDTNFHET-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)[O-])cc1	ZINC000264631678	179153170	/nfs/dbraw/zinc/15/31/70/179153170.db2.gz	VGAGJEBJIHNSBO-CQSZACIVSA-N	-1	0	350.396	1.506	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000013320920	220064093	/nfs/dbraw/zinc/06/40/93/220064093.db2.gz	ZITSWVTWVKXAFX-HDEZJCGLSA-N	-1	0	372.421	1.844	40	0		FDABRM
Cc1cc(C(=O)[O-])cc(C)c1N(C)Cc1cnc2nc(N)nc(N)c2n1	ZINC000001723136	210367034	/nfs/dbraw/zinc/36/70/34/210367034.db2.gz	ONPRITYYXGJIFN-UHFFFAOYSA-N	-1	0	353.386	1.536	40	0		FDABRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(NS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000071257229	221337070	/nfs/dbraw/zinc/33/70/70/221337070.db2.gz	KVAQHAYIHFSBMU-LBPRGKRZSA-N	-1	0	358.416	1.579	40	0		FDABRM
O=C([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NC2CCCCC2)c1	ZINC000217449150	132272108	/nfs/dbraw/zinc/27/21/08/132272108.db2.gz	UWKFJFOCQOWLEY-UHFFFAOYSA-N	-1	0	368.455	1.832	40	0		FDABRM
CC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2Cl)CC1	ZINC000057332425	132376392	/nfs/dbraw/zinc/37/63/92/132376392.db2.gz	YWHPYWWUFRZSMM-GFCCVEGCSA-N	-1	0	365.817	1.446	40	0		FDABRM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1cccc(N(C)C)c1)CC2	ZINC000096157056	222058639	/nfs/dbraw/zinc/05/86/39/222058639.db2.gz	WHFQKEIHLLMKFO-QGZVFWFLSA-N	-1	0	373.453	1.680	40	0		FDABRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(O)ccc3OC(=O)[C@H]21	ZINC000004041885	518282731	/nfs/dbraw/zinc/28/27/31/518282731.db2.gz	NWVNEIDOXFMQFU-XKSSXDPKSA-N	-1	0	351.361	1.368	40	0		FDABRM
COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1OC	ZINC000005389191	518343319	/nfs/dbraw/zinc/34/33/19/518343319.db2.gz	FVDHBXQOSUJIFW-AMVTXUCVSA-N	-1	0	359.378	1.113	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1	ZINC000006741990	518384793	/nfs/dbraw/zinc/38/47/93/518384793.db2.gz	WYOAYKCLBQDJSK-HCXYKTFWSA-N	-1	0	354.450	1.896	40	0		FDABRM
C[C@]12C=C[C@](CO)(O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000006824704	518387995	/nfs/dbraw/zinc/38/79/95/518387995.db2.gz	XBJPWUIUZSUXFV-YLGOIMDESA-N	-1	0	363.753	1.234	40	0		FDABRM
CCOC(=O)C1=C[C@](C)(C(=O)OCC)Nc2c(=O)[n-]c(SC)nc2N1	ZINC000008665365	518482633	/nfs/dbraw/zinc/48/26/33/518482633.db2.gz	AYSLOAWDYIXEEC-OAHLLOKOSA-N	-1	0	368.415	1.098	40	0		FDABRM
[NH3+][C@@H](CC(=O)[O-])c1cnc([N-]S(=O)(=O)c2cccc3ccccc32)nc1	ZINC000008701487	518482775	/nfs/dbraw/zinc/48/27/75/518482775.db2.gz	WZYOSSGDACHMLH-AWEZNQCLSA-N	-1	0	372.406	1.905	40	0		FDABRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Oc1ccccc1C1N=NC(=S)O1	ZINC000036633741	519624713	/nfs/dbraw/zinc/62/47/13/519624713.db2.gz	JTIFEMSRMWEKEM-MRVPVSSYSA-N	-1	0	351.365	1.672	40	0		FDABRM
COC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1	ZINC000217502739	522628874	/nfs/dbraw/zinc/62/88/74/522628874.db2.gz	VPYIJJLIHINXOC-WCQYABFASA-N	-1	0	372.443	1.289	40	0		FDABRM
COC(=O)Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)c(Br)c1	ZINC000090514041	524601970	/nfs/dbraw/zinc/60/19/70/524601970.db2.gz	PFKBWCQOGKNPGK-SNVBAGLBSA-N	-1	0	362.201	1.055	40	0		FDABRM
C[C@H](NS(=O)(=O)c1ccc(NCCO)c(C(=O)[O-])c1)c1ccccc1	ZINC000217609527	537455598	/nfs/dbraw/zinc/45/55/98/537455598.db2.gz	CJDMIIIHHMZFLU-LBPRGKRZSA-N	-1	0	364.423	1.829	40	0		FDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCOC	ZINC000217508028	537456129	/nfs/dbraw/zinc/45/61/29/537456129.db2.gz	JYXPOJUOHSAXRE-UHFFFAOYSA-N	-1	0	374.459	1.538	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1	ZINC000222442954	537507302	/nfs/dbraw/zinc/50/73/02/537507302.db2.gz	ZYNHHNSCGDFQLP-CIRFHOKZSA-N	-1	0	358.413	1.993	40	0		FDABRM
COC(=O)c1ccc(CS(=O)(=O)[N-]c2nnc(SC)s2)cc1	ZINC000222839660	537512630	/nfs/dbraw/zinc/51/26/30/537512630.db2.gz	YJVOTIQLTPDMQI-UHFFFAOYSA-N	-1	0	359.454	1.989	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccc(C)cc2)s1	ZINC000223246698	537521438	/nfs/dbraw/zinc/52/14/38/537521438.db2.gz	JCQNEMMODYURGN-UHFFFAOYSA-N	-1	0	354.457	1.716	40	0		FDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2cccs2)s1	ZINC000224230362	537540485	/nfs/dbraw/zinc/54/04/85/537540485.db2.gz	WMZLLVHNHGDCJZ-UHFFFAOYSA-N	-1	0	351.456	1.666	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)s1	ZINC000225796678	537559472	/nfs/dbraw/zinc/55/94/72/537559472.db2.gz	SUCBBAUKBRQOLY-LBPRGKRZSA-N	-1	0	352.441	1.852	40	0		FDABRM
Cc1ccc(CN2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3O4)CC2)cc1	ZINC000225790192	537559507	/nfs/dbraw/zinc/55/95/07/537559507.db2.gz	PNCDCWBGQYHWQO-MLHJIOFPSA-N	-1	0	356.422	1.293	40	0		FDABRM
O=C(CCc1cc(=O)[n-]o1)N1CC[C@](O)(COc2ccc(F)cc2)C1	ZINC000585276220	551576902	/nfs/dbraw/zinc/57/69/02/551576902.db2.gz	LFAQMDBLNICNCB-QGZVFWFLSA-N	-1	0	350.346	1.494	40	0		FDABRM
CNC(=O)[C@H]1CCCN1C(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634872770	558538542	/nfs/dbraw/zinc/53/85/42/558538542.db2.gz	VOLYCUGFNKAJTI-DYVFJYSZSA-N	-1	0	352.818	1.809	40	0		FDABRM
O=C([O-])c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NCCO)c1	ZINC000217457648	568185061	/nfs/dbraw/zinc/18/50/61/568185061.db2.gz	KNOJPOVYBZKJQL-UHFFFAOYSA-N	-1	0	368.455	1.958	40	0		FDABRM
CC(C)OCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCO	ZINC000217463230	568185608	/nfs/dbraw/zinc/18/56/08/568185608.db2.gz	ROMADNSJSMQQOL-UHFFFAOYSA-N	-1	0	374.459	1.273	40	0		FDABRM
CS(=O)(=O)CCc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1	ZINC000647697892	571106582	/nfs/dbraw/zinc/10/65/82/571106582.db2.gz	VFIMRJHLTIQKPR-GXTWGEPZSA-N	-1	0	354.428	1.649	40	0		FDABRM
CCCn1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)n1	ZINC000257319610	571161307	/nfs/dbraw/zinc/16/13/07/571161307.db2.gz	VTGSHUJQCMZZII-HZPDHXFCSA-N	-1	0	359.382	1.256	40	0		FDABRM
O=C([O-])c1ccc(NCc2ccccc2)c(S(=O)(=O)NCCCO)c1	ZINC000217461893	222671193	/nfs/dbraw/zinc/67/11/93/222671193.db2.gz	MHOAWMVMERUBGI-UHFFFAOYSA-N	-1	0	364.423	1.658	40	0		FDABRM
COc1ccc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)cc1F	ZINC000328969417	210126798	/nfs/dbraw/zinc/12/67/98/210126798.db2.gz	DDTXQVROTLFOJP-UHFFFAOYSA-N	-1	0	369.356	1.770	40	0		FDABRM
COCC(=O)N1CCC(c2cc(-c3cncc(C(=O)[O-])c3)nc(C)n2)CC1	ZINC000257227167	223028534	/nfs/dbraw/zinc/02/85/34/223028534.db2.gz	FNZIGMXEYXPHIG-UHFFFAOYSA-N	-1	0	370.409	1.898	40	0		FDABRM
Cc1cc(C)nc([N-]c2nccnc2[C@H]2CCCN2CC(=O)N(C)C)n1	ZINC000257301094	223057471	/nfs/dbraw/zinc/05/74/71/223057471.db2.gz	RWZBTVXNGTUIQN-CQSZACIVSA-N	-1	0	355.446	1.852	40	0		FDABRM
COC(=O)c1sccc1S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000016189898	220180266	/nfs/dbraw/zinc/18/02/66/220180266.db2.gz	DHGHDBXXJPBAGS-UHFFFAOYSA-N	-1	0	355.393	1.711	40	0		FDABRM
O=C([O-])Cc1c[nH]c(=O)n(-c2ccc(OCc3ccccc3)cc2)c1=O	ZINC000020156448	211271308	/nfs/dbraw/zinc/27/13/08/211271308.db2.gz	ORQDSCZAQQZMCN-UHFFFAOYSA-N	-1	0	352.346	1.732	40	0		FDABRM
CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2ccc(C(=O)[O-])cc2)C1	ZINC000257270508	533390841	/nfs/dbraw/zinc/39/08/41/533390841.db2.gz	MUNHUMCAERUJAH-AWEZNQCLSA-N	-1	0	361.423	1.981	40	0		FDABRM
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cc3nonc3C)[n-]n2c1=O	ZINC000100139163	222236930	/nfs/dbraw/zinc/23/69/30/222236930.db2.gz	LFSZTZXPPHFOTP-OAHLLOKOSA-N	-1	0	370.413	1.903	40	0		FDABRM
COC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc(C(=O)OC)c1	ZINC000004628713	518307206	/nfs/dbraw/zinc/30/72/06/518307206.db2.gz	CZQZRGWTZWIFML-MMDVMMEASA-N	-1	0	373.361	1.721	40	0		FDABRM
COc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824033	518355049	/nfs/dbraw/zinc/35/50/49/518355049.db2.gz	ZXVIFYTUOVPUQV-SGANQWHYSA-N	-1	0	358.375	1.331	40	0		FDABRM
CCCNC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000006879633	518390316	/nfs/dbraw/zinc/39/03/16/518390316.db2.gz	VAVUNNKVPNOPKE-GHXNOFRVSA-N	-1	0	365.367	1.863	40	0		FDABRM
Cc1nn(CCCNC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C)c1Cl	ZINC000006921007	518393512	/nfs/dbraw/zinc/39/35/12/518393512.db2.gz	KPSPKXULKTWTAU-VOAKCMCISA-N	-1	0	355.822	1.538	40	0		FDABRM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC000012147719	518592652	/nfs/dbraw/zinc/59/26/52/518592652.db2.gz	AGOHCVVFEUTYOT-JTQLQIEISA-N	-1	0	350.400	1.557	40	0		FDABRM
CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])s1	ZINC000035898007	519614187	/nfs/dbraw/zinc/61/41/87/519614187.db2.gz	UHCVYUMZZUAAFU-RHYQMDGZSA-N	-1	0	352.412	1.616	40	0		FDABRM
Cc1nc([C@H]2CN(Cc3ccccc3OCC(=O)[O-])CCO2)cc(=O)[nH]1	ZINC000257277968	534502744	/nfs/dbraw/zinc/50/27/44/534502744.db2.gz	OAEAVRJHAWMPIU-MRXNPFEDSA-N	-1	0	359.382	1.528	40	0		FDABRM
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)[O-])cn1	ZINC000049468373	522844463	/nfs/dbraw/zinc/84/44/63/522844463.db2.gz	QRJGZAVMSNKOME-UHFFFAOYSA-N	-1	0	355.803	1.790	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1	ZINC000222439972	537507673	/nfs/dbraw/zinc/50/76/73/537507673.db2.gz	AGMFVBZHNYTSQB-CIRFHOKZSA-N	-1	0	358.413	1.993	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)s1	ZINC000223163636	537519610	/nfs/dbraw/zinc/51/96/10/537519610.db2.gz	FXTXBUBYSZSZES-UHFFFAOYSA-N	-1	0	369.428	1.032	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2cccc(OC(C)C)c2)s1	ZINC000223510491	537529765	/nfs/dbraw/zinc/52/97/65/537529765.db2.gz	UZMSRTNOZKZPBD-UHFFFAOYSA-N	-1	0	370.456	1.762	40	0		FDABRM
COc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000224885843	537541447	/nfs/dbraw/zinc/54/14/47/537541447.db2.gz	MVROKYPITBJLPY-UHFFFAOYSA-N	-1	0	356.429	1.942	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)/C=C/C(=O)[O-])C=C1COC(=O)[C@@]12O	ZINC000252516653	210213344	/nfs/dbraw/zinc/21/33/44/210213344.db2.gz	VRZDHXFAIKNSLX-VIESYBELSA-N	-1	0	364.394	1.600	40	0	biogenic,in-vitro	FDABRM
COc1cccc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)c1	ZINC000329035414	210132739	/nfs/dbraw/zinc/13/27/39/210132739.db2.gz	REHKHBABAFHVPB-UHFFFAOYSA-N	-1	0	351.366	1.631	40	0		FDABRM
COc1ccc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)cc1F	ZINC000329031739	210130721	/nfs/dbraw/zinc/13/07/21/210130721.db2.gz	QKSOHLOKDMYLTH-UHFFFAOYSA-N	-1	0	369.356	1.770	40	0		FDABRM
CC(C)c1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCOCC3)c2=O)cc1	ZINC000222662861	222744487	/nfs/dbraw/zinc/74/44/87/222744487.db2.gz	PDZCDNVOSYUCCN-UHFFFAOYSA-N	-1	0	373.409	1.180	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)[C@H]2C=C[C@@H]1O2	ZINC000225750387	222866088	/nfs/dbraw/zinc/86/60/88/222866088.db2.gz	IPAVQMVJBOUHJL-BFJAYTPKSA-N	-1	0	357.341	1.663	40	0		FDABRM
O=C([O-])c1ccc(=O)n(-c2ccc(OC[C@H](O)Cn3ccnc3)cc2)c1	ZINC000257238644	223033522	/nfs/dbraw/zinc/03/35/22/223033522.db2.gz	HLXKDTDTOHOHLO-OAHLLOKOSA-N	-1	0	355.350	1.172	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2nccnc2-c2cccc(C(=O)[O-])c2)C1	ZINC000257329671	223068048	/nfs/dbraw/zinc/06/80/48/223068048.db2.gz	XKYRPNROLWBZIW-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
COc1ccc(C)cc1S(=O)(=O)NCCc1cccc(C(=O)[O-])n1	ZINC000542860221	541489975	/nfs/dbraw/zinc/48/99/75/541489975.db2.gz	XGGTYXMAURHMQJ-UHFFFAOYSA-N	-1	0	350.396	1.618	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2sccc2C(=O)NC2CC2)[C@H]2CC[C@@H]1O2	ZINC000017072688	220201594	/nfs/dbraw/zinc/20/15/94/220201594.db2.gz	KZTOSAGJSYOPQE-NOOOWODRSA-N	-1	0	350.396	1.457	40	0		FDABRM
CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000546251576	542131698	/nfs/dbraw/zinc/13/16/98/542131698.db2.gz	DDJRDXCVKNNMKU-NSHDSACASA-N	-1	0	358.391	1.203	40	0		FDABRM
O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)C1	ZINC000287108204	183214089	/nfs/dbraw/zinc/21/40/89/183214089.db2.gz	ARCFJNURGRIQFK-SECBINFHSA-N	-1	0	352.334	1.976	40	0		FDABRM
O=C([O-])[C@H]1CS[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1	ZINC000013636885	211044940	/nfs/dbraw/zinc/04/49/40/211044940.db2.gz	MNGNIHLMTZCEOY-NXEZZACHSA-N	-1	0	362.329	1.719	40	0		FDABRM
C[C@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000001707475	210367536	/nfs/dbraw/zinc/36/75/36/210367536.db2.gz	NONJJLVGHLVQQM-APAOZMKASA-N	-1	0	364.423	1.086	40	0		FDABRM
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000020204108	220318103	/nfs/dbraw/zinc/31/81/03/220318103.db2.gz	KNOCULMLCYXLKH-LBPRGKRZSA-N	-1	0	352.412	1.299	40	0		FDABRM
O=C([O-])[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000547554303	542372641	/nfs/dbraw/zinc/37/26/41/542372641.db2.gz	KSFZABDZNJNSIR-DOMZBBRYSA-N	-1	0	365.411	1.030	40	0		FDABRM
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CCS(=O)(=O)[O-])C2)c(NC2CC2)n1	ZINC000066345568	221244782	/nfs/dbraw/zinc/24/47/82/221244782.db2.gz	PWDJVZCMMSQJKM-ONGXEEELSA-N	-1	0	364.431	1.378	40	0		FDABRM
CS(=O)(=O)N1CCC(c2cncc(-c3ccccc3C(=O)[O-])n2)CC1	ZINC000257323527	533382666	/nfs/dbraw/zinc/38/26/66/533382666.db2.gz	WKQDVGOJDRDKJN-UHFFFAOYSA-N	-1	0	361.423	1.981	40	0		FDABRM
Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])nc1Cl	ZINC000072203177	136143778	/nfs/dbraw/zinc/14/37/78/136143778.db2.gz	PXTJWGCKWMMYJO-SNVBAGLBSA-N	-1	0	356.810	1.949	40	0		FDABRM
C[C@H]1C(=O)[C@H](C)[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000101903385	222287398	/nfs/dbraw/zinc/28/73/98/222287398.db2.gz	LXIQMFKOABADKQ-FKNAHTHXSA-N	-1	0	357.362	1.411	40	0		FDABRM
O=c1[nH]cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c(=O)[nH]1	ZINC000005375894	518343371	/nfs/dbraw/zinc/34/33/71/518343371.db2.gz	JZRRFJNTWBHVSZ-UHFFFAOYSA-N	-1	0	369.708	1.536	40	0		FDABRM
CC1(C)S[C@H]2[C@H](NC(=O)c3c(F)cccc3F)C(=O)N2[C@H]1C(=O)[O-]	ZINC000006393215	518371060	/nfs/dbraw/zinc/37/10/60/518371060.db2.gz	NPJMCPOOMPMAMR-NRUUGDAUSA-N	-1	0	356.350	1.210	40	0		FDABRM
CC(C)CNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000217629905	519749642	/nfs/dbraw/zinc/74/96/42/519749642.db2.gz	SXRPFQWWCYZXSY-LBPRGKRZSA-N	-1	0	356.444	1.910	40	0		FDABRM
CCc1nnc([N-]c2cc(C)nc([C@@H]3CCN(C(=O)COC)C3)n2)s1	ZINC000072382531	522229501	/nfs/dbraw/zinc/22/95/01/522229501.db2.gz	YIFRQNMUJMCOQM-LLVKDONJSA-N	-1	0	362.459	1.905	40	0		FDABRM
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000049468519	522844524	/nfs/dbraw/zinc/84/45/24/522844524.db2.gz	KVLVQFREOKETNJ-UHFFFAOYSA-N	-1	0	371.802	1.083	40	0		FDABRM
O=C([O-])c1ccc(NCCCO)c(S(=O)(=O)NCc2ccco2)c1	ZINC000217493707	526378304	/nfs/dbraw/zinc/37/83/04/526378304.db2.gz	WJLXYQIIVOSYSR-UHFFFAOYSA-N	-1	0	354.384	1.251	40	0		FDABRM
COCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	ZINC000224882493	537541215	/nfs/dbraw/zinc/54/12/15/537541215.db2.gz	HLJKCIANXXEWDS-UHFFFAOYSA-N	-1	0	370.456	1.414	40	0		FDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3coc(C)n3)cc2NC1=O	ZINC000585281963	551578955	/nfs/dbraw/zinc/57/89/55/551578955.db2.gz	VRWYKCFTNOIIIJ-GFCCVEGCSA-N	-1	0	365.367	1.211	40	0		FDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)COC	ZINC000217470845	568186374	/nfs/dbraw/zinc/18/63/74/568186374.db2.gz	IPMRHWDHDVZGNR-LLVKDONJSA-N	-1	0	360.432	1.146	40	0		FDABRM
CCOc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000408593101	570573608	/nfs/dbraw/zinc/57/36/08/570573608.db2.gz	PCBPFTDZQORRIL-ONNFQVAWSA-N	-1	0	354.746	1.725	40	0		FDABRM
COc1ccc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)cc1F	ZINC000328962967	571105031	/nfs/dbraw/zinc/10/50/31/571105031.db2.gz	BLSLEOLUDFTWHE-UHFFFAOYSA-N	-1	0	369.356	1.770	40	0		FDABRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)ccc2cccnc21	ZINC000643971291	975323959	/nfs/dbraw/zinc/32/39/59/975323959.db2.gz	HZXVEWHGDDWKEC-QGZVFWFLSA-N	-1	0	364.423	1.798	40	0		FDABRM
O=C([O-])CNc1nc(Nc2c(F)cccc2F)cc(-c2ccncc2)n1	ZINC000328968555	210127767	/nfs/dbraw/zinc/12/77/67/210127767.db2.gz	DARBVZLDUJHFKS-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
COCC(=O)N1CCC[C@@H](Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)C1	ZINC000257322144	223065189	/nfs/dbraw/zinc/06/51/89/223065189.db2.gz	WETCPLLVKPYJCN-ZDUSSCGKSA-N	-1	0	370.409	1.664	40	0		FDABRM
O=C([O-])CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1	ZINC000041058365	211766905	/nfs/dbraw/zinc/76/69/05/211766905.db2.gz	YRPAEPXKEWAFHN-AWEZNQCLSA-N	-1	0	372.418	1.350	40	0		FDABRM
CS(=O)(=O)C1C(=O)C(=O)N(CCCC(=O)[O-])[C@H]1c1ccccc1F	ZINC000019879762	211259060	/nfs/dbraw/zinc/25/90/60/211259060.db2.gz	YQAKOICDJOMFQO-LBPRGKRZSA-N	-1	0	357.359	1.388	40	0		FDABRM
COc1cccc(OC)c1OCC(=O)NCc1cc(=O)n2[n-]c(C)cc2n1	ZINC000019130091	211204700	/nfs/dbraw/zinc/20/47/00/211204700.db2.gz	PAJGSQDOAQBKLY-UHFFFAOYSA-N	-1	0	372.381	1.456	40	0		FDABRM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000217526801	132272484	/nfs/dbraw/zinc/27/24/84/132272484.db2.gz	MMGWREXBMPRRFH-GFCCVEGCSA-N	-1	0	356.444	1.688	40	0		FDABRM
CCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])ncn1	ZINC000079438989	136151005	/nfs/dbraw/zinc/15/10/05/136151005.db2.gz	SRWGJWVABQOQOF-LLVKDONJSA-N	-1	0	352.391	1.386	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCN(C(=O)c4cnccn4)C3)cc2n1	ZINC000100138070	222236733	/nfs/dbraw/zinc/23/67/33/222236733.db2.gz	ADXUIFPIRLMXSS-LBPRGKRZSA-N	-1	0	352.398	1.807	40	0		FDABRM
CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cc3nonc3C)[n-]n2c1=O	ZINC000100139162	222237031	/nfs/dbraw/zinc/23/70/31/222237031.db2.gz	LFSZTZXPPHFOTP-HNNXBMFYSA-N	-1	0	370.413	1.903	40	0		FDABRM
O=C([O-])CCNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1	ZINC000101899546	222286680	/nfs/dbraw/zinc/28/66/80/222286680.db2.gz	GIJSWFPTKPCZDF-OKILXGFUSA-N	-1	0	357.410	1.794	40	0		FDABRM
COc1cc([C@H]2CC(C(=O)[O-])=Nc3nc(C(F)(F)F)nn32)ccc1O	ZINC000102335938	222294987	/nfs/dbraw/zinc/29/49/87/222294987.db2.gz	XHIQHVWZYOAAFU-MRVPVSSYSA-N	-1	0	356.260	1.995	40	0		FDABRM
COC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000409134333	263532286	/nfs/dbraw/zinc/53/22/86/263532286.db2.gz	NWRIUTVTTFFMLL-AWNIVKPZSA-N	-1	0	374.374	1.935	40	0		FDABRM
CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1	ZINC000005540065	518347926	/nfs/dbraw/zinc/34/79/26/518347926.db2.gz	HQEJTFRMUYHJJT-YRGRVCCFSA-N	-1	0	366.439	1.242	40	0		FDABRM
CCOP(=O)(OCC)C(=Cn1c(=O)cc([O-])[nH]c1=S)C(=O)OC	ZINC000005838423	518355002	/nfs/dbraw/zinc/35/50/02/518355002.db2.gz	QBRDMNLBBRNUEY-BQYQJAHWSA-N	-1	0	364.316	1.312	40	0		FDABRM
Cn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O	ZINC000011174993	518552287	/nfs/dbraw/zinc/55/22/87/518552287.db2.gz	ZSQXJGCYIKRQEN-UHFFFAOYSA-N	-1	0	364.210	1.192	40	0		FDABRM
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000011582388	518564778	/nfs/dbraw/zinc/56/47/78/518564778.db2.gz	UXEDYYWVDVLBNH-USZNOCQGSA-N	-1	0	355.460	1.943	40	0		FDABRM
CC(C)CC(=O)NCCn1cc(C(=O)[O-])c(=O)cc1[C@H](O)c1ccccc1	ZINC000031160895	519415090	/nfs/dbraw/zinc/41/50/90/519415090.db2.gz	YTPQOAKWPUOEEC-LJQANCHMSA-N	-1	0	372.421	1.791	40	0	biogenic,in-vitro	FDABRM
COc1ccccc1OCCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000031357783	519431006	/nfs/dbraw/zinc/43/10/06/519431006.db2.gz	QLQXMQLAZRSRBG-UHFFFAOYSA-N	-1	0	364.423	1.876	40	0		FDABRM
CCCCC/C=C/C1=C(CO)[C@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)[O-])[C@@H]1O	ZINC000035270752	519601228	/nfs/dbraw/zinc/60/12/28/519601228.db2.gz	AGWIINKICRXDEB-JTABCQBRSA-N	-1	0	352.427	1.706	40	0	biogenic,in-vitro	FDABRM
Cc1nc([C@@H]2CN(Cc3ccc(OCC(=O)[O-])cc3)CCO2)cc(=O)[nH]1	ZINC000257235352	534502905	/nfs/dbraw/zinc/50/29/05/534502905.db2.gz	GXLJCZWGCRSDQT-INIZCTEOSA-N	-1	0	359.382	1.528	40	0		FDABRM
O=C([O-])c1ccc(NCc2ccco2)c(S(=O)(=O)NCCCO)c1	ZINC000217462525	526379957	/nfs/dbraw/zinc/37/99/57/526379957.db2.gz	TXFQXOJYALJFQH-UHFFFAOYSA-N	-1	0	354.384	1.251	40	0		FDABRM
CCOCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)[O-])c1	ZINC000217641502	537455911	/nfs/dbraw/zinc/45/59/11/537455911.db2.gz	ZDYUHCAEBVLPOJ-UHFFFAOYSA-N	-1	0	360.432	1.148	40	0		FDABRM
COc1cc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1Cl	ZINC000222433552	537508268	/nfs/dbraw/zinc/50/82/68/537508268.db2.gz	POZZNRSKEPZBQL-PJQZNRQZSA-N	-1	0	353.758	1.950	40	0		FDABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000223297991	537522894	/nfs/dbraw/zinc/52/28/94/537522894.db2.gz	OFEWYZGUTFGUJW-UHFFFAOYSA-N	-1	0	350.396	1.669	40	0		FDABRM
CCc1ccc(OCC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000225166721	537544175	/nfs/dbraw/zinc/54/41/75/537544175.db2.gz	USRVVXKCUHXBMK-UHFFFAOYSA-N	-1	0	370.456	1.416	40	0		FDABRM
COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1N1C(=O)CCC1=O	ZINC000225837753	537562560	/nfs/dbraw/zinc/56/25/60/537562560.db2.gz	ALVRYYAYSDKDLK-UHFFFAOYSA-N	-1	0	361.379	1.544	40	0		FDABRM
O=C([O-])c1cnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1	ZINC000226105101	537565763	/nfs/dbraw/zinc/56/57/63/537565763.db2.gz	JDJKNGDCSQSIHX-UHFFFAOYSA-N	-1	0	363.395	1.538	40	0		FDABRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc2ccsc2c1	ZINC000647927246	570760574	/nfs/dbraw/zinc/76/05/74/570760574.db2.gz	GGJMAOZVDMMFCO-CQSZACIVSA-N	-1	0	356.425	1.551	40	0		FDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000036182872	210245378	/nfs/dbraw/zinc/24/53/78/210245378.db2.gz	DBJCOCLDOBAUHU-UHFFFAOYSA-N	-1	0	356.385	1.084	40	0		FDABRM
CNS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)[O-])c1	ZINC000217536851	222671876	/nfs/dbraw/zinc/67/18/76/222671876.db2.gz	LINXWKNTQORQDA-UHFFFAOYSA-N	-1	0	364.423	1.956	40	0		FDABRM
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)[O-])cc1	ZINC000218098534	222677353	/nfs/dbraw/zinc/67/73/53/222677353.db2.gz	FQVVFNIRUDSZMG-JZXOWHBKSA-N	-1	0	362.403	1.698	40	0		FDABRM
COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000060049644	212018699	/nfs/dbraw/zinc/01/86/99/212018699.db2.gz	AJELNNGYLAEKQK-UHFFFAOYSA-N	-1	0	351.380	1.984	40	0		FDABRM
Cc1cc(SCC(=O)[O-])nc(CN(C)S(=O)(=O)c2ccccc2)n1	ZINC000049468969	211889502	/nfs/dbraw/zinc/88/95/02/211889502.db2.gz	QAEAFKYYYJTQFA-UHFFFAOYSA-N	-1	0	367.452	1.782	40	0		FDABRM
COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](O)(CO)[C@@H]1C(=O)[O-])OCO3	ZINC000005809645	210642605	/nfs/dbraw/zinc/64/26/05/210642605.db2.gz	NGTIFJDPPBHRMW-AOIWGVFYSA-N	-1	0	374.345	1.330	40	0		FDABRM
C[C@@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000001707476	210368338	/nfs/dbraw/zinc/36/83/38/210368338.db2.gz	NONJJLVGHLVQQM-JDTTZNEISA-N	-1	0	364.423	1.086	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3O4)CC2)c1C	ZINC000102609455	132235159	/nfs/dbraw/zinc/23/51/59/132235159.db2.gz	IGDJUVKHKVQMQL-MHORFTMASA-N	-1	0	356.422	1.606	40	0		FDABRM
CC(C)CCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000217654505	132272502	/nfs/dbraw/zinc/27/25/02/132272502.db2.gz	IHJBINXWGHKGOA-UHFFFAOYSA-N	-1	0	356.444	1.546	40	0		FDABRM
CSc1nccc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])n1	ZINC000072203526	136143788	/nfs/dbraw/zinc/14/37/88/136143788.db2.gz	MWXNLCZXFUJQRX-SNVBAGLBSA-N	-1	0	354.432	1.709	40	0		FDABRM
CCc1ccccc1N1C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000101273612	222265957	/nfs/dbraw/zinc/26/59/57/222265957.db2.gz	QAGMTQJEGQWSIB-TZMCWYRMSA-N	-1	0	364.423	1.203	40	0		FDABRM
C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000003875872	518280320	/nfs/dbraw/zinc/28/03/20/518280320.db2.gz	NONJJLVGHLVQQM-ADGXKJENSA-N	-1	0	364.423	1.086	40	0	world	FDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2S(N)(=O)=O)cc1	ZINC000006502213	518372353	/nfs/dbraw/zinc/37/23/53/518372353.db2.gz	GFOBGPBVXRTCSY-UHFFFAOYSA-N	-1	0	369.424	1.153	40	0		FDABRM
COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(C3CCCC3)C1=O)OCO2	ZINC000008114061	518456336	/nfs/dbraw/zinc/45/63/36/518456336.db2.gz	WEPQKSWBZFZNOS-SDQBBNPISA-N	-1	0	358.350	1.828	40	0		FDABRM
Cc1nc2c(c(=O)[nH]1)CCN(Cc1cn(CC(=O)[O-])c3ccccc13)C2	ZINC000012117852	518588462	/nfs/dbraw/zinc/58/84/62/518588462.db2.gz	ZOOPESMAQQKLJK-UHFFFAOYSA-N	-1	0	352.394	1.676	40	0		FDABRM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2	ZINC000012117074	518589317	/nfs/dbraw/zinc/58/93/17/518589317.db2.gz	NWVHEGVYXXFTHF-UHFFFAOYSA-N	-1	0	364.427	1.947	40	0		FDABRM
Cc1c2c(cc(=O)n1CCc1c[nH]cn1)[n-]n(-c1ccc(F)cc1)c2=O	ZINC000036235942	519618117	/nfs/dbraw/zinc/61/81/17/519618117.db2.gz	PVXAEXNQVVWOTL-UHFFFAOYSA-N	-1	0	353.357	1.894	40	0		FDABRM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000045866111	522179202	/nfs/dbraw/zinc/17/92/02/522179202.db2.gz	SHVPPFGOCUYDDV-UHFFFAOYSA-N	-1	0	368.436	1.849	40	0		FDABRM
O=C([O-])c1ccc(NCCCO)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000217504241	526378218	/nfs/dbraw/zinc/37/82/18/526378218.db2.gz	RQQFQDHTJBOGHD-UHFFFAOYSA-N	-1	0	350.396	1.980	40	0		FDABRM
CCOCCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)[O-]	ZINC000217667658	537455802	/nfs/dbraw/zinc/45/58/02/537455802.db2.gz	XTAYJODTTDQYPN-GFCCVEGCSA-N	-1	0	374.459	1.537	40	0		FDABRM
CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)[O-]	ZINC000218206764	537461991	/nfs/dbraw/zinc/46/19/91/537461991.db2.gz	KNHZHRMPRMFWBY-GMXVVIOVSA-N	-1	0	363.229	1.413	40	0		FDABRM
NC(=O)c1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1	ZINC000223328514	537522270	/nfs/dbraw/zinc/52/22/70/537522270.db2.gz	PTXTWPBICBDQSM-UHFFFAOYSA-N	-1	0	367.770	1.674	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2nnc(SC)s2)s1	ZINC000224478728	537541181	/nfs/dbraw/zinc/54/11/81/537541181.db2.gz	SFAHCNQFZIDTIC-UHFFFAOYSA-N	-1	0	366.475	1.261	40	0		FDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]C2CC2)s1)c1ccc(Cl)cc1	ZINC000225468197	537550635	/nfs/dbraw/zinc/55/06/35/537550635.db2.gz	FESONKCOOCUBOU-UHFFFAOYSA-N	-1	0	358.832	1.885	40	0		FDABRM
O=C([O-])CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1	ZINC000408544940	537848635	/nfs/dbraw/zinc/84/86/35/537848635.db2.gz	JGHKYJLTUMVAKA-UHFFFAOYSA-N	-1	0	368.846	1.930	40	0		FDABRM
O=C([O-])c1c(I)c(C(F)(F)F)nn1CCO	ZINC000409443789	537850864	/nfs/dbraw/zinc/85/08/64/537850864.db2.gz	UHEPZUDGECYSPO-UHFFFAOYSA-N	-1	0	350.034	1.197	40	0		FDABRM
O=C(CCc1cc(=O)[n-]o1)N1CC[C@@](O)(COc2ccc(F)cc2)C1	ZINC000585276215	551577018	/nfs/dbraw/zinc/57/70/18/551577018.db2.gz	LFAQMDBLNICNCB-KRWDZBQOSA-N	-1	0	350.346	1.494	40	0		FDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3ccncc3)cc2NC1=O	ZINC000585281386	551578747	/nfs/dbraw/zinc/57/87/47/551578747.db2.gz	IWLIKTVWCQJTKP-CYBMUJFWSA-N	-1	0	361.379	1.310	40	0		FDABRM
CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)CCCC(=O)[O-]	ZINC000257247295	529958404	/nfs/dbraw/zinc/95/84/04/529958404.db2.gz	IYIKAKUZVHWQSW-IBGZPJMESA-N	-1	0	372.425	1.284	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217666503	222673640	/nfs/dbraw/zinc/67/36/40/222673640.db2.gz	JPMFUSCMAOYKKJ-NSHDSACASA-N	-1	0	368.411	1.903	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccn2)n1	ZINC000329070611	210134785	/nfs/dbraw/zinc/13/47/85/210134785.db2.gz	ZIICDEHKLXFYKI-UHFFFAOYSA-N	-1	0	365.349	1.351	40	0		FDABRM
COc1cccc(C[N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c1	ZINC000006822924	210090788	/nfs/dbraw/zinc/09/07/88/210090788.db2.gz	WJYSRFUPPZVFQX-UHFFFAOYSA-N	-1	0	365.436	1.552	40	0		FDABRM
CCC[C@@H](N[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21)C(=O)OCC	ZINC000003831299	210078876	/nfs/dbraw/zinc/07/88/76/210078876.db2.gz	IPVQLZZIHOAWMC-UYJHQMFVSA-N	-1	0	368.474	1.941	40	0		FDABRM
CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)[O-])cn21	ZINC000306142983	210057128	/nfs/dbraw/zinc/05/71/28/210057128.db2.gz	XPTDOZIWEFWWDM-HNNXBMFYSA-N	-1	0	352.398	1.311	40	0		FDABRM
COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1OC	ZINC000043735423	211793088	/nfs/dbraw/zinc/79/30/88/211793088.db2.gz	FVDHBXQOSUJIFW-YBKUAAOGSA-N	-1	0	359.378	1.113	40	0		FDABRM
CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])s1	ZINC000035898006	211645650	/nfs/dbraw/zinc/64/56/50/211645650.db2.gz	UHCVYUMZZUAAFU-KXNHARMFSA-N	-1	0	352.412	1.616	40	0		FDABRM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000016899944	211170826	/nfs/dbraw/zinc/17/08/26/211170826.db2.gz	QZXBDPLUBSEOKX-NWDGAFQWSA-N	-1	0	370.814	1.294	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3cncc(C(=O)[O-])c3)nc2)C1	ZINC000257263636	533394649	/nfs/dbraw/zinc/39/46/49/533394649.db2.gz	LQUWTFNSHTTWGQ-ZDUSSCGKSA-N	-1	0	361.423	1.666	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)CC2)c1C	ZINC000015746640	132879141	/nfs/dbraw/zinc/87/91/41/132879141.db2.gz	MQFAJDVHISGRMJ-MHORFTMASA-N	-1	0	358.438	1.830	40	0		FDABRM
CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2)C(=O)[O-]	ZINC000096528509	222123996	/nfs/dbraw/zinc/12/39/96/222123996.db2.gz	NCPDLLUZVKEPIJ-VIFPVBQESA-N	-1	0	351.327	1.786	40	0		FDABRM
Cc1nc2cc([C@@H]3CCCN(C(=O)CCn4cncn4)C3)[n-]n2c(=O)c1C	ZINC000100137697	222236972	/nfs/dbraw/zinc/23/69/72/222236972.db2.gz	OQUUVAXRAJVNGJ-CQSZACIVSA-N	-1	0	369.429	1.440	40	0		FDABRM
CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100242960	222239325	/nfs/dbraw/zinc/23/93/25/222239325.db2.gz	DHMFOASDSYIIDS-MRXNPFEDSA-N	-1	0	371.441	1.803	40	0		FDABRM
O=C(CCCn1nnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000102674194	222304237	/nfs/dbraw/zinc/30/42/37/222304237.db2.gz	CAAFKAGWYKKKAT-OKILXGFUSA-N	-1	0	372.425	1.579	40	0		FDABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OC	ZINC000005018816	263338287	/nfs/dbraw/zinc/33/82/87/263338287.db2.gz	USJWWOBXYSOBAJ-BJMVGYQFSA-N	-1	0	354.746	1.725	40	0		FDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(N)=O)sc1C	ZINC000006679958	518381560	/nfs/dbraw/zinc/38/15/60/518381560.db2.gz	HDUBTBDHRBXTER-UHFFFAOYSA-N	-1	0	354.409	1.743	40	0		FDABRM
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCC(=O)[O-]	ZINC000006959496	518394614	/nfs/dbraw/zinc/39/46/14/518394614.db2.gz	RFVYGOQLECBARW-OQFOIZHKSA-N	-1	0	367.745	1.304	40	0		FDABRM
Cc1nc2cc([C@@H]3CCCN3C(=O)CCCn3cncn3)[n-]n2c(=O)c1C	ZINC000012337003	518606652	/nfs/dbraw/zinc/60/66/52/518606652.db2.gz	YSQHWMRKKFAREG-HNNXBMFYSA-N	-1	0	369.429	1.787	40	0		FDABRM
COC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@H]2[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000020470385	518851884	/nfs/dbraw/zinc/85/18/84/518851884.db2.gz	WBQZTNXTTZOSLT-LQAWEQHXSA-N	-1	0	358.350	1.948	40	0		FDABRM
COc1ccc(CC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000036182651	519618205	/nfs/dbraw/zinc/61/82/05/519618205.db2.gz	YJXXRVRWSFDWAO-UHFFFAOYSA-N	-1	0	356.429	1.026	40	0		FDABRM
O=C([O-])c1ccc(NC=c2sc3nc(-c4ccncc4)nn3c2=O)cc1	ZINC000256028178	534544150	/nfs/dbraw/zinc/54/41/50/534544150.db2.gz	XVELWHSIIFQFQP-LCYFTJDESA-N	-1	0	365.374	1.480	40	0		FDABRM
COCCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217602160	523376856	/nfs/dbraw/zinc/37/68/56/523376856.db2.gz	LWXONCPFRNWNJQ-GFCCVEGCSA-N	-1	0	372.443	1.291	40	0		FDABRM
CCN(Cc1noc(CCC(=O)[O-])n1)S(=O)(=O)c1ccc(OC)cc1	ZINC000078400974	523574813	/nfs/dbraw/zinc/57/48/13/523574813.db2.gz	SCQLXMTWUZYIQG-UHFFFAOYSA-N	-1	0	369.399	1.306	40	0		FDABRM
O=C([O-])c1ccc(NCCO)c(S(=O)(=O)NCCc2ccccc2)c1	ZINC000217482321	526378117	/nfs/dbraw/zinc/37/81/17/526378117.db2.gz	FFMSZYBNEGFXSP-UHFFFAOYSA-N	-1	0	364.423	1.310	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)/C=C/C(=O)[O-])C=C1COC(=O)[C@]12O	ZINC000230140748	537579457	/nfs/dbraw/zinc/57/94/57/537579457.db2.gz	VRZDHXFAIKNSLX-OFXNJRKYSA-N	-1	0	364.394	1.600	40	0	biogenic,in-vitro	FDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cccs3)cc2NC1=O	ZINC000585281600	551578966	/nfs/dbraw/zinc/57/89/66/551578966.db2.gz	MOPMMBZVQFLOKS-LLVKDONJSA-N	-1	0	366.420	1.976	40	0		FDABRM
CCS(=O)(=O)N(Cc1nc(C)cc(=O)[nH]1)c1ccc(C(=O)[O-])cc1	ZINC000222557339	568539163	/nfs/dbraw/zinc/53/91/63/568539163.db2.gz	GPGCWWIICIZQEW-UHFFFAOYSA-N	-1	0	351.384	1.133	40	0		FDABRM
Cc1cc(C)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1CC(=O)[O-]	ZINC000326952307	570835035	/nfs/dbraw/zinc/83/50/35/570835035.db2.gz	GARRDNNMGGEZQL-UHFFFAOYSA-N	-1	0	368.455	1.125	40	0		FDABRM
COC[C@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O	ZINC000242473312	571328819	/nfs/dbraw/zinc/32/88/19/571328819.db2.gz	FGCLEQCOCZDXJJ-LOWVWBTDSA-N	-1	0	363.229	1.677	40	0		FDABRM
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1C(=O)[O-]	ZINC000071195268	210062705	/nfs/dbraw/zinc/06/27/05/210062705.db2.gz	GZKLOPRITHGINH-CQSZACIVSA-N	-1	0	370.365	1.762	40	0		FDABRM
Cc1cnn(CC(=O)N2CCC(c3cc(=O)n4[n-]c(C)cc4n3)CC2)c1	ZINC000257274980	223046848	/nfs/dbraw/zinc/04/68/48/223046848.db2.gz	NNMLAUZVIIZOJG-UHFFFAOYSA-N	-1	0	354.414	1.654	40	0		FDABRM
Cc1cc(-c2cccc(C(=O)[O-])c2)nc([C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257336601	223070524	/nfs/dbraw/zinc/07/05/24/223070524.db2.gz	YPEJQWZIWKXYJE-AWEZNQCLSA-N	-1	0	361.423	1.899	40	0		FDABRM
Cc1c2c(cc(=O)n1N1CCOCC1)[n-]n(-c1ccc(Cl)cc1)c2=O	ZINC000030822949	211525606	/nfs/dbraw/zinc/52/56/06/211525606.db2.gz	HGIZHVPVELYNTK-UHFFFAOYSA-N	-1	0	360.801	1.411	40	0		FDABRM
O=C([O-])[C@H](CCc1nc2ccccc2[nH]1)NS(=O)(=O)c1ccccc1	ZINC000006272493	210664244	/nfs/dbraw/zinc/66/42/44/210664244.db2.gz	MSVFCXYIAXSPDM-HNNXBMFYSA-N	-1	0	359.407	1.927	40	0		FDABRM
COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000002772969	210422064	/nfs/dbraw/zinc/42/20/64/210422064.db2.gz	LHMHDOPIYYXELT-OAACRXHESA-N	-1	0	353.758	1.950	40	0		FDABRM
CN1c2ccccc2C(=O)[C@@](Cl)(C(Cl)(Cl)S(=O)(=O)[O-])C1=O	ZINC000001620126	132382229	/nfs/dbraw/zinc/38/22/29/132382229.db2.gz	DGYVPAAOTRNBOS-JTQLQIEISA-N	-1	0	372.613	1.843	40	0		FDABRM
CN1c2ccccc2C(=O)[C@](Cl)(C(Cl)(Cl)S(=O)(=O)[O-])C1=O	ZINC000003594032	132385596	/nfs/dbraw/zinc/38/55/96/132385596.db2.gz	DGYVPAAOTRNBOS-SNVBAGLBSA-N	-1	0	372.613	1.843	40	0		FDABRM
Cc1nc2cc([C@H]3CCCN3C(=O)CCn3cncn3)[n-]n2c(=O)c1C	ZINC000100723872	222250316	/nfs/dbraw/zinc/25/03/16/222250316.db2.gz	QLFLVRWVRIKDHI-CQSZACIVSA-N	-1	0	355.402	1.397	40	0		FDABRM
C[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000101899552	222287372	/nfs/dbraw/zinc/28/73/72/222287372.db2.gz	AUQWGOHPGGKEDE-MELADBBJSA-N	-1	0	357.410	1.792	40	0		FDABRM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000104293998	222353917	/nfs/dbraw/zinc/35/39/17/222353917.db2.gz	MPMGYYYSXBITBB-UKOJBYBXSA-N	-1	0	353.374	1.826	40	0		FDABRM
COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000002812999	518251551	/nfs/dbraw/zinc/25/15/51/518251551.db2.gz	RBTUJIGAZLYNMT-WDZFZDKYSA-N	-1	0	351.336	1.359	40	0		FDABRM
COc1cccc(OCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000032402248	519500264	/nfs/dbraw/zinc/50/02/64/519500264.db2.gz	HUTAABNPMZXHQD-UHFFFAOYSA-N	-1	0	364.423	1.876	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1	ZINC000217532986	522252915	/nfs/dbraw/zinc/25/29/15/522252915.db2.gz	YFRFGPHQMIDODB-DGCLKSJQSA-N	-1	0	372.443	1.289	40	0		FDABRM
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1	ZINC000217502662	522257012	/nfs/dbraw/zinc/25/70/12/522257012.db2.gz	VPYIJJLIHINXOC-DGCLKSJQSA-N	-1	0	372.443	1.289	40	0		FDABRM
COCCCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217602081	523376791	/nfs/dbraw/zinc/37/67/91/523376791.db2.gz	LWXONCPFRNWNJQ-LBPRGKRZSA-N	-1	0	372.443	1.291	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1NCCCO	ZINC000217604800	526355562	/nfs/dbraw/zinc/35/55/62/526355562.db2.gz	QPCYUJHNYMDOHT-UHFFFAOYSA-N	-1	0	364.423	1.658	40	0		FDABRM
COCCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)[O-]	ZINC000217645383	537454902	/nfs/dbraw/zinc/45/49/02/537454902.db2.gz	FTKXFIZWOPQYRD-UHFFFAOYSA-N	-1	0	374.459	1.537	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1N1CCCC1	ZINC000217634070	537456016	/nfs/dbraw/zinc/45/60/16/537456016.db2.gz	MVWKGSJDHGTDHF-LBPRGKRZSA-N	-1	0	354.428	1.442	40	0		FDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCOCC1	ZINC000225374507	537545927	/nfs/dbraw/zinc/54/59/27/537545927.db2.gz	UMNYUNHMBQKYCE-UHFFFAOYSA-N	-1	0	365.411	1.565	40	0		FDABRM
Cc1nc(COc2ccc(S(=O)(=O)N(C)C)cc2)ncc1C(=O)[O-]	ZINC000226105035	537565684	/nfs/dbraw/zinc/56/56/84/537565684.db2.gz	SBCWAZQGEOUOFX-UHFFFAOYSA-N	-1	0	351.384	1.313	40	0		FDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cc(C)no3)cc2NC1=O	ZINC000585281906	551578589	/nfs/dbraw/zinc/57/85/89/551578589.db2.gz	SWQBGZPYTUEUCH-NSHDSACASA-N	-1	0	365.367	1.211	40	0		FDABRM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1	ZINC000223277275	568633597	/nfs/dbraw/zinc/63/35/97/568633597.db2.gz	UZFGAJKLPBRKAS-UHFFFAOYSA-N	-1	0	350.396	1.621	40	0		FDABRM
CN(C)c1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000408590093	570567845	/nfs/dbraw/zinc/56/78/45/570567845.db2.gz	GAKSKPHZMZIKAM-XNTDXEJSSA-N	-1	0	354.366	1.521	40	0		FDABRM
Cn1c2ccccc2n(CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1=O	ZINC000653333076	570618301	/nfs/dbraw/zinc/61/83/01/570618301.db2.gz	KUMAZPVQHRXQHO-HUUCEWRRSA-N	-1	0	365.389	1.769	40	0		FDABRM
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	ZINC000408738970	570686633	/nfs/dbraw/zinc/68/66/33/570686633.db2.gz	XJQWVGHKLWCEKW-HNNXBMFYSA-N	-1	0	361.398	1.662	40	0		FDABRM
CNC(=O)[C@@H]1CN(C)CCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000257236706	529909766	/nfs/dbraw/zinc/90/97/66/529909766.db2.gz	HDIFKTTUJYQECY-INIZCTEOSA-N	-1	0	357.410	1.507	40	0		FDABRM
COCCN1C[C@@]2(F)CN(Cc3ccc(C(=O)[O-])cc3)C[C@@]2(F)C1=O	ZINC000306140717	210056903	/nfs/dbraw/zinc/05/69/03/210056903.db2.gz	VBTZREJJHVVHIV-DLBZAZTESA-N	-1	0	354.353	1.106	40	0		FDABRM
O=C([O-])CN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224835947	222821579	/nfs/dbraw/zinc/82/15/79/222821579.db2.gz	UUVYBOAWPUYSQE-UHFFFAOYSA-N	-1	0	367.354	1.877	40	0		FDABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000036182827	211656704	/nfs/dbraw/zinc/65/67/04/211656704.db2.gz	MTVAINAHAGJJBP-UHFFFAOYSA-N	-1	0	362.820	1.959	40	0		FDABRM
O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1	ZINC000020152478	211270777	/nfs/dbraw/zinc/27/07/77/211270777.db2.gz	APRLCLBSHVZTTO-UHFFFAOYSA-N	-1	0	358.375	1.918	40	0		FDABRM
CS(=O)(=O)N(Cc1ncc(C(=O)[O-])c(=O)[nH]1)c1ccc(Cl)cc1	ZINC000020134286	211268918	/nfs/dbraw/zinc/26/89/18/211268918.db2.gz	ADLFGIXRRRNJRK-UHFFFAOYSA-N	-1	0	357.775	1.088	40	0		FDABRM
CS(=O)(=O)C1C(=O)C(=O)N(CCCC(=O)[O-])[C@@H]1c1ccccc1F	ZINC000019879760	211260276	/nfs/dbraw/zinc/26/02/76/211260276.db2.gz	YQAKOICDJOMFQO-GFCCVEGCSA-N	-1	0	357.359	1.388	40	0		FDABRM
CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3	ZINC000100242963	222239873	/nfs/dbraw/zinc/23/98/73/222239873.db2.gz	DHMFOASDSYIIDS-INIZCTEOSA-N	-1	0	371.441	1.803	40	0		FDABRM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000408974881	263512814	/nfs/dbraw/zinc/51/28/14/263512814.db2.gz	HWQCWNMPKZBGHN-SNVBAGLBSA-N	-1	0	351.746	1.362	40	0		FDABRM
CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Cl)c1OCC(=O)[O-]	ZINC000409043429	263518763	/nfs/dbraw/zinc/51/87/63/263518763.db2.gz	QTNANUMTMZOBPJ-UHFFFAOYSA-N	-1	0	372.757	1.932	40	0		FDABRM
CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)[N-]C2=O)cc1OCC	ZINC000409042360	263519347	/nfs/dbraw/zinc/51/93/47/263519347.db2.gz	MOIQQMDKYVMQOQ-IZZDOVSWSA-N	-1	0	368.773	1.861	40	0		FDABRM
Cc1nn(CCCNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C)c1Cl	ZINC000006921006	518393781	/nfs/dbraw/zinc/39/37/81/518393781.db2.gz	KPSPKXULKTWTAU-XQHKEYJVSA-N	-1	0	355.822	1.538	40	0		FDABRM
CCCCC/C=C/C1=C(CO)[C@@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)[O-])[C@@H]1O	ZINC000035270754	519602132	/nfs/dbraw/zinc/60/21/32/519602132.db2.gz	AGWIINKICRXDEB-NEWXSUBSSA-N	-1	0	352.427	1.706	40	0	biogenic,in-vitro	FDABRM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O)cc1	ZINC000257344869	534546879	/nfs/dbraw/zinc/54/68/79/534546879.db2.gz	ZYZMYRQLJMBTQH-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
CCc1nnc([N-]c2cc(C)nc([C@H]3CCN(C(=O)COC)C3)n2)s1	ZINC000072382532	522229190	/nfs/dbraw/zinc/22/91/90/522229190.db2.gz	YIFRQNMUJMCOQM-NSHDSACASA-N	-1	0	362.459	1.905	40	0		FDABRM
CN(Cc1nc(N)cc(SCC(=O)[O-])n1)S(=O)(=O)c1ccccc1	ZINC000049470198	522845130	/nfs/dbraw/zinc/84/51/30/522845130.db2.gz	YQWTWONZJDJNBR-UHFFFAOYSA-N	-1	0	368.440	1.056	40	0		FDABRM
O=C([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccn2)cc1	ZINC000067897144	523626226	/nfs/dbraw/zinc/62/62/26/523626226.db2.gz	SOAGXVZZEPFTPE-MSOLQXFVSA-N	-1	0	367.405	1.392	40	0	biogenic,in-vitro	FDABRM
Cc1nc(-c2ccccc2C(=O)[O-])cc([C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257288664	534864474	/nfs/dbraw/zinc/86/44/74/534864474.db2.gz	PVCNGIZTTHGNHS-GFCCVEGCSA-N	-1	0	361.423	1.899	40	0		FDABRM
COCCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)[O-]	ZINC000217665135	537455839	/nfs/dbraw/zinc/45/58/39/537455839.db2.gz	OGLPRKMVTYEENC-LLVKDONJSA-N	-1	0	360.432	1.146	40	0		FDABRM
COC[C@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O	ZINC000218196167	537461005	/nfs/dbraw/zinc/46/10/05/537461005.db2.gz	FGCLEQCOCZDXJJ-MDZLAQPJSA-N	-1	0	363.229	1.677	40	0		FDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2cccnc2)s1	ZINC000225127195	537544459	/nfs/dbraw/zinc/54/44/59/537544459.db2.gz	IRMGLQHUNUKIRK-UHFFFAOYSA-N	-1	0	355.445	1.396	40	0		FDABRM
Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3C(N)=O)cc2sc1=O	ZINC000225679927	537556556	/nfs/dbraw/zinc/55/65/56/537556556.db2.gz	YIVLWFNSLQZYDJ-UHFFFAOYSA-N	-1	0	363.420	1.500	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)s1	ZINC000225818252	537561523	/nfs/dbraw/zinc/56/15/23/537561523.db2.gz	DUOXBZKCJBDFCI-UHFFFAOYSA-N	-1	0	356.473	1.744	40	0		FDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3cccs3)ccc21	ZINC000585274480	551576709	/nfs/dbraw/zinc/57/67/09/551576709.db2.gz	YMDPANFTNIVTAD-UHFFFAOYSA-N	-1	0	354.434	1.780	40	0		FDABRM
Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000217394839	568181556	/nfs/dbraw/zinc/18/15/56/568181556.db2.gz	AEWIGESYBSUXHS-UHFFFAOYSA-N	-1	0	357.775	1.160	40	0		FDABRM
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1F	ZINC000647927940	570760553	/nfs/dbraw/zinc/76/05/53/570760553.db2.gz	AKNFYLFGNIGNKQ-ZDUSSCGKSA-N	-1	0	354.359	1.204	40	0		FDABRM
CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C(F)(F)C2)c1C	ZINC000289677864	571145978	/nfs/dbraw/zinc/14/59/78/571145978.db2.gz	LEEJAKRUQRWIKQ-JTQLQIEISA-N	-1	0	351.375	1.250	40	0		FDABRM
CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c2ccccc12	ZINC000262390286	571342843	/nfs/dbraw/zinc/34/28/43/571342843.db2.gz	IIWXLOSQKXBXOJ-SNVBAGLBSA-N	-1	0	350.396	1.892	40	0		FDABRM
COCCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1	ZINC000217598908	222672608	/nfs/dbraw/zinc/67/26/08/222672608.db2.gz	BVAMSMYGJSJGBG-UHFFFAOYSA-N	-1	0	374.459	1.537	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cc(-c3ccc(C(=O)[O-])cc3)ncn2)C1	ZINC000257254503	223038866	/nfs/dbraw/zinc/03/88/66/223038866.db2.gz	KDIKAIKNXPRBTL-GFCCVEGCSA-N	-1	0	361.423	1.666	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257270993	223045264	/nfs/dbraw/zinc/04/52/64/223045264.db2.gz	MWKRSZGOFWTDDB-LBPRGKRZSA-N	-1	0	356.382	1.274	40	0		FDABRM
Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)cc1	ZINC000257287456	223051077	/nfs/dbraw/zinc/05/10/77/223051077.db2.gz	PQBBERZWAQTYKO-QZTJIDSGSA-N	-1	0	355.390	1.886	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cnc(-c3ccccc3C(=O)[O-])cn2)C1	ZINC000257318015	223064137	/nfs/dbraw/zinc/06/41/37/223064137.db2.gz	VMDANCQDVOHMOB-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
Cc1cc(N2CC[C@@](O)(CNC(=O)CCCC(=O)[O-])C2)c2cnccc2n1	ZINC000257328356	223067425	/nfs/dbraw/zinc/06/74/25/223067425.db2.gz	XFGSEOBMIDXMKW-LJQANCHMSA-N	-1	0	372.425	1.251	40	0		FDABRM
CN(Cc1ccccc1)C(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)CCC(=O)[O-]	ZINC000015676114	220160901	/nfs/dbraw/zinc/16/09/01/220160901.db2.gz	YXOTYLFEIQFJJE-INIZCTEOSA-N	-1	0	370.409	1.186	40	0	biogenic,in-vitro	FDABRM
Cc1ccc(CN2CCN(C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)[O-])CC2)cc1	ZINC000017073594	220202230	/nfs/dbraw/zinc/20/22/30/220202230.db2.gz	PNCDCWBGQYHWQO-OWSLCNJRSA-N	-1	0	356.422	1.293	40	0		FDABRM
COc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccccc4)=NOC3=C2[O-])cc1	ZINC000018087571	220223870	/nfs/dbraw/zinc/22/38/70/220223870.db2.gz	OPOZTSJIWVLSJW-RHSMWYFYSA-N	-1	0	350.330	1.822	40	0		FDABRM
Cn1cnc(S(=O)(=O)[N-]c2ccc([C@@H]3CCc4nncn4C3)cc2)c1	ZINC000019699176	220286336	/nfs/dbraw/zinc/28/63/36/220286336.db2.gz	HNYZDKUGJCANMF-CYBMUJFWSA-N	-1	0	358.427	1.542	40	0		FDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N[C@@H](C)c1cnn(C)c1C	ZINC000019716661	220290244	/nfs/dbraw/zinc/29/02/44/220290244.db2.gz	APKZEEDIWQVBDV-ZETCQYMHSA-N	-1	0	357.461	1.356	40	0		FDABRM
CS(=O)(=O)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257287892	533391118	/nfs/dbraw/zinc/39/11/18/533391118.db2.gz	PRWVGEQUAIIFFA-NSHDSACASA-N	-1	0	362.411	1.376	40	0		FDABRM
CSc1ncc(C(=O)N2CCCC2)c(N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000225011022	132284093	/nfs/dbraw/zinc/28/40/93/132284093.db2.gz	MKYGXDPKMQQTBS-LLVKDONJSA-N	-1	0	350.444	1.736	40	0		FDABRM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccc(N(C)C)cc1)CC2	ZINC000096157059	222058108	/nfs/dbraw/zinc/05/81/08/222058108.db2.gz	BROWALSQFAGHPO-KRWDZBQOSA-N	-1	0	373.453	1.680	40	0		FDABRM
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)[O-]	ZINC000408738973	263493946	/nfs/dbraw/zinc/49/39/46/263493946.db2.gz	XJQWVGHKLWCEKW-OAHLLOKOSA-N	-1	0	361.398	1.662	40	0		FDABRM
COc1ccccc1Nc1cc(-c2ccncc2)nc(NCC(=O)[O-])n1	ZINC000328966260	534163311	/nfs/dbraw/zinc/16/33/11/534163311.db2.gz	CKLCTUQRQRSVHV-UHFFFAOYSA-N	-1	0	351.366	1.631	40	0		FDABRM
CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)-c1ccccc1C2=O)C(=O)[O-]	ZINC000001721147	518234135	/nfs/dbraw/zinc/23/41/35/518234135.db2.gz	BOYWLMZPQOQQHS-INIZCTEOSA-N	-1	0	352.346	1.816	40	0		FDABRM
CN1c2ccccc2C(=N[N-]c2ncc(F)c(N3CCOCC3)n2)C1=O	ZINC000008091849	518453049	/nfs/dbraw/zinc/45/30/49/518453049.db2.gz	BFZFTEUIFXXHPY-STZFKDTASA-N	-1	0	356.361	1.245	40	0		FDABRM
CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1	ZINC000009926534	518520231	/nfs/dbraw/zinc/52/02/31/518520231.db2.gz	JQMLBNDVXQERQP-OAHLLOKOSA-N	-1	0	359.382	1.074	40	0		FDABRM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000010151733	518529663	/nfs/dbraw/zinc/52/96/63/518529663.db2.gz	WMGBNUHUNCSNIF-JKSUJKDBSA-N	-1	0	372.421	1.727	40	0		FDABRM
COc1ccc(NC(=O)Cc2nn3c([n-]2)nc2c(c3=O)CCCC2)cc1	ZINC000016217125	518746988	/nfs/dbraw/zinc/74/69/88/518746988.db2.gz	SVDNLRKNHLTRPF-UHFFFAOYSA-N	-1	0	353.382	1.486	40	0		FDABRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Cl)[C@H](C(=O)[O-])C1	ZINC000079440052	523749666	/nfs/dbraw/zinc/74/96/66/523749666.db2.gz	LQAVNMCCVSWEKN-NSHDSACASA-N	-1	0	369.805	1.881	40	0		FDABRM
CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2Cl)[C@@H](C(=O)[O-])C1	ZINC000079440053	523749992	/nfs/dbraw/zinc/74/99/92/523749992.db2.gz	LQAVNMCCVSWEKN-LLVKDONJSA-N	-1	0	369.805	1.881	40	0		FDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)COC	ZINC000217510148	537455052	/nfs/dbraw/zinc/45/50/52/537455052.db2.gz	ZDNKJINANAADQS-GFCCVEGCSA-N	-1	0	374.459	1.537	40	0		FDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000223669326	537530674	/nfs/dbraw/zinc/53/06/74/537530674.db2.gz	BZIPNNOXSHOTBG-UHFFFAOYSA-N	-1	0	369.420	1.678	40	0		FDABRM
O=C([O-])CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1	ZINC000224912193	537542344	/nfs/dbraw/zinc/54/23/44/537542344.db2.gz	FBYIDKJIJIBFRD-UHFFFAOYSA-N	-1	0	353.327	1.834	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSC2CCCCC2)s1	ZINC000225557494	537553655	/nfs/dbraw/zinc/55/36/55/537553655.db2.gz	UKHCPGBBXXDUDE-UHFFFAOYSA-N	-1	0	364.518	1.841	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)s1	ZINC000225572430	537554144	/nfs/dbraw/zinc/55/41/44/537554144.db2.gz	DEYCLDYFIQFABW-JTQLQIEISA-N	-1	0	370.456	1.632	40	0		FDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cc(C)no3)cc2NC1=O	ZINC000585281905	551578940	/nfs/dbraw/zinc/57/89/40/551578940.db2.gz	SWQBGZPYTUEUCH-LLVKDONJSA-N	-1	0	365.367	1.211	40	0		FDABRM
CS(=O)(=O)c1nnc(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)[n-]1	ZINC000530262533	539923794	/nfs/dbraw/zinc/92/37/94/539923794.db2.gz	SPTCBRYZULFDIT-SECBINFHSA-N	-1	0	358.326	1.247	40	0		FDABRM
COc1cccc([C@H](CC(=O)[O-])NC(=S)Nc2cc(OC)ncn2)c1	ZINC000225219995	222831493	/nfs/dbraw/zinc/83/14/93/222831493.db2.gz	XBPCHVVWGWEIJT-LBPRGKRZSA-N	-1	0	362.411	1.996	40	0		FDABRM
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCC(=O)[O-])C2)c2cnccc2n1	ZINC000257207018	223018344	/nfs/dbraw/zinc/01/83/44/223018344.db2.gz	BFZCDTOZNTYODC-LJQANCHMSA-N	-1	0	372.425	1.203	40	0		FDABRM
CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000005018799	219640203	/nfs/dbraw/zinc/64/02/03/219640203.db2.gz	POYKCYHNXPUISY-BJMVGYQFSA-N	-1	0	354.746	1.725	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccn2)n1	ZINC000329016416	223129613	/nfs/dbraw/zinc/12/96/13/223129613.db2.gz	NGAHTGLJUOYDHF-UHFFFAOYSA-N	-1	0	371.347	1.769	40	0		FDABRM
CC(C)c1noc([C@@H]2C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])CN2C)n1	ZINC000012529948	220003387	/nfs/dbraw/zinc/00/33/87/220003387.db2.gz	OJKOIMKYEQPLGY-RYUDHWBXSA-N	-1	0	352.435	1.945	40	0	biogenic,in-vitro	FDABRM
Nn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccco1	ZINC000016755918	220193610	/nfs/dbraw/zinc/19/36/10/220193610.db2.gz	KBMLEFKFPHMEAL-UHFFFAOYSA-N	-1	0	359.367	1.681	40	0		FDABRM
CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(C)=O)[n-]n3c(=O)c2C1	ZINC000019017916	220233843	/nfs/dbraw/zinc/23/38/43/220233843.db2.gz	WHIZVZQELVPWOR-INIZCTEOSA-N	-1	0	357.414	1.413	40	0		FDABRM
CS(=O)(=O)N1CCC(c2nccnc2-c2cncc(C(=O)[O-])c2)CC1	ZINC000257215813	533382641	/nfs/dbraw/zinc/38/26/41/533382641.db2.gz	CRTVXAPMBKJRAW-UHFFFAOYSA-N	-1	0	362.411	1.376	40	0		FDABRM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1N1CCOCC1	ZINC000004535504	132823621	/nfs/dbraw/zinc/82/36/21/132823621.db2.gz	KFAZNOBXQANDNL-LZDSYCOUSA-N	-1	0	368.389	1.533	40	0		FDABRM
COc1cccc(N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)c1	ZINC000006714786	132833941	/nfs/dbraw/zinc/83/39/41/132833941.db2.gz	KUUWFNGPAWIKMU-BODMPHMZSA-N	-1	0	356.422	1.867	40	0		FDABRM
Cc1cnc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])nc1Cl	ZINC000072203178	136143800	/nfs/dbraw/zinc/14/38/00/136143800.db2.gz	PXTJWGCKWMMYJO-JTQLQIEISA-N	-1	0	356.810	1.949	40	0		FDABRM
O=C([O-])C1=CN(Cc2ccccc2F)S(=O)(=O)N=C1C(F)(F)F	ZINC000096516566	222122253	/nfs/dbraw/zinc/12/22/53/222122253.db2.gz	FBRKCRVMWUIWIU-UHFFFAOYSA-N	-1	0	352.265	1.858	40	0		FDABRM
Cc1cc(=O)n2[n-]c(C3CCN(C(=O)CCCn4cncn4)CC3)cc2n1	ZINC000100137504	222235745	/nfs/dbraw/zinc/23/57/45/222235745.db2.gz	VLPOXQICAMNNGH-UHFFFAOYSA-N	-1	0	369.429	1.521	40	0		FDABRM
CC1(C)S[C@H]2[C@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000005415538	263341222	/nfs/dbraw/zinc/34/12/22/263341222.db2.gz	UVSYGDAIZHLVBZ-SCVCMEIPSA-N	-1	0	369.830	1.977	40	0		FDABRM
Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCC(=O)[O-])C2)c2cnccc2n1	ZINC000257207017	533912540	/nfs/dbraw/zinc/91/25/40/533912540.db2.gz	BFZCDTOZNTYODC-IBGZPJMESA-N	-1	0	372.425	1.203	40	0		FDABRM
COc1cc(Cc2c([O-])n(C)c(=S)n(C)c2=O)cc(OC)c1OC	ZINC000001438776	518232824	/nfs/dbraw/zinc/23/28/24/518232824.db2.gz	XADYNGPCKXXAOG-UHFFFAOYSA-N	-1	0	352.412	1.086	40	0		FDABRM
NC(=O)SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000004362831	518296220	/nfs/dbraw/zinc/29/62/20/518296220.db2.gz	CDYGABFPNWILRB-UHFFFAOYSA-N	-1	0	366.424	1.633	40	0		FDABRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccc(O)cc3OC(=O)[C@@H]21	ZINC000004597814	518304892	/nfs/dbraw/zinc/30/48/92/518304892.db2.gz	XLLALKBLIJIEGD-NRPADANISA-N	-1	0	351.361	1.780	40	0		FDABRM
COc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824038	518355349	/nfs/dbraw/zinc/35/53/49/518355349.db2.gz	ZXVIFYTUOVPUQV-MQNRADLISA-N	-1	0	358.375	1.331	40	0		FDABRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1	ZINC000005900072	518359441	/nfs/dbraw/zinc/35/94/41/518359441.db2.gz	OGRZJQLKMSUFFH-UHFFFAOYSA-N	-1	0	350.371	1.832	40	0		FDABRM
COC(=O)c1cc([N-]S(=O)(=O)c2c(C)noc2C)cc(C(=O)OC)c1	ZINC000006553266	518376059	/nfs/dbraw/zinc/37/60/59/518376059.db2.gz	SXXZRNFBXBOLSN-UHFFFAOYSA-N	-1	0	368.367	1.665	40	0		FDABRM
CCn1ncc(Cn2cc(NC(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])cn2)c1C	ZINC000006633841	518379597	/nfs/dbraw/zinc/37/95/97/518379597.db2.gz	PPQOYZMMWPSTTC-QXSJWSMHSA-N	-1	0	373.413	1.273	40	0		FDABRM
COc1cccc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)c1	ZINC000006727178	518383127	/nfs/dbraw/zinc/38/31/27/518383127.db2.gz	QPWGHFYPCHTRPZ-JFRXWTBNSA-N	-1	0	370.449	1.862	40	0		FDABRM
Cc1ccc(CC[N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1	ZINC000006822965	518388570	/nfs/dbraw/zinc/38/85/70/518388570.db2.gz	CPFGSXLDCHKDBZ-UHFFFAOYSA-N	-1	0	363.464	1.894	40	0		FDABRM
CCn1nc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C	ZINC000012117082	518589377	/nfs/dbraw/zinc/58/93/77/518589377.db2.gz	FZEPKVWIWJCTOM-JTQLQIEISA-N	-1	0	350.400	1.732	40	0		FDABRM
COc1cccc(OC)c1C(=O)NC(=S)[N-]n1c(C)nnc1SC	ZINC000033662284	519589458	/nfs/dbraw/zinc/58/94/58/519589458.db2.gz	BNUQUFVWGOVWFS-UHFFFAOYSA-N	-1	0	367.456	1.584	40	0		FDABRM
O=C([O-])Cc1ccc(O[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2O)cc1	ZINC000257239616	534505997	/nfs/dbraw/zinc/50/59/97/534505997.db2.gz	HQDHLKJZWKWRPI-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
Cc1nnc([N-]c2cc([C@@H]3CCCN3S(C)(=O)=O)nc(C)n2)s1	ZINC000072360241	522224180	/nfs/dbraw/zinc/22/41/80/522224180.db2.gz	JMINQQHZHXKLGL-NSHDSACASA-N	-1	0	354.461	1.785	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1	ZINC000136308708	524192776	/nfs/dbraw/zinc/19/27/76/524192776.db2.gz	AGMFVBZHNYTSQB-MVJTYMMSSA-N	-1	0	358.413	1.993	40	0		FDABRM
COC[C@@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O	ZINC000218196406	537461405	/nfs/dbraw/zinc/46/14/05/537461405.db2.gz	FGCLEQCOCZDXJJ-GMXVVIOVSA-N	-1	0	363.229	1.677	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCSC(C)(C)C)s1	ZINC000225833615	537562293	/nfs/dbraw/zinc/56/22/93/537562293.db2.gz	AYGMGDNFFXUYRV-UHFFFAOYSA-N	-1	0	366.534	1.943	40	0		FDABRM
Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1	ZINC000585272068	551576407	/nfs/dbraw/zinc/57/64/07/551576407.db2.gz	LCCZIMXUUVOACX-UHFFFAOYSA-N	-1	0	361.379	1.148	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3[nH]2)C1	ZINC000514289512	560032391	/nfs/dbraw/zinc/03/23/91/560032391.db2.gz	MZITZOXTLRWQFI-RYUDHWBXSA-N	-1	0	351.428	1.478	40	0	biogenic,in-vitro	FDABRM
Cn1c2ccccc2n(CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1=O	ZINC000653333075	570618319	/nfs/dbraw/zinc/61/83/19/570618319.db2.gz	KUMAZPVQHRXQHO-GJZGRUSLSA-N	-1	0	365.389	1.769	40	0		FDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CO)C(=O)[O-]	ZINC000242547617	571107389	/nfs/dbraw/zinc/10/73/89/571107389.db2.gz	KNHZHRMPRMFWBY-WZRBSPASSA-N	-1	0	363.229	1.413	40	0		FDABRM
CCn1cc(NS(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)ccc1=O	ZINC000271627211	571143448	/nfs/dbraw/zinc/14/34/48/571143448.db2.gz	OFJWXLXBMUBQOU-UHFFFAOYSA-N	-1	0	366.395	1.305	40	0		FDABRM
O=C([O-])[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242575069	571167971	/nfs/dbraw/zinc/16/79/71/571167971.db2.gz	NQRJUERJIVZLHG-ZMSDIMECSA-N	-1	0	350.367	1.829	40	0		FDABRM
O=C([O-])c1ccccc1CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000212912065	222636324	/nfs/dbraw/zinc/63/63/24/222636324.db2.gz	GMGFURWZPJZORB-DZGCQCFKSA-N	-1	0	352.390	1.735	40	0		FDABRM
CC(C)CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1	ZINC000217496787	222671052	/nfs/dbraw/zinc/67/10/52/222671052.db2.gz	DUINZXKAQATRPL-CYBMUJFWSA-N	-1	0	356.444	1.910	40	0		FDABRM
CC(=O)NC(=C(C)C)C(=O)N[C@H](CSCc1ccccc1)C(=O)[O-]	ZINC000005601283	219691131	/nfs/dbraw/zinc/69/11/31/219691131.db2.gz	KJFCXOHNGMNKNU-CQSZACIVSA-N	-1	0	350.440	1.919	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)C1	ZINC000257327542	223066872	/nfs/dbraw/zinc/06/68/72/223066872.db2.gz	XBTULABZPFSGHX-GFCCVEGCSA-N	-1	0	356.382	1.274	40	0		FDABRM
Cc1nonc1CC(=O)N1CCCC[C@@H]1c1cc2nc(C)cc(=O)n2[n-]1	ZINC000012161090	219962380	/nfs/dbraw/zinc/96/23/80/219962380.db2.gz	IMRXXQOBWWCFDT-CQSZACIVSA-N	-1	0	356.386	1.731	40	0		FDABRM
CC1(C)C[C@@H]1C(=O)N/C(=C/CCCCSC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000013549848	220073174	/nfs/dbraw/zinc/07/31/74/220073174.db2.gz	DHSUYTOATWAVLW-ZOINEBSPSA-N	-1	0	358.460	1.433	40	0		FDABRM
O=C([O-])c1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2cccnc2)cc1	ZINC000067897127	221302930	/nfs/dbraw/zinc/30/29/30/221302930.db2.gz	ZSSCTXFANCBQTA-MSOLQXFVSA-N	-1	0	367.405	1.392	40	0	biogenic,in-vitro	FDABRM
CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)/C=C/C(=O)[O-]	ZINC000257267568	132295838	/nfs/dbraw/zinc/29/58/38/132295838.db2.gz	MHWGGZAIALXYCR-SNAWJCMRSA-N	-1	0	370.409	1.060	40	0		FDABRM
CSc1nccc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])n1	ZINC000072203525	136143835	/nfs/dbraw/zinc/14/38/35/136143835.db2.gz	MWXNLCZXFUJQRX-JTQLQIEISA-N	-1	0	354.432	1.709	40	0		FDABRM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000101273666	222266155	/nfs/dbraw/zinc/26/61/55/222266155.db2.gz	QZXBDPLUBSEOKX-NEPJUHHUSA-N	-1	0	370.814	1.294	40	0		FDABRM
CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100771201	222253318	/nfs/dbraw/zinc/25/33/18/222253318.db2.gz	ZVDLSJPOZVWMBQ-OWYFMNJBSA-N	-1	0	369.506	1.508	40	0		FDABRM
CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)[O-]	ZINC000002097069	518235968	/nfs/dbraw/zinc/23/59/68/518235968.db2.gz	OQKPFTGTVANENL-XQQFMLRXSA-N	-1	0	365.455	1.183	40	0		FDABRM
COC(=O)c1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc(C(=O)OC)c1	ZINC000004628714	518307723	/nfs/dbraw/zinc/30/77/23/518307723.db2.gz	CZQZRGWTZWIFML-QPNXVFALSA-N	-1	0	373.361	1.721	40	0		FDABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\N1CCc2ccccc2C1	ZINC000033727846	519589433	/nfs/dbraw/zinc/58/94/33/519589433.db2.gz	HKPUMCZXHUTWKR-VBKFSLOCSA-N	-1	0	351.362	1.800	40	0		FDABRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)n1ccc2c(cnc3ncnn32)c1=O	ZINC000040372755	519642688	/nfs/dbraw/zinc/64/26/88/519642688.db2.gz	FULPUHBRZJYOKU-INIZCTEOSA-N	-1	0	374.360	1.789	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(OC)c1	ZINC000045865961	522180237	/nfs/dbraw/zinc/18/02/37/522180237.db2.gz	ICBPKFCFFADWDX-UHFFFAOYSA-N	-1	0	371.436	1.908	40	0		FDABRM
O=C([O-])c1ccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cc1	ZINC000085436177	524358110	/nfs/dbraw/zinc/35/81/10/524358110.db2.gz	FIDWLTYZJSLDCI-GOSISDBHSA-N	-1	0	366.421	1.902	40	0	biogenic,in-vitro	FDABRM
COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000107641278	525903671	/nfs/dbraw/zinc/90/36/71/525903671.db2.gz	JVXFLXMODHBLGN-IZZDOVSWSA-N	-1	0	374.374	1.911	40	0		FDABRM
CC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[n-]2)C1	ZINC000257249831	526653139	/nfs/dbraw/zinc/65/31/39/526653139.db2.gz	JJYCVQFKHBZAGY-CQSZACIVSA-N	-1	0	373.457	1.536	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@@H](Cc2ccc3nccn3c2)C1	ZINC000257313950	526970991	/nfs/dbraw/zinc/97/09/91/526970991.db2.gz	UUUMVNIIGDINDD-LSDHHAIUSA-N	-1	0	359.426	1.587	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@H](O)[C@H](Cc2cccn3nccc23)C1	ZINC000257302503	526971581	/nfs/dbraw/zinc/97/15/81/526971581.db2.gz	SDDSJVKHXXIWSN-ZBFHGGJFSA-N	-1	0	359.426	1.587	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H]2NC(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000005397348	534989055	/nfs/dbraw/zinc/98/90/55/534989055.db2.gz	QFJNBDWDUDHZNZ-CJNGLKHVSA-N	-1	0	373.409	1.603	40	0	biogenic,in-vitro	FDABRM
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)[O-])cc1	ZINC000218098363	537459816	/nfs/dbraw/zinc/45/98/16/537459816.db2.gz	FQVVFNIRUDSZMG-BQFCYCMXSA-N	-1	0	362.403	1.698	40	0		FDABRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2nnc(SC)s2)ccc1OC	ZINC000223377203	537524119	/nfs/dbraw/zinc/52/41/19/537524119.db2.gz	UPYQYBMIVVHHHK-UHFFFAOYSA-N	-1	0	374.469	1.429	40	0		FDABRM
COCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000225098363	537542372	/nfs/dbraw/zinc/54/23/72/537542372.db2.gz	WNJLETQGPDVVKX-UHFFFAOYSA-N	-1	0	356.429	1.024	40	0		FDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccccn2)s1	ZINC000225647789	537555234	/nfs/dbraw/zinc/55/52/34/537555234.db2.gz	BDMNZOHPHRPOBK-UHFFFAOYSA-N	-1	0	355.445	1.396	40	0		FDABRM
COc1ccc(C)cc1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCOCC1	ZINC000564854165	547068808	/nfs/dbraw/zinc/06/88/08/547068808.db2.gz	JVMWZJFIJGERHA-ZDUSSCGKSA-N	-1	0	357.428	1.409	40	0		FDABRM
Cn1c2ccccc2n(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1=O	ZINC000653333077	570618330	/nfs/dbraw/zinc/61/83/30/570618330.db2.gz	KUMAZPVQHRXQHO-LSDHHAIUSA-N	-1	0	365.389	1.769	40	0		FDABRM
COc1ccc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)cc1OC	ZINC000329032766	571107864	/nfs/dbraw/zinc/10/78/64/571107864.db2.gz	QPTOQYMHMLFRMX-UHFFFAOYSA-N	-1	0	372.303	1.597	40	0		FDABRM
COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262413251	571343382	/nfs/dbraw/zinc/34/33/82/571343382.db2.gz	PSDCJUKJEAKCJS-NSHDSACASA-N	-1	0	361.391	1.336	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000006742004	219764588	/nfs/dbraw/zinc/76/45/88/219764588.db2.gz	ZITSWVTWVKXAFX-OHFALNGGSA-N	-1	0	372.421	1.844	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cnc(-c3ccccc3C(=O)[O-])cn2)C1	ZINC000257318014	223065022	/nfs/dbraw/zinc/06/50/22/223065022.db2.gz	VMDANCQDVOHMOB-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2c(C)noc2C)c1	ZINC000016120402	220178782	/nfs/dbraw/zinc/17/87/82/220178782.db2.gz	KNQUTOUUNDBVAF-UHFFFAOYSA-N	-1	0	368.367	1.665	40	0		FDABRM
Cc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-]	ZINC000016101334	220178890	/nfs/dbraw/zinc/17/88/90/220178890.db2.gz	SXBJSGODPVXFCX-UHFFFAOYSA-N	-1	0	370.408	1.141	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)C1	ZINC000257211971	533394801	/nfs/dbraw/zinc/39/48/01/533394801.db2.gz	CBIXSSYJNMCNJY-NSHDSACASA-N	-1	0	362.411	1.061	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@@H]3CCCN(C(=O)[C@@H](C)N4CCCC4=O)C3)cc2n1	ZINC000100137915	222237422	/nfs/dbraw/zinc/23/74/22/222237422.db2.gz	YAOSEVNRPXOGHN-ZIAGYGMSSA-N	-1	0	371.441	1.460	40	0		FDABRM
COc1cc(Br)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1O	ZINC000408587400	263476383	/nfs/dbraw/zinc/47/63/83/263476383.db2.gz	BQZVPCSKOMNGKP-FPYGCLRLSA-N	-1	0	371.143	1.141	40	0		FDABRM
Cc1cc2nc([C@H]3CCCCN3CC(=O)N3CCOCC3)cc(=O)n2[n-]1	ZINC000257342385	534134239	/nfs/dbraw/zinc/13/42/39/534134239.db2.gz	ZOIZBEXCICXUTK-OAHLLOKOSA-N	-1	0	359.430	1.129	40	0		FDABRM
Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1	ZINC000003825290	518279767	/nfs/dbraw/zinc/27/97/67/518279767.db2.gz	ZAHQBPYQBHTECE-LLVKDONJSA-N	-1	0	351.409	1.276	40	0		FDABRM
Cc1ccc(S(=O)(=O)NNc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1	ZINC000004225035	518290604	/nfs/dbraw/zinc/29/06/04/518290604.db2.gz	FJFRLZHUUGNAMG-UHFFFAOYSA-N	-1	0	371.422	1.782	40	0		FDABRM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC000012147720	518592447	/nfs/dbraw/zinc/59/24/47/518592447.db2.gz	AGOHCVVFEUTYOT-SNVBAGLBSA-N	-1	0	350.400	1.557	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCN3C(=O)Cc3nonc3C)cc2n1	ZINC000012276514	518599009	/nfs/dbraw/zinc/59/90/09/518599009.db2.gz	INCNLZCMBXLYGR-CQSZACIVSA-N	-1	0	356.386	1.595	40	0		FDABRM
O=C([O-])c1cc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1N1CCOCC1	ZINC000013388679	518657126	/nfs/dbraw/zinc/65/71/26/518657126.db2.gz	ROKYNMWYXSKGTI-OKILXGFUSA-N	-1	0	358.394	1.901	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)s1	ZINC000036182884	519618898	/nfs/dbraw/zinc/61/88/98/519618898.db2.gz	VZLQINIAOLURHK-UHFFFAOYSA-N	-1	0	367.456	1.898	40	0		FDABRM
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000044563883	521967273	/nfs/dbraw/zinc/96/72/73/521967273.db2.gz	KQKLTVHOEKAAQH-RYUDHWBXSA-N	-1	0	358.435	1.770	40	0		FDABRM
COCCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	ZINC000217604930	523964546	/nfs/dbraw/zinc/96/45/46/523964546.db2.gz	BMPGRIJHQGQLTB-UHFFFAOYSA-N	-1	0	364.423	1.922	40	0		FDABRM
COC(=O)Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)c(Br)c1	ZINC000090514040	524601034	/nfs/dbraw/zinc/60/10/34/524601034.db2.gz	PFKBWCQOGKNPGK-JTQLQIEISA-N	-1	0	362.201	1.055	40	0		FDABRM
O=C([O-])c1ccc(NCCO)c(S(=O)(=O)NCCC2=CCCCC2)c1	ZINC000217454137	526378903	/nfs/dbraw/zinc/37/89/03/526378903.db2.gz	GAJHGWFNBKRDCN-UHFFFAOYSA-N	-1	0	368.455	1.958	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NCCO	ZINC000217582684	537455170	/nfs/dbraw/zinc/45/51/70/537455170.db2.gz	XFRVKGIPJVGFIP-UHFFFAOYSA-N	-1	0	356.444	1.790	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)s1	ZINC000223082186	537516242	/nfs/dbraw/zinc/51/62/42/537516242.db2.gz	CTLMRYXEISWORY-UHFFFAOYSA-N	-1	0	372.428	1.705	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)s1	ZINC000223133230	537519702	/nfs/dbraw/zinc/51/97/02/537519702.db2.gz	VEJSNLWDQMTDIN-UHFFFAOYSA-N	-1	0	370.412	1.474	40	0		FDABRM
C[C@@H]1CN(C(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)C[C@@]2(CCOC2)O1	ZINC000634919780	558542963	/nfs/dbraw/zinc/54/29/63/558542963.db2.gz	VBKPDBPZNUCXHK-UPRAQXHNSA-N	-1	0	365.401	1.965	40	0		FDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC	ZINC000217468976	568186254	/nfs/dbraw/zinc/18/62/54/568186254.db2.gz	DNZYVDZPMOPQOV-UHFFFAOYSA-N	-1	0	360.432	1.148	40	0		FDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1	ZINC000217499018	568188176	/nfs/dbraw/zinc/18/81/76/568188176.db2.gz	UMTXFIILHVRUOY-CYBMUJFWSA-N	-1	0	372.443	1.291	40	0		FDABRM
O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)Cc1cccc2cccnc21	ZINC000647928110	570760609	/nfs/dbraw/zinc/76/06/09/570760609.db2.gz	DWWXDSAXFILWAR-MRXNPFEDSA-N	-1	0	371.418	1.745	40	0		FDABRM
CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000254592515	571292010	/nfs/dbraw/zinc/29/20/10/571292010.db2.gz	UVSYGDAIZHLVBZ-JBLDHEPKSA-N	-1	0	369.830	1.977	40	0		FDABRM
CN1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cn2)C[C@@H]1C(N)=O	ZINC000257233430	529773784	/nfs/dbraw/zinc/77/37/84/529773784.db2.gz	GPFJNJHBLPHDGA-QGZVFWFLSA-N	-1	0	354.410	1.048	40	0		FDABRM
CCOC(=O)C(=O)SC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001626953	219413580	/nfs/dbraw/zinc/41/35/80/219413580.db2.gz	UKXXBHVSRTZOMT-NSHDSACASA-N	-1	0	355.368	1.189	40	0		FDABRM
Cc1n[nH]c(C)c1CC(=O)N1CCC(c2cc(=O)n3[n-]ccc3n2)CC1	ZINC000257271353	223045718	/nfs/dbraw/zinc/04/57/18/223045718.db2.gz	MXYOCDBYLPPSBU-UHFFFAOYSA-N	-1	0	354.414	1.724	40	0		FDABRM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000016899957	220195809	/nfs/dbraw/zinc/19/58/09/220195809.db2.gz	ISNDLHIPIULAAM-VXGBXAGGSA-N	-1	0	370.814	1.294	40	0		FDABRM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000545555965	541998579	/nfs/dbraw/zinc/99/85/79/541998579.db2.gz	OPYVFAMINYIPNJ-GFCCVEGCSA-N	-1	0	354.428	1.394	40	0		FDABRM
O=C([N-]N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2CC1)c1ccc(Br)o1	ZINC000020479750	220327283	/nfs/dbraw/zinc/32/72/83/220327283.db2.gz	HKXUFIBIJXJSNP-VVJJBPBLSA-N	-1	0	365.183	1.884	40	0		FDABRM
C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000071614562	221352003	/nfs/dbraw/zinc/35/20/03/221352003.db2.gz	CCMCYVCBDITGSI-BNOWGMLFSA-N	-1	0	366.414	1.073	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3cccc(C(=O)[O-])c3)ncn2)C1	ZINC000257238389	533394675	/nfs/dbraw/zinc/39/46/75/533394675.db2.gz	HKTMVZXURJOSCM-LBPRGKRZSA-N	-1	0	361.423	1.666	40	0		FDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N1CCOc2ccccc21	ZINC000225876127	132287183	/nfs/dbraw/zinc/28/71/83/132287183.db2.gz	PXSBTNVQWCBXIW-UHFFFAOYSA-N	-1	0	353.425	1.862	40	0		FDABRM
CC(C)C(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)CC1	ZINC000057354587	132376425	/nfs/dbraw/zinc/37/64/25/132376425.db2.gz	UGVKKOSGZIJOHA-AWEZNQCLSA-N	-1	0	359.426	1.429	40	0		FDABRM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000101273669	222266964	/nfs/dbraw/zinc/26/69/64/222266964.db2.gz	ISNDLHIPIULAAM-NEPJUHHUSA-N	-1	0	370.814	1.294	40	0		FDABRM
CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000001721146	518234686	/nfs/dbraw/zinc/23/46/86/518234686.db2.gz	IAMASPDALMCULQ-INIZCTEOSA-N	-1	0	352.346	1.816	40	0		FDABRM
CCCC[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](C(=O)C1=O)C2(C)C)C(=O)[O-]	ZINC000002562351	518243743	/nfs/dbraw/zinc/24/37/43/518243743.db2.gz	UNFUZRFLIVWVRD-MMPTUQATSA-N	-1	0	359.444	1.124	40	0		FDABRM
COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000004044047	518285269	/nfs/dbraw/zinc/28/52/69/518285269.db2.gz	BSOQQWLMYGZOQB-PBPUNXIFSA-N	-1	0	369.373	1.526	40	0		FDABRM
CC1(C)S[C@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000005415758	518344672	/nfs/dbraw/zinc/34/46/72/518344672.db2.gz	LTLGHWWAISDESV-FOGDFJRCSA-N	-1	0	369.830	1.977	40	0		FDABRM
COc1ccc(Cn2c([O-])cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1	ZINC000027792821	519198105	/nfs/dbraw/zinc/19/81/05/519198105.db2.gz	PFHOLFGUPJVEJD-UHFFFAOYSA-N	-1	0	368.389	1.829	40	0		FDABRM
CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	ZINC000038425990	519634297	/nfs/dbraw/zinc/63/42/97/519634297.db2.gz	DQUTXVQCNPJDTB-UHFFFAOYSA-N	-1	0	365.480	1.937	40	0		FDABRM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@H]2O)cc1	ZINC000257296324	534546863	/nfs/dbraw/zinc/54/68/63/534546863.db2.gz	RCGMPPQSXSPEAA-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
C[C@H](C(=O)[O-])N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2	ZINC000072326482	522216463	/nfs/dbraw/zinc/21/64/63/522216463.db2.gz	ZLVHYSNXCHQSOG-ABKXIKBNSA-N	-1	0	351.790	1.677	40	0		FDABRM
O=C([O-])CCCCCN(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000217375888	537453987	/nfs/dbraw/zinc/45/39/87/537453987.db2.gz	CSZIXIFYALUMAN-INIZCTEOSA-N	-1	0	367.467	1.890	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1NCCO	ZINC000217604676	537455284	/nfs/dbraw/zinc/45/52/84/537455284.db2.gz	AJSJFJVXUKWGPY-UHFFFAOYSA-N	-1	0	350.396	1.268	40	0		FDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1	ZINC000223733513	537534321	/nfs/dbraw/zinc/53/43/21/537534321.db2.gz	XMJUAAVZZYJKPV-UHFFFAOYSA-N	-1	0	359.454	1.912	40	0		FDABRM
C[C@@H]1CN(C(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)C[C@@]2(CCOC2)O1	ZINC000634919783	558542733	/nfs/dbraw/zinc/54/27/33/558542733.db2.gz	VBKPDBPZNUCXHK-ZNZDAUKMSA-N	-1	0	365.401	1.965	40	0		FDABRM
C[C@@H]1CN(C(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)C[C@]2(CCOC2)O1	ZINC000634919781	558542838	/nfs/dbraw/zinc/54/28/38/558542838.db2.gz	VBKPDBPZNUCXHK-VMDGZTHMSA-N	-1	0	365.401	1.965	40	0		FDABRM
C[C@@](CC(=O)N1CCN(CCO)CC1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634939941	558544460	/nfs/dbraw/zinc/54/44/60/558544460.db2.gz	SGFPUDQNXQZUFH-KRWDZBQOSA-N	-1	0	354.834	1.209	40	0		FDABRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc2c1OCCC2	ZINC000650231280	570877779	/nfs/dbraw/zinc/87/77/79/570877779.db2.gz	JZPBQCAZZSGURP-INIZCTEOSA-N	-1	0	355.412	1.266	40	0		FDABRM
C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccco1)C(=O)[O-]	ZINC000224547658	571212927	/nfs/dbraw/zinc/21/29/27/571212927.db2.gz	NOTCFISCFHKOHX-BWZZMRCASA-N	-1	0	356.378	1.610	40	0		FDABRM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C(N)=O)CC1	ZINC000298877799	676502663	/nfs/dbraw/zinc/50/26/63/676502663.db2.gz	YNWGUOWRXPZUDT-UHFFFAOYSA-N	-1	0	354.428	1.394	40	0		FDABRM
CS(=O)(=O)c1nnc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)[n-]1	ZINC000530262534	539923065	/nfs/dbraw/zinc/92/30/65/539923065.db2.gz	SPTCBRYZULFDIT-VIFPVBQESA-N	-1	0	358.326	1.247	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)n1	ZINC000329054067	223130820	/nfs/dbraw/zinc/13/08/20/223130820.db2.gz	VJKPPKFXWYHXLZ-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)NCc2ccccc2Br)[C@H]2CC[C@@H]1O2	ZINC000013152984	220059437	/nfs/dbraw/zinc/05/94/37/220059437.db2.gz	HXAFKQFUZSHYEW-MROQNXINSA-N	-1	0	354.200	1.944	40	0		FDABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000016769987	220193154	/nfs/dbraw/zinc/19/31/54/220193154.db2.gz	ZTYKHZJATULJFY-WDZFZDKYSA-N	-1	0	353.352	1.833	40	0		FDABRM
C=CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(C)=O)[n-]n3c(=O)c2C1	ZINC000019017258	220233453	/nfs/dbraw/zinc/23/34/53/220233453.db2.gz	PGMLQFLBENDDMY-MRXNPFEDSA-N	-1	0	369.425	1.579	40	0		FDABRM
O=C([O-])[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000547554306	542372768	/nfs/dbraw/zinc/37/27/68/542372768.db2.gz	KSFZABDZNJNSIR-IUODEOHRSA-N	-1	0	365.411	1.030	40	0		FDABRM
O=C([O-])[C@@H]1c2ccccc2C(=O)N(CCN2CCOCC2)C12CCCC2	ZINC000049467093	221023102	/nfs/dbraw/zinc/02/31/02/221023102.db2.gz	OMYXVVYKXCNHHI-KRWDZBQOSA-N	-1	0	358.438	1.956	40	0		FDABRM
COc1ccccc1Nc1cc(-c2ccccn2)nc(NCC(=O)[O-])n1	ZINC000329071404	534164041	/nfs/dbraw/zinc/16/40/41/534164041.db2.gz	ZPBMXDCQKWMLNL-UHFFFAOYSA-N	-1	0	351.366	1.631	40	0		FDABRM
CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000001579352	518232884	/nfs/dbraw/zinc/23/28/84/518232884.db2.gz	WRPLZGOCZPJKHO-AWEZNQCLSA-N	-1	0	361.398	1.805	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)c1C	ZINC000005090823	518330949	/nfs/dbraw/zinc/33/09/49/518330949.db2.gz	MQFAJDVHISGRMJ-OWSLCNJRSA-N	-1	0	358.438	1.830	40	0		FDABRM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1	ZINC000005582805	518349139	/nfs/dbraw/zinc/34/91/39/518349139.db2.gz	QHTIXCSYYBVOKV-UHFFFAOYSA-N	-1	0	363.420	1.683	40	0		FDABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1O	ZINC000020152482	518844949	/nfs/dbraw/zinc/84/49/49/518844949.db2.gz	IBYKZNYCUZEOSW-UHFFFAOYSA-N	-1	0	360.347	1.946	40	0		FDABRM
Cc1ccc(Cn2nnc3c2nc(C(=O)NC[C@@H]2CCCO2)[n-]c3=O)cc1	ZINC000035315544	519602792	/nfs/dbraw/zinc/60/27/92/519602792.db2.gz	UIYJKQWUPOTPFZ-ZDUSSCGKSA-N	-1	0	368.397	1.192	40	0		FDABRM
CC(C)[C@@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	ZINC000096024610	525123366	/nfs/dbraw/zinc/12/33/66/525123366.db2.gz	QNEBIXFSJOHXCK-OAHLLOKOSA-N	-1	0	360.414	1.531	40	0	in-vitro	FDABRM
CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCc1ccc(OC)cc1	ZINC000217703914	537455638	/nfs/dbraw/zinc/45/56/38/537455638.db2.gz	ASTWVICYOUJSMG-UHFFFAOYSA-N	-1	0	364.423	1.956	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCOC2CCCC2)s1	ZINC000223668939	537531121	/nfs/dbraw/zinc/53/11/21/537531121.db2.gz	PTBHFMNXDQVVAF-UHFFFAOYSA-N	-1	0	362.477	1.514	40	0		FDABRM
CCOCCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000224375543	537540402	/nfs/dbraw/zinc/54/04/02/537540402.db2.gz	NHSUTTFLZVYSGQ-UHFFFAOYSA-N	-1	0	350.466	1.228	40	0		FDABRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)on1	ZINC000585272998	551576403	/nfs/dbraw/zinc/57/64/03/551576403.db2.gz	QCSIYIFQMIQUFH-UHFFFAOYSA-N	-1	0	367.408	1.269	40	0		FDABRM
COC[C@@]1(CC(=O)N(C)C)CN(Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000585278560	551577754	/nfs/dbraw/zinc/57/77/54/551577754.db2.gz	UPKHZDIILUJALB-GOSISDBHSA-N	-1	0	350.415	1.081	40	0		FDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cncs3)cc2NC1=O	ZINC000585281406	551578860	/nfs/dbraw/zinc/57/88/60/551578860.db2.gz	IZXSXADGBPMEOY-JTQLQIEISA-N	-1	0	367.408	1.371	40	0		FDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC	ZINC000217470156	568186325	/nfs/dbraw/zinc/18/63/25/568186325.db2.gz	JAIADQYCZGRUQR-UHFFFAOYSA-N	-1	0	374.459	1.538	40	0		FDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccccc2I)C1=O	ZINC000408594527	570575403	/nfs/dbraw/zinc/57/54/03/570575403.db2.gz	TWTWMCJGDIWQGG-WEVVVXLNSA-N	-1	0	372.118	1.269	40	0		FDABRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cnc2ccsc2c1	ZINC000647927245	570760469	/nfs/dbraw/zinc/76/04/69/570760469.db2.gz	GGJMAOZVDMMFCO-AWEZNQCLSA-N	-1	0	356.425	1.551	40	0		FDABRM
COc1cncc(S(=O)(=O)N(C)c2cccc(CCC(=O)[O-])c2)c1	ZINC000282014992	571311578	/nfs/dbraw/zinc/31/15/78/571311578.db2.gz	XFUBBWYSAIDVTI-UHFFFAOYSA-N	-1	0	350.396	1.933	40	0		FDABRM
O=C([O-])[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000242723242	571358671	/nfs/dbraw/zinc/35/86/71/571358671.db2.gz	YIGHDHVYLNNDSZ-BFYDXBDKSA-N	-1	0	350.367	1.829	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCc2ccccc2)s1	ZINC000225114088	222828373	/nfs/dbraw/zinc/82/83/73/222828373.db2.gz	PIEPGPAYJLHXES-UHFFFAOYSA-N	-1	0	354.457	1.654	40	0		FDABRM
COC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001675921	219415191	/nfs/dbraw/zinc/41/51/91/219415191.db2.gz	ALDQYCRVWHGEFT-HUUCEWRRSA-N	-1	0	372.329	1.695	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2nccnc2-c2ccccc2C(=O)[O-])C1	ZINC000257330464	223068651	/nfs/dbraw/zinc/06/86/51/223068651.db2.gz	XOODXRFIWHIDDN-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccnc2)n1	ZINC000329071556	223132235	/nfs/dbraw/zinc/13/22/35/223132235.db2.gz	ZQUAFHDXOSFEOA-UHFFFAOYSA-N	-1	0	365.349	1.351	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccnc2)n1	ZINC000328978813	223126435	/nfs/dbraw/zinc/12/64/35/223126435.db2.gz	GBWIVMPBOVRARB-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)[O-]	ZINC000016899650	220196067	/nfs/dbraw/zinc/19/60/67/220196067.db2.gz	NCOUAWQFEJLBPV-JSGCOSHPSA-N	-1	0	364.423	1.258	40	0		FDABRM
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1OC	ZINC000019942650	220306934	/nfs/dbraw/zinc/30/69/34/220306934.db2.gz	DXHDWCRMCVSABA-CQSZACIVSA-N	-1	0	365.407	1.678	40	0		FDABRM
CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])s1	ZINC000035898002	220796195	/nfs/dbraw/zinc/79/61/95/220796195.db2.gz	VDHKLNURAYLARL-DMWPJOQESA-N	-1	0	352.412	1.787	40	0		FDABRM
C[C@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000071614559	221352524	/nfs/dbraw/zinc/35/25/24/221352524.db2.gz	CCMCYVCBDITGSI-YUTCNCBUSA-N	-1	0	366.414	1.073	40	0		FDABRM
O=C([O-])C1=C[C@H](c2ccccc2)c2c(=O)[nH]c(N3CCOCC3)nc2N1	ZINC000102277062	132234907	/nfs/dbraw/zinc/23/49/07/132234907.db2.gz	CPTXAUUMPVTVAB-GFCCVEGCSA-N	-1	0	354.366	1.132	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)[O-])CC2)c1C	ZINC000003906501	132385995	/nfs/dbraw/zinc/38/59/95/132385995.db2.gz	IGDJUVKHKVQMQL-OWSLCNJRSA-N	-1	0	356.422	1.606	40	0		FDABRM
O=C([O-])CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C(=O)c1ccccc1)C2	ZINC000096111625	222030044	/nfs/dbraw/zinc/03/00/44/222030044.db2.gz	SCQKGKFEHLRILA-HOCLYGCPSA-N	-1	0	366.373	1.780	40	0	biogenic,in-vitro	FDABRM
O=C([O-])[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)[C@@H]1CCOC1)CCC2	ZINC000096064276	222011476	/nfs/dbraw/zinc/01/14/76/222011476.db2.gz	BMBRIQFTYSQWES-VCBZYWHSSA-N	-1	0	359.426	1.248	40	0		FDABRM
CN1C[C@@H](c2cc(=O)n3[n-]cc(C(=O)Nc4ccccc4)c3n2)CC1=O	ZINC000100775462	222252782	/nfs/dbraw/zinc/25/27/82/222252782.db2.gz	MNFXQPRCIFGEOE-NSHDSACASA-N	-1	0	351.366	1.633	40	0		FDABRM
CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1	ZINC000005540074	518348338	/nfs/dbraw/zinc/34/83/38/518348338.db2.gz	HQEJTFRMUYHJJT-OUCADQQQSA-N	-1	0	366.439	1.242	40	0		FDABRM
CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000006680279	518381288	/nfs/dbraw/zinc/38/12/88/518381288.db2.gz	OYFKDULWJNJFSC-UHFFFAOYSA-N	-1	0	354.409	1.949	40	0		FDABRM
COCCCNC(=O)c1nc2c(nnn2Cc2cc(C)ccc2C)c(=O)[n-]1	ZINC000008772987	518488029	/nfs/dbraw/zinc/48/80/29/518488029.db2.gz	GOTJMTYZVIUOPI-UHFFFAOYSA-N	-1	0	370.413	1.358	40	0		FDABRM
Cc1nonc1CC(=O)N1CCCC[C@H]1c1cc2nc(C)cc(=O)n2[n-]1	ZINC000012161086	518593455	/nfs/dbraw/zinc/59/34/55/518593455.db2.gz	IMRXXQOBWWCFDT-AWEZNQCLSA-N	-1	0	356.386	1.731	40	0		FDABRM
Cc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)N3CCOCC3)cn2)cc1	ZINC000033747901	519588958	/nfs/dbraw/zinc/58/89/58/519588958.db2.gz	ZBUPKCWHRXTETN-UHFFFAOYSA-N	-1	0	362.411	1.058	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217532726	522625140	/nfs/dbraw/zinc/62/51/40/522625140.db2.gz	AXFZPHBFMADBJR-NSHDSACASA-N	-1	0	368.411	1.903	40	0		FDABRM
CC(C)[C@H](NC(=O)c1nn(CCCCC(=O)[O-])c2ccccc12)C(N)=O	ZINC000096024608	525121792	/nfs/dbraw/zinc/12/17/92/525121792.db2.gz	QNEBIXFSJOHXCK-HNNXBMFYSA-N	-1	0	360.414	1.531	40	0	in-vitro	FDABRM
CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2cc(=O)n3[n-]ccc3n2)CC1	ZINC000257336096	526591305	/nfs/dbraw/zinc/59/13/05/526591305.db2.gz	YNDOONYMPCKMAW-HNNXBMFYSA-N	-1	0	357.414	1.152	40	0		FDABRM
COCCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)[O-]	ZINC000217665056	537455899	/nfs/dbraw/zinc/45/58/99/537455899.db2.gz	OGLPRKMVTYEENC-NSHDSACASA-N	-1	0	360.432	1.146	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)ccc1NCCCO	ZINC000217579440	537456192	/nfs/dbraw/zinc/45/61/92/537456192.db2.gz	MHBXBXJPJCBOLN-UHFFFAOYSA-N	-1	0	356.444	1.790	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccccc2)s1	ZINC000223363098	537524332	/nfs/dbraw/zinc/52/43/32/537524332.db2.gz	FLLHBOLHIPJNCD-UHFFFAOYSA-N	-1	0	354.457	1.798	40	0		FDABRM
COc1ccccc1CC(=O)N1CCC(NC(=O)C2(C(=O)[O-])CCC2)CC1	ZINC000567969292	548341162	/nfs/dbraw/zinc/34/11/62/548341162.db2.gz	VUVPRQAHTYRETA-UHFFFAOYSA-N	-1	0	374.437	1.600	40	0		FDABRM
CC(C)CCOc1ccc(=NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)[n-]n1	ZINC000599800941	553151926	/nfs/dbraw/zinc/15/19/26/553151926.db2.gz	MSLLPRVGUVCAEN-JXQWACKNSA-N	-1	0	366.487	2.419	40	0		FDABRM
CNC(=O)[C@@H]1CCCN1C(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634872772	558538500	/nfs/dbraw/zinc/53/85/00/558538500.db2.gz	VOLYCUGFNKAJTI-SUMWQHHRSA-N	-1	0	352.818	1.809	40	0		FDABRM
CO[C@@H]1CN(C(=O)C[C@](C)(C(=O)[O-])c2ccc(Cl)cc2)C[C@@H]1OC	ZINC000634937044	558544177	/nfs/dbraw/zinc/54/41/77/558544177.db2.gz	ZBYDFMOLCSIOBX-VBQJREDUSA-N	-1	0	355.818	1.945	40	0		FDABRM
CCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1Br)C(=O)[O-]	ZINC000262493586	571344448	/nfs/dbraw/zinc/34/44/48/571344448.db2.gz	VQABCNFHXIUFER-SNVBAGLBSA-N	-1	0	366.233	1.989	40	0		FDABRM
COC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)[O-]	ZINC000217668783	222673549	/nfs/dbraw/zinc/67/35/49/222673549.db2.gz	ROAHYKJCCRBPMO-QWRGUYRKSA-N	-1	0	360.432	1.145	40	0		FDABRM
C[C@](CNC(=O)c1ccc(N2CCNC2=O)cc1)(C(=O)[O-])c1ccccc1	ZINC000263237923	178881483	/nfs/dbraw/zinc/88/14/83/178881483.db2.gz	BVPBUAIBGCSJFQ-HXUWFJFHSA-N	-1	0	367.405	1.989	40	0		FDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)CC1	ZINC000273795810	180982194	/nfs/dbraw/zinc/98/21/94/180982194.db2.gz	WCFVHHSROOBXOT-UHFFFAOYSA-N	-1	0	360.819	1.233	40	0		FDABRM
Cc1cc(-c2ccccc2C(=O)[O-])nc([C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257266687	223043602	/nfs/dbraw/zinc/04/36/02/223043602.db2.gz	MEBDUVOBBZHSGU-LBPRGKRZSA-N	-1	0	361.423	1.899	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257270992	223046290	/nfs/dbraw/zinc/04/62/90/223046290.db2.gz	MWKRSZGOFWTDDB-GFCCVEGCSA-N	-1	0	356.382	1.274	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccn2)n1	ZINC000328982462	223128040	/nfs/dbraw/zinc/12/80/40/223128040.db2.gz	HALRKILJSJZYJJ-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
O=C([O-])CNc1nc(Nc2cccc(F)c2F)cc(-c2ccccn2)n1	ZINC000329025617	223129165	/nfs/dbraw/zinc/12/91/65/223129165.db2.gz	PGSSZBITVVZEIA-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
Cc1cc2nc(CNC(=O)[C@H]3CC(=O)Nc4ccccc43)cc(=O)n2[n-]1	ZINC000019130081	220237120	/nfs/dbraw/zinc/23/71/20/220237120.db2.gz	QMHBUJLQYVEZNL-ZDUSSCGKSA-N	-1	0	351.366	1.486	40	0		FDABRM
O=C([O-])CCN1C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2C1=O	ZINC000020510130	220331797	/nfs/dbraw/zinc/33/17/97/220331797.db2.gz	BJSCTFCZWYYPMU-UHFFFAOYSA-N	-1	0	352.346	1.939	40	0		FDABRM
CN(C)c1ccc(-c2nnc([C@H]3CCN(C(=O)CCC(=O)[O-])C3)o2)cc1	ZINC000049170892	221020181	/nfs/dbraw/zinc/02/01/81/221020181.db2.gz	FMFQYCOHSZXREA-ZDUSSCGKSA-N	-1	0	358.398	1.983	40	0	biogenic,in-vitro	FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@H]2CC[C@@H]1O2	ZINC000002772851	132253823	/nfs/dbraw/zinc/25/38/23/132253823.db2.gz	TXOXZPIGFGMWIT-UGUYLWEFSA-N	-1	0	364.829	1.867	40	0		FDABRM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)[O-]	ZINC000101273600	222266029	/nfs/dbraw/zinc/26/60/29/222266029.db2.gz	CSFKFVCTXAETKD-ZIAGYGMSSA-N	-1	0	364.423	1.258	40	0		FDABRM
Cc1nc2cc(C3CCN(C(=O)Cn4cncn4)CC3)[n-]n2c(=O)c1C	ZINC000100137383	222235586	/nfs/dbraw/zinc/23/55/86/222235586.db2.gz	UETBBESGSJCVAJ-UHFFFAOYSA-N	-1	0	355.402	1.049	40	0		FDABRM
C[C@H]1C(=O)[C@H](C)[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000105368345	222368224	/nfs/dbraw/zinc/36/82/24/222368224.db2.gz	LXIQMFKOABADKQ-FVLCRDTQSA-N	-1	0	357.362	1.411	40	0		FDABRM
COc1ccc(CCn2c(=O)c(CC(=O)[O-])c[nH]c2=S)cc1OC	ZINC000020156326	263379272	/nfs/dbraw/zinc/37/92/72/263379272.db2.gz	SZGZIGUATYHJLO-UHFFFAOYSA-N	-1	0	350.396	1.793	40	0		FDABRM
NS(=O)(=O)c1cc2c(cc1Cl)NC(CCC(=O)[O-])=NS2(=O)=O	ZINC000003954523	518282776	/nfs/dbraw/zinc/28/27/76/518282776.db2.gz	MMZVLUQFLGIDQC-UHFFFAOYSA-N	-1	0	367.792	1.196	40	0	in-vitro	FDABRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccc(O)cc3OC(=O)[C@H]21	ZINC000004597813	518305351	/nfs/dbraw/zinc/30/53/51/518305351.db2.gz	XLLALKBLIJIEGD-XKSSXDPKSA-N	-1	0	351.361	1.780	40	0		FDABRM
COc1ncnc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1OC	ZINC000005138209	518332851	/nfs/dbraw/zinc/33/28/51/518332851.db2.gz	PBSUUNCQTRDFCM-UHFFFAOYSA-N	-1	0	352.372	1.253	40	0	in-vitro	FDABRM
CCOc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824009	518355229	/nfs/dbraw/zinc/35/52/29/518355229.db2.gz	KNLPRLCCNPAGBS-YHAMSUFESA-N	-1	0	372.402	1.721	40	0		FDABRM
CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000006023981	518360931	/nfs/dbraw/zinc/36/09/31/518360931.db2.gz	RXFSAARTXLCYCI-UHFFFAOYSA-N	-1	0	362.411	1.812	40	0		FDABRM
[NH3+][C@@H](CC(=O)[O-])c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1	ZINC000008701477	518483274	/nfs/dbraw/zinc/48/32/74/518483274.db2.gz	NXEFIRFPRVLDOA-NSHDSACASA-N	-1	0	356.791	1.405	40	0		FDABRM
CN(C)c1ncc(CN2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cn1	ZINC000012325854	518603805	/nfs/dbraw/zinc/60/38/05/518603805.db2.gz	AJYSUKYLUJDPRG-UHFFFAOYSA-N	-1	0	365.441	1.727	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@H]2CC[C@@H]1O2	ZINC000017074992	518775475	/nfs/dbraw/zinc/77/54/75/518775475.db2.gz	TXOXZPIGFGMWIT-FXUDXRNXSA-N	-1	0	364.829	1.867	40	0		FDABRM
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CCS(=O)(=O)[O-])C2)c(NC2CC2)n1	ZINC000207635588	537432459	/nfs/dbraw/zinc/43/24/59/537432459.db2.gz	PWDJVZCMMSQJKM-MWLCHTKSSA-N	-1	0	364.431	1.378	40	0		FDABRM
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](CCS(=O)(=O)[O-])C2)c(NC2CC2)n1	ZINC000207635504	537432498	/nfs/dbraw/zinc/43/24/98/537432498.db2.gz	PWDJVZCMMSQJKM-GXSJLCMTSA-N	-1	0	364.431	1.378	40	0		FDABRM
CCOCCCNS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[O-])c1	ZINC000217642650	537454805	/nfs/dbraw/zinc/45/48/05/537454805.db2.gz	QXIUJWRVMTUSFI-UHFFFAOYSA-N	-1	0	356.444	1.690	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)[C@H]2C=C[C@@H]1O2	ZINC000225784725	537560228	/nfs/dbraw/zinc/56/02/28/537560228.db2.gz	KWQHSPZZIPROAQ-ZOBORPQBSA-N	-1	0	358.329	1.058	40	0		FDABRM
O=C(NC1CCCC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21	ZINC000575402595	550460147	/nfs/dbraw/zinc/46/01/47/550460147.db2.gz	CHUXXKRUEJGZIF-KRWDZBQOSA-N	-1	0	354.410	1.845	40	0		FDABRM
O=C(CC1CC1)NC[C@H]1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1	ZINC000575403217	550460166	/nfs/dbraw/zinc/46/01/66/550460166.db2.gz	GPPAKTCYBXQTSY-OAHLLOKOSA-N	-1	0	358.438	1.930	40	0		FDABRM
O=C([O-])Cc1cnc(COc2c(F)c(F)c(F)c(F)c2F)[nH]c1=O	ZINC000217388249	568181157	/nfs/dbraw/zinc/18/11/57/568181157.db2.gz	OIFBVRGGJQCPQX-UHFFFAOYSA-N	-1	0	350.199	1.672	40	0		FDABRM
CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1cc(C(=O)[O-])ccc1=O	ZINC000257324097	570627299	/nfs/dbraw/zinc/62/72/99/570627299.db2.gz	WNDYTCAOHPJEHK-MRXNPFEDSA-N	-1	0	353.378	1.948	40	0		FDABRM
CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c2ccccc12	ZINC000262390282	571342815	/nfs/dbraw/zinc/34/28/15/571342815.db2.gz	IIWXLOSQKXBXOJ-JTQLQIEISA-N	-1	0	350.396	1.892	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2sccc2C(=O)NC2CC2)[C@H]2CC[C@@H]1O2	ZINC000017072689	204647070	/nfs/dbraw/zinc/64/70/70/204647070.db2.gz	KZTOSAGJSYOPQE-RHYQMDGZSA-N	-1	0	350.396	1.457	40	0		FDABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)n1ccc2c(cnc3ncnn32)c1=O	ZINC000040372758	205066422	/nfs/dbraw/zinc/06/64/22/205066422.db2.gz	FULPUHBRZJYOKU-MRXNPFEDSA-N	-1	0	374.360	1.789	40	0		FDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCOC	ZINC000217466768	206362419	/nfs/dbraw/zinc/36/24/19/206362419.db2.gz	AHRWANBKWDNLCQ-UHFFFAOYSA-N	-1	0	360.432	1.148	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)COC	ZINC000217535109	206364235	/nfs/dbraw/zinc/36/42/35/206364235.db2.gz	BJNIDTBQLITHMW-WDEREUQCSA-N	-1	0	360.432	1.145	40	0		FDABRM
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)[O-]	ZINC000218206536	206369027	/nfs/dbraw/zinc/36/90/27/206369027.db2.gz	KNHZHRMPRMFWBY-NQBHXWOUSA-N	-1	0	363.229	1.413	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2)s1	ZINC000224830561	206464866	/nfs/dbraw/zinc/46/48/66/206464866.db2.gz	WQLJPHYSXRHVGR-UHFFFAOYSA-N	-1	0	370.412	1.474	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cncc(-c3cccc(C(=O)[O-])c3)n2)C1	ZINC000257235326	206604969	/nfs/dbraw/zinc/60/49/69/206604969.db2.gz	GXIQLPTUNNQHJJ-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
O=C([O-])c1cc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1N1CCOCC1	ZINC000004954472	132255374	/nfs/dbraw/zinc/25/53/74/132255374.db2.gz	ROKYNMWYXSKGTI-ZIAGYGMSSA-N	-1	0	358.394	1.901	40	0		FDABRM
CCCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)CC1	ZINC000072228529	132302899	/nfs/dbraw/zinc/30/28/99/132302899.db2.gz	GIDZCSOPMHOSRF-AWEZNQCLSA-N	-1	0	359.426	1.573	40	0		FDABRM
CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C(F)(F)C2)c1C	ZINC000289677868	258837680	/nfs/dbraw/zinc/83/76/80/258837680.db2.gz	LEEJAKRUQRWIKQ-SNVBAGLBSA-N	-1	0	351.375	1.250	40	0		FDABRM
Cc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(Cc3ccco3)C1=O)OCO2	ZINC000008301668	518468272	/nfs/dbraw/zinc/46/82/72/518468272.db2.gz	HIBOJRFPSQNSAP-AWNIVKPZSA-N	-1	0	354.318	1.979	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@@H]3CCCCN3C(=O)c3ccc(=O)n(C)c3)cc2n1	ZINC000012161196	518593528	/nfs/dbraw/zinc/59/35/28/518593528.db2.gz	HFCAQPGJKDSZAE-HNNXBMFYSA-N	-1	0	367.409	1.809	40	0		FDABRM
CCc1c(C)[n-]n2c1nc([C@@H]1CCN(C(=O)c3ccn(C)n3)C1)cc2=O	ZINC000012276431	518599842	/nfs/dbraw/zinc/59/98/42/518599842.db2.gz	SKEVGKLUIOZPGX-GFCCVEGCSA-N	-1	0	354.414	1.669	40	0		FDABRM
Cc1cc(=O)n2nc(CC(=O)NCc3cccc(OC(C)C)c3)[n-]c2n1	ZINC000019117387	518801598	/nfs/dbraw/zinc/80/15/98/518801598.db2.gz	FLYXNKUOQHANGQ-UHFFFAOYSA-N	-1	0	355.398	1.784	40	0		FDABRM
Cc1cc2nc(CNC(=O)C[C@H]3NC(=O)c4ccccc43)cc(=O)n2[n-]1	ZINC000019130088	518802337	/nfs/dbraw/zinc/80/23/37/518802337.db2.gz	DGJXKXDBDQXXGQ-CQSZACIVSA-N	-1	0	351.366	1.234	40	0		FDABRM
O=C(NC[C@H]1CCCO1)c1cnc([N-]S(=O)(=O)c2ccccc2)nc1	ZINC000033739637	519589294	/nfs/dbraw/zinc/58/92/94/519589294.db2.gz	HKHPGBPFRMVRDW-CYBMUJFWSA-N	-1	0	362.411	1.186	40	0		FDABRM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccnc([N-]c2nccs2)n1	ZINC000072377836	522228920	/nfs/dbraw/zinc/22/89/20/522228920.db2.gz	SSQNINOMTYSOTB-LLVKDONJSA-N	-1	0	354.461	1.620	40	0		FDABRM
O=C([O-])c1nnn(-c2ccc3c(c2)OCO3)c1CSc1ncccn1	ZINC000085398252	524353701	/nfs/dbraw/zinc/35/37/01/524353701.db2.gz	NBJZQWUOFVEISB-UHFFFAOYSA-N	-1	0	357.351	1.777	40	0		FDABRM
Cc1nnsc1C(=O)N1CCC[C@H](c2cc3nc(C)cc(=O)n3[n-]2)C1	ZINC000100137875	525211788	/nfs/dbraw/zinc/21/17/88/525211788.db2.gz	KDXCWRYMIQRABV-NSHDSACASA-N	-1	0	358.427	1.923	40	0		FDABRM
CCc1c(C)[n-]n2c1nc([C@H]1CCN(C(=O)c3cnn(C)c3)C1)cc2=O	ZINC000100727967	525216297	/nfs/dbraw/zinc/21/62/97/525216297.db2.gz	HVFXGNDPXKHNTR-LBPRGKRZSA-N	-1	0	354.414	1.669	40	0		FDABRM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000101273667	525218365	/nfs/dbraw/zinc/21/83/65/525218365.db2.gz	ISNDLHIPIULAAM-RYUDHWBXSA-N	-1	0	370.814	1.294	40	0		FDABRM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O)C(=O)[O-]	ZINC000101273602	525218744	/nfs/dbraw/zinc/21/87/44/525218744.db2.gz	JZIWFGRTZHUIMN-CHWSQXEVSA-N	-1	0	364.423	1.258	40	0		FDABRM
O=C([O-])CCNC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1	ZINC000103466485	525356651	/nfs/dbraw/zinc/35/66/51/525356651.db2.gz	OCGXWNOFCVTCFH-BETUJISGSA-N	-1	0	360.414	1.371	40	0		FDABRM
O=C([O-])COCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21	ZINC000247389895	537115251	/nfs/dbraw/zinc/11/52/51/537115251.db2.gz	LBTDMFSDZAXFGR-AWEZNQCLSA-N	-1	0	357.362	1.851	40	0		FDABRM
CSc1nnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1	ZINC000224680818	537541546	/nfs/dbraw/zinc/54/15/46/537541546.db2.gz	GPJDSHMUAZENJY-UHFFFAOYSA-N	-1	0	365.483	1.464	40	0		FDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1ccc(CC(N)=O)cc1	ZINC000225876310	537563299	/nfs/dbraw/zinc/56/32/99/537563299.db2.gz	MTKCHRHLMDNKRN-UHFFFAOYSA-N	-1	0	368.440	1.103	40	0		FDABRM
CNc1nc(NNc2ccc(S(=O)(=O)[O-])cc2)cc(C(F)(F)F)n1	ZINC000329027032	537633887	/nfs/dbraw/zinc/63/38/87/537633887.db2.gz	PQMHWYUHNWIGCK-UHFFFAOYSA-N	-1	0	363.321	2.223	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)n1	ZINC000328997287	571106646	/nfs/dbraw/zinc/10/66/46/571106646.db2.gz	JNTVIPBFJVHDSP-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
Cc1ncsc1[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)[O-]	ZINC000527301972	571148174	/nfs/dbraw/zinc/14/81/74/571148174.db2.gz	OOHRPVKZEVIMIB-CYBMUJFWSA-N	-1	0	368.436	1.881	40	0		FDABRM
Cc1cc(C)n(CC(=O)N2CCC(c3cc(=O)n4[n-]ccc4n3)CC2)n1	ZINC000257263412	571155647	/nfs/dbraw/zinc/15/56/47/571155647.db2.gz	LPUTUYHWLYTOAY-UHFFFAOYSA-N	-1	0	354.414	1.654	40	0		FDABRM
COCc1ccc(C(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cc1	ZINC000257273964	571156936	/nfs/dbraw/zinc/15/69/36/571156936.db2.gz	NIYKXSNJTOYHCN-KRWDZBQOSA-N	-1	0	357.410	1.802	40	0		FDABRM
CN(C(=O)c1cc[nH]n1)[C@@H]1CCC[C@H](Oc2cccc(C(=O)[O-])c2)[C@H]1O	ZINC000257323900	571162061	/nfs/dbraw/zinc/16/20/61/571162061.db2.gz	WMHZCDFTFKZLOS-PMPSAXMXSA-N	-1	0	359.382	1.541	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cc(F)cc(F)c2)cc(C(F)(F)F)n1	ZINC000328975928	203843535	/nfs/dbraw/zinc/84/35/35/203843535.db2.gz	FMIJREPBJKDOBP-UHFFFAOYSA-N	-1	0	362.258	1.726	40	0		FDABRM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000010151722	204000950	/nfs/dbraw/zinc/00/09/50/204000950.db2.gz	WMGBNUHUNCSNIF-CVEARBPZSA-N	-1	0	372.421	1.727	40	0		FDABRM
Cc1nonc1CC(=O)N1CCC[C@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1	ZINC000012154026	204436715	/nfs/dbraw/zinc/43/67/15/204436715.db2.gz	DEUPTDXGJGCKBQ-AWEZNQCLSA-N	-1	0	356.386	1.649	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)[C@H]2C=C[C@@H]1O2	ZINC000035910688	204999078	/nfs/dbraw/zinc/99/90/78/204999078.db2.gz	KWQHSPZZIPROAQ-RFGFWPKPSA-N	-1	0	358.329	1.058	40	0		FDABRM
Cc1nonc1CC(=O)N1CCC(c2cc3nc(C)cc(=O)n3[n-]2)CC1	ZINC000100137475	205939465	/nfs/dbraw/zinc/93/94/65/205939465.db2.gz	MJNFXHDJXTZSMP-UHFFFAOYSA-N	-1	0	356.386	1.383	40	0		FDABRM
CCS(=O)(=O)Nc1ccc2c(c1)c(C(=O)[O-])c(C)n2S(=O)(=O)CC	ZINC000004945012	206185562	/nfs/dbraw/zinc/18/55/62/206185562.db2.gz	DHMHPFISRUIUAS-UHFFFAOYSA-N	-1	0	374.440	1.607	40	0		FDABRM
O=C([O-])COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1	ZINC000008732561	206248120	/nfs/dbraw/zinc/24/81/20/206248120.db2.gz	ZRVLTQKENWGDHX-HNNXBMFYSA-N	-1	0	368.389	1.819	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@H]2CC[C@@H]1O2	ZINC000017075891	206321090	/nfs/dbraw/zinc/32/10/90/206321090.db2.gz	YGTSBWSWLUWAKN-SGESZLJQSA-N	-1	0	370.449	1.722	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCO)ccc1NCc1ccccc1	ZINC000217590067	206364109	/nfs/dbraw/zinc/36/41/09/206364109.db2.gz	YYGBUWHLPLEYND-UHFFFAOYSA-N	-1	0	350.396	1.268	40	0		FDABRM
CCOCCCNS(=O)(=O)c1ccc(NCCCOC)c(C(=O)[O-])c1	ZINC000217641597	206364451	/nfs/dbraw/zinc/36/44/51/206364451.db2.gz	CVOWAQGHOAFNIU-UHFFFAOYSA-N	-1	0	374.459	1.538	40	0		FDABRM
COCC(=O)N1CCC[C@H]1c1nc(C)cc(-c2cncc(C(=O)[O-])c2)n1	ZINC000257287086	206615671	/nfs/dbraw/zinc/61/56/71/206615671.db2.gz	POLRKMPKODXDRO-HNNXBMFYSA-N	-1	0	356.382	1.855	40	0		FDABRM
Cc1cc(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)[O-])sc1C	ZINC000570622830	549348905	/nfs/dbraw/zinc/34/89/05/549348905.db2.gz	MWMSMTJADWCSSR-LBPRGKRZSA-N	-1	0	354.453	1.982	40	0		FDABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1O	ZINC000408591847	263476936	/nfs/dbraw/zinc/47/69/36/263476936.db2.gz	KUYQSHCVMSIVKY-KRXBUXKQSA-N	-1	0	371.143	1.141	40	0		FDABRM
COc1ccc(C(=O)NC(=S)[N-]n2c(C)nnc2SC)cc1OC	ZINC000006320451	518368862	/nfs/dbraw/zinc/36/88/62/518368862.db2.gz	SFUWBHAHYDLKOY-UHFFFAOYSA-N	-1	0	367.456	1.584	40	0		FDABRM
COc1ccc(/C=C/C(=O)NC(=S)[N-]n2c(C)nnc2SC)cc1	ZINC000006320444	518369895	/nfs/dbraw/zinc/36/98/95/518369895.db2.gz	MUBGRBHIAWFKGV-RMKNXTFCSA-N	-1	0	363.468	1.975	40	0		FDABRM
CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cn3ccnc3)[n-]n2c1=O	ZINC000012221273	518597029	/nfs/dbraw/zinc/59/70/29/518597029.db2.gz	CQGOOCSXAZPOBN-HNNXBMFYSA-N	-1	0	354.414	1.866	40	0		FDABRM
O=CN1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000013676592	518665157	/nfs/dbraw/zinc/66/51/57/518665157.db2.gz	YVZPXGMLQKMFPV-UHFFFAOYSA-N	-1	0	373.434	1.402	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@H]2CC[C@@H]1O2	ZINC000017074993	518774317	/nfs/dbraw/zinc/77/43/17/518774317.db2.gz	JDRNIXRYTRZGKC-FXUDXRNXSA-N	-1	0	364.829	1.867	40	0		FDABRM
Cc1cc2nc(CNC(=O)C[C@@H]3NC(=O)c4ccccc43)cc(=O)n2[n-]1	ZINC000019130084	518801724	/nfs/dbraw/zinc/80/17/24/518801724.db2.gz	DGJXKXDBDQXXGQ-AWEZNQCLSA-N	-1	0	351.366	1.234	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1	ZINC000035910686	519613925	/nfs/dbraw/zinc/61/39/25/519613925.db2.gz	KWQHSPZZIPROAQ-RQJABVFESA-N	-1	0	358.329	1.058	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(OC)cc2)s1	ZINC000223121835	537519796	/nfs/dbraw/zinc/51/97/96/537519796.db2.gz	LIRJNIRMNOITFV-UHFFFAOYSA-N	-1	0	356.429	1.374	40	0		FDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3ccncc3)cc2NC1=O	ZINC000585281387	551578505	/nfs/dbraw/zinc/57/85/05/551578505.db2.gz	IWLIKTVWCQJTKP-ZDUSSCGKSA-N	-1	0	361.379	1.310	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccncc2)n1	ZINC000328955329	571104659	/nfs/dbraw/zinc/10/46/59/571104659.db2.gz	ABTAUZAINNZIQZ-UHFFFAOYSA-N	-1	0	371.347	1.769	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)cc2F)cc(-c2cccnc2)n1	ZINC000328986462	571106269	/nfs/dbraw/zinc/10/62/69/571106269.db2.gz	HYWSKHYZNAXOJY-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)COc1ccc2c(c1)C(=O)CC2	ZINC000256028228	571147961	/nfs/dbraw/zinc/14/79/61/571147961.db2.gz	ZIAJIBINIWULGC-KRWDZBQOSA-N	-1	0	369.373	1.712	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)C1	ZINC000257211970	571150491	/nfs/dbraw/zinc/15/04/91/571150491.db2.gz	CBIXSSYJNMCNJY-LLVKDONJSA-N	-1	0	362.411	1.061	40	0		FDABRM
Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1	ZINC000257280126	571157469	/nfs/dbraw/zinc/15/74/69/571157469.db2.gz	OJNRYOFHTWHOPO-IIAWOOMASA-N	-1	0	351.428	1.059	40	0		FDABRM
COCC(=O)N1CC[C@H](c2cc(-c3cncc(C(=O)[O-])c3)nc(C)n2)C1	ZINC000257333718	571163009	/nfs/dbraw/zinc/16/30/09/571163009.db2.gz	YCTMQIJOIOCVHC-LBPRGKRZSA-N	-1	0	356.382	1.508	40	0		FDABRM
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccco1)C(=O)[O-]	ZINC000256068675	788807765	/nfs/dbraw/zinc/80/77/65/788807765.db2.gz	NOTCFISCFHKOHX-QMOWULKGSA-N	-1	0	356.378	1.610	40	0		FDABRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)ccc2cccnc21	ZINC000643971290	975323941	/nfs/dbraw/zinc/32/39/41/975323941.db2.gz	HZXVEWHGDDWKEC-KRWDZBQOSA-N	-1	0	364.423	1.798	40	0		FDABRM
Nc1ccc(C(=O)Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)cc1	ZINC000329010094	203845217	/nfs/dbraw/zinc/84/52/17/203845217.db2.gz	LYXKFXRXCGXYQJ-UHFFFAOYSA-N	-1	0	363.377	1.318	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000005369580	204206015	/nfs/dbraw/zinc/20/60/15/204206015.db2.gz	JFUOZIQMCIFVJZ-DMKPRTFPSA-N	-1	0	368.433	1.498	40	0		FDABRM
O=C([O-])c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCCO)c1	ZINC000217458457	206362043	/nfs/dbraw/zinc/36/20/43/206362043.db2.gz	PFPUETPMIVYJSU-UHFFFAOYSA-N	-1	0	364.423	1.310	40	0		FDABRM
CCOC(=O)Nc1ccccc1[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1	ZINC000217360457	206362443	/nfs/dbraw/zinc/36/24/43/206362443.db2.gz	OQDXIRSHIGFUBO-JTQLQIEISA-N	-1	0	362.429	1.184	40	0		FDABRM
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)COC	ZINC000217535025	206363931	/nfs/dbraw/zinc/36/39/31/206363931.db2.gz	BJNIDTBQLITHMW-GHMZBOCLSA-N	-1	0	360.432	1.145	40	0		FDABRM
CN(CC1(O)CCN(c2nccn3cccc23)CC1)C(=O)CCCC(=O)[O-]	ZINC000257217059	132295221	/nfs/dbraw/zinc/29/52/21/132295221.db2.gz	CXFWYPODHINBSB-UHFFFAOYSA-N	-1	0	374.441	1.379	40	0		FDABRM
N#C/C(=C/c1cccn1-c1ccc(C(=O)[O-])cc1)C(=O)N1CCOCC1	ZINC000006971147	518396991	/nfs/dbraw/zinc/39/69/91/518396991.db2.gz	QYUAAFPARHVAJM-QINSGFPZSA-N	-1	0	351.362	1.941	40	0		FDABRM
COc1ccc(N2C(=O)[C@H]3C(C(=O)c4ccccc4)=NOC3=C2[O-])cc1	ZINC000100354935	525213339	/nfs/dbraw/zinc/21/33/39/525213339.db2.gz	OPOZTSJIWVLSJW-YOEHRIQHSA-N	-1	0	350.330	1.822	40	0		FDABRM
CCc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000101273617	525218101	/nfs/dbraw/zinc/21/81/01/525218101.db2.gz	NWCFXBHTDSKQPG-ZIAGYGMSSA-N	-1	0	364.423	1.203	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1	ZINC000101783584	525254781	/nfs/dbraw/zinc/25/47/81/525254781.db2.gz	ZYNHHNSCGDFQLP-MVJTYMMSSA-N	-1	0	358.413	1.993	40	0		FDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000225466547	537550270	/nfs/dbraw/zinc/55/02/70/537550270.db2.gz	GVBVERFQNZJRSP-UHFFFAOYSA-N	-1	0	359.454	1.745	40	0		FDABRM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(N)=O)ccc21	ZINC000225692169	537556445	/nfs/dbraw/zinc/55/64/45/537556445.db2.gz	BYEJLMLUMOQXMW-UHFFFAOYSA-N	-1	0	373.434	1.885	40	0		FDABRM
O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585270448	551576553	/nfs/dbraw/zinc/57/65/53/551576553.db2.gz	CYYJPNZPSKCPJD-UHFFFAOYSA-N	-1	0	366.420	1.517	40	0		FDABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1O	ZINC000408916919	570698450	/nfs/dbraw/zinc/69/84/50/570698450.db2.gz	ITYUZYVYJFAQHN-XBXARRHUSA-N	-1	0	374.134	1.576	40	0		FDABRM
O=C([O-])c1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)ccn1	ZINC000650765308	570879380	/nfs/dbraw/zinc/87/93/80/570879380.db2.gz	IVXNHHGXRDIOAL-UHFFFAOYSA-N	-1	0	358.373	1.680	40	0		FDABRM
O=C([O-])c1cccc(O[C@@H]2CN(C(=O)CCCn3ccnc3)C[C@H]2O)c1	ZINC000257252381	571154555	/nfs/dbraw/zinc/15/45/55/571154555.db2.gz	JUPVEWSXURZLLV-HZPDHXFCSA-N	-1	0	359.382	1.012	40	0		FDABRM
Cc1nc([C@@H]2CN(Cc3ccccc3OCC(=O)[O-])CCO2)cc(=O)[nH]1	ZINC000257277967	571321813	/nfs/dbraw/zinc/32/18/13/571321813.db2.gz	OAEAVRJHAWMPIU-INIZCTEOSA-N	-1	0	359.382	1.528	40	0		FDABRM
CC(C)n1cnc(S(=O)(=O)N2CCc3ccc(C(=O)[O-])cc3CC2)c1	ZINC000530435547	539973191	/nfs/dbraw/zinc/97/31/91/539973191.db2.gz	QDRBKIBNKRMOSY-UHFFFAOYSA-N	-1	0	363.439	1.952	40	0		FDABRM
CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000012544849	220006009	/nfs/dbraw/zinc/00/60/09/220006009.db2.gz	LMOPBQJWMCDDHA-UHFFFAOYSA-N	-1	0	370.408	1.557	40	0		FDABRM
O=C([O-])CNc1nc(Nc2cccc(F)c2F)cc(-c2cccnc2)n1	ZINC000328965278	203844740	/nfs/dbraw/zinc/84/47/40/203844740.db2.gz	CCNZTWQOJRUFJE-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccc(O)cc3OC(=O)[C@H]12	ZINC000004597812	204149936	/nfs/dbraw/zinc/14/99/36/204149936.db2.gz	XLLALKBLIJIEGD-WEDXCCLWSA-N	-1	0	351.361	1.780	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCc1ccccc1Br	ZINC000004749917	204161720	/nfs/dbraw/zinc/16/17/20/204161720.db2.gz	ZFLPDMLARUAPFU-XQHKEYJVSA-N	-1	0	352.184	1.720	40	0		FDABRM
CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000005431442	204207889	/nfs/dbraw/zinc/20/78/89/204207889.db2.gz	IAMASPDALMCULQ-MRXNPFEDSA-N	-1	0	352.346	1.816	40	0		FDABRM
COCc1nn2c(nnc3c2ccn(CC(=O)[O-])c3=O)c1-c1ccccc1	ZINC000040391209	205067481	/nfs/dbraw/zinc/06/74/81/205067481.db2.gz	ZKGSASWDYLFQOG-UHFFFAOYSA-N	-1	0	365.349	1.337	40	0		FDABRM
CC(C)Nc1nc(CN(C)S(=O)(=O)c2ccccc2)ncc1C(=O)[O-]	ZINC000049469571	205172864	/nfs/dbraw/zinc/17/28/64/205172864.db2.gz	VFANWTUKBGFGML-UHFFFAOYSA-N	-1	0	364.427	1.816	40	0		FDABRM
CC[C@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@@H](C)O	ZINC000049180795	206085647	/nfs/dbraw/zinc/08/56/47/206085647.db2.gz	VDRDRMCAECTSGB-PIGZYNQJSA-N	-1	0	353.371	1.055	40	0	biogenic,in-vitro	FDABRM
O=C([O-])[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(O)ccc3OC(=O)[C@@H]12	ZINC000004041889	206165902	/nfs/dbraw/zinc/16/59/02/206165902.db2.gz	NWVNEIDOXFMQFU-MRTMQBJTSA-N	-1	0	351.361	1.368	40	0		FDABRM
O=C([O-])COc1ccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)cc1	ZINC000008732560	206247101	/nfs/dbraw/zinc/24/71/01/206247101.db2.gz	ZRVLTQKENWGDHX-OAHLLOKOSA-N	-1	0	368.389	1.819	40	0		FDABRM
CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000016577295	206318333	/nfs/dbraw/zinc/31/83/33/206318333.db2.gz	UVSYGDAIZHLVBZ-HOSYDEDBSA-N	-1	0	369.830	1.977	40	0		FDABRM
Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(=O)n(C)c1=O	ZINC000192887867	206329219	/nfs/dbraw/zinc/32/92/19/206329219.db2.gz	ROXIWQRSOSUJJF-UHFFFAOYSA-N	-1	0	364.210	1.192	40	0		FDABRM
COCC(=O)N1CCC[C@H](c2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257235044	206605058	/nfs/dbraw/zinc/60/50/58/206605058.db2.gz	GWELOJSXZYTCJI-LBPRGKRZSA-N	-1	0	356.382	1.589	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257204812	206598856	/nfs/dbraw/zinc/59/88/56/206598856.db2.gz	AWJDALBTHDUKED-NSHDSACASA-N	-1	0	362.411	1.061	40	0		FDABRM
Cc1nc(-c2ccc(C(=O)[O-])cc2)cc([C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257218830	206601647	/nfs/dbraw/zinc/60/16/47/206601647.db2.gz	DENSSSVRNWKVJQ-AWEZNQCLSA-N	-1	0	361.423	1.899	40	0		FDABRM
Cc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])nc(Cl)n1	ZINC000072203179	136143791	/nfs/dbraw/zinc/14/37/91/136143791.db2.gz	XILSGJVYPXVYET-SNVBAGLBSA-N	-1	0	356.810	1.949	40	0		FDABRM
CCOc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000408587899	263475911	/nfs/dbraw/zinc/47/59/11/263475911.db2.gz	AMQQZDMNFVJJOM-UXBLZVDNSA-N	-1	0	369.171	1.825	40	0		FDABRM
Cc1nc2cc([C@@H]3CCCN3C(=O)CN3CCCC3=O)[n-]n2c(=O)c1C	ZINC000012336983	518605932	/nfs/dbraw/zinc/60/59/32/518605932.db2.gz	AOIKSEUQRAHJKU-AWEZNQCLSA-N	-1	0	357.414	1.338	40	0		FDABRM
CC(C)CNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217555038	519749438	/nfs/dbraw/zinc/74/94/38/519749438.db2.gz	DJAXZMCXOYJYEZ-GFCCVEGCSA-N	-1	0	356.444	1.910	40	0		FDABRM
CC(C)OCCCNS(=O)(=O)c1ccc(NCCCO)c(C(=O)[O-])c1	ZINC000217645278	519764635	/nfs/dbraw/zinc/76/46/35/519764635.db2.gz	FEUUICHLLRIULX-UHFFFAOYSA-N	-1	0	374.459	1.273	40	0		FDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217469664	523377036	/nfs/dbraw/zinc/37/70/36/523377036.db2.gz	CDKXJCSVGOVTGQ-UHFFFAOYSA-N	-1	0	368.411	1.905	40	0		FDABRM
O=C([O-])[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)[C@H]1CCOC1)CCC2	ZINC000096064277	525129220	/nfs/dbraw/zinc/12/92/20/525129220.db2.gz	BMBRIQFTYSQWES-DOXZYTNZSA-N	-1	0	359.426	1.248	40	0		FDABRM
CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000167834688	525610328	/nfs/dbraw/zinc/61/03/28/525610328.db2.gz	LBZRHCSMMXUSHJ-KPKJPENVSA-N	-1	0	365.363	1.749	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000217667183	536552837	/nfs/dbraw/zinc/55/28/37/536552837.db2.gz	JJPIJVVTRFFRBY-GFCCVEGCSA-N	-1	0	356.444	1.688	40	0		FDABRM
COC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1C	ZINC000223920633	537538431	/nfs/dbraw/zinc/53/84/31/537538431.db2.gz	DYFBIYISHPQGAW-UHFFFAOYSA-N	-1	0	370.412	1.392	40	0		FDABRM
CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c1	ZINC000324825614	537621557	/nfs/dbraw/zinc/62/15/57/537621557.db2.gz	XNWNWHFQBNQOGR-CYBMUJFWSA-N	-1	0	354.428	1.829	40	0		FDABRM
C[C@H](CC(=O)[O-])CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1	ZINC000563423238	546529138	/nfs/dbraw/zinc/52/91/38/546529138.db2.gz	LYDOHDRRBBSTNF-AWEZNQCLSA-N	-1	0	371.437	1.882	40	0		FDABRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)N(C)C1CCN(S(C)(=O)=O)CC1	ZINC000634919752	558542951	/nfs/dbraw/zinc/54/29/51/558542951.db2.gz	UDLYYELBAGQNNT-MRXNPFEDSA-N	-1	0	362.492	1.396	40	0		FDABRM
O=C([O-])CN1C(=O)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O	ZINC000408591743	570572657	/nfs/dbraw/zinc/57/26/57/570572657.db2.gz	KFLWPRIDRISNNN-QDEBKDIKSA-N	-1	0	364.155	1.908	40	0		FDABRM
CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000409221839	570742652	/nfs/dbraw/zinc/74/26/52/570742652.db2.gz	VJNSCFOMDDPSNA-UXBLZVDNSA-N	-1	0	369.171	1.825	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccncc2)n1	ZINC000328957003	571104675	/nfs/dbraw/zinc/10/46/75/571104675.db2.gz	AINDNADGSPAQGH-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
Cc1ncsc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O	ZINC000257237790	571153048	/nfs/dbraw/zinc/15/30/48/571153048.db2.gz	HIEZODJNDRXAQD-SNVBAGLBSA-N	-1	0	354.457	1.946	40	0		FDABRM
O=C(c1ccno1)N1CCO[C@H](c2cccc([N-]c3nncs3)n2)C1	ZINC000257269882	571156375	/nfs/dbraw/zinc/15/63/75/571156375.db2.gz	MRUNFPGJZAORBC-LBPRGKRZSA-N	-1	0	358.383	1.878	40	0		FDABRM
CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1	ZINC000257289585	571158674	/nfs/dbraw/zinc/15/86/74/571158674.db2.gz	PZHJBXVDZOVIJU-SNVBAGLBSA-N	-1	0	359.411	1.319	40	0		FDABRM
COc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)cc1	ZINC000257316481	571161027	/nfs/dbraw/zinc/16/10/27/571161027.db2.gz	VFUYXGSWCKLXAI-IAGOWNOFSA-N	-1	0	357.362	1.658	40	0		FDABRM
O=C(c1cnccn1)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1	ZINC000257319513	571161370	/nfs/dbraw/zinc/16/13/70/571161370.db2.gz	VSWSYQIXCVIKJW-UHFFFAOYSA-N	-1	0	362.397	1.820	40	0		FDABRM
CN1CCN(c2nn(-c3ccc(Br)cc3)nc2C(=O)[O-])CC1	ZINC000256047299	571321590	/nfs/dbraw/zinc/32/15/90/571321590.db2.gz	LSMRHFQHTCEFIX-UHFFFAOYSA-N	-1	0	366.219	1.480	40	0		FDABRM
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000262271989	571342152	/nfs/dbraw/zinc/34/21/52/571342152.db2.gz	YGOUHDGBPNODCI-OAHLLOKOSA-N	-1	0	368.455	1.595	40	0		FDABRM
COc1ccc([C@H]2c3cc4c(cc3O[C@](O)(CO)[C@@H]2C(=O)[O-])OCO4)cc1	ZINC000005809681	204226233	/nfs/dbraw/zinc/22/62/33/204226233.db2.gz	RQIGESLKGRMDPM-JENIJYKNSA-N	-1	0	374.345	1.330	40	0		FDABRM
O=C([O-])CCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2	ZINC000005865375	204227935	/nfs/dbraw/zinc/22/79/35/204227935.db2.gz	LOEZQFPPXUAYAN-UHFFFAOYSA-N	-1	0	368.382	1.555	40	0		FDABRM
CCOCCC1C(=O)N=C(SCC(=O)Nc2ccccc2F)N=C1[O-]	ZINC000013454017	206302489	/nfs/dbraw/zinc/30/24/89/206302489.db2.gz	QGQJQAKGRMDEGJ-UHFFFAOYSA-N	-1	0	367.402	1.924	40	0		FDABRM
CCc1nnc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)s1	ZINC000013568705	206302916	/nfs/dbraw/zinc/30/29/16/206302916.db2.gz	JMHUFVWAQGSMHT-UHFFFAOYSA-N	-1	0	369.453	1.835	40	0		FDABRM
COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCC(C(=O)[O-])CC2)C1=O	ZINC000018063732	206324893	/nfs/dbraw/zinc/32/48/93/206324893.db2.gz	INEYOJMSAVEMGI-ZDUSSCGKSA-N	-1	0	366.801	1.777	40	0		FDABRM
COCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC(C)C	ZINC000217511696	206364444	/nfs/dbraw/zinc/36/44/44/206364444.db2.gz	RTPYMDJKZQOBPY-UHFFFAOYSA-N	-1	0	374.459	1.537	40	0		FDABRM
CCOCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)[O-]	ZINC000217602601	206364488	/nfs/dbraw/zinc/36/44/88/206364488.db2.gz	LXTHEAYPRNUALB-UHFFFAOYSA-N	-1	0	374.459	1.538	40	0		FDABRM
COCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1	ZINC000217597563	206364521	/nfs/dbraw/zinc/36/45/21/206364521.db2.gz	WCMDSFLFJJVPDW-UHFFFAOYSA-N	-1	0	364.423	1.922	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217666862	206365495	/nfs/dbraw/zinc/36/54/95/206365495.db2.gz	DEYGVGFPOVSUJK-NWDGAFQWSA-N	-1	0	372.443	1.289	40	0		FDABRM
Cn1c2ccccc2c([O-])c([C@@H]2NN=C3c4ccccc4N(C)C(=O)[C@@H]32)c1=O	ZINC000100361606	132232327	/nfs/dbraw/zinc/23/23/27/132232327.db2.gz	SKVUSAKIFXNQAN-MAUKXSAKSA-N	-1	0	374.400	1.885	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CC2)c1C	ZINC000005090822	132826277	/nfs/dbraw/zinc/82/62/77/132826277.db2.gz	MQFAJDVHISGRMJ-XDNAFOTISA-N	-1	0	358.438	1.830	40	0		FDABRM
COc1cccc(N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)c1	ZINC000006714785	132833961	/nfs/dbraw/zinc/83/39/61/132833961.db2.gz	KUUWFNGPAWIKMU-NONVJHHQSA-N	-1	0	356.422	1.867	40	0		FDABRM
CC(C)(C(=O)[O-])C1(O)CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1	ZINC000558591066	544475887	/nfs/dbraw/zinc/47/58/87/544475887.db2.gz	DSYNZEJQGROUDH-UHFFFAOYSA-N	-1	0	363.382	1.591	40	0		FDABRM
CC(=O)N[C@@H](CC(=O)Nc1cccc2c1-c1ccccc1C2=O)C(=O)[O-]	ZINC000001721148	518234762	/nfs/dbraw/zinc/23/47/62/518234762.db2.gz	ZOYHSORKFDZUBV-HNNXBMFYSA-N	-1	0	352.346	1.816	40	0		FDABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccccc1N1CCOCC1	ZINC000007495213	518423993	/nfs/dbraw/zinc/42/39/93/518423993.db2.gz	GZAQBTCSSWOZRI-SSZFMOIBSA-N	-1	0	369.421	1.928	40	0		FDABRM
[NH3+][C@H](CC(=O)[O-])c1cnc([N-]S(=O)(=O)c2ccc3ccccc3c2)nc1	ZINC000008701488	518482119	/nfs/dbraw/zinc/48/21/19/518482119.db2.gz	QVNSNHXYXVHZBN-OAHLLOKOSA-N	-1	0	372.406	1.905	40	0		FDABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1O	ZINC000020152520	518845808	/nfs/dbraw/zinc/84/58/08/518845808.db2.gz	VIAAFIKDDATIFV-UHFFFAOYSA-N	-1	0	374.374	1.988	40	0		FDABRM
CC(C)OCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCO	ZINC000217511588	519764547	/nfs/dbraw/zinc/76/45/47/519764547.db2.gz	NLHYPCCTBZXDSJ-UHFFFAOYSA-N	-1	0	374.459	1.273	40	0		FDABRM
CCCN(Cc1noc(CCC(=O)[O-])n1)S(=O)(=O)c1ccccc1	ZINC000078400951	521696699	/nfs/dbraw/zinc/69/66/99/521696699.db2.gz	QNDHNBQBBYBOCE-UHFFFAOYSA-N	-1	0	353.400	1.688	40	0		FDABRM
CC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064255	525129500	/nfs/dbraw/zinc/12/95/00/525129500.db2.gz	CQOSFQDRULQYKJ-PXNSSMCTSA-N	-1	0	358.438	1.791	40	0		FDABRM
Cc1nc2cc([C@@H]3CCCN3C(=O)CCn3cncn3)[n-]n2c(=O)c1C	ZINC000100723871	525215343	/nfs/dbraw/zinc/21/53/43/525215343.db2.gz	QLFLVRWVRIKDHI-AWEZNQCLSA-N	-1	0	355.402	1.397	40	0		FDABRM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O)C(=O)[O-]	ZINC000101273601	525218160	/nfs/dbraw/zinc/21/81/60/525218160.db2.gz	JZIWFGRTZHUIMN-QWHCGFSZSA-N	-1	0	364.423	1.258	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccccc2C)s1	ZINC000225132584	537543623	/nfs/dbraw/zinc/54/36/23/537543623.db2.gz	OKZZHVVGEPUGJM-UHFFFAOYSA-N	-1	0	356.429	1.162	40	0		FDABRM
CC(=O)N1CCC[C@H](NC(=O)CCC(=O)[O-])[C@@H]1Cc1ccc(F)cc1	ZINC000585269378	551576523	/nfs/dbraw/zinc/57/65/23/551576523.db2.gz	QVVCAZZYEAFPJV-HOTGVXAUSA-N	-1	0	350.390	1.729	40	0		FDABRM
C[C@](CC(=O)N1CCN(CCO)CC1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634939942	558544541	/nfs/dbraw/zinc/54/45/41/558544541.db2.gz	SGFPUDQNXQZUFH-QGZVFWFLSA-N	-1	0	354.834	1.209	40	0		FDABRM
COc1ccccc1CNc1cc(-c2ccncc2)nc(NCC(=O)[O-])n1	ZINC000329015516	571107482	/nfs/dbraw/zinc/10/74/82/571107482.db2.gz	NCDHBCHTKNLOJS-UHFFFAOYSA-N	-1	0	365.393	1.500	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccn2)n1	ZINC000329045954	571108745	/nfs/dbraw/zinc/10/87/45/571108745.db2.gz	TYIDHWXVBVBXCL-UHFFFAOYSA-N	-1	0	371.347	1.769	40	0		FDABRM
CN(C)C(=O)[C@@H]1C[C@@H](n2cc(C(=O)[O-])ccc2=O)[C@H](c2ccccc2)N1C	ZINC000257216716	571151233	/nfs/dbraw/zinc/15/12/33/571151233.db2.gz	CVUCNJMMEVUTER-RYRKJORJSA-N	-1	0	369.421	1.621	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@H](O)[C@H](Cc2ccnc3cccnc23)C1	ZINC000257270432	571156299	/nfs/dbraw/zinc/15/62/99/571156299.db2.gz	MUEVWAYEZWMULS-ZBFHGGJFSA-N	-1	0	371.437	1.883	40	0		FDABRM
Cc1nc(C)c(C(=O)N2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)s1	ZINC000257292256	571158641	/nfs/dbraw/zinc/15/86/41/571158641.db2.gz	QKROAZFWUYORKF-JTQLQIEISA-N	-1	0	354.457	1.516	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257291709	571321748	/nfs/dbraw/zinc/32/17/48/571321748.db2.gz	QIHIAOVNJXWPRP-LBPRGKRZSA-N	-1	0	361.423	1.666	40	0		FDABRM
O=C([O-])[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1	ZINC000242723243	571358697	/nfs/dbraw/zinc/35/86/97/571358697.db2.gz	YIGHDHVYLNNDSZ-ZMSDIMECSA-N	-1	0	350.367	1.829	40	0		FDABRM
CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H]1N[C@H](C(=O)[O-])C(C)(C)S1	ZINC000005540077	204214789	/nfs/dbraw/zinc/21/47/89/204214789.db2.gz	HQEJTFRMUYHJJT-BZPMIXESSA-N	-1	0	366.439	1.242	40	0		FDABRM
O=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1Nc1nc([O-])cc(=O)[nH]1	ZINC000006568061	204255026	/nfs/dbraw/zinc/25/50/26/204255026.db2.gz	HQYNFWCLLKWBHR-RVDMUPIBSA-N	-1	0	373.372	1.224	40	0		FDABRM
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3cncn3)[n-]n2c1=O	ZINC000012276324	204446480	/nfs/dbraw/zinc/44/64/80/204446480.db2.gz	NPCQZENWSFRBRE-IUODEOHRSA-N	-1	0	369.429	1.822	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)s1	ZINC000036182683	205007275	/nfs/dbraw/zinc/00/72/75/205007275.db2.gz	KZOCAFDGIZOVIR-UHFFFAOYSA-N	-1	0	360.848	1.671	40	0		FDABRM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O)C(=O)[O-]	ZINC000101273596	205955903	/nfs/dbraw/zinc/95/59/03/205955903.db2.gz	NCOUAWQFEJLBPV-TZMCWYRMSA-N	-1	0	364.423	1.258	40	0		FDABRM
COc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccccc4)=NOC3=C2[O-])cc1	ZINC000100354938	205943572	/nfs/dbraw/zinc/94/35/72/205943572.db2.gz	OPOZTSJIWVLSJW-PBHICJAKSA-N	-1	0	350.330	1.822	40	0		FDABRM
CC[C@H](C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000004749214	206181051	/nfs/dbraw/zinc/18/10/51/206181051.db2.gz	XYGBRLBTBVBFTD-TVQRCGJNSA-N	-1	0	362.835	1.234	40	0		FDABRM
COc1ccc(OC)c(N2C(=O)C[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000009926979	206249530	/nfs/dbraw/zinc/24/95/30/206249530.db2.gz	YTKZBUFYNBUYRY-CQSZACIVSA-N	-1	0	362.382	1.132	40	0		FDABRM
COCCCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)[O-])c1	ZINC000217603321	206364578	/nfs/dbraw/zinc/36/45/78/206364578.db2.gz	KFWPRXDIPCVIRT-LLVKDONJSA-N	-1	0	360.432	1.146	40	0		FDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCC1	ZINC000217509091	206364620	/nfs/dbraw/zinc/36/46/20/206364620.db2.gz	UHGSCTBNYVFDNU-UHFFFAOYSA-N	-1	0	356.444	1.690	40	0		FDABRM
CCOCCCNc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1C(=O)[O-]	ZINC000217667579	206365514	/nfs/dbraw/zinc/36/55/14/206365514.db2.gz	XTAYJODTTDQYPN-LBPRGKRZSA-N	-1	0	374.459	1.537	40	0		FDABRM
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)cc(C(=O)[O-])n1c32	ZINC000005394023	518343423	/nfs/dbraw/zinc/34/34/23/518343423.db2.gz	KOXGRRHCYGGBTG-SNVBAGLBSA-N	-1	0	361.373	1.544	40	0		FDABRM
CCc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C	ZINC000012143727	518591472	/nfs/dbraw/zinc/59/14/72/518591472.db2.gz	MQPPOWAZQZQDQL-SECBINFHSA-N	-1	0	350.400	1.801	40	0		FDABRM
CCc1ccc(N2C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000016899745	518771149	/nfs/dbraw/zinc/77/11/49/518771149.db2.gz	NWCFXBHTDSKQPG-KGLIPLIRSA-N	-1	0	364.423	1.203	40	0		FDABRM
CCOC(=O)CCc1c(C)[nH]c2[n-]n(-c3ccc(F)cc3)c(=O)c2c1=O	ZINC000017074077	518775286	/nfs/dbraw/zinc/77/52/86/518775286.db2.gz	YRJGQFZBEXOWQB-UHFFFAOYSA-N	-1	0	359.357	1.950	40	0		FDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@@H]1CCCO1	ZINC000217469773	523375988	/nfs/dbraw/zinc/37/59/88/523375988.db2.gz	UIFQHNKLDLWSGY-ZDUSSCGKSA-N	-1	0	372.443	1.291	40	0		FDABRM
CC(C)(C)OC(=O)N[C@@H](CCSSCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000143479971	524370314	/nfs/dbraw/zinc/37/03/14/524370314.db2.gz	ZVJCAPAFUNQOTM-IUCAKERBSA-N	-1	0	368.477	1.538	40	0		FDABRM
O=C(c1cn[nH]n1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138652	525211754	/nfs/dbraw/zinc/21/17/54/525211754.db2.gz	NKGWOFBOFRDPTM-LLVKDONJSA-N	-1	0	367.413	1.452	40	0		FDABRM
CCc1[n-]n2c(nc([C@H]3CCN(C(=O)c4ccnn4C)C3)cc2=O)c1C	ZINC000100147055	525212490	/nfs/dbraw/zinc/21/24/90/525212490.db2.gz	KSKNJNSRTUTSLZ-LBPRGKRZSA-N	-1	0	354.414	1.669	40	0		FDABRM
C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCO)c1ccccc1	ZINC000217476937	525503695	/nfs/dbraw/zinc/50/36/95/525503695.db2.gz	RKFUZCONOJWGTO-LBPRGKRZSA-N	-1	0	364.423	1.829	40	0		FDABRM
O=C([O-])c1ccc(NCCCO)c(S(=O)(=O)NC2CCCCC2)c1	ZINC000217447847	526378162	/nfs/dbraw/zinc/37/81/62/526378162.db2.gz	ALUKCKPUWHXIDL-UHFFFAOYSA-N	-1	0	356.444	1.790	40	0		FDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1)c1ccccc1	ZINC000223051464	537516421	/nfs/dbraw/zinc/51/64/21/537516421.db2.gz	WWNRPJNPGOYMNW-LLVKDONJSA-N	-1	0	368.440	1.248	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(C)c(C)c2)s1	ZINC000225180305	537544291	/nfs/dbraw/zinc/54/42/91/537544291.db2.gz	JGNZHZSDOGUWOF-UHFFFAOYSA-N	-1	0	370.456	1.471	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)s1	ZINC000225139677	537544649	/nfs/dbraw/zinc/54/46/49/537544649.db2.gz	PSDOEACVJUCTNJ-VIFPVBQESA-N	-1	0	356.429	1.242	40	0		FDABRM
Cc1cc(Br)ccc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000573181732	550081086	/nfs/dbraw/zinc/08/10/86/550081086.db2.gz	CBQHMMOUDMJTEW-JTQLQIEISA-N	-1	0	364.217	1.232	40	0		FDABRM
CCN1C(=O)c2ccc(C(=O)Nc3c(C)n(C)nc3C(=O)[O-])cc2C1=O	ZINC000575410849	550461417	/nfs/dbraw/zinc/46/14/17/550461417.db2.gz	NGMFEHRMPYGEEQ-UHFFFAOYSA-N	-1	0	356.338	1.295	40	0		FDABRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)C3CCCCC3)cc2sc1=O	ZINC000585283009	551578969	/nfs/dbraw/zinc/57/89/69/551578969.db2.gz	ONNGNKASTHDXLJ-UHFFFAOYSA-N	-1	0	354.453	1.985	40	0		FDABRM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000408974880	570705908	/nfs/dbraw/zinc/70/59/08/570705908.db2.gz	HWQCWNMPKZBGHN-JTQLQIEISA-N	-1	0	351.746	1.362	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)n1	ZINC000328980367	571106040	/nfs/dbraw/zinc/10/60/40/571106040.db2.gz	GLNWKKFATIAXLQ-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccn2)n1	ZINC000329036463	571108254	/nfs/dbraw/zinc/10/82/54/571108254.db2.gz	RIZJFXGXMXABQR-UHFFFAOYSA-N	-1	0	371.784	1.982	40	0		FDABRM
CNc1nc(-c2cccnc2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000329050866	571130426	/nfs/dbraw/zinc/13/04/26/571130426.db2.gz	UVJSIHHPDMXKNF-UHFFFAOYSA-N	-1	0	372.410	2.266	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257204811	571149763	/nfs/dbraw/zinc/14/97/63/571149763.db2.gz	AWJDALBTHDUKED-LLVKDONJSA-N	-1	0	362.411	1.061	40	0		FDABRM
Cc1cc(C)nc([N-]c2nccnc2[C@@H]2CCCN2CC(=O)N(C)C)n1	ZINC000257301093	571159491	/nfs/dbraw/zinc/15/94/91/571159491.db2.gz	RWZBTVXNGTUIQN-AWEZNQCLSA-N	-1	0	355.446	1.852	40	0		FDABRM
O=C([O-])COc1cccc(C=c2sc3nc4ccccc4n3c2=O)c1	ZINC000254480273	571291912	/nfs/dbraw/zinc/29/19/12/571291912.db2.gz	KAOIVZGTRPILIH-UHFFFAOYSA-N	-1	0	352.371	1.920	40	0		FDABRM
COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2cc(O)ccc2Cl)n1	ZINC000002521491	204043375	/nfs/dbraw/zinc/04/33/75/204043375.db2.gz	IVNIYQSXICOYPT-UHFFFAOYSA-N	-1	0	373.778	1.058	40	0		FDABRM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000010151726	204000396	/nfs/dbraw/zinc/00/03/96/204000396.db2.gz	WMGBNUHUNCSNIF-HOTGVXAUSA-N	-1	0	372.421	1.727	40	0		FDABRM
COC(=O)c1cn([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)OC	ZINC000001608279	204013483	/nfs/dbraw/zinc/01/34/83/204013483.db2.gz	UMXSVLNMJVBOPN-UHFFFAOYSA-N	-1	0	368.367	1.002	40	0		FDABRM
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H](CS(C)(=O)=O)C(=O)[O-]	ZINC000002031889	204023524	/nfs/dbraw/zinc/02/35/24/204023524.db2.gz	ACGYJALXQWCTAS-LLVKDONJSA-N	-1	0	363.819	1.111	40	0		FDABRM
COc1ccc([C@@H]2c3cc4c(cc3O[C@@](O)(CO)[C@@H]2C(=O)[O-])OCO4)cc1	ZINC000005809684	204225641	/nfs/dbraw/zinc/22/56/41/204225641.db2.gz	RQIGESLKGRMDPM-AOIWGVFYSA-N	-1	0	374.345	1.330	40	0		FDABRM
CN1C[C@H](c2cc(=O)n3[n-]cc(C(=O)Nc4ccccc4)c3n2)CC1=O	ZINC000100775460	205948425	/nfs/dbraw/zinc/94/84/25/205948425.db2.gz	MNFXQPRCIFGEOE-LLVKDONJSA-N	-1	0	351.366	1.633	40	0		FDABRM
CC[C@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@H](C)O	ZINC000049180800	206086157	/nfs/dbraw/zinc/08/61/57/206086157.db2.gz	VDRDRMCAECTSGB-APPDUMDISA-N	-1	0	353.371	1.055	40	0	biogenic,in-vitro	FDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(OC)c2)cc1	ZINC000116713726	206099747	/nfs/dbraw/zinc/09/97/47/206099747.db2.gz	XAJVKQXXERLWHP-UHFFFAOYSA-N	-1	0	351.380	1.984	40	0		FDABRM
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000011582387	206283615	/nfs/dbraw/zinc/28/36/15/206283615.db2.gz	UXEDYYWVDVLBNH-WYUUTHIRSA-N	-1	0	355.460	1.943	40	0		FDABRM
CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)s1	ZINC000017073024	206322271	/nfs/dbraw/zinc/32/22/71/206322271.db2.gz	UHCVYUMZZUAAFU-USZNOCQGSA-N	-1	0	352.412	1.616	40	0		FDABRM
O=C([O-])c1cnc(NS(=O)(=O)c2ccc(Br)cc2)[nH]c1=O	ZINC000217384280	206362357	/nfs/dbraw/zinc/36/23/57/206362357.db2.gz	OBKGUHRMJKSJOT-UHFFFAOYSA-N	-1	0	374.172	1.031	40	0		FDABRM
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)COC	ZINC000217534861	206364431	/nfs/dbraw/zinc/36/44/31/206364431.db2.gz	BJNIDTBQLITHMW-MNOVXSKESA-N	-1	0	360.432	1.145	40	0		FDABRM
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)cc1	ZINC000217729504	206365552	/nfs/dbraw/zinc/36/55/52/206365552.db2.gz	MYGGCMGHANHIFH-UHFFFAOYSA-N	-1	0	350.352	1.050	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217666605	206365941	/nfs/dbraw/zinc/36/59/41/206365941.db2.gz	DEYGVGFPOVSUJK-NEPJUHHUSA-N	-1	0	372.443	1.289	40	0		FDABRM
COC[C@@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O	ZINC000218196250	206368538	/nfs/dbraw/zinc/36/85/38/206368538.db2.gz	FGCLEQCOCZDXJJ-NTZNESFSSA-N	-1	0	363.229	1.677	40	0		FDABRM
Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)C[C@@H]2C)cc1	ZINC000226977975	132288130	/nfs/dbraw/zinc/28/81/30/132288130.db2.gz	FUMBRRPVZRBAAB-JFMONLCZSA-N	-1	0	358.438	1.910	40	0		FDABRM
CCC[C@H](N[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21)C(=O)OCC	ZINC000003831300	518279758	/nfs/dbraw/zinc/27/97/58/518279758.db2.gz	IPVQLZZIHOAWMC-IBEHDNSVSA-N	-1	0	368.474	1.941	40	0		FDABRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1	ZINC000006971031	518396372	/nfs/dbraw/zinc/39/63/72/518396372.db2.gz	OUJCPMXBVZRZMZ-GXDHUFHOSA-N	-1	0	352.350	1.941	40	0		FDABRM
Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000017076406	518775444	/nfs/dbraw/zinc/77/54/44/518775444.db2.gz	HTSWKCQLFDXXHD-URBCHYCLSA-N	-1	0	373.331	1.371	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCN(C(=O)c4cncc(N)c4)C3)cc2n1	ZINC000100138293	525211843	/nfs/dbraw/zinc/21/18/43/525211843.db2.gz	RAZLXTITVHPUAO-GFCCVEGCSA-N	-1	0	366.425	1.994	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)s1	ZINC000224404856	537539992	/nfs/dbraw/zinc/53/99/92/537539992.db2.gz	BFVVFHAGSIYTFU-UHFFFAOYSA-N	-1	0	372.428	1.705	40	0		FDABRM
CC(C)CCOc1ccc(=NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)[n-]n1	ZINC000599800942	553151825	/nfs/dbraw/zinc/15/18/25/553151825.db2.gz	MSLLPRVGUVCAEN-PJGQNWHFSA-N	-1	0	366.487	2.419	40	0		FDABRM
CCOc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000408593578	570575205	/nfs/dbraw/zinc/57/52/05/570575205.db2.gz	QINVTHQRMQYUCJ-UXBLZVDNSA-N	-1	0	369.171	1.825	40	0		FDABRM
CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(C(=O)[O-])ccc1=O	ZINC000257324096	570626948	/nfs/dbraw/zinc/62/69/48/570626948.db2.gz	WNDYTCAOHPJEHK-INIZCTEOSA-N	-1	0	353.378	1.948	40	0		FDABRM
CCNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCC(=O)[O-])n1	ZINC000329053215	571108886	/nfs/dbraw/zinc/10/88/86/571108886.db2.gz	VESDYJJACNTQOA-UHFFFAOYSA-N	-1	0	356.304	1.814	40	0		FDABRM
COCC(=O)N1CCC(Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)CC1	ZINC000257229740	571152407	/nfs/dbraw/zinc/15/24/07/571152407.db2.gz	FZHWIDNIHBZPFT-UHFFFAOYSA-N	-1	0	370.409	1.664	40	0		FDABRM
COCC(=O)N1CCC[C@H](c2cc(-c3cncc(C(=O)[O-])c3)nc(C)n2)C1	ZINC000257292343	571158766	/nfs/dbraw/zinc/15/87/66/571158766.db2.gz	QLBDHMLGYIFTOG-ZDUSSCGKSA-N	-1	0	370.409	1.898	40	0		FDABRM
CC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2cc(=O)n3[n-]ccc3n2)CC1	ZINC000257336097	571162982	/nfs/dbraw/zinc/16/29/82/571162982.db2.gz	YNDOONYMPCKMAW-OAHLLOKOSA-N	-1	0	357.414	1.152	40	0		FDABRM
COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262413249	571343346	/nfs/dbraw/zinc/34/33/46/571343346.db2.gz	PSDCJUKJEAKCJS-LLVKDONJSA-N	-1	0	361.391	1.336	40	0		FDABRM
CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)c1ccccn1)C(=O)[O-]	ZINC000104850236	203930169	/nfs/dbraw/zinc/93/01/69/203930169.db2.gz	WDBMDLPFTOIHQM-CYBMUJFWSA-N	-1	0	351.403	1.960	40	0		FDABRM
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1	ZINC000002736244	204053526	/nfs/dbraw/zinc/05/35/26/204053526.db2.gz	JEOLWQPVXWMWMG-QPNXVFALSA-N	-1	0	373.361	1.721	40	0		FDABRM
COCCNC(=O)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1	ZINC000035315555	204238213	/nfs/dbraw/zinc/23/82/13/204238213.db2.gz	SSYLPQFGOJUTAR-UHFFFAOYSA-N	-1	0	362.777	1.005	40	0		FDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Oc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000006214491	204240970	/nfs/dbraw/zinc/24/09/70/204240970.db2.gz	RQBCDILYMQJTAQ-UHFFFAOYSA-N	-1	0	370.408	1.120	40	0		FDABRM
COc1ccc2sc(N3C[C@]45C=C[C@H](O4)[C@@H](C(=O)[O-])[C@H]5C3=O)nc2c1	ZINC000043735518	205104489	/nfs/dbraw/zinc/10/44/89/205104489.db2.gz	ZTKYSQQEFVALOZ-IMODNSLOSA-N	-1	0	358.375	1.676	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1N1CCCC1	ZINC000217634167	206364076	/nfs/dbraw/zinc/36/40/76/206364076.db2.gz	MVWKGSJDHGTDHF-GFCCVEGCSA-N	-1	0	354.428	1.442	40	0		FDABRM
COCCCNS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)[O-])c1	ZINC000217603238	206364181	/nfs/dbraw/zinc/36/41/81/206364181.db2.gz	KFWPRXDIPCVIRT-NSHDSACASA-N	-1	0	360.432	1.146	40	0		FDABRM
O=C([O-])[C@@]1(CO)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218500655	206370445	/nfs/dbraw/zinc/37/04/45/206370445.db2.gz	YIGHDHVYLNNDSZ-ZOBUZTSGSA-N	-1	0	350.367	1.829	40	0		FDABRM
CS(=O)(=O)N1CCC[C@H](c2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257206093	206598084	/nfs/dbraw/zinc/59/80/84/206598084.db2.gz	BBUYXNUWNXXMJW-AWEZNQCLSA-N	-1	0	361.423	1.981	40	0		FDABRM
COCC(=O)N1CC[C@@H](c2cc(-c3cncc(C(=O)[O-])c3)nc(C)n2)C1	ZINC000257333717	206627356	/nfs/dbraw/zinc/62/73/56/206627356.db2.gz	YCTMQIJOIOCVHC-GFCCVEGCSA-N	-1	0	356.382	1.508	40	0		FDABRM
CCCc1cc(=O)n2nc(C(=O)N3CCN(c4ccccc4)CC3)[n-]c2n1	ZINC000100486586	132232592	/nfs/dbraw/zinc/23/25/92/132232592.db2.gz	NLOPRKUDLSHHRK-UHFFFAOYSA-N	-1	0	366.425	1.333	40	0		FDABRM
O=C([O-])c1cc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1N1CCOCC1	ZINC000100582003	132233136	/nfs/dbraw/zinc/23/31/36/132233136.db2.gz	ROKYNMWYXSKGTI-KBPBESRZSA-N	-1	0	358.394	1.901	40	0		FDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCCC1	ZINC000138503165	132251966	/nfs/dbraw/zinc/25/19/66/132251966.db2.gz	NWXFZNFIRGFUQM-UHFFFAOYSA-N	-1	0	356.444	1.690	40	0		FDABRM
O=C([O-])[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Br)c2)C1	ZINC000045958102	132375437	/nfs/dbraw/zinc/37/54/37/132375437.db2.gz	YWWCSKZFPJCRAX-JTQLQIEISA-N	-1	0	369.215	1.723	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000005799290	132830055	/nfs/dbraw/zinc/83/00/55/132830055.db2.gz	JDRNIXRYTRZGKC-QXSJWSMHSA-N	-1	0	364.829	1.867	40	0		FDABRM
CC(=O)N[C@@H](Cc1cc(C)c(O)c(I)c1)C(=O)[O-]	ZINC000001713869	518234064	/nfs/dbraw/zinc/23/40/64/518234064.db2.gz	DZHRHKXOBCVTBR-JTQLQIEISA-N	-1	0	363.151	1.437	40	0		FDABRM
COCCN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)[O-])C1=O	ZINC000008104515	518454842	/nfs/dbraw/zinc/45/48/42/518454842.db2.gz	SUXWPULCBYGYDB-XYOKQWHBSA-N	-1	0	367.379	1.841	40	0		FDABRM
CCc1c(C)[n-]n2c1nc([C@H]1CCN(C(=O)c3ccn(C)n3)C1)cc2=O	ZINC000012276432	518599871	/nfs/dbraw/zinc/59/98/71/518599871.db2.gz	SKEVGKLUIOZPGX-LBPRGKRZSA-N	-1	0	354.414	1.669	40	0		FDABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(C)C(=O)C(C(N)=O)=C1C	ZINC000035183208	519601772	/nfs/dbraw/zinc/60/17/72/519601772.db2.gz	XVPXZEBVFIARFG-UKTHLTGXSA-N	-1	0	366.377	1.070	40	0		FDABRM
COC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217496069	522628472	/nfs/dbraw/zinc/62/84/72/522628472.db2.gz	YCXGVBZPBRQTNW-NSHDSACASA-N	-1	0	368.411	1.903	40	0		FDABRM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)Cc1ccsc1)CC2	ZINC000096157054	525144355	/nfs/dbraw/zinc/14/43/55/525144355.db2.gz	JNQBHZWCSVXSNW-CQSZACIVSA-N	-1	0	350.440	1.605	40	0		FDABRM
O=C([O-])CCOCCOCCOCCNC(=O)OCc1ccccc1	ZINC000219027076	537470494	/nfs/dbraw/zinc/47/04/94/537470494.db2.gz	SBHUTZVKPJPFBD-UHFFFAOYSA-N	-1	0	355.387	1.437	40	0		FDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)c1	ZINC000223297724	537522688	/nfs/dbraw/zinc/52/26/88/537522688.db2.gz	UHMUJGGDJNLCBT-UHFFFAOYSA-N	-1	0	366.395	1.369	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccco2)s1	ZINC000224375778	537541069	/nfs/dbraw/zinc/54/10/69/537541069.db2.gz	YCXLPBCZJICICV-UHFFFAOYSA-N	-1	0	358.445	1.637	40	0		FDABRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)on1	ZINC000585273488	551576566	/nfs/dbraw/zinc/57/65/66/551576566.db2.gz	RWBYWHFDGGKMMQ-SECBINFHSA-N	-1	0	365.367	1.130	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C(=O)[O-])C=C1COC(=O)[C@@]12O	ZINC000252516652	560040920	/nfs/dbraw/zinc/04/09/20/560040920.db2.gz	VRZDHXFAIKNSLX-FMNJWYEQSA-N	-1	0	364.394	1.600	40	0	biogenic,in-vitro	FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C(=O)[O-])C=C1COC(=O)[C@]12O	ZINC000252516651	560040922	/nfs/dbraw/zinc/04/09/22/560040922.db2.gz	VRZDHXFAIKNSLX-BGUWLWDXSA-N	-1	0	364.394	1.600	40	0	biogenic,in-vitro	FDABRM
CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409220769	570742614	/nfs/dbraw/zinc/74/26/14/570742614.db2.gz	FLMAZIBCKGRBMY-BJMVGYQFSA-N	-1	0	354.746	1.725	40	0		FDABRM
CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C[C@@H]1C(N)=O	ZINC000257204168	571149486	/nfs/dbraw/zinc/14/94/86/571149486.db2.gz	ATICQVPHRXMSRB-MRXNPFEDSA-N	-1	0	371.393	1.163	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257244869	571153786	/nfs/dbraw/zinc/15/37/86/571153786.db2.gz	INDSRIKDXHRCLS-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
Cc1cc(-c2ccc(C(=O)[O-])cc2)nc([C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257250580	571154248	/nfs/dbraw/zinc/15/42/48/571154248.db2.gz	JNCDCGPTJOLWCW-CQSZACIVSA-N	-1	0	361.423	1.899	40	0		FDABRM
CC(C)(C)c1cc(C(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)[nH]n1	ZINC000257274106	571156830	/nfs/dbraw/zinc/15/68/30/571156830.db2.gz	NJPCMEFFUBRPLE-CYBMUJFWSA-N	-1	0	359.430	1.677	40	0		FDABRM
CN1CCN(c2nn(-c3cccc(C(F)(F)F)c3)nc2C(=O)[O-])CC1	ZINC000256048533	571321587	/nfs/dbraw/zinc/32/15/87/571321587.db2.gz	UESOJNMCPMDJGG-UHFFFAOYSA-N	-1	0	355.320	1.736	40	0		FDABRM
COCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	ZINC000224622364	209790392	/nfs/dbraw/zinc/79/03/92/209790392.db2.gz	LJOFNXHRZJUWRI-UHFFFAOYSA-N	-1	0	356.429	1.024	40	0		FDABRM
O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101686165	209229623	/nfs/dbraw/zinc/22/96/23/209229623.db2.gz	BIPVRXOQQHRWGE-FZNQNYSPSA-N	-1	0	369.421	1.918	40	0		FDABRM
Cc1ccc(NC(=O)c2c[n-]n3c2nc([C@@H]2CC(=O)N(C)C2)cc3=O)cc1	ZINC000100775555	209217886	/nfs/dbraw/zinc/21/78/86/209217886.db2.gz	GPIQLNMOVUEQBQ-GFCCVEGCSA-N	-1	0	365.393	1.941	40	0		FDABRM
Cc1nonc1CC(=O)N1CCC[C@@H](c2cc3nc(C)cc(=O)n3[n-]2)C1	ZINC000100137877	209209279	/nfs/dbraw/zinc/20/92/79/209209279.db2.gz	QRBMBLKBKBXKJF-GFCCVEGCSA-N	-1	0	356.386	1.383	40	0		FDABRM
COC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000036182874	207269969	/nfs/dbraw/zinc/26/99/69/207269969.db2.gz	BLURUPCJCGSKIC-UHFFFAOYSA-N	-1	0	356.385	1.084	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@H]3CCCN3C(=O)c3cnn4cccnc34)cc2n1	ZINC000012154050	207343999	/nfs/dbraw/zinc/34/39/99/207343999.db2.gz	KENRQBCAHDKYFG-CQSZACIVSA-N	-1	0	363.381	1.763	40	0		FDABRM
Cc1nc2cc([C@@H]3CCCN3C(=O)c3ccc(=O)[nH]n3)[n-]n2c(=O)c1C	ZINC000012336965	207362440	/nfs/dbraw/zinc/36/24/40/207362440.db2.gz	YGDJSGZVDWMIAK-ZDUSSCGKSA-N	-1	0	354.370	1.112	40	0		FDABRM
CN(C[C@@]1(O)CCCN(c2nccn3cccc23)C1)C(=O)CCCC(=O)[O-]	ZINC000257209143	132294688	/nfs/dbraw/zinc/29/46/88/132294688.db2.gz	BPEUOPJAGZLMOC-IBGZPJMESA-N	-1	0	374.441	1.379	40	0		FDABRM
CN(C[C@@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)/C=C/C(=O)[O-]	ZINC000257320439	132297030	/nfs/dbraw/zinc/29/70/30/132297030.db2.gz	VWVLALFPHLNMBL-UEKDZROGSA-N	-1	0	370.409	1.060	40	0		FDABRM
COC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001675920	518234991	/nfs/dbraw/zinc/23/49/91/518234991.db2.gz	ALDQYCRVWHGEFT-GJZGRUSLSA-N	-1	0	372.329	1.695	40	0		FDABRM
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1)C(=O)[O-]	ZINC000002560898	518244602	/nfs/dbraw/zinc/24/46/02/518244602.db2.gz	NOTCFISCFHKOHX-AULVFQMTSA-N	-1	0	356.378	1.610	40	0		FDABRM
Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000004124158	518287380	/nfs/dbraw/zinc/28/73/80/518287380.db2.gz	AQNVIXFHOBUMTK-CLWVCHIJSA-N	-1	0	367.405	1.946	40	0		FDABRM
CCNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000006681725	518382944	/nfs/dbraw/zinc/38/29/44/518382944.db2.gz	CSVICYNTLKQIDJ-UHFFFAOYSA-N	-1	0	354.409	1.997	40	0		FDABRM
C[C@@H](NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)[O-]	ZINC000006681680	518383149	/nfs/dbraw/zinc/38/31/49/518383149.db2.gz	AGGYNAOMOXGEGS-SECBINFHSA-N	-1	0	354.409	1.752	40	0		FDABRM
O=S(=O)([N-]c1nccs1)c1ccc(Nc2nc(O)cs2)cc1	ZINC000016804960	518769973	/nfs/dbraw/zinc/76/99/73/518769973.db2.gz	DKCUCBAMRIOUKT-UHFFFAOYSA-N	-1	0	354.438	1.985	40	0		FDABRM
COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc(C)c(F)c(=O)[n-]1	ZINC000019579274	518818923	/nfs/dbraw/zinc/81/89/23/518818923.db2.gz	UQBIMRPEIDSHHZ-LBPRGKRZSA-N	-1	0	361.373	1.969	40	0		FDABRM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000020204110	518844460	/nfs/dbraw/zinc/84/44/60/518844460.db2.gz	KNOCULMLCYXLKH-GFCCVEGCSA-N	-1	0	352.412	1.299	40	0		FDABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1O	ZINC000020152521	518844634	/nfs/dbraw/zinc/84/46/34/518844634.db2.gz	UFMQKUANHCVMFR-UHFFFAOYSA-N	-1	0	374.374	1.988	40	0		FDABRM
CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1	ZINC000217424814	519749491	/nfs/dbraw/zinc/74/94/91/519749491.db2.gz	MJZXXJZGIHJLAN-CYBMUJFWSA-N	-1	0	356.444	1.910	40	0		FDABRM
COCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217493825	523963192	/nfs/dbraw/zinc/96/31/92/523963192.db2.gz	VSHDXNNMBDPIEW-UHFFFAOYSA-N	-1	0	354.384	1.515	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccnc2)n1	ZINC000329024330	527611604	/nfs/dbraw/zinc/61/16/04/527611604.db2.gz	OZEFVDDLHQDJHV-UHFFFAOYSA-N	-1	0	371.784	1.982	40	0		FDABRM
CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CO)C(=O)[O-]	ZINC000218206686	537462051	/nfs/dbraw/zinc/46/20/51/537462051.db2.gz	KNHZHRMPRMFWBY-DMDPSCGWSA-N	-1	0	363.229	1.413	40	0		FDABRM
COC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)[O-]	ZINC000217668862	537455732	/nfs/dbraw/zinc/45/57/32/537455732.db2.gz	ROAHYKJCCRBPMO-GHMZBOCLSA-N	-1	0	360.432	1.145	40	0		FDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1)c1ccccc1	ZINC000223051411	537516135	/nfs/dbraw/zinc/51/61/35/537516135.db2.gz	WWNRPJNPGOYMNW-NSHDSACASA-N	-1	0	368.440	1.248	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2)s1	ZINC000223115857	537519429	/nfs/dbraw/zinc/51/94/29/537519429.db2.gz	OVGAMCZEUSFFCO-UHFFFAOYSA-N	-1	0	370.456	1.762	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)s1	ZINC000225531605	537554101	/nfs/dbraw/zinc/55/41/01/537554101.db2.gz	TZWZUTIOISHRFN-UHFFFAOYSA-N	-1	0	370.412	1.474	40	0		FDABRM
O=C([O-])CNc1nc(Nc2cc(F)ccc2F)cc(-c2cccnc2)n1	ZINC000328955326	571104673	/nfs/dbraw/zinc/10/46/73/571104673.db2.gz	ABRLGZZTFGHIII-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)nc(NCC(=O)[O-])n2)c1	ZINC000328962574	571104939	/nfs/dbraw/zinc/10/49/39/571104939.db2.gz	BJHUREYOFANDSN-UHFFFAOYSA-N	-1	0	372.381	1.233	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccccc2F)cc(-c2ccccn2)n1	ZINC000329012033	571107157	/nfs/dbraw/zinc/10/71/57/571107157.db2.gz	MHKZGPVFZZZENS-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cc(-c3ccc(C(=O)[O-])cc3)ncn2)C1	ZINC000257254504	571154802	/nfs/dbraw/zinc/15/48/02/571154802.db2.gz	KDIKAIKNXPRBTL-LBPRGKRZSA-N	-1	0	361.423	1.666	40	0		FDABRM
C[C@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)[O-])cn2)CCO1	ZINC000257312030	571160660	/nfs/dbraw/zinc/16/06/60/571160660.db2.gz	UMDMWKIVRMUWMZ-LJQANCHMSA-N	-1	0	355.394	1.523	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257233827	571321798	/nfs/dbraw/zinc/32/17/98/571321798.db2.gz	GQXIPTPPRCCDMP-GFCCVEGCSA-N	-1	0	361.423	1.666	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3cncc(C(=O)[O-])c3)nc2)C1	ZINC000257263635	209982180	/nfs/dbraw/zinc/98/21/80/209982180.db2.gz	LQUWTFNSHTTWGQ-CYBMUJFWSA-N	-1	0	361.423	1.666	40	0		FDABRM
O=C([O-])CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccnc3)ccc12	ZINC000005397187	209442014	/nfs/dbraw/zinc/44/20/14/209442014.db2.gz	KTVFJEFUNVKYDI-DZGCQCFKSA-N	-1	0	367.405	1.721	40	0	biogenic,in-vitro	FDABRM
CC1(C)C[C@H]1C(=O)N/C(=C/CCCCSC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000001530663	209392125	/nfs/dbraw/zinc/39/21/25/209392125.db2.gz	DHSUYTOATWAVLW-GNAUDSRASA-N	-1	0	358.460	1.433	40	0		FDABRM
O=C(c1cccnc1)N1CC[C@H](c2nc(-c3ccc[nH]c3=O)cc(=O)[nH]2)C1	ZINC000100745124	209217170	/nfs/dbraw/zinc/21/71/70/209217170.db2.gz	JLFZUEYJXKEHOP-ZDUSSCGKSA-N	-1	0	363.377	1.975	40	0		FDABRM
O=C([O-])CNc1nc(Nc2c(F)cc(F)cc2F)cc(C(F)(F)F)n1	ZINC000328981589	206726146	/nfs/dbraw/zinc/72/61/46/206726146.db2.gz	GUOFQLHSHHYDIK-UHFFFAOYSA-N	-1	0	366.221	1.997	40	0		FDABRM
CC(C)(C)OC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005714125	207113209	/nfs/dbraw/zinc/11/32/09/207113209.db2.gz	WRPLZGOCZPJKHO-CQSZACIVSA-N	-1	0	361.398	1.805	40	0		FDABRM
COc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824036	207117464	/nfs/dbraw/zinc/11/74/64/207117464.db2.gz	ZXVIFYTUOVPUQV-ODCWNRFASA-N	-1	0	358.375	1.331	40	0		FDABRM
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@H](C)n3cncn3)[n-]n2c1=O	ZINC000012276328	207353828	/nfs/dbraw/zinc/35/38/28/207353828.db2.gz	NPCQZENWSFRBRE-SWLSCSKDSA-N	-1	0	369.429	1.822	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1	ZINC000036182921	208148732	/nfs/dbraw/zinc/14/87/32/208148732.db2.gz	ANQPCLDIOZSYLL-UHFFFAOYSA-N	-1	0	356.385	1.069	40	0		FDABRM
O=C([O-])CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1	ZINC000041058364	208280498	/nfs/dbraw/zinc/28/04/98/208280498.db2.gz	YRPAEPXKEWAFHN-CQSZACIVSA-N	-1	0	372.418	1.350	40	0		FDABRM
Cn1c2ccc(S(=O)(=O)[N-]c3cc(C(C)(C)C)no3)cc2n(C)c1=O	ZINC000172834248	258286210	/nfs/dbraw/zinc/28/62/10/258286210.db2.gz	XXXPUFPAMRLCCV-UHFFFAOYSA-N	-1	0	364.427	1.963	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCC2)ccc1N1CCOCC1	ZINC000217577185	132272305	/nfs/dbraw/zinc/27/23/05/132272305.db2.gz	YHJYILOTCCFALP-UHFFFAOYSA-N	-1	0	354.428	1.442	40	0		FDABRM
CC[C@@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@@]2(CCOC2)O1	ZINC000368445098	260184073	/nfs/dbraw/zinc/18/40/73/260184073.db2.gz	FQDWIZMDSQDYHY-QMTHXVAHSA-N	-1	0	361.441	1.405	40	0		FDABRM
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1C(=O)[O-]	ZINC000004410298	518298550	/nfs/dbraw/zinc/29/85/50/518298550.db2.gz	WAQUWHJCIHEJSC-LICLKQGHSA-N	-1	0	361.379	1.656	40	0		FDABRM
CC1(C)S[C@@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000005415552	518344159	/nfs/dbraw/zinc/34/41/59/518344159.db2.gz	LTLGHWWAISDESV-JFGNBEQYSA-N	-1	0	369.830	1.977	40	0		FDABRM
CN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000006680278	518380363	/nfs/dbraw/zinc/38/03/63/518380363.db2.gz	WIYZMUBESMAIMB-UHFFFAOYSA-N	-1	0	354.409	1.949	40	0		FDABRM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000016899956	518771596	/nfs/dbraw/zinc/77/15/96/518771596.db2.gz	ISNDLHIPIULAAM-NWDGAFQWSA-N	-1	0	370.814	1.294	40	0		FDABRM
C[C@@H](C(=O)[O-])N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2	ZINC000072326481	522215431	/nfs/dbraw/zinc/21/54/31/522215431.db2.gz	ZLVHYSNXCHQSOG-FVMDXXJSSA-N	-1	0	351.790	1.677	40	0		FDABRM
COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1	ZINC000217465553	523959316	/nfs/dbraw/zinc/95/93/16/523959316.db2.gz	UMZDHQUMKDAHJQ-UHFFFAOYSA-N	-1	0	364.423	1.922	40	0		FDABRM
O=C([O-])c1nnn(-c2ccc3c(c2)OCCO3)c1CSc1ncccn1	ZINC000085398260	524352492	/nfs/dbraw/zinc/35/24/92/524352492.db2.gz	DRTPSROJUHYCKZ-UHFFFAOYSA-N	-1	0	371.378	1.819	40	0		FDABRM
COCCCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217627051	537455684	/nfs/dbraw/zinc/45/56/84/537455684.db2.gz	WFTXRFQKRLEEOM-UHFFFAOYSA-N	-1	0	368.411	1.905	40	0		FDABRM
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1	ZINC000218111788	537458989	/nfs/dbraw/zinc/45/89/89/537458989.db2.gz	CBBVZULXJKEVAY-SOLBZPMBSA-N	-1	0	361.419	1.725	40	0		FDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000224161390	537540629	/nfs/dbraw/zinc/54/06/29/537540629.db2.gz	YQLQKYPDJGEJQZ-AEJSXWLSSA-N	-1	0	358.489	1.990	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCc2ccc(F)cc2)s1	ZINC000225128452	537544388	/nfs/dbraw/zinc/54/43/88/537544388.db2.gz	ZISJZWLIWMKXHR-UHFFFAOYSA-N	-1	0	372.447	1.793	40	0		FDABRM
C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000229853027	537574957	/nfs/dbraw/zinc/57/49/57/537574957.db2.gz	XBJPWUIUZSUXFV-CZAMWMTLSA-N	-1	0	363.753	1.234	40	0		FDABRM
CO[C@H](C)CS(=O)(=O)[N-]c1ncc(I)cc1C	ZINC000295345843	537712677	/nfs/dbraw/zinc/71/26/77/537712677.db2.gz	QGJYOZUUDGTJTO-MRVPVSSYSA-N	-1	0	370.212	1.771	40	0		FDABRM
CN1C(=O)SC(=Cc2c(=O)[n-]c(=S)n(-c3ccccc3)c2O)C1=O	ZINC000408812581	570689140	/nfs/dbraw/zinc/68/91/40/570689140.db2.gz	NKZCYMGJYLTDAA-CBFJXKFUSA-N	-1	0	361.404	1.260	40	0		FDABRM
CCCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(OC)c2)NC1=S	ZINC000409076591	570718817	/nfs/dbraw/zinc/71/88/17/570718817.db2.gz	AVXWLTUNZPTGEG-XFFZJAGNSA-N	-1	0	350.396	1.626	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)c(F)c2)cc(C(F)(F)F)n1	ZINC000328965963	571105392	/nfs/dbraw/zinc/10/53/92/571105392.db2.gz	CHLMVZJKXNXMAO-UHFFFAOYSA-N	-1	0	362.258	1.726	40	0		FDABRM
COC(=O)c1ccc(Nc2cc(C3CC3)nc(NCC(=O)[O-])n2)cc1OC	ZINC000329044409	571108424	/nfs/dbraw/zinc/10/84/24/571108424.db2.gz	SXFOMYXOLGMZED-UHFFFAOYSA-N	-1	0	372.381	1.233	40	0		FDABRM
O=C([O-])CNC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1	ZINC000256027832	571147971	/nfs/dbraw/zinc/14/79/71/571147971.db2.gz	FEPRFJXRLGIFRQ-INIZCTEOSA-N	-1	0	355.346	1.720	40	0		FDABRM
CNc1nccnc1[C@H]1CN(Cc2ccccc2OCC(=O)[O-])CCO1	ZINC000257204636	571149365	/nfs/dbraw/zinc/14/93/65/571149365.db2.gz	AVQAOWMONJHTRX-OAHLLOKOSA-N	-1	0	358.398	1.555	40	0		FDABRM
CCc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)on1	ZINC000257240796	571153337	/nfs/dbraw/zinc/15/33/37/571153337.db2.gz	HVFWIOJOCFSSPO-LLVKDONJSA-N	-1	0	352.416	1.731	40	0		FDABRM
Cc1cc(-c2ccc(C(=O)[O-])cc2)nc([C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257250579	571154000	/nfs/dbraw/zinc/15/40/00/571154000.db2.gz	JNCDCGPTJOLWCW-AWEZNQCLSA-N	-1	0	361.423	1.899	40	0		FDABRM
COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1	ZINC000257274477	571156951	/nfs/dbraw/zinc/15/69/51/571156951.db2.gz	NLEOLQONPMAKGX-QGZVFWFLSA-N	-1	0	357.410	1.950	40	0		FDABRM
COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1	ZINC000257290713	571158753	/nfs/dbraw/zinc/15/87/53/571158753.db2.gz	QEANFVAMQSIEHA-MRXNPFEDSA-N	-1	0	357.410	1.950	40	0		FDABRM
Cc1nc(-c2cccc(C(=O)[O-])c2)cc([C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257323598	571161907	/nfs/dbraw/zinc/16/19/07/571161907.db2.gz	WLALCCFFWDQDBD-CQSZACIVSA-N	-1	0	361.423	1.899	40	0		FDABRM
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)[O-])cc1	ZINC000252514989	571319700	/nfs/dbraw/zinc/31/97/00/571319700.db2.gz	FQVVFNIRUDSZMG-SOLBZPMBSA-N	-1	0	362.403	1.698	40	0		FDABRM
COCC(=O)N1CCC[C@H](Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)C1	ZINC000257322143	209997728	/nfs/dbraw/zinc/99/77/28/209997728.db2.gz	WETCPLLVKPYJCN-CYBMUJFWSA-N	-1	0	370.409	1.664	40	0		FDABRM
COC(=O)c1nn(-c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1[O-]	ZINC000001098281	219368743	/nfs/dbraw/zinc/36/87/43/219368743.db2.gz	UJPQMJQNHFRCBK-UHFFFAOYSA-N	-1	0	354.340	1.308	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc(OC)cc2)s1	ZINC000223362968	209757343	/nfs/dbraw/zinc/75/73/43/209757343.db2.gz	MMYRSPZSSKPZLK-SECBINFHSA-N	-1	0	370.456	1.935	40	0		FDABRM
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)[O-])cc1	ZINC000218098453	209662411	/nfs/dbraw/zinc/66/24/11/209662411.db2.gz	FQVVFNIRUDSZMG-NUJGCVRESA-N	-1	0	362.403	1.698	40	0		FDABRM
C[C@@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO)c1ccccc1	ZINC000217458269	209657597	/nfs/dbraw/zinc/65/75/97/209657597.db2.gz	FXIQASVKXXJSSF-GFCCVEGCSA-N	-1	0	364.423	1.829	40	0		FDABRM
C[C@H]1C(=O)[C@H](C)[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000101903382	209230121	/nfs/dbraw/zinc/23/01/21/209230121.db2.gz	LXIQMFKOABADKQ-ABNRYEQGSA-N	-1	0	357.362	1.411	40	0		FDABRM
CCC(=O)N1CCc2nc3cc(C4CCN(C(C)=O)CC4)[n-]n3c(=O)c2C1	ZINC000100242794	209212177	/nfs/dbraw/zinc/21/21/77/209212177.db2.gz	QGUNKLFODBSUFI-UHFFFAOYSA-N	-1	0	371.441	1.456	40	0		FDABRM
CC[C@](O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2	ZINC000001662471	206892390	/nfs/dbraw/zinc/89/23/90/206892390.db2.gz	SARNOWGPKQIWFT-HXUWFJFHSA-N	-1	0	366.373	1.600	40	0	in-vitro	FDABRM
CC1(C)S[C@H]2[C@H](NC(=O)c3c(F)cccc3F)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000006393381	207139044	/nfs/dbraw/zinc/13/90/44/207139044.db2.gz	NPJMCPOOMPMAMR-BREBYQMCSA-N	-1	0	356.350	1.210	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCCN3C(=O)Cc3nonc3C)cc2n1	ZINC000012161332	207343469	/nfs/dbraw/zinc/34/34/69/207343469.db2.gz	CKOWBOLQUIOHIA-OAHLLOKOSA-N	-1	0	370.413	1.985	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCCN3C(=O)Cc3nonc3C)cc2n1	ZINC000012161326	207343483	/nfs/dbraw/zinc/34/34/83/207343483.db2.gz	CKOWBOLQUIOHIA-HNNXBMFYSA-N	-1	0	370.413	1.985	40	0		FDABRM
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(C(=O)[O-])cc(=O)[nH]1	ZINC000049470186	208419916	/nfs/dbraw/zinc/41/99/16/208419916.db2.gz	YJSSYNIEOOYVOP-UHFFFAOYSA-N	-1	0	371.802	1.083	40	0		FDABRM
O=C([O-])[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)Cc1ccccn1	ZINC000548527769	542690885	/nfs/dbraw/zinc/69/08/85/542690885.db2.gz	CQCSRONFSDSIQZ-LLVKDONJSA-N	-1	0	364.379	1.032	40	0		FDABRM
Cc1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CCCC(=O)[O-])[C@@H]3C2=O)cc1	ZINC000004236393	132386576	/nfs/dbraw/zinc/38/65/76/132386576.db2.gz	IJSRSXCBUAUIDS-CJNGLKHVSA-N	-1	0	359.382	1.276	40	0	biogenic,in-vitro	FDABRM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1N1CCOCC1	ZINC000004535503	518303697	/nfs/dbraw/zinc/30/36/97/518303697.db2.gz	KFAZNOBXQANDNL-OGRXGRENSA-N	-1	0	368.389	1.533	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@@H]1CCCO1	ZINC000217532820	522252634	/nfs/dbraw/zinc/25/26/34/522252634.db2.gz	YFRFGPHQMIDODB-YPMHNXCESA-N	-1	0	372.443	1.289	40	0		FDABRM
COC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000217635923	522631094	/nfs/dbraw/zinc/63/10/94/522631094.db2.gz	HLBSKKFMRVRACK-RYUDHWBXSA-N	-1	0	372.443	1.289	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCSc2ccccc2)s1	ZINC000225863158	537562449	/nfs/dbraw/zinc/56/24/49/537562449.db2.gz	GUJNDYIDNIUUAI-UHFFFAOYSA-N	-1	0	372.497	1.957	40	0		FDABRM
O=C([O-])CCCN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000575423124	550462336	/nfs/dbraw/zinc/46/23/36/550462336.db2.gz	YGQNGJSCEMDBKC-ZDUSSCGKSA-N	-1	0	356.469	1.737	40	0		FDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3coc(C)n3)cc2NC1=O	ZINC000585281964	551578586	/nfs/dbraw/zinc/57/85/86/551578586.db2.gz	VRWYKCFTNOIIIJ-LBPRGKRZSA-N	-1	0	365.367	1.211	40	0		FDABRM
Cc1cc(Br)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1O	ZINC000408593015	570573588	/nfs/dbraw/zinc/57/35/88/570573588.db2.gz	NZTVBOBHSPYIPO-RUDMXATFSA-N	-1	0	355.144	1.440	40	0		FDABRM
COc1cccc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)c1	ZINC000328966270	571105358	/nfs/dbraw/zinc/10/53/58/571105358.db2.gz	CKRBJPLZJYLRFR-UHFFFAOYSA-N	-1	0	351.366	1.631	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@@H](Cc2ccnc3cccnc23)C1	ZINC000257270431	571156364	/nfs/dbraw/zinc/15/63/64/571156364.db2.gz	MUEVWAYEZWMULS-GOEBONIOSA-N	-1	0	371.437	1.883	40	0		FDABRM
CC(C)CC(=O)NCCn1cc(C(=O)[O-])c(=O)cc1[C@@H](O)c1ccccc1	ZINC000031160891	209844643	/nfs/dbraw/zinc/84/46/43/209844643.db2.gz	YTPQOAKWPUOEEC-IBGZPJMESA-N	-1	0	372.421	1.791	40	0	biogenic,in-vitro	FDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCOC	ZINC000217507940	209657021	/nfs/dbraw/zinc/65/70/21/209657021.db2.gz	SWMBJQUHUFQCAG-UHFFFAOYSA-N	-1	0	360.432	1.148	40	0		FDABRM
CC(C)(C)OC(=O)N=C(N)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000005706898	207113131	/nfs/dbraw/zinc/11/31/31/207113131.db2.gz	OQWAHTOOZRMPBJ-SNVBAGLBSA-N	-1	0	374.438	1.794	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@@H]3CCCN3C(=O)c3cnn4cccnc34)cc2n1	ZINC000012154049	207343663	/nfs/dbraw/zinc/34/36/63/207343663.db2.gz	KENRQBCAHDKYFG-AWEZNQCLSA-N	-1	0	363.381	1.763	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@H]3CCCCN3C(=O)c3ccc(=O)n(C)c3)cc2n1	ZINC000012161199	207343890	/nfs/dbraw/zinc/34/38/90/207343890.db2.gz	HFCAQPGJKDSZAE-OAHLLOKOSA-N	-1	0	367.409	1.809	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1OC	ZINC000036182856	208148255	/nfs/dbraw/zinc/14/82/55/208148255.db2.gz	OIAWDPOMCXIIDF-UHFFFAOYSA-N	-1	0	358.401	1.315	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000006392214	132258472	/nfs/dbraw/zinc/25/84/72/132258472.db2.gz	TXOXZPIGFGMWIT-QXSJWSMHSA-N	-1	0	364.829	1.867	40	0		FDABRM
COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(F)cc4)C(O)=C23)cc1	ZINC000003848809	518280031	/nfs/dbraw/zinc/28/00/31/518280031.db2.gz	VBGOURWEMQKEQW-WMLDXEAASA-N	-1	0	368.320	1.961	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccccc2Br)[C@H]2CC[C@@H]1O2	ZINC000003983676	518282822	/nfs/dbraw/zinc/28/28/22/518282822.db2.gz	HXAFKQFUZSHYEW-VOAKCMCISA-N	-1	0	354.200	1.944	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccccc3C(=O)N2C1	ZINC000008296911	518466971	/nfs/dbraw/zinc/46/69/71/518466971.db2.gz	FPONPRZKCOCGJH-FZMZJTMJSA-N	-1	0	373.409	1.229	40	0	biogenic,in-vitro	FDABRM
Cc1cc(C)nc(-n2[n-]c3[nH]c(COc4ccccc4)cc(=O)c3c2=O)n1	ZINC000009926402	518520119	/nfs/dbraw/zinc/52/01/19/518520119.db2.gz	YHBBQULRSJOYQE-UHFFFAOYSA-N	-1	0	363.377	1.993	40	0		FDABRM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000010151729	518529828	/nfs/dbraw/zinc/52/98/28/518529828.db2.gz	WMGBNUHUNCSNIF-HZPDHXFCSA-N	-1	0	372.421	1.727	40	0		FDABRM
CC(=O)N[C@@H](CSCC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000016320978	518749444	/nfs/dbraw/zinc/74/94/44/518749444.db2.gz	LBODOWCTTITMCE-NSHDSACASA-N	-1	0	360.229	1.954	40	0		FDABRM
CC(C)CNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000217629989	519749800	/nfs/dbraw/zinc/74/98/00/519749800.db2.gz	SXRPFQWWCYZXSY-GFCCVEGCSA-N	-1	0	356.444	1.910	40	0		FDABRM
O=C([O-])c1ccc(NCCO)c(S(=O)(=O)NCc2ccccc2)c1	ZINC000217472178	526378326	/nfs/dbraw/zinc/37/83/26/526378326.db2.gz	VLZDKAZXTNDSOP-UHFFFAOYSA-N	-1	0	350.396	1.268	40	0		FDABRM
C[C@@H](Nc1ccc(S(=O)(=O)NCCO)cc1C(=O)[O-])c1ccccc1	ZINC000217590166	537454670	/nfs/dbraw/zinc/45/46/70/537454670.db2.gz	YLFXERAHUVEIMH-GFCCVEGCSA-N	-1	0	364.423	1.829	40	0		FDABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000223297457	537522914	/nfs/dbraw/zinc/52/29/14/537522914.db2.gz	BKQGUMLPSFDTKH-UHFFFAOYSA-N	-1	0	350.396	1.750	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccccc2)s1	ZINC000225572456	537554163	/nfs/dbraw/zinc/55/41/63/537554163.db2.gz	DEYCLDYFIQFABW-SNVBAGLBSA-N	-1	0	370.456	1.632	40	0		FDABRM
COc1ccccc1CNc1cc(-c2cccnc2)nc(NCC(=O)[O-])n1	ZINC000329030343	537634009	/nfs/dbraw/zinc/63/40/09/537634009.db2.gz	QDBQUIVFCOWPPD-UHFFFAOYSA-N	-1	0	365.393	1.500	40	0		FDABRM
CCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588225199	551660218	/nfs/dbraw/zinc/66/02/18/551660218.db2.gz	ZIZJSVBYBFBGCU-KRWDZBQOSA-N	-1	0	364.430	1.093	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)CCC(=O)[O-])C=C1COC(=O)[C@@]12O	ZINC000514288277	560035340	/nfs/dbraw/zinc/03/53/40/560035340.db2.gz	AHQLBRAJSCUBQQ-SNTIZLKRSA-N	-1	0	366.410	1.824	40	0	biogenic,in-vitro	FDABRM
COc1cccc(CNc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)c1	ZINC000328998648	571106828	/nfs/dbraw/zinc/10/68/28/571106828.db2.gz	JUATZVOEORZYDF-UHFFFAOYSA-N	-1	0	365.393	1.500	40	0		FDABRM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)CCCn3cccn3)C[C@H]2O)cc1	ZINC000257273361	571156928	/nfs/dbraw/zinc/15/69/28/571156928.db2.gz	NGFNRXVIUSFDJE-HZPDHXFCSA-N	-1	0	359.382	1.012	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257233828	571321753	/nfs/dbraw/zinc/32/17/53/571321753.db2.gz	GQXIPTPPRCCDMP-LBPRGKRZSA-N	-1	0	361.423	1.666	40	0		FDABRM
CCOCC(=O)N(C)[C@@H]1CCC[C@H](Oc2cccc(C(=O)[O-])c2)[C@H]1O	ZINC000257343819	210005343	/nfs/dbraw/zinc/00/53/43/210005343.db2.gz	ZUNVMMGDDZZQOM-VYDXJSESSA-N	-1	0	351.399	1.541	40	0		FDABRM
C[C@H](NS(=O)(=O)c1ccc(Nc2cc(Cl)ncn2)cc1)C(=O)[O-]	ZINC000226105383	209848531	/nfs/dbraw/zinc/84/85/31/209848531.db2.gz	WYPBMBLXWMVYFW-QMMMGPOBSA-N	-1	0	356.791	1.625	40	0		FDABRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000225615204	209822145	/nfs/dbraw/zinc/82/21/45/209822145.db2.gz	HTHJKNVGKKESDD-UHFFFAOYSA-N	-1	0	370.412	1.474	40	0		FDABRM
O=C([O-])[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218500506	209667044	/nfs/dbraw/zinc/66/70/44/209667044.db2.gz	YIGHDHVYLNNDSZ-VYDXJSESSA-N	-1	0	350.367	1.829	40	0		FDABRM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000045866109	209327440	/nfs/dbraw/zinc/32/74/40/209327440.db2.gz	QJFFFPHNTNZABI-UHFFFAOYSA-N	-1	0	369.420	1.678	40	0		FDABRM
CC(C)NC(=O)N1CCC[C@]2(C(=O)[O-])CN(c3nncs3)C[C@@H]2C1	ZINC000107201702	209275663	/nfs/dbraw/zinc/27/56/63/209275663.db2.gz	CFPUJXJRQYVBCR-NHYWBVRUSA-N	-1	0	353.448	1.259	40	0		FDABRM
C[C@H]1C(=O)[C@H](C)[C@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@@H]12	ZINC000105368341	209266043	/nfs/dbraw/zinc/26/60/43/209266043.db2.gz	LXIQMFKOABADKQ-NCAILNEASA-N	-1	0	357.362	1.411	40	0		FDABRM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000101753446	209228659	/nfs/dbraw/zinc/22/86/59/209228659.db2.gz	MPMGYYYSXBITBB-WQYZEWQKSA-N	-1	0	353.374	1.826	40	0		FDABRM
Cc1nonc1CC(=O)N1CCC(c2cc3nc(C)c(C)c(=O)n3[n-]2)CC1	ZINC000100137320	209209569	/nfs/dbraw/zinc/20/95/69/209209569.db2.gz	FAPJMQAFUWJJPP-UHFFFAOYSA-N	-1	0	370.413	1.692	40	0		FDABRM
COc1ccc(CN2C=C(C(=O)[O-])C(C(F)(F)F)=NS2(=O)=O)cc1	ZINC000096516567	209155010	/nfs/dbraw/zinc/15/50/10/209155010.db2.gz	SYGABWLXIMQPLD-UHFFFAOYSA-N	-1	0	364.301	1.727	40	0		FDABRM
CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@H](C)n3cncn3)[n-]n2c1=O	ZINC000012276326	207352392	/nfs/dbraw/zinc/35/23/92/207352392.db2.gz	NPCQZENWSFRBRE-WFASDCNBSA-N	-1	0	369.429	1.822	40	0		FDABRM
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cn3cncn3)[n-]n2c1=O	ZINC000012276351	207353514	/nfs/dbraw/zinc/35/35/14/207353514.db2.gz	CNSRHGQIOVFCFV-CQSZACIVSA-N	-1	0	355.402	1.261	40	0		FDABRM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3c(C)noc3C)n2)c1	ZINC000041153727	208282647	/nfs/dbraw/zinc/28/26/47/208282647.db2.gz	MIMAOSDLWUSHEZ-UHFFFAOYSA-N	-1	0	364.383	1.829	40	0		FDABRM
O=C([O-])[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC000547554308	542372707	/nfs/dbraw/zinc/37/27/07/542372707.db2.gz	KSFZABDZNJNSIR-WFASDCNBSA-N	-1	0	365.411	1.030	40	0		FDABRM
CO[C@H]1CC[C@H](C(=O)N2CCc3nc(N4CCCCC4)[nH]c(=O)c3C2)CC1	ZINC000100751318	132233127	/nfs/dbraw/zinc/23/31/27/132233127.db2.gz	HXRHSLJLUNUJIR-GASCZTMLSA-N	-1	0	374.485	1.850	40	0		FDABRM
CC(C)c1ccc(N2C(=O)N[C@@H]3CCN(C(=O)CCC(=O)[O-])[C@@H]3C2=O)cc1	ZINC000004260716	132254753	/nfs/dbraw/zinc/25/47/53/132254753.db2.gz	SAAMNOITGULRAU-PBHICJAKSA-N	-1	0	373.409	1.701	40	0	biogenic,in-vitro	FDABRM
O=C([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1	ZINC000217501058	132272098	/nfs/dbraw/zinc/27/20/98/132272098.db2.gz	IKUIALJEYAOLFU-CQSZACIVSA-N	-1	0	368.455	1.832	40	0		FDABRM
CCCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)CC1	ZINC000072228528	132302946	/nfs/dbraw/zinc/30/29/46/132302946.db2.gz	GIDZCSOPMHOSRF-CQSZACIVSA-N	-1	0	359.426	1.573	40	0		FDABRM
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)[O-]	ZINC000001557190	518232903	/nfs/dbraw/zinc/23/29/03/518232903.db2.gz	ACGYJALXQWCTAS-NSHDSACASA-N	-1	0	363.819	1.111	40	0		FDABRM
Cc1ccn(CCC(=O)N2CCC(c3cc(=O)n4[n-]ccc4n3)CC2)n1	ZINC000257295599	534339625	/nfs/dbraw/zinc/33/96/25/534339625.db2.gz	QZCBLPANROADHG-UHFFFAOYSA-N	-1	0	354.414	1.736	40	0		FDABRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1[N+](=O)[O-]	ZINC000006407056	518371664	/nfs/dbraw/zinc/37/16/64/518371664.db2.gz	LVCXDNPYCZEXTN-KPKJPENVSA-N	-1	0	371.305	1.858	40	0		FDABRM
Cc1cc2c(cc1[N-]S(=O)(=O)c1cccs1)n(C)c(=O)c(=O)n2C	ZINC000006913857	518392018	/nfs/dbraw/zinc/39/20/18/518392018.db2.gz	VRXALUYSLJFQRH-UHFFFAOYSA-N	-1	0	365.436	1.408	40	0		FDABRM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3C(N)=O)ccc21	ZINC000007323351	518414138	/nfs/dbraw/zinc/41/41/38/518414138.db2.gz	DBEXGBLGHRVBPQ-UHFFFAOYSA-N	-1	0	373.434	1.885	40	0		FDABRM
COC(=O)CN1C(=O)C(=Cc2cc(Cl)c([O-])c(Cl)c2)NC1=S	ZINC000008091974	518453268	/nfs/dbraw/zinc/45/32/68/518453268.db2.gz	UWQYUPGCHULENE-WTKPLQERSA-N	-1	0	361.206	1.930	40	0		FDABRM
O=S(=O)([N-]c1ncccn1)c1ccc(I)cc1	ZINC000008764181	518486302	/nfs/dbraw/zinc/48/63/02/518486302.db2.gz	DPCOAILNZUGFGC-UHFFFAOYSA-N	-1	0	361.164	1.882	40	0		FDABRM
Cc1nn2c([n-]1)nc(C)c(CC(=O)NCCCc1ccc(F)cc1)c2=O	ZINC000012193270	518594353	/nfs/dbraw/zinc/59/43/53/518594353.db2.gz	SOQCLPIBCCZXQH-UHFFFAOYSA-N	-1	0	357.389	1.465	40	0		FDABRM
Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CCC(=O)[O-])CN3C)n2)cc1	ZINC000012529733	518618295	/nfs/dbraw/zinc/61/82/95/518618295.db2.gz	MUZDDPFMJUBKAF-KBPBESRZSA-N	-1	0	358.398	1.771	40	0	biogenic,in-vitro	FDABRM
COC(=O)Cc1cc(=O)c2c([n-]n(-c3nc4ccccc4s3)c2=O)[nH]1	ZINC000014607084	518694932	/nfs/dbraw/zinc/69/49/32/518694932.db2.gz	ALWIAOXNEGUANP-UHFFFAOYSA-N	-1	0	356.363	1.332	40	0		FDABRM
CCOC(=O)COc1ccc(Br)cc1/C=C1\NC(=O)[N-]C1=O	ZINC000016682834	518766607	/nfs/dbraw/zinc/76/66/07/518766607.db2.gz	CGWRJNHWOMMWBD-POHAHGRESA-N	-1	0	369.171	1.571	40	0		FDABRM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O)C(=O)[O-]	ZINC000016899686	518772198	/nfs/dbraw/zinc/77/21/98/518772198.db2.gz	JZIWFGRTZHUIMN-STQMWFEESA-N	-1	0	364.423	1.258	40	0		FDABRM
CC(C)CNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217554962	537456072	/nfs/dbraw/zinc/45/60/72/537456072.db2.gz	DJAXZMCXOYJYEZ-LBPRGKRZSA-N	-1	0	356.444	1.910	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)s1	ZINC000223515474	537529259	/nfs/dbraw/zinc/52/92/59/537529259.db2.gz	HWSFJOFXWBYLDE-UHFFFAOYSA-N	-1	0	356.429	1.162	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1	ZINC000223729540	537532893	/nfs/dbraw/zinc/53/28/93/537532893.db2.gz	WXTUBRPBDYGTSF-UHFFFAOYSA-N	-1	0	358.420	1.750	40	0		FDABRM
CO[C@@H](C)CS(=O)(=O)[N-]c1ncc(I)cc1C	ZINC000295345847	537712695	/nfs/dbraw/zinc/71/26/95/537712695.db2.gz	QGJYOZUUDGTJTO-QMMMGPOBSA-N	-1	0	370.212	1.771	40	0		FDABRM
COC[C@]1(CC(=O)N(C)C)CN(Cc2ccc(C(=O)[O-])cc2)CCO1	ZINC000585278569	551577825	/nfs/dbraw/zinc/57/78/25/551577825.db2.gz	UPKHZDIILUJALB-SFHVURJKSA-N	-1	0	350.415	1.081	40	0		FDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccc(OC)cc1	ZINC000217407002	568182097	/nfs/dbraw/zinc/18/20/97/568182097.db2.gz	QBSZYZIROSFZJF-UHFFFAOYSA-N	-1	0	364.423	1.956	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccncc2)n1	ZINC000328958433	571104679	/nfs/dbraw/zinc/10/46/79/571104679.db2.gz	AODFDVQZNQSNHA-UHFFFAOYSA-N	-1	0	371.347	1.769	40	0		FDABRM
O=C([O-])CNC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1	ZINC000256027833	571147944	/nfs/dbraw/zinc/14/79/44/571147944.db2.gz	FEPRFJXRLGIFRQ-MRXNPFEDSA-N	-1	0	355.346	1.720	40	0		FDABRM
CNc1nccnc1[C@@H]1CN(Cc2ccccc2OCC(=O)[O-])CCO1	ZINC000257204635	571149483	/nfs/dbraw/zinc/14/94/83/571149483.db2.gz	AVQAOWMONJHTRX-HNNXBMFYSA-N	-1	0	358.398	1.555	40	0		FDABRM
Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1	ZINC000257258380	571155111	/nfs/dbraw/zinc/15/51/11/571155111.db2.gz	KTPMVRGYZRKGCN-MRXNPFEDSA-N	-1	0	359.430	1.017	40	0		FDABRM
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1	ZINC000262437377	571343559	/nfs/dbraw/zinc/34/35/59/571343559.db2.gz	PFKRSESHBCDJMC-VIFPVBQESA-N	-1	0	368.333	1.508	40	0		FDABRM
CSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)s1	ZINC000225685001	209827809	/nfs/dbraw/zinc/82/78/09/209827809.db2.gz	WWBHIOBCQNFBJN-UHFFFAOYSA-N	-1	0	374.494	1.974	40	0		FDABRM
O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000103466466	209253378	/nfs/dbraw/zinc/25/33/78/209253378.db2.gz	GAIVQYTUYNNYQU-OKILXGFUSA-N	-1	0	357.410	1.794	40	0		FDABRM
O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1Cl	ZINC000544924382	541855236	/nfs/dbraw/zinc/85/52/36/541855236.db2.gz	AAELKQFAZUNQPB-UHFFFAOYSA-N	-1	0	374.846	1.765	40	0		FDABRM
CC(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(C)cc3)CCC[C@]2(C(=O)[O-])C1	ZINC000096064252	209106676	/nfs/dbraw/zinc/10/66/76/209106676.db2.gz	YYGDAAYBAJCPEG-PXNSSMCTSA-N	-1	0	358.438	1.709	40	0		FDABRM
CCOC(=O)C(=O)SC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005574311	207106970	/nfs/dbraw/zinc/10/69/70/207106970.db2.gz	UKXXBHVSRTZOMT-LLVKDONJSA-N	-1	0	355.368	1.189	40	0		FDABRM
O=C([O-])[C@@H](CCc1nc2ccccc2[nH]1)NS(=O)(=O)c1ccccc1	ZINC000006184623	207131686	/nfs/dbraw/zinc/13/16/86/207131686.db2.gz	MSVFCXYIAXSPDM-OAHLLOKOSA-N	-1	0	359.407	1.927	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1	ZINC000006741680	207160093	/nfs/dbraw/zinc/16/00/93/207160093.db2.gz	AGMFVBZHNYTSQB-FZCLSBEQSA-N	-1	0	358.413	1.993	40	0		FDABRM
COc1ccccc1CCCNC(=O)Cc1c(C)nc2[n-]c(C)nn2c1=O	ZINC000012192025	207346186	/nfs/dbraw/zinc/34/61/86/207346186.db2.gz	UWCIWIRSQOBFRS-UHFFFAOYSA-N	-1	0	369.425	1.335	40	0		FDABRM
Cc1nc2cc([C@H]3CCCN3C(=O)CN3CCCC3=O)[n-]n2c(=O)c1C	ZINC000012336984	207363953	/nfs/dbraw/zinc/36/39/53/207363953.db2.gz	AOIKSEUQRAHJKU-CQSZACIVSA-N	-1	0	357.414	1.338	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1sccc1C(=O)NC1CC1	ZINC000035897850	208136471	/nfs/dbraw/zinc/13/64/71/208136471.db2.gz	KZTOSAGJSYOPQE-KXNHARMFSA-N	-1	0	350.396	1.457	40	0		FDABRM
COC(=O)C(=Cc1cc(Br)ccc1OCC(=O)[O-])C(=O)OC	ZINC000409048101	263520917	/nfs/dbraw/zinc/52/09/17/263520917.db2.gz	RIKDYTQLJHJTHZ-UHFFFAOYSA-N	-1	0	373.155	1.642	40	0		FDABRM
Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000004044098	518285412	/nfs/dbraw/zinc/28/54/12/518285412.db2.gz	MPMGYYYSXBITBB-PBPUNXIFSA-N	-1	0	353.374	1.826	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)ccc1O	ZINC000005881820	518356264	/nfs/dbraw/zinc/35/62/64/518356264.db2.gz	FNODPKSKYNLQMS-UHFFFAOYSA-N	-1	0	362.319	1.350	40	0		FDABRM
[NH3+][C@H](CC(=O)[O-])c1cnc([N-]S(=O)(=O)c2cccc3ccccc32)nc1	ZINC000008701486	518482849	/nfs/dbraw/zinc/48/28/49/518482849.db2.gz	WZYOSSGDACHMLH-CQSZACIVSA-N	-1	0	372.406	1.905	40	0		FDABRM
COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCC(C(=O)[O-])CC2)C1=O	ZINC000009926556	518520192	/nfs/dbraw/zinc/52/01/92/518520192.db2.gz	INEYOJMSAVEMGI-CYBMUJFWSA-N	-1	0	366.801	1.777	40	0		FDABRM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000012661663	518626855	/nfs/dbraw/zinc/62/68/55/518626855.db2.gz	MPMGYYYSXBITBB-LOGJQHNTSA-N	-1	0	353.374	1.826	40	0		FDABRM
COc1cccc(Nc2nc(N)nc(CN3CCC(C(=O)[O-])CC3)n2)c1	ZINC000017073944	518775388	/nfs/dbraw/zinc/77/53/88/518775388.db2.gz	PREQIBMSZGTYKF-UHFFFAOYSA-N	-1	0	358.402	1.503	40	0		FDABRM
COC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@@H]2[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000020470381	518850458	/nfs/dbraw/zinc/85/04/58/518850458.db2.gz	WBQZTNXTTZOSLT-SSKCKEOISA-N	-1	0	358.350	1.948	40	0		FDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1	ZINC000217469847	523376868	/nfs/dbraw/zinc/37/68/68/523376868.db2.gz	UIFQHNKLDLWSGY-CYBMUJFWSA-N	-1	0	372.443	1.291	40	0		FDABRM
O=C([O-])c1ccc(NCCCO)c(S(=O)(=O)NCc2ccccc2)c1	ZINC000217472290	526378683	/nfs/dbraw/zinc/37/86/83/526378683.db2.gz	BQLZJKDYNMMQEG-UHFFFAOYSA-N	-1	0	364.423	1.658	40	0		FDABRM
C[C@H](Nc1ccc(S(=O)(=O)NCCO)cc1C(=O)[O-])c1ccccc1	ZINC000217590263	537455942	/nfs/dbraw/zinc/45/59/42/537455942.db2.gz	YLFXERAHUVEIMH-LBPRGKRZSA-N	-1	0	364.423	1.829	40	0		FDABRM
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1	ZINC000218111852	537459573	/nfs/dbraw/zinc/45/95/73/537459573.db2.gz	CBBVZULXJKEVAY-XYJFISCASA-N	-1	0	361.419	1.725	40	0		FDABRM
COc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c(OC)cc1Cl	ZINC000225635028	537555319	/nfs/dbraw/zinc/55/53/19/537555319.db2.gz	LHMHDOPIYYXELT-PJQZNRQZSA-N	-1	0	353.758	1.950	40	0		FDABRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1	ZINC000563423240	546529183	/nfs/dbraw/zinc/52/91/83/546529183.db2.gz	LYDOHDRRBBSTNF-CQSZACIVSA-N	-1	0	371.437	1.882	40	0		FDABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1O	ZINC000408597368	570577167	/nfs/dbraw/zinc/57/71/67/570577167.db2.gz	VCVYNJWYJIKMQR-FPYGCLRLSA-N	-1	0	371.143	1.141	40	0		FDABRM
COc1ccccc1CNc1cc(-c2ccccn2)nc(NCC(=O)[O-])n1	ZINC000329063362	571109393	/nfs/dbraw/zinc/10/93/93/571109393.db2.gz	XDGUFDHOHLZBDP-UHFFFAOYSA-N	-1	0	365.393	1.500	40	0		FDABRM
O=C([O-])c1ccccc1-n1cc(CN2CCO[C@H](c3cc[nH]n3)C2)cn1	ZINC000257221614	571151620	/nfs/dbraw/zinc/15/16/20/571151620.db2.gz	DPVRUQZSHBBHEG-KRWDZBQOSA-N	-1	0	353.382	1.867	40	0		FDABRM
CNC(=O)[C@H]1CN(C)CCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000257236707	571153126	/nfs/dbraw/zinc/15/31/26/571153126.db2.gz	HDIFKTTUJYQECY-MRXNPFEDSA-N	-1	0	357.410	1.507	40	0		FDABRM
COc1ccc(CCNc2ccc(C(=O)[O-])cc2S(N)(=O)=O)cc1	ZINC000217404117	209657083	/nfs/dbraw/zinc/65/70/83/209657083.db2.gz	ZORDSLRAFGRGKF-UHFFFAOYSA-N	-1	0	350.396	1.695	40	0		FDABRM
O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101683903	209229432	/nfs/dbraw/zinc/22/94/32/209229432.db2.gz	HXGCVOPEKUHPEP-OKILXGFUSA-N	-1	0	361.442	1.519	40	0		FDABRM
CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000000999460	206854028	/nfs/dbraw/zinc/85/40/28/206854028.db2.gz	ZCQOKTUHTJWITP-PSJXJDHFSA-N	-1	0	352.412	1.934	40	0		FDABRM
COc1cc(OC)c(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1Cl	ZINC000003882451	206992787	/nfs/dbraw/zinc/99/27/87/206992787.db2.gz	AFQKCAKHRSIRMH-JAMKOXHTSA-N	-1	0	365.769	1.728	40	0		FDABRM
Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(=O)n(C)c1=O	ZINC000005055893	207076598	/nfs/dbraw/zinc/07/65/98/207076598.db2.gz	BEYFDFMSWDJDCD-UHFFFAOYSA-N	-1	0	364.210	1.192	40	0		FDABRM
CCc1c(C)nc2cc([C@H]3CCCN3C(=O)CN3CCCC3=O)[n-]n2c1=O	ZINC000012276345	207354357	/nfs/dbraw/zinc/35/43/57/207354357.db2.gz	PIUQFPLKLARKCC-OAHLLOKOSA-N	-1	0	371.441	1.592	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)[C@H]2C=C[C@@H]1O2	ZINC000035898169	208136594	/nfs/dbraw/zinc/13/65/94/208136594.db2.gz	IPAVQMVJBOUHJL-VRKREXBASA-N	-1	0	357.341	1.663	40	0		FDABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000036182975	208149556	/nfs/dbraw/zinc/14/95/56/208149556.db2.gz	FLZRKZQWVUKTHA-UHFFFAOYSA-N	-1	0	370.412	1.474	40	0		FDABRM
CC(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000217520587	132272033	/nfs/dbraw/zinc/27/20/33/132272033.db2.gz	ZEQZWWNYKMLSCC-UHFFFAOYSA-N	-1	0	356.444	1.546	40	0		FDABRM
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCC(=O)[O-]	ZINC000257254993	132295850	/nfs/dbraw/zinc/29/58/50/132295850.db2.gz	KFRDJKIAIKWGRP-IBGZPJMESA-N	-1	0	372.425	1.284	40	0		FDABRM
C=CCOc1c(Br)cc(CN=Nc2nnn[n-]2)cc1OC	ZINC000005743737	518354052	/nfs/dbraw/zinc/35/40/52/518354052.db2.gz	GTMLHWBRMDCZRG-UHFFFAOYSA-N	-1	0	353.180	1.982	40	0		FDABRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000006971037	518396944	/nfs/dbraw/zinc/39/69/44/518396944.db2.gz	CGIVBHQILKPRDS-GXDHUFHOSA-N	-1	0	368.349	1.178	40	0		FDABRM
Cc1cc2nc([C@H](C)NS(=O)(=O)c3cccc(F)c3)cc(=O)n2[n-]1	ZINC000019129799	518802809	/nfs/dbraw/zinc/80/28/09/518802809.db2.gz	GLHCONSJMWCLLD-JTQLQIEISA-N	-1	0	350.375	1.922	40	0		FDABRM
COCCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217626952	523964816	/nfs/dbraw/zinc/96/48/16/523964816.db2.gz	MHCVSHAZZKSFBM-UHFFFAOYSA-N	-1	0	354.384	1.515	40	0		FDABRM
O=C([O-])CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)[nH]c1=O	ZINC000223447850	537526387	/nfs/dbraw/zinc/52/63/87/537526387.db2.gz	RRGYBCCDRPAYLW-UHFFFAOYSA-N	-1	0	357.775	1.241	40	0		FDABRM
COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408548160	537848586	/nfs/dbraw/zinc/84/85/86/537848586.db2.gz	DNFOKCGSSGIWJW-NTEUORMPSA-N	-1	0	369.333	1.241	40	0		FDABRM
O=C(NC[C@@H]1CO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@H]12)c1ccccc1	ZINC000575402464	550460226	/nfs/dbraw/zinc/46/02/26/550460226.db2.gz	APOIJBMRFUUHJR-BHIYHBOVSA-N	-1	0	366.417	1.909	40	0		FDABRM
O=C([O-])CCCN(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575423119	550462339	/nfs/dbraw/zinc/46/23/39/550462339.db2.gz	YGQNGJSCEMDBKC-CYBMUJFWSA-N	-1	0	356.469	1.737	40	0		FDABRM
CNC(=O)[C@H]1CCCN1C(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634872769	558538583	/nfs/dbraw/zinc/53/85/83/558538583.db2.gz	VOLYCUGFNKAJTI-CXAGYDPISA-N	-1	0	352.818	1.809	40	0		FDABRM
C[C@@H]1CN(C(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)C[C@]2(CCOC2)O1	ZINC000634919782	558543006	/nfs/dbraw/zinc/54/30/06/558543006.db2.gz	VBKPDBPZNUCXHK-ZNOIYHFQSA-N	-1	0	365.401	1.965	40	0		FDABRM
CN1C(=O)N/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409195801	570738555	/nfs/dbraw/zinc/73/85/55/570738555.db2.gz	WAPMWBLAGXCDBP-WEVVVXLNSA-N	-1	0	355.144	1.435	40	0		FDABRM
O=C([O-])CNc1nc(Nc2cc(F)ccc2F)cc(-c2ccncc2)n1	ZINC000329010123	571107138	/nfs/dbraw/zinc/10/71/38/571107138.db2.gz	LZJMMEKOCMDSHP-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
CS(=O)(=O)N1CCC[C@H](c2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257296927	571159019	/nfs/dbraw/zinc/15/90/19/571159019.db2.gz	RFAXCEFVELQVRZ-LBPRGKRZSA-N	-1	0	361.423	1.981	40	0		FDABRM
Cc1cc(S(=O)(=O)N2CCC[C@@H](CC(N)=O)CC2)ccc1C(=O)[O-]	ZINC000671648013	571196223	/nfs/dbraw/zinc/19/62/23/571196223.db2.gz	WCQMHDUXABVIJE-GFCCVEGCSA-N	-1	0	354.428	1.359	40	0		FDABRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(Cl)cc1OC	ZINC000643972319	975323904	/nfs/dbraw/zinc/32/39/04/975323904.db2.gz	OKAVTSOMRFDUPU-AWEZNQCLSA-N	-1	0	363.819	1.603	40	0		FDABRM
CCn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)c(C)n1	ZINC000257343614	210005036	/nfs/dbraw/zinc/00/50/36/210005036.db2.gz	ZTSGASGGMOAKCZ-HZPDHXFCSA-N	-1	0	359.382	1.174	40	0		FDABRM
COCC(=O)N1CCC[C@@H]1c1nc(C)cc(-c2cncc(C(=O)[O-])c2)n1	ZINC000257287087	209988302	/nfs/dbraw/zinc/98/83/02/209988302.db2.gz	POLRKMPKODXDRO-OAHLLOKOSA-N	-1	0	356.382	1.855	40	0		FDABRM
C[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)n1nnc2ccccc2c1=O	ZINC000101899600	209230727	/nfs/dbraw/zinc/23/07/27/209230727.db2.gz	ATCDLPFBFFTSRV-RWMBFGLXSA-N	-1	0	358.398	1.360	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCN(C(=O)c4cnccn4)C3)cc2n1	ZINC000100138068	209209008	/nfs/dbraw/zinc/20/90/08/209209008.db2.gz	ADXUIFPIRLMXSS-GFCCVEGCSA-N	-1	0	352.398	1.807	40	0		FDABRM
COc1ccc([C@H]2c3cc4c(cc3O[C@@](O)(CO)[C@@H]2C(=O)[O-])OCO4)cc1	ZINC000005809686	207117162	/nfs/dbraw/zinc/11/71/62/207117162.db2.gz	RQIGESLKGRMDPM-LNLFQRSKSA-N	-1	0	374.345	1.330	40	0		FDABRM
COc1ccc([C@@H]2c3cc4c(cc3O[C@](O)(CO)[C@@H]2C(=O)[O-])OCO4)cc1	ZINC000005809679	207118061	/nfs/dbraw/zinc/11/80/61/207118061.db2.gz	RQIGESLKGRMDPM-ZIFCJYIRSA-N	-1	0	374.345	1.330	40	0		FDABRM
COc1cc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1Cl	ZINC000006730183	207158837	/nfs/dbraw/zinc/15/88/37/207158837.db2.gz	POZZNRSKEPZBQL-QOBDMFJFSA-N	-1	0	353.758	1.950	40	0		FDABRM
COc1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1	ZINC000012117088	207339003	/nfs/dbraw/zinc/33/90/03/207339003.db2.gz	NCCNJANMDAJGNR-UHFFFAOYSA-N	-1	0	350.352	1.533	40	0		FDABRM
CCn1nc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C	ZINC000012117083	207339978	/nfs/dbraw/zinc/33/99/78/207339978.db2.gz	FZEPKVWIWJCTOM-SNVBAGLBSA-N	-1	0	350.400	1.732	40	0		FDABRM
O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2CC1)c1ccc(Br)o1	ZINC000035828046	208136929	/nfs/dbraw/zinc/13/69/29/208136929.db2.gz	HKXUFIBIJXJSNP-ZTCHHREXSA-N	-1	0	365.183	1.884	40	0		FDABRM
CCn1ncc(CN2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)c1C	ZINC000036610951	208166295	/nfs/dbraw/zinc/16/62/95/208166295.db2.gz	XPLZUXSFYCOSQE-ATLSCFEFSA-N	-1	0	372.469	1.379	40	0		FDABRM
O=C([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NCc2ccco2)c1	ZINC000217495234	132272063	/nfs/dbraw/zinc/27/20/63/132272063.db2.gz	SIDDLBKSVNCQQC-UHFFFAOYSA-N	-1	0	366.395	1.293	40	0		FDABRM
CN(C[C@]1(O)CCCN(c2nccn3cccc23)C1)C(=O)CCCC(=O)[O-]	ZINC000257209144	132294658	/nfs/dbraw/zinc/29/46/58/132294658.db2.gz	BPEUOPJAGZLMOC-LJQANCHMSA-N	-1	0	374.441	1.379	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)[C@H]2CC[C@@H]1O2	ZINC000016400245	132881563	/nfs/dbraw/zinc/88/15/63/132881563.db2.gz	PJKAOVHQCWZPOZ-FXUDXRNXSA-N	-1	0	364.829	1.867	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)[C@H]2CC[C@@H]1O2	ZINC000004749121	518311458	/nfs/dbraw/zinc/31/14/58/518311458.db2.gz	PJKAOVHQCWZPOZ-UGUYLWEFSA-N	-1	0	364.829	1.867	40	0		FDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)c1	ZINC000011635231	518566930	/nfs/dbraw/zinc/56/69/30/518566930.db2.gz	GPSSAUGZBWJKDH-UHFFFAOYSA-N	-1	0	363.395	1.983	40	0		FDABRM
C[C@@H](O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000071614569	522118612	/nfs/dbraw/zinc/11/86/12/522118612.db2.gz	CCMCYVCBDITGSI-MRVWCRGKSA-N	-1	0	366.414	1.073	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217532637	522252897	/nfs/dbraw/zinc/25/28/97/522252897.db2.gz	AXFZPHBFMADBJR-LLVKDONJSA-N	-1	0	368.411	1.903	40	0		FDABRM
COC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000217636018	522255721	/nfs/dbraw/zinc/25/57/21/522255721.db2.gz	HLBSKKFMRVRACK-VXGBXAGGSA-N	-1	0	372.443	1.289	40	0		FDABRM
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217495977	522255976	/nfs/dbraw/zinc/25/59/76/522255976.db2.gz	YCXGVBZPBRQTNW-LLVKDONJSA-N	-1	0	368.411	1.903	40	0		FDABRM
O=C([O-])c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1	ZINC000049468394	522844645	/nfs/dbraw/zinc/84/46/45/522844645.db2.gz	SARDANCNHFAUIS-UHFFFAOYSA-N	-1	0	361.423	1.745	40	0		FDABRM
CCOC(=O)Nc1ccccc1[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000217360376	537454002	/nfs/dbraw/zinc/45/40/02/537454002.db2.gz	OQDXIRSHIGFUBO-SNVBAGLBSA-N	-1	0	362.429	1.184	40	0		FDABRM
C[C@@H](NS(=O)(=O)c1ccc(NCCO)c(C(=O)[O-])c1)c1ccccc1	ZINC000217609442	537456088	/nfs/dbraw/zinc/45/60/88/537456088.db2.gz	CJDMIIIHHMZFLU-GFCCVEGCSA-N	-1	0	364.423	1.829	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCO)ccc1NCCc1ccccc1	ZINC000217590373	537456154	/nfs/dbraw/zinc/45/61/54/537456154.db2.gz	XXWSJSNUDGVCHE-UHFFFAOYSA-N	-1	0	364.423	1.310	40	0		FDABRM
Cc1csc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)n1	ZINC000223309064	537522392	/nfs/dbraw/zinc/52/23/92/537522392.db2.gz	UKSGTWUVSKIVFJ-UHFFFAOYSA-N	-1	0	355.441	1.719	40	0		FDABRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1	ZINC000223305029	537522764	/nfs/dbraw/zinc/52/27/64/537522764.db2.gz	IIKRKONEBUIVSD-UHFFFAOYSA-N	-1	0	364.423	1.963	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2cccc(C)c2C)s1	ZINC000223970379	537537859	/nfs/dbraw/zinc/53/78/59/537537859.db2.gz	XZCVXVCOHAQCKY-UHFFFAOYSA-N	-1	0	370.456	1.471	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)s1	ZINC000224409170	537540353	/nfs/dbraw/zinc/54/03/53/537540353.db2.gz	DIUJTNLWVBZDCB-SNVBAGLBSA-N	-1	0	354.457	1.796	40	0		FDABRM
O=C([O-])c1cnc(C2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]c1=O	ZINC000224968336	537541333	/nfs/dbraw/zinc/54/13/33/537541333.db2.gz	WLQUJHBDGNYRPP-UHFFFAOYSA-N	-1	0	363.395	1.036	40	0		FDABRM
Cc1cncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000585274230	551577028	/nfs/dbraw/zinc/57/70/28/551577028.db2.gz	XTHQJFCRFLLHHO-UHFFFAOYSA-N	-1	0	363.420	1.422	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1	ZINC000514289010	560033443	/nfs/dbraw/zinc/03/34/43/560033443.db2.gz	MBGLUVJEDRDBQG-QWRGUYRKSA-N	-1	0	369.418	1.617	40	0	biogenic,in-vitro	FDABRM
O=C([O-])c1ccc(N2CCCC2)c(S(=O)(=O)NC[C@H]2CCCO2)c1	ZINC000217500848	568188237	/nfs/dbraw/zinc/18/82/37/568188237.db2.gz	LFDVDKLZDJJALM-CYBMUJFWSA-N	-1	0	354.428	1.442	40	0		FDABRM
CN(C)C(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCN1C	ZINC000257211733	571150555	/nfs/dbraw/zinc/15/05/55/571150555.db2.gz	CAEOLTSLAHZWSH-KRWDZBQOSA-N	-1	0	371.437	1.849	40	0		FDABRM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCCN2CC(=O)N(C)C)n1	ZINC000257273058	571156923	/nfs/dbraw/zinc/15/69/23/571156923.db2.gz	NFBRJDHNAVAFFR-ZDUSSCGKSA-N	-1	0	361.475	1.995	40	0		FDABRM
Cc1cccc(C(=O)[O-])c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000217723278	222673137	/nfs/dbraw/zinc/67/31/37/222673137.db2.gz	SKXODGIGRBZPHC-UHFFFAOYSA-N	-1	0	364.379	1.358	40	0		FDABRM
COc1ccccc1Nc1cc(-c2cccnc2)nc(NCC(=O)[O-])n1	ZINC000328990317	210129843	/nfs/dbraw/zinc/12/98/43/210129843.db2.gz	INBBIDLRWAAHLM-UHFFFAOYSA-N	-1	0	351.366	1.631	40	0		FDABRM
COCC(=O)N1CCC[C@@H](c2cc(-c3cncc(C(=O)[O-])c3)nc(C)n2)C1	ZINC000257292342	223052484	/nfs/dbraw/zinc/05/24/84/223052484.db2.gz	QLBDHMLGYIFTOG-CYBMUJFWSA-N	-1	0	370.409	1.898	40	0		FDABRM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000013323613	220063332	/nfs/dbraw/zinc/06/33/32/220063332.db2.gz	JJZSZXFHCWNAEX-OWCLPIDISA-N	-1	0	364.442	1.283	40	0		FDABRM
C[C@H](C(=O)[O-])n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O	ZINC000040391464	211742524	/nfs/dbraw/zinc/74/25/24/211742524.db2.gz	WLZDGAVGALLLNG-SECBINFHSA-N	-1	0	353.313	1.891	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)s1	ZINC000036182870	211656158	/nfs/dbraw/zinc/65/61/58/211656158.db2.gz	CUDGALOWYRHYES-UHFFFAOYSA-N	-1	0	355.401	1.256	40	0		FDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)NC[C@@H]2COc3ccccc3O2)cc1	ZINC000005929547	210648223	/nfs/dbraw/zinc/64/82/23/210648223.db2.gz	SFPAQMHRRBYCEQ-CYBMUJFWSA-N	-1	0	362.407	1.823	40	0		FDABRM
Cc1cccc(N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)[O-])CC2)c1C	ZINC000003906498	132386008	/nfs/dbraw/zinc/38/60/08/132386008.db2.gz	IGDJUVKHKVQMQL-XDNAFOTISA-N	-1	0	356.422	1.606	40	0		FDABRM
Cc1ccc(CN2CCN(C(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3O4)CC2)cc1	ZINC000102609447	222301258	/nfs/dbraw/zinc/30/12/58/222301258.db2.gz	PNCDCWBGQYHWQO-MHORFTMASA-N	-1	0	356.422	1.293	40	0		FDABRM
O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1nccs1	ZINC000005154723	518332961	/nfs/dbraw/zinc/33/29/61/518332961.db2.gz	WKRBKGHIANSKCS-UHFFFAOYSA-N	-1	0	359.436	1.943	40	0		FDABRM
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)cc(C(=O)[O-])n1c32	ZINC000005394083	518342208	/nfs/dbraw/zinc/34/22/08/518342208.db2.gz	KOXGRRHCYGGBTG-JTQLQIEISA-N	-1	0	361.373	1.544	40	0		FDABRM
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1	ZINC000005526422	518347822	/nfs/dbraw/zinc/34/78/22/518347822.db2.gz	JEOLWQPVXWMWMG-MMDVMMEASA-N	-1	0	373.361	1.721	40	0		FDABRM
CCN1C(=O)N/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000006951376	518394471	/nfs/dbraw/zinc/39/44/71/518394471.db2.gz	PCVCREWZKMGDDS-UXBLZVDNSA-N	-1	0	369.171	1.825	40	0		FDABRM
CC1=C(C)C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C(=O)[O-])C1	ZINC000035898210	519613518	/nfs/dbraw/zinc/61/35/18/519613518.db2.gz	JJZSZXFHCWNAEX-OAGGEKHMSA-N	-1	0	364.442	1.283	40	0		FDABRM
CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])s1	ZINC000035898003	519614071	/nfs/dbraw/zinc/61/40/71/519614071.db2.gz	VDHKLNURAYLARL-QCZKYFFMSA-N	-1	0	352.412	1.787	40	0		FDABRM
CCOc1ccc(N(Cc2noc(CCC(=O)[O-])n2)S(C)(=O)=O)cc1	ZINC000078400924	521029852	/nfs/dbraw/zinc/02/98/52/521029852.db2.gz	GYKGWXXWAKTRKH-UHFFFAOYSA-N	-1	0	369.399	1.452	40	0		FDABRM
C[C@@H](C(=O)[O-])N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2	ZINC000072326483	522216076	/nfs/dbraw/zinc/21/60/76/522216076.db2.gz	ZLVHYSNXCHQSOG-XXFAHNHDSA-N	-1	0	351.790	1.677	40	0		FDABRM
O=C([O-])c1ccc[n+](CC[C@H](NC(=O)/C=C/c2ccc(O)cc2)C(=O)[O-])c1	ZINC000077257587	523280121	/nfs/dbraw/zinc/28/01/21/523280121.db2.gz	MAGGNDAVKNPXCA-INIZCTEOSA-O	-1	0	371.369	1.051	40	0	biogenic,in-vitro	FDABRM
COCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000217472416	523962824	/nfs/dbraw/zinc/96/28/24/523962824.db2.gz	WVXNGTVQYFVCCG-UHFFFAOYSA-N	-1	0	364.423	1.922	40	0		FDABRM
COc1cccc(N(Cc2noc(CCC(=O)[O-])n2)S(C)(=O)=O)c1	ZINC000078400921	526136640	/nfs/dbraw/zinc/13/66/40/526136640.db2.gz	ZJMITEQPQVZDJY-UHFFFAOYSA-N	-1	0	355.372	1.062	40	0		FDABRM
CC(C)OCCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000223092678	537517349	/nfs/dbraw/zinc/51/73/49/537517349.db2.gz	OVSGYQOUFNAVAH-UHFFFAOYSA-N	-1	0	364.493	1.616	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccccc2C)s1	ZINC000225860640	537562085	/nfs/dbraw/zinc/56/20/85/537562085.db2.gz	BFVSPXJBAFYJTF-SNVBAGLBSA-N	-1	0	370.456	1.551	40	0		FDABRM
C[C@H](Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO)c1ccccc1	ZINC000217458351	568185134	/nfs/dbraw/zinc/18/51/34/568185134.db2.gz	FXIQASVKXXJSSF-LBPRGKRZSA-N	-1	0	364.423	1.829	40	0		FDABRM
CCN1C(=O)C(=Cc2cc(Cl)c(OCC(=O)[O-])c(OC)c2)NC1=S	ZINC000409007436	570711817	/nfs/dbraw/zinc/71/18/17/570711817.db2.gz	QAQKZUYJULKFBZ-YHYXMXQVSA-N	-1	0	370.814	1.890	40	0		FDABRM
CCC[C@H](NS(=O)(=O)c1ccc(OC)cc1Br)C(=O)[O-]	ZINC000262493582	571344452	/nfs/dbraw/zinc/34/44/52/571344452.db2.gz	VQABCNFHXIUFER-JTQLQIEISA-N	-1	0	366.233	1.989	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)s1	ZINC000224789317	222820628	/nfs/dbraw/zinc/82/06/28/222820628.db2.gz	DYOATGDBPKDWHN-UHFFFAOYSA-N	-1	0	369.428	1.646	40	0		FDABRM
O=C([O-])c1cccc(O[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O)c1	ZINC000257224383	223028436	/nfs/dbraw/zinc/02/84/36/223028436.db2.gz	FBOZBTJRDDBLGE-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
Cc1cncc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)c1	ZINC000257232407	223030609	/nfs/dbraw/zinc/03/06/09/223030609.db2.gz	GKSXFUGFEOYOLF-IAGOWNOFSA-N	-1	0	356.378	1.281	40	0		FDABRM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)[O-]	ZINC000016899614	211170703	/nfs/dbraw/zinc/17/07/03/211170703.db2.gz	CSFKFVCTXAETKD-KBPBESRZSA-N	-1	0	364.423	1.258	40	0		FDABRM
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1OC	ZINC000013027072	211021336	/nfs/dbraw/zinc/02/13/36/211021336.db2.gz	DXHDWCRMCVSABA-AWEZNQCLSA-N	-1	0	365.407	1.678	40	0		FDABRM
CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257296926	533386761	/nfs/dbraw/zinc/38/67/61/533386761.db2.gz	RFAXCEFVELQVRZ-GFCCVEGCSA-N	-1	0	361.423	1.981	40	0		FDABRM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)Cc1ccsc1)CC2	ZINC000096157055	222058056	/nfs/dbraw/zinc/05/80/56/222058056.db2.gz	JNQBHZWCSVXSNW-AWEZNQCLSA-N	-1	0	350.440	1.605	40	0		FDABRM
Cc1cc(N2CC[C@](O)(CNC(=O)CCCC(=O)[O-])C2)c2cnccc2n1	ZINC000257328355	533912287	/nfs/dbraw/zinc/91/22/87/533912287.db2.gz	XFGSEOBMIDXMKW-IBGZPJMESA-N	-1	0	372.425	1.251	40	0		FDABRM
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000002571694	518244490	/nfs/dbraw/zinc/24/44/90/518244490.db2.gz	VPHJPSWLQFLNSJ-HNNXBMFYSA-N	-1	0	364.354	1.350	40	0		FDABRM
CCOc1ccc(NC(=O)C(=O)C2=S([O-])c3ccccc3NC2=O)cc1	ZINC000005834537	518355471	/nfs/dbraw/zinc/35/54/71/518355471.db2.gz	WSIBVDIYOZHPHF-QMTYFTJSSA-N	-1	0	372.402	1.721	40	0		FDABRM
Cn1cnnc1SCc1cc(=O)c2c(=O)n(-c3ccc(F)cc3)[n-]c2[nH]1	ZINC000008020935	518450342	/nfs/dbraw/zinc/45/03/42/518450342.db2.gz	KYLOKDXADYTSER-UHFFFAOYSA-N	-1	0	372.385	1.567	40	0		FDABRM
Cn1ncc2c1CCc1sc(NC(=O)C[C@@H]3SC(=O)[N-]C3=O)nc1-2	ZINC000012327413	518603539	/nfs/dbraw/zinc/60/35/39/518603539.db2.gz	VWEAMALDFMCPBH-VIFPVBQESA-N	-1	0	363.424	1.322	40	0		FDABRM
COc1cc(-c2nc(N)cc(SCC(=O)[O-])n2)cc(OC)c1OC	ZINC000049470074	522844183	/nfs/dbraw/zinc/84/41/83/522844183.db2.gz	XNCGWPOPQKOGJZ-UHFFFAOYSA-N	-1	0	351.384	1.928	40	0		FDABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCS(=O)(=O)C1	ZINC000217422404	527648323	/nfs/dbraw/zinc/64/83/23/527648323.db2.gz	OOLVASFBVSRBNH-XHDPSFHLSA-N	-1	0	364.423	1.105	40	0		FDABRM
O=C([O-])c1cnc(C(=O)NCc2ccnc(N3CCCCCC3)c2)cn1	ZINC000263465061	537035355	/nfs/dbraw/zinc/03/53/55/537035355.db2.gz	WMFUJVYLIWXSGF-UHFFFAOYSA-N	-1	0	355.398	1.880	40	0		FDABRM
Nc1nc2c(ncn2[C@H]2C=C[C@H](CCS(=O)(=O)[O-])C2)c(NC2CC2)n1	ZINC000207635547	537431835	/nfs/dbraw/zinc/43/18/35/537431835.db2.gz	PWDJVZCMMSQJKM-KOLCDFICSA-N	-1	0	364.431	1.378	40	0		FDABRM
O=C([O-])[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218500747	537463039	/nfs/dbraw/zinc/46/30/39/537463039.db2.gz	YIGHDHVYLNNDSZ-YQQAZPJKSA-N	-1	0	350.367	1.829	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCc2ccc(OC)cc2)s1	ZINC000223134312	537518829	/nfs/dbraw/zinc/51/88/29/537518829.db2.gz	WCAOVZJUWDOBGP-UHFFFAOYSA-N	-1	0	370.456	1.416	40	0		FDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000224161334	537540877	/nfs/dbraw/zinc/54/08/77/537540877.db2.gz	YQLQKYPDJGEJQZ-IVZWLZJFSA-N	-1	0	358.489	1.990	40	0		FDABRM
COc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000224360172	537541087	/nfs/dbraw/zinc/54/10/87/537541087.db2.gz	BEMGYBQPYIJPCS-UHFFFAOYSA-N	-1	0	356.429	1.942	40	0		FDABRM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C	ZINC000225022976	537542752	/nfs/dbraw/zinc/54/27/52/537542752.db2.gz	ZPQNGWRCFOZNAB-UHFFFAOYSA-N	-1	0	367.427	1.859	40	0		FDABRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cc(F)ccc1F	ZINC000585272086	551576337	/nfs/dbraw/zinc/57/63/37/551576337.db2.gz	LDHKTVJVNPKBLZ-UHFFFAOYSA-N	-1	0	368.317	1.414	40	0		FDABRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1F	ZINC000585270853	551576516	/nfs/dbraw/zinc/57/65/16/551576516.db2.gz	DGOCXKWORIFBIU-UHFFFAOYSA-N	-1	0	350.327	1.275	40	0		FDABRM
CCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588225200	551660153	/nfs/dbraw/zinc/66/01/53/551660153.db2.gz	ZIZJSVBYBFBGCU-QGZVFWFLSA-N	-1	0	364.430	1.093	40	0		FDABRM
COCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCOCC3)cc21	ZINC000602992905	553687789	/nfs/dbraw/zinc/68/77/89/553687789.db2.gz	WENLGZZVPZULDS-UHFFFAOYSA-N	-1	0	364.373	1.712	40	0		FDABRM
Cc1nc(COc2c(F)c(F)c(F)c(F)c2F)[nH]c(=O)c1CC(=O)[O-]	ZINC000217393654	568181481	/nfs/dbraw/zinc/18/14/81/568181481.db2.gz	JPPHQTXSZVXMQB-UHFFFAOYSA-N	-1	0	364.226	1.980	40	0		FDABRM
CC(C)CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1	ZINC000217496721	568188058	/nfs/dbraw/zinc/18/80/58/568188058.db2.gz	DUINZXKAQATRPL-ZDUSSCGKSA-N	-1	0	356.444	1.910	40	0		FDABRM
CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C[C@H]1C(N)=O	ZINC000257204167	571149466	/nfs/dbraw/zinc/14/94/66/571149466.db2.gz	ATICQVPHRXMSRB-INIZCTEOSA-N	-1	0	371.393	1.163	40	0		FDABRM
O=C([O-])[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1	ZINC000242575068	571167907	/nfs/dbraw/zinc/16/79/07/571167907.db2.gz	NQRJUERJIVZLHG-BFYDXBDKSA-N	-1	0	350.367	1.829	40	0		FDABRM
COCCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000217632200	222671845	/nfs/dbraw/zinc/67/18/45/222671845.db2.gz	UNRVBAYJTLIDGZ-LBPRGKRZSA-N	-1	0	372.443	1.291	40	0		FDABRM
COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)c(OC)cc1Cl	ZINC000225635061	222856716	/nfs/dbraw/zinc/85/67/16/222856716.db2.gz	LHMHDOPIYYXELT-DJBIQUGXSA-N	-1	0	353.758	1.950	40	0		FDABRM
O=C([O-])c1ccccc1-n1cc(CN2CCO[C@@H](c3cc[nH]n3)C2)cn1	ZINC000257221615	223026284	/nfs/dbraw/zinc/02/62/84/223026284.db2.gz	DPVRUQZSHBBHEG-QGZVFWFLSA-N	-1	0	353.382	1.867	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2ccnc(-c3cncc(C(=O)[O-])c3)c2)C1	ZINC000257330803	223068117	/nfs/dbraw/zinc/06/81/17/223068117.db2.gz	XQDJMHURDGJGAH-CYBMUJFWSA-N	-1	0	361.423	1.666	40	0		FDABRM
COc1ccc(OCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000029437568	211511243	/nfs/dbraw/zinc/51/12/43/211511243.db2.gz	YGJKYEFBJWMUKF-UHFFFAOYSA-N	-1	0	364.423	1.876	40	0		FDABRM
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000004158680	210513782	/nfs/dbraw/zinc/51/37/82/210513782.db2.gz	UXEDYYWVDVLBNH-WISYIIOYSA-N	-1	0	355.460	1.943	40	0		FDABRM
CC(=O)NC(=C(C)C)C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-]	ZINC000001593817	210361836	/nfs/dbraw/zinc/36/18/36/210361836.db2.gz	KJFCXOHNGMNKNU-AWEZNQCLSA-N	-1	0	350.440	1.919	40	0		FDABRM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O)C(=O)[O-]	ZINC000101273598	222266263	/nfs/dbraw/zinc/26/62/63/222266263.db2.gz	CSFKFVCTXAETKD-UONOGXRCSA-N	-1	0	364.423	1.258	40	0		FDABRM
O=C([O-])[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccccc1	ZINC000108523498	222419558	/nfs/dbraw/zinc/41/95/58/222419558.db2.gz	NYSPQRRENZKGJJ-JOQOYGCGSA-N	-1	0	367.405	1.803	40	0		FDABRM
COC(=O)CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S	ZINC000008092025	518453737	/nfs/dbraw/zinc/45/37/37/518453737.db2.gz	JHGMKUXRDWLDMS-WDZFZDKYSA-N	-1	0	367.404	1.524	40	0		FDABRM
CCOC(=O)C1=C[C@@](C)(C(=O)OCC)Nc2c(=O)[n-]c(SC)nc2N1	ZINC000008665364	518482839	/nfs/dbraw/zinc/48/28/39/518482839.db2.gz	AYSLOAWDYIXEEC-HNNXBMFYSA-N	-1	0	368.415	1.098	40	0		FDABRM
Cc1nc2cc([C@H]3CCCN3C(=O)CCCn3cncn3)[n-]n2c(=O)c1C	ZINC000012337004	518605751	/nfs/dbraw/zinc/60/57/51/518605751.db2.gz	YSQHWMRKKFAREG-OAHLLOKOSA-N	-1	0	369.429	1.787	40	0		FDABRM
CCOc1cccc(C(=O)NC(=S)[N-]n2c(C)nnc2SC)c1	ZINC000033714083	519590069	/nfs/dbraw/zinc/59/00/69/519590069.db2.gz	YJCJEYVERJUYPF-UHFFFAOYSA-N	-1	0	351.457	1.966	40	0		FDABRM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)noc3C)n2)cc1	ZINC000041153897	519647174	/nfs/dbraw/zinc/64/71/74/519647174.db2.gz	GLDAODSEUOOJKQ-UHFFFAOYSA-N	-1	0	364.383	1.829	40	0		FDABRM
O=C([O-])c1ccc(NC2CCCCC2)c(S(=O)(=O)NCCCO)c1	ZINC000217461238	526378584	/nfs/dbraw/zinc/37/85/84/526378584.db2.gz	AHZCFTPDPASJCH-UHFFFAOYSA-N	-1	0	356.444	1.790	40	0		FDABRM
COCCCNc1ccc(S(=O)(=O)NCCCOC)cc1C(=O)[O-]	ZINC000217601168	537455093	/nfs/dbraw/zinc/45/50/93/537455093.db2.gz	FJQXKYWYINSDCJ-UHFFFAOYSA-N	-1	0	360.432	1.148	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)s1	ZINC000223161062	537519858	/nfs/dbraw/zinc/51/98/58/537519858.db2.gz	CNEZAGBJOFGQJC-UHFFFAOYSA-N	-1	0	372.428	1.705	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccc(F)cc2)s1	ZINC000224181641	537540010	/nfs/dbraw/zinc/54/00/10/537540010.db2.gz	BHWWHJGTTSGELA-UHFFFAOYSA-N	-1	0	358.420	1.547	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCOC2CCCCC2)s1	ZINC000225266395	537543535	/nfs/dbraw/zinc/54/35/35/537543535.db2.gz	ZAAFEFRYHQZITK-UHFFFAOYSA-N	-1	0	362.477	1.514	40	0		FDABRM
COc1ccc(C)cc1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCOCC1	ZINC000564854160	547068605	/nfs/dbraw/zinc/06/86/05/547068605.db2.gz	JVMWZJFIJGERHA-CYBMUJFWSA-N	-1	0	357.428	1.409	40	0		FDABRM
O=C(CCc1cc(=O)[n-]o1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1	ZINC000585287999	551579631	/nfs/dbraw/zinc/57/96/31/551579631.db2.gz	LJTJJZDTQJWKTA-ZSZQSSIHSA-N	-1	0	358.394	1.459	40	0		FDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217493946	568187942	/nfs/dbraw/zinc/18/79/42/568187942.db2.gz	YOLXEBAIHBIURA-UHFFFAOYSA-N	-1	0	368.411	1.905	40	0		FDABRM
Cc1ncsc1[C@H](NS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)[O-]	ZINC000527301973	571148235	/nfs/dbraw/zinc/14/82/35/571148235.db2.gz	OOHRPVKZEVIMIB-ZDUSSCGKSA-N	-1	0	368.436	1.881	40	0		FDABRM
COC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)COC)c(C(=O)[O-])c1	ZINC000217668957	222673078	/nfs/dbraw/zinc/67/30/78/222673078.db2.gz	ROAHYKJCCRBPMO-WDEREUQCSA-N	-1	0	360.432	1.145	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccccc2F)cc(-c2cccnc2)n1	ZINC000328967245	210128030	/nfs/dbraw/zinc/12/80/30/210128030.db2.gz	CSAMPHVCSPTETE-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
O=C([O-])CNc1nc(Nc2c(F)cccc2F)cc(-c2cccnc2)n1	ZINC000328962002	210126955	/nfs/dbraw/zinc/12/69/55/210126955.db2.gz	BGIVEEJCKXUIRD-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1C(=O)[O-]	ZINC000071195269	210062602	/nfs/dbraw/zinc/06/26/02/210062602.db2.gz	GZKLOPRITHGINH-AWEZNQCLSA-N	-1	0	370.365	1.762	40	0		FDABRM
CC1(C)S[C@@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000005415780	219676910	/nfs/dbraw/zinc/67/69/10/219676910.db2.gz	LTLGHWWAISDESV-CKYFFXLPSA-N	-1	0	369.830	1.977	40	0		FDABRM
CN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCCC[C@@H](O)[C@@H]1O	ZINC000257318962	223064636	/nfs/dbraw/zinc/06/46/36/223064636.db2.gz	VQCCXVCVRSCKAB-YRGRVCCFSA-N	-1	0	358.232	1.891	40	0		FDABRM
Cn1cnc(S(=O)(=O)[N-]c2ccc([C@H]3CCc4nncn4C3)cc2)c1	ZINC000019699177	211247324	/nfs/dbraw/zinc/24/73/24/211247324.db2.gz	HNYZDKUGJCANMF-ZDUSSCGKSA-N	-1	0	358.427	1.542	40	0		FDABRM
O=C([C@H]1CCCO1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000019375624	211220433	/nfs/dbraw/zinc/22/04/33/211220433.db2.gz	DGQLQHYALHQQPQ-TZMCWYRMSA-N	-1	0	363.439	1.426	40	0		FDABRM
O=C([O-])[C@@H]1CS[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1	ZINC000013636881	211044845	/nfs/dbraw/zinc/04/48/45/211044845.db2.gz	MNGNIHLMTZCEOY-VHSXEESVSA-N	-1	0	362.329	1.719	40	0		FDABRM
O=C([N-]C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)C(F)(F)F	ZINC000000820185	210275821	/nfs/dbraw/zinc/27/58/21/210275821.db2.gz	VUKCMKKLFPMOTI-LSSIXWDNSA-N	-1	0	366.295	1.178	40	0		FDABRM
CC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2Cl)CC1	ZINC000057332427	132376455	/nfs/dbraw/zinc/37/64/55/132376455.db2.gz	YWHPYWWUFRZSMM-LBPRGKRZSA-N	-1	0	365.817	1.446	40	0		FDABRM
O=C([O-])c1sccc1S(=O)(=O)N1CCN(c2ccccn2)CC1	ZINC000015424065	132877454	/nfs/dbraw/zinc/87/74/54/132877454.db2.gz	SGZAIVGFJKFDJE-UHFFFAOYSA-N	-1	0	353.425	1.352	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@H]2CC[C@@H]1O2	ZINC000004179738	518289178	/nfs/dbraw/zinc/28/91/78/518289178.db2.gz	YGTSBWSWLUWAKN-QTNSFHEISA-N	-1	0	370.449	1.722	40	0		FDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCc1ccccc1Br	ZINC000004750236	518310310	/nfs/dbraw/zinc/31/03/10/518310310.db2.gz	HXAFKQFUZSHYEW-XQHKEYJVSA-N	-1	0	354.200	1.944	40	0		FDABRM
CC(=O)N[C@H](CC(=O)Nc1cccc2c1-c1ccccc1C2=O)C(=O)[O-]	ZINC000005431461	518344232	/nfs/dbraw/zinc/34/42/32/518344232.db2.gz	ZOYHSORKFDZUBV-OAHLLOKOSA-N	-1	0	352.346	1.816	40	0		FDABRM
CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)[O-])C1=O	ZINC000006954702	518395453	/nfs/dbraw/zinc/39/54/53/518395453.db2.gz	CJSCRVDGYKZVAM-KPKJPENVSA-N	-1	0	365.363	1.749	40	0		FDABRM
O=C(NC[C@@H]1CCCO1)c1cnc([N-]S(=O)(=O)c2ccccc2)nc1	ZINC000033739636	519589315	/nfs/dbraw/zinc/58/93/15/519589315.db2.gz	HKHPGBPFRMVRDW-ZDUSSCGKSA-N	-1	0	362.411	1.186	40	0		FDABRM
Cc1nc([C@H]2CN(Cc3ccc(OCC(=O)[O-])cc3)CCO2)cc(=O)[nH]1	ZINC000257235353	534502873	/nfs/dbraw/zinc/50/28/73/534502873.db2.gz	GXLJCZWGCRSDQT-MRXNPFEDSA-N	-1	0	359.382	1.528	40	0		FDABRM
COC[C@@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000217635829	522255809	/nfs/dbraw/zinc/25/58/09/522255809.db2.gz	HLBSKKFMRVRACK-NEPJUHHUSA-N	-1	0	372.443	1.289	40	0		FDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)COC	ZINC000217531345	537455410	/nfs/dbraw/zinc/45/54/10/537455410.db2.gz	WTGKKYSYUXZYHH-NSHDSACASA-N	-1	0	360.432	1.146	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)s1	ZINC000224618465	537541916	/nfs/dbraw/zinc/54/19/16/537541916.db2.gz	UKDZGRMVMLNABQ-UHFFFAOYSA-N	-1	0	370.412	1.662	40	0		FDABRM
Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225746113	537558442	/nfs/dbraw/zinc/55/84/42/537558442.db2.gz	HTSWKCQLFDXXHD-LFSVMHDDSA-N	-1	0	373.331	1.371	40	0		FDABRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C1CCC(F)(F)CC1	ZINC000585271769	551576584	/nfs/dbraw/zinc/57/65/84/551576584.db2.gz	JQJONWIMKGQSLW-UHFFFAOYSA-N	-1	0	374.365	1.648	40	0		FDABRM
O=C([O-])CN1CCOCCOc2ccccc2Nc2ncccc2C1=O	ZINC000585286506	551579090	/nfs/dbraw/zinc/57/90/90/551579090.db2.gz	SRJSADKQRINANS-UHFFFAOYSA-N	-1	0	357.366	1.761	40	0		FDABRM
O=C([O-])CN1C(=O)N/C(=C/c2cccc(I)c2)C1=O	ZINC000408592635	570573558	/nfs/dbraw/zinc/57/35/58/570573558.db2.gz	NCIXFLDVYDYREK-WEVVVXLNSA-N	-1	0	372.118	1.269	40	0		FDABRM
CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)ccc1OCC(=O)[O-]	ZINC000409006271	570711399	/nfs/dbraw/zinc/71/13/99/570711399.db2.gz	IIMVSORDNFGXRZ-XFFZJAGNSA-N	-1	0	350.396	1.626	40	0		FDABRM
Cc1ccc(C(=O)[O-])c(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	ZINC000217724304	222673766	/nfs/dbraw/zinc/67/37/66/222673766.db2.gz	IRESIRGRFDSLQW-UHFFFAOYSA-N	-1	0	364.379	1.358	40	0		FDABRM
O=C([O-])[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218500589	222682111	/nfs/dbraw/zinc/68/21/11/222682111.db2.gz	YIGHDHVYLNNDSZ-HLLBOEOZSA-N	-1	0	350.367	1.829	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)n1	ZINC000328955321	210124545	/nfs/dbraw/zinc/12/45/45/210124545.db2.gz	ABOXHFVNTLJXAT-UHFFFAOYSA-N	-1	0	364.361	1.956	40	0		FDABRM
O=C([O-])CCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O	ZINC000257291168	223052122	/nfs/dbraw/zinc/05/21/22/223052122.db2.gz	QFYOEFYSNMZPBX-PBHICJAKSA-N	-1	0	360.410	1.082	40	0		FDABRM
Cc1cc(=O)n2[n-]c(C3CCN(C(=O)CCn4cncn4)CC3)cc2n1	ZINC000019117179	211202289	/nfs/dbraw/zinc/20/22/89/211202289.db2.gz	FLDXNMOBIBTXRW-UHFFFAOYSA-N	-1	0	355.402	1.131	40	0		FDABRM
COc1ncc(C(=O)N2CC[C@H](c3cc(=O)n4[n-]c(C)cc4n3)C2)cn1	ZINC000013226862	211028447	/nfs/dbraw/zinc/02/84/47/211028447.db2.gz	FMPGXTSMVBQHHR-NSHDSACASA-N	-1	0	354.370	1.172	40	0		FDABRM
CN(C(=O)OCCCC(=O)[O-])c1ccccc1C(=O)N1CCOCC1	ZINC000006855062	210709983	/nfs/dbraw/zinc/70/99/83/210709983.db2.gz	JEZMQPZYNRFXJB-UHFFFAOYSA-N	-1	0	350.371	1.597	40	0		FDABRM
O=C([O-])C1=C[C@@H](c2ccccc2)c2c(=O)[nH]c(N3CCOCC3)nc2N1	ZINC000102277056	132235010	/nfs/dbraw/zinc/23/50/10/132235010.db2.gz	CPTXAUUMPVTVAB-LBPRGKRZSA-N	-1	0	354.366	1.132	40	0		FDABRM
CCc1[n-]n2c(nc([C@@H]3CCN(C(=O)c4cnn(C)c4C)C3)cc2=O)c1C	ZINC000100147038	222237508	/nfs/dbraw/zinc/23/75/08/222237508.db2.gz	BWMXNGFCFFPVDJ-CYBMUJFWSA-N	-1	0	368.441	1.977	40	0		FDABRM
Cc1nc2cc(C3CCN(C(=O)CCn4cncn4)CC3)[n-]n2c(=O)c1C	ZINC000100752539	222252349	/nfs/dbraw/zinc/25/23/49/222252349.db2.gz	UMGSYZIDGFRHHW-UHFFFAOYSA-N	-1	0	369.429	1.440	40	0		FDABRM
CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)CC1	ZINC000100771199	222252771	/nfs/dbraw/zinc/25/27/71/222252771.db2.gz	ZVDLSJPOZVWMBQ-QMHWVQJVSA-N	-1	0	369.506	1.508	40	0		FDABRM
COc1cc([C@@H]2CC(C(=O)[O-])=Nc3nc(C(F)(F)F)nn32)ccc1O	ZINC000102335933	222295005	/nfs/dbraw/zinc/29/50/05/222295005.db2.gz	XHIQHVWZYOAAFU-QMMMGPOBSA-N	-1	0	356.260	1.995	40	0		FDABRM
Cn1ncc2c1CCc1sc(NC(=O)C[C@H]3SC(=O)[N-]C3=O)nc1-2	ZINC000012327416	518603698	/nfs/dbraw/zinc/60/36/98/518603698.db2.gz	VWEAMALDFMCPBH-SECBINFHSA-N	-1	0	363.424	1.322	40	0		FDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1	ZINC000032081743	519479138	/nfs/dbraw/zinc/47/91/38/519479138.db2.gz	VLONFNAPHUMULR-UHFFFAOYSA-N	-1	0	350.396	1.912	40	0		FDABRM
Cc1ccc(Cn2nnc3c2nc(C(=O)NC[C@H]2CCCO2)[n-]c3=O)cc1	ZINC000035315546	519602977	/nfs/dbraw/zinc/60/29/77/519602977.db2.gz	UIYJKQWUPOTPFZ-CYBMUJFWSA-N	-1	0	368.397	1.192	40	0		FDABRM
COC(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000036182876	519618579	/nfs/dbraw/zinc/61/85/79/519618579.db2.gz	RKGHYYWVKZDMBG-UHFFFAOYSA-N	-1	0	356.385	1.084	40	0		FDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1ccnc([N-]c2nccs2)n1	ZINC000072377837	522228452	/nfs/dbraw/zinc/22/84/52/522228452.db2.gz	SSQNINOMTYSOTB-NSHDSACASA-N	-1	0	354.461	1.620	40	0		FDABRM
C[C@H](Sc1nnc2n(Cc3ccccc3)c3ncnc(N)c3n12)C(=O)[O-]	ZINC000085397314	524353678	/nfs/dbraw/zinc/35/36/78/524353678.db2.gz	NGAOHHBDNSFCFQ-VIFPVBQESA-N	-1	0	369.410	1.670	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCCO	ZINC000217637600	537455230	/nfs/dbraw/zinc/45/52/30/537455230.db2.gz	HAUKNUDPNAVFLD-UHFFFAOYSA-N	-1	0	350.396	1.980	40	0		FDABRM
CCSc1nnc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)s1	ZINC000225463814	537550667	/nfs/dbraw/zinc/55/06/67/537550667.db2.gz	PICMWJMPGQAAKK-UHFFFAOYSA-N	-1	0	366.475	1.261	40	0		FDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(N(C)S(C)(=O)=O)c1	ZINC000225835157	537561844	/nfs/dbraw/zinc/56/18/44/537561844.db2.gz	LYCKBQSPZGNURQ-UHFFFAOYSA-N	-1	0	359.429	1.488	40	0		FDABRM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCO)c1ccccc1	ZINC000217476855	568186830	/nfs/dbraw/zinc/18/68/30/568186830.db2.gz	RKFUZCONOJWGTO-GFCCVEGCSA-N	-1	0	364.423	1.829	40	0		FDABRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1	ZINC000647742215	571106612	/nfs/dbraw/zinc/10/66/12/571106612.db2.gz	JAZFOZYBIHJPRB-NXEZZACHSA-N	-1	0	366.171	1.836	40	0		FDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)COC	ZINC000217510072	222670584	/nfs/dbraw/zinc/67/05/84/222670584.db2.gz	ZDNKJINANAADQS-LBPRGKRZSA-N	-1	0	374.459	1.537	40	0		FDABRM
O=C([O-])CNc1nc(Nc2c(F)cccc2F)cc(-c2ccccn2)n1	ZINC000329044450	210133943	/nfs/dbraw/zinc/13/39/43/210133943.db2.gz	SXPVNOLWLCVEAW-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
COc1ccc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)cc1F	ZINC000329018942	210131565	/nfs/dbraw/zinc/13/15/65/210131565.db2.gz	NUBDDJZAEOAQNP-UHFFFAOYSA-N	-1	0	360.267	1.727	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(F)c(F)c2F)cc(C(F)(F)F)n1	ZINC000328966959	210126585	/nfs/dbraw/zinc/12/65/85/210126585.db2.gz	CPSCJMIFZXZHAT-UHFFFAOYSA-N	-1	0	366.221	1.997	40	0		FDABRM
CCC[C@@H](N[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21)C(=O)OCC	ZINC000003831301	210079575	/nfs/dbraw/zinc/07/95/75/210079575.db2.gz	IPVQLZZIHOAWMC-OXGONZEZSA-N	-1	0	368.474	1.941	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccc(C)cc2)s1	ZINC000224177930	222808809	/nfs/dbraw/zinc/80/88/09/222808809.db2.gz	LSCGBOHLKOATOC-SNVBAGLBSA-N	-1	0	370.456	1.551	40	0		FDABRM
Cc1ccc(OCCN2CCOCC2)c(-n2cc(C(=O)[O-])ccc2=O)c1	ZINC000257214276	223024086	/nfs/dbraw/zinc/02/40/86/223024086.db2.gz	CLJCWURXBLBQMR-UHFFFAOYSA-N	-1	0	358.394	1.555	40	0		FDABRM
O=C([O-])c1cccc(O[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)c1	ZINC000257238274	223032299	/nfs/dbraw/zinc/03/22/99/223032299.db2.gz	HKGNAUQCVBNPGW-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
Cc1nnnn1-c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000257267144	223043673	/nfs/dbraw/zinc/04/36/73/223043673.db2.gz	MGDDDYAHJPKDAQ-UHFFFAOYSA-N	-1	0	361.358	1.229	40	0		FDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000045866113	211823600	/nfs/dbraw/zinc/82/36/00/211823600.db2.gz	UFPWVJLFVYCJRF-UHFFFAOYSA-N	-1	0	371.436	1.908	40	0		FDABRM
O=C([O-])[C@H]1CS[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1	ZINC000020635129	211290960	/nfs/dbraw/zinc/29/09/60/211290960.db2.gz	MFAVDFJJNUTTEO-ZJUUUORDSA-N	-1	0	362.329	1.719	40	0		FDABRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)c1c[nH]c2ccccc12	ZINC000001610320	210362405	/nfs/dbraw/zinc/36/24/05/210362405.db2.gz	YOEMWLPRWFIQCU-MRXNPFEDSA-N	-1	0	352.346	1.868	40	0		FDABRM
CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000217660513	132272490	/nfs/dbraw/zinc/27/24/90/132272490.db2.gz	CTAXUMONIDYLEH-GFCCVEGCSA-N	-1	0	356.444	1.688	40	0		FDABRM
CCOc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1OCC(=O)[O-]	ZINC000006964961	518395347	/nfs/dbraw/zinc/39/53/47/518395347.db2.gz	VDEIWFCVDMMLSC-UVTDQMKNSA-N	-1	0	360.366	1.314	40	0		FDABRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@@H]2C(=O)NNC(=O)c1ccc(Cl)cc1	ZINC000033392778	519587610	/nfs/dbraw/zinc/58/76/10/519587610.db2.gz	SBVUCAFZXKLGDP-QHSOUUPTSA-N	-1	0	350.758	1.145	40	0		FDABRM
COCCNC(=O)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[n-]1	ZINC000035315543	519603524	/nfs/dbraw/zinc/60/35/24/519603524.db2.gz	NGJQSJGXOPPMEB-UHFFFAOYSA-N	-1	0	362.777	1.005	40	0		FDABRM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2O)cc1	ZINC000257284204	534546613	/nfs/dbraw/zinc/54/66/13/534546613.db2.gz	PBSUDEDMOXQHPZ-IAGOWNOFSA-N	-1	0	359.353	1.717	40	0		FDABRM
Cc1cc([N-]c2nncs2)nc([C@@H]2CCCN(S(C)(=O)=O)C2)n1	ZINC000072360005	522224314	/nfs/dbraw/zinc/22/43/14/522224314.db2.gz	XTPRCDISOXWWDU-SNVBAGLBSA-N	-1	0	354.461	1.519	40	0		FDABRM
COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217466154	523959876	/nfs/dbraw/zinc/95/98/76/523959876.db2.gz	MPDWKORMLBTSFV-UHFFFAOYSA-N	-1	0	354.384	1.515	40	0		FDABRM
COc1c(C)cccc1C(=O)NC(=S)[N-]n1c(C)nnc1SC	ZINC000107908957	525929307	/nfs/dbraw/zinc/92/93/07/525929307.db2.gz	QHPKNZXXHRMNIF-UHFFFAOYSA-N	-1	0	351.457	1.884	40	0		FDABRM
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CO)C(=O)[O-])cc1	ZINC000218098283	537458568	/nfs/dbraw/zinc/45/85/68/537458568.db2.gz	FQVVFNIRUDSZMG-RYRKJORJSA-N	-1	0	362.403	1.698	40	0		FDABRM
O=C([O-])[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218504837	537463526	/nfs/dbraw/zinc/46/35/26/537463526.db2.gz	NQRJUERJIVZLHG-VYDXJSESSA-N	-1	0	350.367	1.829	40	0		FDABRM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000225099514	537542120	/nfs/dbraw/zinc/54/21/20/537542120.db2.gz	KNNZSVRTYRFZRU-UHFFFAOYSA-N	-1	0	370.412	1.392	40	0		FDABRM
CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)no1	ZINC000585270373	551576446	/nfs/dbraw/zinc/57/64/46/551576446.db2.gz	BYWDICPAASMVTC-UHFFFAOYSA-N	-1	0	365.367	1.077	40	0		FDABRM
COC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)o2)cc1	ZINC000408588616	570566740	/nfs/dbraw/zinc/56/67/40/570566740.db2.gz	CAXXVRYTVLYSQU-MDWZMJQESA-N	-1	0	370.317	1.711	40	0		FDABRM
CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CO)C(=O)[O-]	ZINC000242547616	571107333	/nfs/dbraw/zinc/10/73/33/571107333.db2.gz	KNHZHRMPRMFWBY-LOWVWBTDSA-N	-1	0	363.229	1.413	40	0		FDABRM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]Cc1ccc(F)cc1	ZINC000006859705	210091030	/nfs/dbraw/zinc/09/10/30/210091030.db2.gz	KXEBJXBDSPOKPP-UHFFFAOYSA-N	-1	0	353.400	1.682	40	0		FDABRM
Cc1cc(-c2ccccc2C(=O)[O-])nc([C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257266686	223044572	/nfs/dbraw/zinc/04/45/72/223044572.db2.gz	MEBDUVOBBZHSGU-GFCCVEGCSA-N	-1	0	361.423	1.899	40	0		FDABRM
COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CCC(=O)[O-])CN3C)n2)cc1	ZINC000012529916	220002699	/nfs/dbraw/zinc/00/26/99/220002699.db2.gz	MHNWCKMYASQYLU-JSGCOSHPSA-N	-1	0	374.397	1.471	40	0	biogenic,in-vitro	FDABRM
CCc1ccc(N2C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000101273615	222266946	/nfs/dbraw/zinc/26/69/46/222266946.db2.gz	NWCFXBHTDSKQPG-UONOGXRCSA-N	-1	0	364.423	1.203	40	0		FDABRM
CCc1c(C)[n-]n2c1nc([C@@H]1CCN(C(=O)c3cnn(C)c3)C1)cc2=O	ZINC000100727964	222250609	/nfs/dbraw/zinc/25/06/09/222250609.db2.gz	HVFXGNDPXKHNTR-GFCCVEGCSA-N	-1	0	354.414	1.669	40	0		FDABRM
CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1	ZINC000006553215	263346043	/nfs/dbraw/zinc/34/60/43/263346043.db2.gz	GCHKVVGXJVUPQO-UHFFFAOYSA-N	-1	0	354.428	1.473	40	0		FDABRM
CCOc1ccc(NC(=O)C(=O)C2=S([O-])c3ccccc3NC2=O)cc1	ZINC000005834527	518355697	/nfs/dbraw/zinc/35/56/97/518355697.db2.gz	WSIBVDIYOZHPHF-YHAMSUFESA-N	-1	0	372.402	1.721	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCN3C(=O)Cc3nonc3C)cc2n1	ZINC000012276513	518599956	/nfs/dbraw/zinc/59/99/56/518599956.db2.gz	INCNLZCMBXLYGR-AWEZNQCLSA-N	-1	0	356.386	1.595	40	0		FDABRM
Cn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cn1	ZINC000027937990	519205514	/nfs/dbraw/zinc/20/55/14/519205514.db2.gz	RJQMZEVODTWMAH-UHFFFAOYSA-N	-1	0	363.424	1.930	40	0		FDABRM
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1	ZINC000217502491	522255214	/nfs/dbraw/zinc/25/52/14/522255214.db2.gz	VPYIJJLIHINXOC-YPMHNXCESA-N	-1	0	372.443	1.289	40	0		FDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@@H](Cc2cccn3nccc23)C1	ZINC000257302502	526972036	/nfs/dbraw/zinc/97/20/36/526972036.db2.gz	SDDSJVKHXXIWSN-GOEBONIOSA-N	-1	0	359.426	1.587	40	0		FDABRM
COC[C@]1(C(=O)[O-])[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O	ZINC000218196324	537461600	/nfs/dbraw/zinc/46/16/00/537461600.db2.gz	FGCLEQCOCZDXJJ-GVXVVHGQSA-N	-1	0	363.229	1.677	40	0		FDABRM
COCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000223193206	537519313	/nfs/dbraw/zinc/51/93/13/537519313.db2.gz	CMBMBEPIDZDHQF-UHFFFAOYSA-N	-1	0	370.456	1.414	40	0		FDABRM
Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)co1	ZINC000585271481	551576506	/nfs/dbraw/zinc/57/65/06/551576506.db2.gz	HZTSFBXVGQXNPQ-UHFFFAOYSA-N	-1	0	353.381	1.015	40	0		FDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1cncs1)O[C@H](C)C(=O)N2	ZINC000585272833	551576602	/nfs/dbraw/zinc/57/66/02/551576602.db2.gz	OWLPXDIDZMETET-MRVPVSSYSA-N	-1	0	367.408	1.290	40	0		FDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cccs3)cc2NC1=O	ZINC000585281601	551578859	/nfs/dbraw/zinc/57/88/59/551578859.db2.gz	MOPMMBZVQFLOKS-NSHDSACASA-N	-1	0	366.420	1.976	40	0		FDABRM
O=C([O-])c1ccc(N2CCCC2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1	ZINC000217500775	568188236	/nfs/dbraw/zinc/18/82/36/568188236.db2.gz	LFDVDKLZDJJALM-ZDUSSCGKSA-N	-1	0	354.428	1.442	40	0		FDABRM
CNc1nc(-c2ccncc2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000329027049	571130602	/nfs/dbraw/zinc/13/06/02/571130602.db2.gz	PQPRNWJOWXXRGO-UHFFFAOYSA-N	-1	0	372.410	2.266	40	0		FDABRM
COC(=O)c1ccc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)cc1	ZINC000329064749	571131000	/nfs/dbraw/zinc/13/10/00/571131000.db2.gz	XMVMUMHWIAFSHI-UHFFFAOYSA-N	-1	0	370.287	2.522	40	0		FDABRM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000006784605	210089739	/nfs/dbraw/zinc/08/97/39/210089739.db2.gz	HLUMIGYIJVYUJL-UHFFFAOYSA-N	-1	0	365.392	1.594	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cnc(-c3cccc(C(=O)[O-])c3)cn2)C1	ZINC000257219991	223025322	/nfs/dbraw/zinc/02/53/22/223025322.db2.gz	DJCOGAAYWWPGHO-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cc(-c3cccc(C(=O)[O-])c3)ncn2)C1	ZINC000257238388	223033877	/nfs/dbraw/zinc/03/38/77/223033877.db2.gz	HKTMVZXURJOSCM-GFCCVEGCSA-N	-1	0	361.423	1.666	40	0		FDABRM
O=C([O-])[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1	ZINC000020635126	211291477	/nfs/dbraw/zinc/29/14/77/211291477.db2.gz	MFAVDFJJNUTTEO-UWVGGRQHSA-N	-1	0	362.329	1.719	40	0		FDABRM
O=C([O-])CCC(=O)SC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000016041924	211153915	/nfs/dbraw/zinc/15/39/15/211153915.db2.gz	DGVVVAKDZUPXEM-WDEREUQCSA-N	-1	0	366.464	1.677	40	0		FDABRM
CC(=O)N[C@@H](CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2)C(=O)[O-]	ZINC000001721145	210367828	/nfs/dbraw/zinc/36/78/28/210367828.db2.gz	LAPLGDSKHNQRAZ-HNNXBMFYSA-N	-1	0	352.346	1.816	40	0		FDABRM
CCc1[n-]n2c(nc([C@H]3CCN(C(=O)c4cnn(C)c4C)C3)cc2=O)c1C	ZINC000100147039	222237454	/nfs/dbraw/zinc/23/74/54/222237454.db2.gz	BWMXNGFCFFPVDJ-ZDUSSCGKSA-N	-1	0	368.441	1.977	40	0		FDABRM
Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)cnn1C(F)F	ZINC000019553122	263374729	/nfs/dbraw/zinc/37/47/29/263374729.db2.gz	UQWDCSZVKTZFHO-UHFFFAOYSA-N	-1	0	372.353	1.743	40	0		FDABRM
Cc1cc2nc([C@@H]3CCCCN3CC(=O)N3CCOCC3)cc(=O)n2[n-]1	ZINC000257342384	534133543	/nfs/dbraw/zinc/13/35/43/534133543.db2.gz	ZOIZBEXCICXUTK-HNNXBMFYSA-N	-1	0	359.430	1.129	40	0		FDABRM
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000003957970	518283101	/nfs/dbraw/zinc/28/31/01/518283101.db2.gz	VPHJPSWLQFLNSJ-OAHLLOKOSA-N	-1	0	364.354	1.350	40	0		FDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@H]2CC[C@@H]1O2	ZINC000004638671	518307168	/nfs/dbraw/zinc/30/71/68/518307168.db2.gz	JDRNIXRYTRZGKC-UGUYLWEFSA-N	-1	0	364.829	1.867	40	0		FDABRM
CCOc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824008	518355518	/nfs/dbraw/zinc/35/55/18/518355518.db2.gz	KNLPRLCCNPAGBS-AKJBCIBTSA-N	-1	0	372.402	1.721	40	0		FDABRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000005975439	518360862	/nfs/dbraw/zinc/36/08/62/518360862.db2.gz	JEQVPLRARQDKGG-LFIBNONCSA-N	-1	0	350.330	1.954	40	0		FDABRM
CC1(C)S[C@@H]2[C@@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028249618	519229281	/nfs/dbraw/zinc/22/92/81/519229281.db2.gz	LTLGHWWAISDESV-JBLDHEPKSA-N	-1	0	369.830	1.977	40	0		FDABRM
CC(=O)N1CCN(c2ccc(C(=O)[O-])cc2I)CC1	ZINC000039951861	519637773	/nfs/dbraw/zinc/63/77/73/519637773.db2.gz	QFJDQPFSPUSIGE-UHFFFAOYSA-N	-1	0	374.178	1.658	40	0		FDABRM
C[C@@H](Sc1nnc2n(Cc3ccccc3)c3ncnc(N)c3n12)C(=O)[O-]	ZINC000085397315	524352263	/nfs/dbraw/zinc/35/22/63/524352263.db2.gz	NGAOHHBDNSFCFQ-SECBINFHSA-N	-1	0	369.410	1.670	40	0		FDABRM
CCCc1nn2c([n-]1)nc(CSc1nnnn1-c1ccccc1)cc2=O	ZINC000101418956	525221322	/nfs/dbraw/zinc/22/13/22/525221322.db2.gz	FYNGGEKPYMVDCL-UHFFFAOYSA-N	-1	0	368.426	1.638	40	0		FDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]C2CC2)s1)c1ccccc1Cl	ZINC000223205581	537521462	/nfs/dbraw/zinc/52/14/62/537521462.db2.gz	JKDMFPRHOPMXCK-UHFFFAOYSA-N	-1	0	358.832	1.885	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)s1	ZINC000223313243	537522833	/nfs/dbraw/zinc/52/28/33/537522833.db2.gz	YNVKORVULDWWOO-UHFFFAOYSA-N	-1	0	356.385	1.416	40	0		FDABRM
Cc1cc(Br)ccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000573181733	550081147	/nfs/dbraw/zinc/08/11/47/550081147.db2.gz	CBQHMMOUDMJTEW-SNVBAGLBSA-N	-1	0	364.217	1.232	40	0		FDABRM
Cn1c2ccccc2nc1C[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)[O-]	ZINC000514288855	560033834	/nfs/dbraw/zinc/03/38/34/560033834.db2.gz	GCBHDYZTVBWHNY-STQMWFEESA-N	-1	0	365.455	1.488	40	0	biogenic,in-vitro	FDABRM
CCOC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000408596547	570576827	/nfs/dbraw/zinc/57/68/27/570576827.db2.gz	ZYRRALQFSPGDFH-NTUHNPAUSA-N	-1	0	371.349	1.182	40	0		FDABRM
CSc1ncc(C(=O)N2CCCC2)c(N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000260679425	571106056	/nfs/dbraw/zinc/10/60/56/571106056.db2.gz	MKYGXDPKMQQTBS-NSHDSACASA-N	-1	0	350.444	1.736	40	0		FDABRM
COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1	ZINC000257274476	571156933	/nfs/dbraw/zinc/15/69/33/571156933.db2.gz	NLEOLQONPMAKGX-KRWDZBQOSA-N	-1	0	357.410	1.950	40	0		FDABRM
O=C([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1	ZINC000000892115	219337714	/nfs/dbraw/zinc/33/77/14/219337714.db2.gz	PAZKFHPSHOSMFT-UHFFFAOYSA-N	-1	0	360.435	1.891	40	0		FDABRM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCCN2CC(=O)N(C)C)n1	ZINC000257273057	223045765	/nfs/dbraw/zinc/04/57/65/223045765.db2.gz	NFBRJDHNAVAFFR-CYBMUJFWSA-N	-1	0	361.475	1.995	40	0		FDABRM
COc1ncc(C(=O)N2CC[C@@H](c3cc(=O)n4[n-]c(C)cc4n3)C2)cn1	ZINC000013226861	220062068	/nfs/dbraw/zinc/06/20/68/220062068.db2.gz	FMPGXTSMVBQHHR-LLVKDONJSA-N	-1	0	354.370	1.172	40	0		FDABRM
CC(=O)N[C@H](CSCC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000016320980	220182795	/nfs/dbraw/zinc/18/27/95/220182795.db2.gz	LBODOWCTTITMCE-LLVKDONJSA-N	-1	0	360.229	1.954	40	0		FDABRM
CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)s1	ZINC000017073026	220201635	/nfs/dbraw/zinc/20/16/35/220201635.db2.gz	VDHKLNURAYLARL-QCMRWSPLSA-N	-1	0	352.412	1.787	40	0		FDABRM
CC[C@@](O)(C(=O)OCc1ccccc1NC(=O)CCC(=O)[O-])[C@@H](C)O	ZINC000049180797	221020068	/nfs/dbraw/zinc/02/00/68/221020068.db2.gz	VDRDRMCAECTSGB-DIFFPNOSSA-N	-1	0	353.371	1.055	40	0	biogenic,in-vitro	FDABRM
CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)[O-])cc32)n1	ZINC000101945727	222287044	/nfs/dbraw/zinc/28/70/44/222287044.db2.gz	TWSPEMHIEXLCDH-LBPRGKRZSA-N	-1	0	350.400	1.469	40	0		FDABRM
CCOC(=O)c1nn2c([n-]1)nc(CSc1nnc(C)s1)cc2=O	ZINC000010157034	263363554	/nfs/dbraw/zinc/36/35/54/263363554.db2.gz	LYYZUOBCWXICPB-UHFFFAOYSA-N	-1	0	352.401	1.047	40	0		FDABRM
Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000003634264	518277276	/nfs/dbraw/zinc/27/72/76/518277276.db2.gz	AQNVIXFHOBUMTK-VRKREXBASA-N	-1	0	367.405	1.946	40	0		FDABRM
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000004158681	518289278	/nfs/dbraw/zinc/28/92/78/518289278.db2.gz	UXEDYYWVDVLBNH-WHOHXGKFSA-N	-1	0	355.460	1.943	40	0		FDABRM
CCC(=O)Nc1ccc(NC(=O)CSc2nc(=O)c(C)n[n-]2)cc1C	ZINC000005009394	518325541	/nfs/dbraw/zinc/32/55/41/518325541.db2.gz	XDOSFCITGXOMSM-UHFFFAOYSA-N	-1	0	361.427	1.861	40	0		FDABRM
CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@H]1N[C@H](C(=O)[O-])C(C)(C)S1	ZINC000005540086	518348054	/nfs/dbraw/zinc/34/80/54/518348054.db2.gz	HQEJTFRMUYHJJT-SCRDCRAPSA-N	-1	0	366.439	1.242	40	0		FDABRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(OC)c1O	ZINC000006951466	518395186	/nfs/dbraw/zinc/39/51/86/518395186.db2.gz	QKCIVPABCQNJBX-WUXMJOGZSA-N	-1	0	369.333	1.471	40	0		FDABRM
COC(=O)[C@@H](N)Cc1cc(Br)c([O-])c(Br)c1	ZINC000034196898	519594055	/nfs/dbraw/zinc/59/40/55/519594055.db2.gz	XIWWDKTXRPGESF-QMMMGPOBSA-N	-1	0	353.010	1.960	40	0		FDABRM
C[C@H](C(=O)[O-])N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2	ZINC000072326484	522215854	/nfs/dbraw/zinc/21/58/54/522215854.db2.gz	ZLVHYSNXCHQSOG-JDNHERCYSA-N	-1	0	351.790	1.677	40	0		FDABRM
COCCCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217601971	523375855	/nfs/dbraw/zinc/37/58/55/523375855.db2.gz	DNDWSXPRBWRWIP-UHFFFAOYSA-N	-1	0	368.411	1.905	40	0		FDABRM
O=C([O-])c1ccc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cc1	ZINC000085436210	524357347	/nfs/dbraw/zinc/35/73/47/524357347.db2.gz	FLAMOQSFQDPSPP-QGZVFWFLSA-N	-1	0	359.426	1.486	40	0	biogenic,in-vitro	FDABRM
Cn1nccc1CCC(=O)N1CCC(c2cc(=O)n3[n-]ccc3n2)CC1	ZINC000257262327	534848370	/nfs/dbraw/zinc/84/83/70/534848370.db2.gz	LKYSQOOQTGQFPP-UHFFFAOYSA-N	-1	0	354.414	1.507	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1	ZINC000225131272	537544367	/nfs/dbraw/zinc/54/43/67/537544367.db2.gz	QWJSAAYWYURTQZ-UHFFFAOYSA-N	-1	0	370.412	1.459	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2C)s1	ZINC000225860625	537562222	/nfs/dbraw/zinc/56/22/22/537562222.db2.gz	BFVSPXJBAFYJTF-JTQLQIEISA-N	-1	0	370.456	1.551	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)s1	ZINC000225806349	537562314	/nfs/dbraw/zinc/56/23/14/537562314.db2.gz	WNMILPKVAZQUNH-UHFFFAOYSA-N	-1	0	370.456	1.552	40	0		FDABRM
CC1(C)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)CCC(=O)[O-])C=C1COC(=O)[C@]12O	ZINC000514288274	560035237	/nfs/dbraw/zinc/03/52/37/560035237.db2.gz	AHQLBRAJSCUBQQ-GGCQVYRISA-N	-1	0	366.410	1.824	40	0	biogenic,in-vitro	FDABRM
CNc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)[O-]	ZINC000217712392	568199698	/nfs/dbraw/zinc/19/96/98/568199698.db2.gz	XJISXASEHOUTLP-UHFFFAOYSA-N	-1	0	364.423	1.956	40	0		FDABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(Cl)cc1OC	ZINC000408594168	570575176	/nfs/dbraw/zinc/57/51/76/570575176.db2.gz	SRBLSUYVVYIPFW-ONNFQVAWSA-N	-1	0	354.746	1.725	40	0		FDABRM
COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1OCC(=O)[O-]	ZINC000409030629	570714691	/nfs/dbraw/zinc/71/46/91/570714691.db2.gz	GXDOYMWALWTIOV-YHYXMXQVSA-N	-1	0	370.814	1.842	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)n1	ZINC000328967201	571132330	/nfs/dbraw/zinc/13/23/30/571132330.db2.gz	CQLHNLVDSITDRA-UHFFFAOYSA-N	-1	0	369.425	2.431	40	0		FDABRM
O=C([O-])[C@@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	ZINC000218504989	222682885	/nfs/dbraw/zinc/68/28/85/222682885.db2.gz	NQRJUERJIVZLHG-ZOBUZTSGSA-N	-1	0	350.367	1.829	40	0		FDABRM
CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC000001346136	219397186	/nfs/dbraw/zinc/39/71/86/219397186.db2.gz	NIFRKCKXYXUZMD-UHFFFAOYSA-N	-1	0	368.455	1.700	40	0		FDABRM
C[C@@H](NS(=O)(=O)c1ccc(Nc2cc(Cl)ncn2)cc1)C(=O)[O-]	ZINC000226105376	222882297	/nfs/dbraw/zinc/88/22/97/222882297.db2.gz	WYPBMBLXWMVYFW-MRVPVSSYSA-N	-1	0	356.791	1.625	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2nccnc2-c2ccccc2C(=O)[O-])C1	ZINC000257330463	223068700	/nfs/dbraw/zinc/06/87/00/223068700.db2.gz	XOODXRFIWHIDDN-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
CCn1nc(C(=O)N2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)cc1C	ZINC000257336969	223071204	/nfs/dbraw/zinc/07/12/04/223071204.db2.gz	YQVNRECWWGKUKB-HZPDHXFCSA-N	-1	0	359.382	1.174	40	0		FDABRM
COc1ccc2sc(N3C[C@]45C=C[C@H](O4)[C@@H](C(=O)[O-])[C@@H]5C3=O)nc2c1	ZINC000013573098	220075787	/nfs/dbraw/zinc/07/57/87/220075787.db2.gz	ZTKYSQQEFVALOZ-VDXNLZSASA-N	-1	0	358.375	1.676	40	0		FDABRM
CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)s1	ZINC000017073025	220202896	/nfs/dbraw/zinc/20/28/96/220202896.db2.gz	VDHKLNURAYLARL-SPFNVWMYSA-N	-1	0	352.412	1.787	40	0		FDABRM
O=C([C@H]1CCCO1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000019375626	220256092	/nfs/dbraw/zinc/25/60/92/220256092.db2.gz	DGQLQHYALHQQPQ-GXTWGEPZSA-N	-1	0	363.439	1.426	40	0		FDABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1COc2ccccc2O1	ZINC000023711580	220432380	/nfs/dbraw/zinc/43/23/80/220432380.db2.gz	FKYYUMXJLVVNRU-LBPRGKRZSA-N	-1	0	362.407	1.628	40	0		FDABRM
C[C@@H](C(=O)[O-])n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O	ZINC000040391461	220903039	/nfs/dbraw/zinc/90/30/39/220903039.db2.gz	WLZDGAVGALLLNG-VIFPVBQESA-N	-1	0	353.313	1.891	40	0		FDABRM
CCN(Cc1ncc(C(=O)[O-])c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000049468531	221022905	/nfs/dbraw/zinc/02/29/05/221022905.db2.gz	GKDJZUOFZZQNCL-UHFFFAOYSA-N	-1	0	371.802	1.332	40	0		FDABRM
Cc1nc(CN(Cc2ccc(F)cc2)S(C)(=O)=O)ncc1C(=O)[O-]	ZINC000049468452	221023243	/nfs/dbraw/zinc/02/32/43/221023243.db2.gz	JTRWFUWIEUXYOU-UHFFFAOYSA-N	-1	0	353.375	1.584	40	0		FDABRM
Cc1nc(C)c(S(=O)(=O)N[C@H](C(=O)[O-])c2c(C)nn(C)c2C)s1	ZINC000548534070	542693366	/nfs/dbraw/zinc/69/33/66/542693366.db2.gz	PCKWELLKRMAEGF-NSHDSACASA-N	-1	0	358.445	1.214	40	0		FDABRM
C[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)n1c(=O)[nH]c2ccccc2c1=O	ZINC000103463321	222337029	/nfs/dbraw/zinc/33/70/29/222337029.db2.gz	ZJZFKKOAYTYNQF-RWMBFGLXSA-N	-1	0	373.409	1.258	40	0		FDABRM
O=C([N-]C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)C(F)(F)F	ZINC000004610744	263335141	/nfs/dbraw/zinc/33/51/41/263335141.db2.gz	VUKCMKKLFPMOTI-KZTGVZKYSA-N	-1	0	366.295	1.178	40	0		FDABRM
COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000409139382	263533017	/nfs/dbraw/zinc/53/30/17/263533017.db2.gz	ADFWDNWVCGDDFO-IZZDOVSWSA-N	-1	0	351.336	1.359	40	0		FDABRM
O=C(CSC1=NC(=O)C(c2ccccc2)C([O-])=N1)Nc1nncs1	ZINC000002782795	518248704	/nfs/dbraw/zinc/24/87/04/518248704.db2.gz	HXIZVJSHMVHIKS-UHFFFAOYSA-N	-1	0	361.408	1.725	40	0		FDABRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc2c1OCO2	ZINC000006170073	518363332	/nfs/dbraw/zinc/36/33/32/518363332.db2.gz	XJMAMTYDTMGHTL-LFYBBSHMSA-N	-1	0	370.317	1.679	40	0		FDABRM
CCCNC(=O)c1nn(CC)cc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000006399611	518370987	/nfs/dbraw/zinc/37/09/87/518370987.db2.gz	BEFORCFFPINKCM-XWUBHJNHSA-N	-1	0	362.430	1.728	40	0		FDABRM
CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cn3cncn3)[n-]n2c1=O	ZINC000012276350	518599795	/nfs/dbraw/zinc/59/97/95/518599795.db2.gz	CNSRHGQIOVFCFV-AWEZNQCLSA-N	-1	0	355.402	1.261	40	0		FDABRM
CCn1ncc(CN2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])CC2)c1C	ZINC000036610952	519624316	/nfs/dbraw/zinc/62/43/16/519624316.db2.gz	XPLZUXSFYCOSQE-FZCLSBEQSA-N	-1	0	372.469	1.379	40	0		FDABRM
CCCCC/C=C/C1=C(CO)[C@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)[O-])[C@H]1O	ZINC000252463531	519916871	/nfs/dbraw/zinc/91/68/71/519916871.db2.gz	AGWIINKICRXDEB-GJWFJWDNSA-N	-1	0	352.427	1.706	40	0	biogenic,in-vitro	FDABRM
COC[C@@H](C)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217629081	522257271	/nfs/dbraw/zinc/25/72/71/522257271.db2.gz	PQZIMCBAGAUQLY-LLVKDONJSA-N	-1	0	368.411	1.903	40	0		FDABRM
CN(Cc1noc(CCC(=O)[O-])n1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000078400976	523575719	/nfs/dbraw/zinc/57/57/19/523575719.db2.gz	BKFBDEGFKMAOLV-UHFFFAOYSA-N	-1	0	359.791	1.561	40	0		FDABRM
CC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(=O)n3[n-]2)C1	ZINC000257249830	526668469	/nfs/dbraw/zinc/66/84/69/526668469.db2.gz	JJYCVQFKHBZAGY-AWEZNQCLSA-N	-1	0	373.457	1.536	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)s1	ZINC000223305350	537523002	/nfs/dbraw/zinc/52/30/02/537523002.db2.gz	YJKORNXSDQXQPO-UHFFFAOYSA-N	-1	0	372.497	1.876	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000224930659	537542798	/nfs/dbraw/zinc/54/27/98/537542798.db2.gz	AFKSRSUTQFYDMC-UHFFFAOYSA-N	-1	0	356.429	1.942	40	0		FDABRM
COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O	ZINC000408548248	537849199	/nfs/dbraw/zinc/84/91/99/537849199.db2.gz	FCNPNWBWIXVNRC-MDWZMJQESA-N	-1	0	370.317	1.711	40	0		FDABRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)no1	ZINC000585273458	551576398	/nfs/dbraw/zinc/57/63/98/551576398.db2.gz	RMBDEBDTCVKUOT-UHFFFAOYSA-N	-1	0	367.408	1.269	40	0		FDABRM
COc1ccc(Br)cc1/C=C1/NC(=O)N(CC(=O)[O-])C1=O	ZINC000408591257	570572358	/nfs/dbraw/zinc/57/23/58/570572358.db2.gz	JGWFFJSBYLELKB-WEVVVXLNSA-N	-1	0	355.144	1.435	40	0		FDABRM
Cn1c2ccccc2n(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1=O	ZINC000653333074	570618334	/nfs/dbraw/zinc/61/83/34/570618334.db2.gz	KUMAZPVQHRXQHO-CABCVRRESA-N	-1	0	365.389	1.769	40	0		FDABRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2c(cc(F)c(F)c2F)s1	ZINC000284658024	571145627	/nfs/dbraw/zinc/14/56/27/571145627.db2.gz	DQSRUVWXZWALHS-YFKPBYRVSA-N	-1	0	367.374	1.932	40	0		FDABRM
CC1(C)S[C@H]2[C@H](NC(=O)Nc3ccc(Cl)cc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000005415536	219677207	/nfs/dbraw/zinc/67/72/07/219677207.db2.gz	LTLGHWWAISDESV-SCVCMEIPSA-N	-1	0	369.830	1.977	40	0		FDABRM
CCn1ncc(Cn2cc(NC(=O)[C@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])cn2)c1C	ZINC000006633849	219741714	/nfs/dbraw/zinc/74/17/14/219741714.db2.gz	PPQOYZMMWPSTTC-UGUYLWEFSA-N	-1	0	373.413	1.273	40	0		FDABRM
CCn1cc(C(=O)N2CCC(c3cc(=O)n4[n-]c(C)cc4n3)CC2)cn1	ZINC000257297514	223055085	/nfs/dbraw/zinc/05/50/85/223055085.db2.gz	RHOKWNCFAHXBJK-UHFFFAOYSA-N	-1	0	354.414	1.980	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1	ZINC000006741991	219764336	/nfs/dbraw/zinc/76/43/36/219764336.db2.gz	WYOAYKCLBQDJSK-XWSJACJDSA-N	-1	0	354.450	1.896	40	0		FDABRM
O=C([O-])CNc1nc(Nc2cccc(F)c2F)cc(-c2ccncc2)n1	ZINC000329038668	223131319	/nfs/dbraw/zinc/13/13/19/223131319.db2.gz	RUCVKYLZVSNFJI-UHFFFAOYSA-N	-1	0	357.320	1.901	40	0		FDABRM
O=C([O-])CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000013087120	220057794	/nfs/dbraw/zinc/05/77/94/220057794.db2.gz	KXFXADUVAAROCT-UHFFFAOYSA-N	-1	0	363.391	1.911	40	0		FDABRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(CN2CCOCC2)cc1	ZINC000019584027	220276821	/nfs/dbraw/zinc/27/68/21/220276821.db2.gz	BKJFONJWHMMYHL-UHFFFAOYSA-N	-1	0	350.444	1.362	40	0		FDABRM
COCC(=O)N1CCC(Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)CC1	ZINC000257277321	533055282	/nfs/dbraw/zinc/05/52/82/533055282.db2.gz	NXMMHBAILFDFMN-UHFFFAOYSA-N	-1	0	370.409	1.664	40	0		FDABRM
CNc1nccnc1[C@@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC000257270023	533088935	/nfs/dbraw/zinc/08/89/35/533088935.db2.gz	MSMQPRYSLPMUJT-HNNXBMFYSA-N	-1	0	358.398	1.555	40	0		FDABRM
COc1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)c1	ZINC000257250693	533404125	/nfs/dbraw/zinc/40/41/25/533404125.db2.gz	JNPFAXCOGSAKAF-IAGOWNOFSA-N	-1	0	357.362	1.658	40	0		FDABRM
COc1cccc(CNc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)c1	ZINC000328970336	533485766	/nfs/dbraw/zinc/48/57/66/533485766.db2.gz	DJELWSJUHIHCPK-UHFFFAOYSA-N	-1	0	365.393	1.500	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1N1CCOCC1	ZINC000217628334	132272388	/nfs/dbraw/zinc/27/23/88/132272388.db2.gz	WDURAOZJEGCHEG-UHFFFAOYSA-N	-1	0	366.395	1.293	40	0		FDABRM
O=C([O-])[C@@]12CN(c3nncs3)C[C@@H]1CN(C(=O)CC1CC1)CCC2	ZINC000096185243	222070807	/nfs/dbraw/zinc/07/08/07/222070807.db2.gz	ZJVHOFAOJMZHDI-LRDDRELGSA-N	-1	0	350.444	1.468	40	0		FDABRM
CCc1c(C)nc2cc(C3CCN(C(=O)c4nc[nH]n4)CC3)[n-]n2c1=O	ZINC000100137547	222235649	/nfs/dbraw/zinc/23/56/49/222235649.db2.gz	YDCFVMDBXHGDCP-UHFFFAOYSA-N	-1	0	355.402	1.444	40	0		FDABRM
COc1ccc([C@H](Cc2ccccc2)C2(O)C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001613378	518234691	/nfs/dbraw/zinc/23/46/91/518234691.db2.gz	UUMIUSRDNTYCEK-HNNXBMFYSA-N	-1	0	354.362	1.119	40	0		FDABRM
CCC[C@H](N[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21)C(=O)OCC	ZINC000003831298	518280123	/nfs/dbraw/zinc/28/01/23/518280123.db2.gz	IPVQLZZIHOAWMC-ZVDSWSACSA-N	-1	0	368.474	1.941	40	0		FDABRM
C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@H]12	ZINC000004040864	518283245	/nfs/dbraw/zinc/28/32/45/518283245.db2.gz	LXIQMFKOABADKQ-SMWSNZAOSA-N	-1	0	357.362	1.411	40	0		FDABRM
COC(=O)Cn1c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c2c1C	ZINC000012406730	518610632	/nfs/dbraw/zinc/61/06/32/518610632.db2.gz	FUJGAWCMCAOKJN-UHFFFAOYSA-N	-1	0	370.390	1.572	40	0		FDABRM
COc1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1Cl	ZINC000036182825	519617989	/nfs/dbraw/zinc/61/79/89/519617989.db2.gz	RXXILMVNFLZFMP-UHFFFAOYSA-N	-1	0	362.820	1.959	40	0		FDABRM
Cc1nc([C@H]2COCCN2Cc2ccccc2OCC(=O)[O-])cc(=O)[nH]1	ZINC000257277185	534503022	/nfs/dbraw/zinc/50/30/22/534503022.db2.gz	NWTXQYHSQVNJRY-OAHLLOKOSA-N	-1	0	359.382	1.528	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@@H]1CCCO1	ZINC000217532898	522625870	/nfs/dbraw/zinc/62/58/70/522625870.db2.gz	YFRFGPHQMIDODB-AAEUAGOBSA-N	-1	0	372.443	1.289	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NCCO	ZINC000217585865	526355396	/nfs/dbraw/zinc/35/53/96/526355396.db2.gz	PSEDNTNDHNHIBK-UHFFFAOYSA-N	-1	0	368.455	1.958	40	0		FDABRM
COC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000217636091	537455252	/nfs/dbraw/zinc/45/52/52/537455252.db2.gz	HLBSKKFMRVRACK-NWDGAFQWSA-N	-1	0	372.443	1.289	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCCO)ccc1NCCC1=CCCCC1	ZINC000217589525	537455364	/nfs/dbraw/zinc/45/53/64/537455364.db2.gz	HBRDSIZDHSIQPJ-UHFFFAOYSA-N	-1	0	368.455	1.958	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)s1	ZINC000223771086	537532735	/nfs/dbraw/zinc/53/27/35/537532735.db2.gz	HGPLAZNFFHVPFT-UHFFFAOYSA-N	-1	0	369.472	1.301	40	0		FDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cccnc2)s1)c1ccccc1	ZINC000223908712	537536227	/nfs/dbraw/zinc/53/62/27/537536227.db2.gz	UGEPCFIJESKDGU-UHFFFAOYSA-N	-1	0	361.408	1.986	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC)s1	ZINC000224281076	537541099	/nfs/dbraw/zinc/54/10/99/537541099.db2.gz	BRJNOHZKJWBWPI-VIFPVBQESA-N	-1	0	370.456	1.935	40	0		FDABRM
COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409129917	570730121	/nfs/dbraw/zinc/73/01/21/570730121.db2.gz	SUDPNDXIFQJAGX-MDWZMJQESA-N	-1	0	367.379	1.841	40	0		FDABRM
CN1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C(=O)[O-])CC1	ZINC000256049139	571321625	/nfs/dbraw/zinc/32/16/25/571321625.db2.gz	YJROOLOZLPPRMS-UHFFFAOYSA-N	-1	0	355.320	1.736	40	0		FDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)COC	ZINC000217531438	222672052	/nfs/dbraw/zinc/67/20/52/222672052.db2.gz	WTGKKYSYUXZYHH-LLVKDONJSA-N	-1	0	360.432	1.146	40	0		FDABRM
Cn1cc([N-]S(=O)(=O)c2cccs2)c(C(=O)NCc2ccco2)n1	ZINC000002804452	219466913	/nfs/dbraw/zinc/46/69/13/219466913.db2.gz	FQZPDSKNIDMFMY-UHFFFAOYSA-N	-1	0	366.424	1.805	40	0		FDABRM
Cn1cc(NC(=O)c2nc(NC(=O)OC(C)(C)C)cn2C)nc1C(=O)[O-]	ZINC000004243576	219557479	/nfs/dbraw/zinc/55/74/79/219557479.db2.gz	OHFVKDSWUQRLDK-UHFFFAOYSA-N	-1	0	364.362	1.451	40	0		FDABRM
O=C([O-])c1ccccc1NC=c1sc2nc(-c3ccncc3)nn2c1=O	ZINC000256027843	223001594	/nfs/dbraw/zinc/00/15/94/223001594.db2.gz	FXKDHUKCURUYEW-LCYFTJDESA-N	-1	0	365.374	1.480	40	0		FDABRM
CS(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257283226	223050024	/nfs/dbraw/zinc/05/00/24/223050024.db2.gz	OXIMOCXVTQAQCE-GFCCVEGCSA-N	-1	0	361.423	1.666	40	0		FDABRM
O=C([O-])COc1ccc(CN2CCOC[C@@H]2CCc2cnccn2)cc1	ZINC000257285767	223051629	/nfs/dbraw/zinc/05/16/29/223051629.db2.gz	PITHXDMJXHHPFL-KRWDZBQOSA-N	-1	0	357.410	1.774	40	0		FDABRM
C[C@@]1(C(N)=O)CN(Cc2ccc(-c3ccccc3C(=O)[O-])cn2)CCO1	ZINC000257312029	223062384	/nfs/dbraw/zinc/06/23/84/223062384.db2.gz	UMDMWKIVRMUWMZ-IBGZPJMESA-N	-1	0	355.394	1.523	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257336700	223071145	/nfs/dbraw/zinc/07/11/45/223071145.db2.gz	YPQHMJBKAXRFAC-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cccc(F)c3)cc(=O)n2[n-]1	ZINC000019129795	220238016	/nfs/dbraw/zinc/23/80/16/220238016.db2.gz	GLHCONSJMWCLLD-SNVBAGLBSA-N	-1	0	350.375	1.922	40	0		FDABRM
O=C([C@@H]1CCCO1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000019375625	220255438	/nfs/dbraw/zinc/25/54/38/220255438.db2.gz	DGQLQHYALHQQPQ-JSGCOSHPSA-N	-1	0	363.439	1.426	40	0		FDABRM
COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCCC1	ZINC000217533446	132272328	/nfs/dbraw/zinc/27/23/28/132272328.db2.gz	TZGZGPFTNLGVFJ-LBPRGKRZSA-N	-1	0	356.444	1.688	40	0		FDABRM
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)/C=C/C(=O)[O-]	ZINC000257277957	132296355	/nfs/dbraw/zinc/29/63/55/132296355.db2.gz	OADKITUXQRWJNX-RTLBZRNLSA-N	-1	0	370.409	1.060	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc2n1	ZINC000100137921	222236829	/nfs/dbraw/zinc/23/68/29/222236829.db2.gz	YAOSEVNRPXOGHN-UONOGXRCSA-N	-1	0	371.441	1.460	40	0		FDABRM
CCc1[n-]n2c(nc([C@@H]3CCN(C(=O)c4ccnn4C)C3)cc2=O)c1C	ZINC000100147053	222237415	/nfs/dbraw/zinc/23/74/15/222237415.db2.gz	KSKNJNSRTUTSLZ-GFCCVEGCSA-N	-1	0	354.414	1.669	40	0		FDABRM
Cc1ccc(NC(=O)c2c[n-]n3c2nc([C@H]2CC(=O)N(C)C2)cc3=O)cc1	ZINC000100775559	222252803	/nfs/dbraw/zinc/25/28/03/222252803.db2.gz	GPIQLNMOVUEQBQ-LBPRGKRZSA-N	-1	0	365.393	1.941	40	0		FDABRM
O=C([O-])CCCNC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1	ZINC000103466487	222336496	/nfs/dbraw/zinc/33/64/96/222336496.db2.gz	AWKLWWKYLKKZCN-OKILXGFUSA-N	-1	0	374.441	1.761	40	0		FDABRM
Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3	ZINC000101753451	222284577	/nfs/dbraw/zinc/28/45/77/222284577.db2.gz	MPMGYYYSXBITBB-BBOFZKNUSA-N	-1	0	353.374	1.826	40	0		FDABRM
CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O	ZINC000102619005	222302498	/nfs/dbraw/zinc/30/24/98/222302498.db2.gz	QOFQTBTZCJVITI-JTQLQIEISA-N	-1	0	371.827	1.621	40	0		FDABRM
O=C([O-])CCOCCOCCOCCOCCOCc1ccccc1	ZINC000104530214	222359159	/nfs/dbraw/zinc/35/91/59/222359159.db2.gz	PEKSQIHLMQRCNM-UHFFFAOYSA-N	-1	0	356.415	1.744	40	0		FDABRM
CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)[O-])cn21	ZINC000105107764	222365405	/nfs/dbraw/zinc/36/54/05/222365405.db2.gz	XPTDOZIWEFWWDM-OAHLLOKOSA-N	-1	0	352.398	1.311	40	0		FDABRM
CCOc1ccc(NC(=O)C(=O)C2=S([O-])c3ccccc3NC2=O)cc1	ZINC000005834523	518355377	/nfs/dbraw/zinc/35/53/77/518355377.db2.gz	WSIBVDIYOZHPHF-AKJBCIBTSA-N	-1	0	372.402	1.721	40	0		FDABRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)c1c[nH]c2ccccc12	ZINC000006576285	518377067	/nfs/dbraw/zinc/37/70/67/518377067.db2.gz	YOEMWLPRWFIQCU-INIZCTEOSA-N	-1	0	352.346	1.868	40	0		FDABRM
COC(=O)C(=C([O-])C(=O)Nc1cccc(C)c1)c1nc(=N)ss1	ZINC000008653663	518480932	/nfs/dbraw/zinc/48/09/32/518480932.db2.gz	XZTWGMCHNSSQNF-SECBINFHSA-O	-1	0	352.417	1.841	40	0		FDABRM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C	ZINC000024347783	518988366	/nfs/dbraw/zinc/98/83/66/518988366.db2.gz	KMXYARXURVDGLN-UHFFFAOYSA-N	-1	0	353.400	1.468	40	0		FDABRM
O=C([O-])c1ccc(CN2CCN3C(=O)N(Cc4cccnc4)C[C@H]3C2)cc1	ZINC000085436173	524357550	/nfs/dbraw/zinc/35/75/50/524357550.db2.gz	VJCFAWQDOVUTAC-GOSISDBHSA-N	-1	0	366.421	1.902	40	0	biogenic,in-vitro	FDABRM
CC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1	ZINC000257224849	528672455	/nfs/dbraw/zinc/67/24/55/528672455.db2.gz	FDRKLWJDRREETM-HZPDHXFCSA-N	-1	0	359.382	1.427	40	0		FDABRM
O=C([O-])COCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21	ZINC000247389907	537115112	/nfs/dbraw/zinc/11/51/12/537115112.db2.gz	LBTDMFSDZAXFGR-CQSZACIVSA-N	-1	0	357.362	1.851	40	0		FDABRM
COCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1	ZINC000224036883	537537825	/nfs/dbraw/zinc/53/78/25/537537825.db2.gz	PQMOURNHXQBGJL-UHFFFAOYSA-N	-1	0	364.423	1.872	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSCc2ccccc2)s1	ZINC000225628099	537555306	/nfs/dbraw/zinc/55/53/06/537555306.db2.gz	XCPJFIYQBWQZAH-UHFFFAOYSA-N	-1	0	372.497	1.708	40	0		FDABRM
CCOCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000225789914	537560750	/nfs/dbraw/zinc/56/07/50/537560750.db2.gz	GZAGCHHVMNGVLZ-UHFFFAOYSA-N	-1	0	370.456	1.495	40	0		FDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3ccccc3F)ccc21	ZINC000585271715	551576541	/nfs/dbraw/zinc/57/65/41/551576541.db2.gz	JKCZXIHVHHVNRH-UHFFFAOYSA-N	-1	0	366.395	1.858	40	0		FDABRM
Cn1cccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000585281749	551578784	/nfs/dbraw/zinc/57/87/84/551578784.db2.gz	ALGJQUDLYXIONQ-UHFFFAOYSA-N	-1	0	351.409	1.057	40	0		FDABRM
CNc1nc(-c2ccccn2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1	ZINC000328958974	571130655	/nfs/dbraw/zinc/13/06/55/571130655.db2.gz	AROGDVQQRIPDPH-UHFFFAOYSA-N	-1	0	372.410	2.266	40	0		FDABRM
Cc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)cc1	ZINC000257298250	223056427	/nfs/dbraw/zinc/05/64/27/223056427.db2.gz	RKWJRLUBCAQHHL-QZTJIDSGSA-N	-1	0	370.405	1.756	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2nccnc2-c2cccc(C(=O)[O-])c2)C1	ZINC000257329670	223068734	/nfs/dbraw/zinc/06/87/34/223068734.db2.gz	XKYRPNROLWBZIW-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cccc(F)c2)cc(-c2ccccn2)n1	ZINC000329008074	223128038	/nfs/dbraw/zinc/12/80/38/223128038.db2.gz	LOEPDDXATRYKHI-UHFFFAOYSA-N	-1	0	353.357	1.630	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F	ZINC000013073604	220056372	/nfs/dbraw/zinc/05/63/72/220056372.db2.gz	JWFAYINPNFMUNZ-UHFFFAOYSA-N	-1	0	353.327	1.731	40	0		FDABRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1OC	ZINC000015931868	220172631	/nfs/dbraw/zinc/17/26/31/220172631.db2.gz	MXXSYVOWIZCUCU-YWEYNIOJSA-N	-1	0	374.134	1.489	40	0		FDABRM
Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])C[C@H]3C(=O)CCCC[C@H]32)cc1	ZINC000095951669	221977417	/nfs/dbraw/zinc/97/74/17/221977417.db2.gz	QMXFQRZVLDYMQF-RBSFLKMASA-N	-1	0	351.424	1.971	40	0		FDABRM
Cc1nc2cc(C3CCN(C(=O)c4cnccn4)CC3)[n-]n2c(=O)c1C	ZINC000100137283	222235862	/nfs/dbraw/zinc/23/58/62/222235862.db2.gz	ORLDSEOWSGPGST-UHFFFAOYSA-N	-1	0	352.398	1.862	40	0		FDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCN(C(=O)Cc4nonc4C)C3)cc2n1	ZINC000100138165	222237084	/nfs/dbraw/zinc/23/70/84/222237084.db2.gz	XREWQQIPDMQCLZ-GFCCVEGCSA-N	-1	0	370.413	1.637	40	0		FDABRM
O=C(c1cn[nH]n1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138658	222237376	/nfs/dbraw/zinc/23/73/76/222237376.db2.gz	NKGWOFBOFRDPTM-NSHDSACASA-N	-1	0	367.413	1.452	40	0		FDABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000032646508	263393331	/nfs/dbraw/zinc/39/33/31/263393331.db2.gz	PCYUPUYLOGMPHJ-RDJZCZTQSA-N	-1	0	352.390	1.852	40	0		FDABRM
CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000034862946	263397573	/nfs/dbraw/zinc/39/75/73/263397573.db2.gz	KOSFCNDKMPLCEK-BVIHXZOGSA-N	-1	0	364.423	1.446	40	0		FDABRM
COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)[O-])C1=O	ZINC000008092045	518452851	/nfs/dbraw/zinc/45/28/51/518452851.db2.gz	NXFNDRNORQJAHW-IZZDOVSWSA-N	-1	0	351.336	1.359	40	0		FDABRM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1	ZINC000257265300	534545739	/nfs/dbraw/zinc/54/57/39/534545739.db2.gz	LYCHEZRTVMUAQB-QZTJIDSGSA-N	-1	0	355.390	1.968	40	0		FDABRM
COc1cc(OC)cc(C(=O)NC(=S)[N-]n2c(C)nnc2SC)c1	ZINC000107758816	525917481	/nfs/dbraw/zinc/91/74/81/525917481.db2.gz	OSHZRNYPMOLVSO-UHFFFAOYSA-N	-1	0	367.456	1.584	40	0		FDABRM
Cc1coc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000000596282	526292137	/nfs/dbraw/zinc/29/21/37/526292137.db2.gz	DLVZMAABIXCZHP-UHFFFAOYSA-N	-1	0	359.357	1.943	40	0	in-vitro	FDABRM
COCCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000217632276	537455039	/nfs/dbraw/zinc/45/50/39/537455039.db2.gz	UNRVBAYJTLIDGZ-GFCCVEGCSA-N	-1	0	372.443	1.291	40	0		FDABRM
COCCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217598170	537455928	/nfs/dbraw/zinc/45/59/28/537455928.db2.gz	IKGFGFAOSGSNBH-UHFFFAOYSA-N	-1	0	354.384	1.515	40	0		FDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccco2)s1)c1ccccc1	ZINC000223668499	537530761	/nfs/dbraw/zinc/53/07/61/537530761.db2.gz	IVUSNUMVWLQTDD-UHFFFAOYSA-N	-1	0	364.408	1.862	40	0		FDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCn2ccnc2)s1	ZINC000224255187	537539907	/nfs/dbraw/zinc/53/99/07/537539907.db2.gz	DDXNTLHSIDCTNF-UHFFFAOYSA-N	-1	0	372.476	1.088	40	0		FDABRM
COCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	ZINC000225026995	537541463	/nfs/dbraw/zinc/54/14/63/537541463.db2.gz	CXPYAYBSXDFZMU-UHFFFAOYSA-N	-1	0	370.456	1.414	40	0		FDABRM
COCC[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	ZINC000224422765	537541685	/nfs/dbraw/zinc/54/16/85/537541685.db2.gz	HTCLEFMKCXLONL-UHFFFAOYSA-N	-1	0	356.429	1.024	40	0		FDABRM
O=C([O-])CN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O	ZINC000408592400	570573115	/nfs/dbraw/zinc/57/31/15/570573115.db2.gz	KFVFMNPQCOEGHM-QPIMQUGISA-N	-1	0	369.127	1.155	40	0		FDABRM
COc1cc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc(C(=O)[O-])c1OC	ZINC000392255259	571151383	/nfs/dbraw/zinc/15/13/83/571151383.db2.gz	ZYDGVCXHLZGHTN-UHFFFAOYSA-N	-1	0	355.372	1.245	40	0		FDABRM
O=C([O-])CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224831396	222821470	/nfs/dbraw/zinc/82/14/70/222821470.db2.gz	HPKIPPDELGPDPX-UHFFFAOYSA-N	-1	0	367.354	1.877	40	0		FDABRM
C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@H]12	ZINC000004040870	219536710	/nfs/dbraw/zinc/53/67/10/219536710.db2.gz	LXIQMFKOABADKQ-XYLOUCLTSA-N	-1	0	357.362	1.411	40	0		FDABRM
COCC(=O)N1CC[C@@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257211611	223021795	/nfs/dbraw/zinc/02/17/95/223021795.db2.gz	BZNGHLJZSHRMFI-ZDUSSCGKSA-N	-1	0	355.394	1.879	40	0		FDABRM
CC(=O)NC(=S)Nc1ccc(I)cc1C(=O)[O-]	ZINC000016320916	220182825	/nfs/dbraw/zinc/18/28/25/220182825.db2.gz	ZUJPBWDULWDOPQ-UHFFFAOYSA-N	-1	0	364.164	1.822	40	0		FDABRM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O)C(=O)[O-]	ZINC000016899687	220195097	/nfs/dbraw/zinc/19/50/97/220195097.db2.gz	JZIWFGRTZHUIMN-OLZOCXBDSA-N	-1	0	364.423	1.258	40	0		FDABRM
COCC(=O)N1CCC(Cc2nccnc2-c2cncc(C(=O)[O-])c2)CC1	ZINC000257302693	533055725	/nfs/dbraw/zinc/05/57/25/533055725.db2.gz	SDXKWTDSXQELLB-UHFFFAOYSA-N	-1	0	370.409	1.664	40	0		FDABRM
CCc1ccccc1N1C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000101273611	222266650	/nfs/dbraw/zinc/26/66/50/222266650.db2.gz	QAGMTQJEGQWSIB-GXTWGEPZSA-N	-1	0	364.423	1.203	40	0		FDABRM
Cc1cc(=O)n2[n-]c([C@H]3CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc2n1	ZINC000100137923	222237617	/nfs/dbraw/zinc/23/76/17/222237617.db2.gz	YAOSEVNRPXOGHN-KBPBESRZSA-N	-1	0	371.441	1.460	40	0		FDABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2	ZINC000100870003	222255583	/nfs/dbraw/zinc/25/55/83/222255583.db2.gz	YSWNWJUKLUOERO-MCYUEQNJSA-N	-1	0	350.168	1.820	40	0		FDABRM
CC[C@H]1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C[C@]2(CCOC2)O1	ZINC000368445096	260184010	/nfs/dbraw/zinc/18/40/10/260184010.db2.gz	FQDWIZMDSQDYHY-HZMBPMFUSA-N	-1	0	361.441	1.405	40	0		FDABRM
CCOC(=O)c1nn2c([n-]1)nc(CSc1nc(C)cc(C)n1)cc2=O	ZINC000010157033	263363610	/nfs/dbraw/zinc/36/36/10/263363610.db2.gz	SKFNXNGNYMXRLS-UHFFFAOYSA-N	-1	0	360.399	1.293	40	0		FDABRM
CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000034862948	263397854	/nfs/dbraw/zinc/39/78/54/263397854.db2.gz	KOSFCNDKMPLCEK-PKIAMQTDSA-N	-1	0	364.423	1.446	40	0		FDABRM
C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)C(=O)[O-]	ZINC000005593517	518349913	/nfs/dbraw/zinc/34/99/13/518349913.db2.gz	RYPYDCCATVFVDF-JTQLQIEISA-N	-1	0	374.422	1.047	40	0		FDABRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)ccc1O	ZINC000006630753	518379099	/nfs/dbraw/zinc/37/90/99/518379099.db2.gz	BCYHYVQBTUGRQT-MDWZMJQESA-N	-1	0	353.334	1.852	40	0		FDABRM
C[C@H](NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1)C(=O)[O-]	ZINC000006681679	518382234	/nfs/dbraw/zinc/38/22/34/518382234.db2.gz	AGGYNAOMOXGEGS-VIFPVBQESA-N	-1	0	354.409	1.752	40	0		FDABRM
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000011635266	518566728	/nfs/dbraw/zinc/56/67/28/518566728.db2.gz	GFICXZDAHSHOHM-UHFFFAOYSA-N	-1	0	363.351	1.369	40	0		FDABRM
CC[C@@H](NC(=O)Cc1c(C)nc2[n-]c(C)nn2c1=O)c1ccc(F)cc1	ZINC000012199969	518597356	/nfs/dbraw/zinc/59/73/56/518597356.db2.gz	DENZOROUIKROSB-OAHLLOKOSA-N	-1	0	357.389	1.984	40	0		FDABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000023711578	518963019	/nfs/dbraw/zinc/96/30/19/518963019.db2.gz	FKYYUMXJLVVNRU-GFCCVEGCSA-N	-1	0	362.407	1.628	40	0		FDABRM
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1	ZINC000027971136	519209785	/nfs/dbraw/zinc/20/97/85/519209785.db2.gz	MDWZJOLNEKNRRX-UHFFFAOYSA-N	-1	0	363.424	1.930	40	0		FDABRM
COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000042122882	519682564	/nfs/dbraw/zinc/68/25/64/519682564.db2.gz	RBDNIBRAEOWFRI-UHFFFAOYSA-N	-1	0	365.363	1.981	40	0		FDABRM
O=C([O-])c1ccc(O[C@@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@H]2O)cc1	ZINC000257222570	534546721	/nfs/dbraw/zinc/54/67/21/534546721.db2.gz	DTUKGUMMSVYLOH-HZPDHXFCSA-N	-1	0	359.382	1.081	40	0		FDABRM
COC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217629161	522630759	/nfs/dbraw/zinc/63/07/59/522630759.db2.gz	PQZIMCBAGAUQLY-NSHDSACASA-N	-1	0	368.411	1.903	40	0		FDABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000217516853	535075693	/nfs/dbraw/zinc/07/56/93/535075693.db2.gz	UZEWFRDROBKALZ-UHFFFAOYSA-N	-1	0	356.444	1.690	40	0		FDABRM
O=C([O-])CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1	ZINC000224916759	537542652	/nfs/dbraw/zinc/54/26/52/537542652.db2.gz	HMJQARSYCXMEKE-UHFFFAOYSA-N	-1	0	367.354	1.877	40	0		FDABRM
COC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000408549214	537848333	/nfs/dbraw/zinc/84/83/33/537848333.db2.gz	QWLXVUVIKDUZJN-NTEUORMPSA-N	-1	0	369.333	1.241	40	0		FDABRM
Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1	ZINC000585273019	551576573	/nfs/dbraw/zinc/57/65/73/551576573.db2.gz	QHRFLBROYXICNV-UHFFFAOYSA-N	-1	0	352.393	1.506	40	0		FDABRM
O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585271532	551576575	/nfs/dbraw/zinc/57/65/75/551576575.db2.gz	IGQKTEPLLGQUTG-UHFFFAOYSA-N	-1	0	364.354	1.204	40	0		FDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cncs3)cc2NC1=O	ZINC000585281408	551578770	/nfs/dbraw/zinc/57/87/70/551578770.db2.gz	IZXSXADGBPMEOY-SNVBAGLBSA-N	-1	0	367.408	1.371	40	0		FDABRM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000223278035	568633716	/nfs/dbraw/zinc/63/37/16/568633716.db2.gz	NCAYEAZKEZLMIW-UHFFFAOYSA-N	-1	0	364.423	1.929	40	0		FDABRM
CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000409136177	570731069	/nfs/dbraw/zinc/73/10/69/570731069.db2.gz	UAWKPVDLASGNRR-KPKJPENVSA-N	-1	0	365.363	1.749	40	0		FDABRM
CCc1nc(C)c(CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)[nH]1	ZINC000257204874	529723229	/nfs/dbraw/zinc/72/32/29/529723229.db2.gz	AWQUAUYFEKPODW-IAGOWNOFSA-N	-1	0	359.426	1.532	40	0		FDABRM
CNC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1	ZINC000257220672	529928741	/nfs/dbraw/zinc/92/87/41/529928741.db2.gz	DLRDQCYERSSMAS-GOSISDBHSA-N	-1	0	354.406	1.999	40	0		FDABRM
Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2	ZINC000225746084	222865383	/nfs/dbraw/zinc/86/53/83/222865383.db2.gz	HTSWKCQLFDXXHD-YGNMPJRFSA-N	-1	0	373.331	1.371	40	0		FDABRM
Cc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccc(C)c(N)c2)cc1N	ZINC000255188701	222997921	/nfs/dbraw/zinc/99/79/21/222997921.db2.gz	KZUMPWATKXAELA-UHFFFAOYSA-N	-1	0	355.441	1.135	40	0		FDABRM
COCC(=O)N1CC[C@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257211610	223021772	/nfs/dbraw/zinc/02/17/72/223021772.db2.gz	BZNGHLJZSHRMFI-CYBMUJFWSA-N	-1	0	355.394	1.879	40	0		FDABRM
Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1	ZINC000257283835	223049714	/nfs/dbraw/zinc/04/97/14/223049714.db2.gz	PABLIEMHCMKRIQ-QZTJIDSGSA-N	-1	0	355.390	1.886	40	0		FDABRM
O=C([O-])CNc1nc(Nc2ccc(O)cc2Cl)cc(C(F)(F)F)n1	ZINC000329014343	223129077	/nfs/dbraw/zinc/12/90/77/223129077.db2.gz	MUSVCUAHXSXFQO-UHFFFAOYSA-N	-1	0	362.695	1.938	40	0		FDABRM
O=C([O-])[C@@H]1CS[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C(=O)N1	ZINC000020635132	220337671	/nfs/dbraw/zinc/33/76/71/220337671.db2.gz	MFAVDFJJNUTTEO-VHSXEESVSA-N	-1	0	362.329	1.719	40	0		FDABRM
CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257308876	533390439	/nfs/dbraw/zinc/39/04/39/533390439.db2.gz	TYOXGUGJFRUBBC-NSHDSACASA-N	-1	0	362.411	1.376	40	0		FDABRM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000217526892	132272425	/nfs/dbraw/zinc/27/24/25/132272425.db2.gz	MMGWREXBMPRRFH-LBPRGKRZSA-N	-1	0	356.444	1.688	40	0		FDABRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1O	ZINC000100280195	222241023	/nfs/dbraw/zinc/24/10/23/222241023.db2.gz	AACOISDOLSTGJP-CLTKARDFSA-N	-1	0	360.107	1.186	40	0		FDABRM
C[C@H](NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000103646469	222341288	/nfs/dbraw/zinc/34/12/88/222341288.db2.gz	APPXEXAKZPGVKC-RWMBFGLXSA-N	-1	0	373.409	1.086	40	0		FDABRM
Cc1cc(C)n([N-]C(=O)c2cc(-c3cccs3)on2)c(=O)c1C(N)=O	ZINC000002806792	518251017	/nfs/dbraw/zinc/25/10/17/518251017.db2.gz	LFCCEHLOCJMWCM-UHFFFAOYSA-N	-1	0	358.379	1.664	40	0		FDABRM
COc1cccc2c1OC(=O)[C@@H]1[C@H]2c2sc(=O)[nH]c2S[C@@H]1C(=O)[O-]	ZINC000004042644	518285386	/nfs/dbraw/zinc/28/53/86/518285386.db2.gz	DYFKIRSJFMIWQT-RNSXUZJQSA-N	-1	0	365.388	1.671	40	0		FDABRM
CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])n1	ZINC000005796325	518355128	/nfs/dbraw/zinc/35/51/28/518355128.db2.gz	ZCQOKTUHTJWITP-DTVLGXAZSA-N	-1	0	352.412	1.934	40	0		FDABRM
O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1	ZINC000008030025	518450805	/nfs/dbraw/zinc/45/08/05/518450805.db2.gz	IGBKIFAMPXDHJG-UHFFFAOYSA-N	-1	0	353.327	1.731	40	0		FDABRM
COC(=O)CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000008091989	518453419	/nfs/dbraw/zinc/45/34/19/518453419.db2.gz	FPZZNKLDESGGEC-YHYXMXQVSA-N	-1	0	354.365	1.675	40	0		FDABRM
COC(=O)C(=C([O-])C(=O)Nc1cccc(C)c1)c1nc(=N)ss1	ZINC000008653662	518480069	/nfs/dbraw/zinc/48/00/69/518480069.db2.gz	XZTWGMCHNSSQNF-VIFPVBQESA-O	-1	0	352.417	1.841	40	0		FDABRM
CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@@H]1CCCO1	ZINC000217424738	519749212	/nfs/dbraw/zinc/74/92/12/519749212.db2.gz	MJZXXJZGIHJLAN-ZDUSSCGKSA-N	-1	0	356.444	1.910	40	0		FDABRM
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000044136038	521925177	/nfs/dbraw/zinc/92/51/77/521925177.db2.gz	PSRCBRUPIDLBSA-LRDDRELGSA-N	-1	0	356.378	1.323	40	0	in-vitro	FDABRM
Cc1cc([N-]c2nncs2)nc([C@H]2CCCN(S(C)(=O)=O)C2)n1	ZINC000072360006	522224220	/nfs/dbraw/zinc/22/42/20/522224220.db2.gz	XTPRCDISOXWWDU-JTQLQIEISA-N	-1	0	354.461	1.519	40	0		FDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1NCCCO	ZINC000217626821	537455748	/nfs/dbraw/zinc/45/57/48/537455748.db2.gz	NJOJSOCLOUMAAK-UHFFFAOYSA-N	-1	0	354.384	1.251	40	0		FDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@H]2C=C[C@@H]1O2	ZINC000225635153	537555273	/nfs/dbraw/zinc/55/52/73/537555273.db2.gz	JFUOZIQMCIFVJZ-SGESZLJQSA-N	-1	0	368.433	1.498	40	0		FDABRM
COC(=O)c1ccccc1NC(=O)c1sc([N-]S(C)(=O)=O)nc1C	ZINC000225878250	537563312	/nfs/dbraw/zinc/56/33/12/537563312.db2.gz	SNQCTYCGPYZWNX-UHFFFAOYSA-N	-1	0	369.424	1.862	40	0		FDABRM
CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)(C(=O)[O-])C1	ZINC000306684725	537605429	/nfs/dbraw/zinc/60/54/29/537605429.db2.gz	IOIXAUZTESBAQD-UHFFFAOYSA-N	-1	0	350.371	1.987	40	0		FDABRM
COC(=O)c1ccccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)o1	ZINC000408593488	570575074	/nfs/dbraw/zinc/57/50/74/570575074.db2.gz	PXXXGHARYFTYFF-MDWZMJQESA-N	-1	0	370.317	1.711	40	0		FDABRM
COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409130014	570730135	/nfs/dbraw/zinc/73/01/35/570730135.db2.gz	HZHWOEMOVQUQLR-LFYBBSHMSA-N	-1	0	353.352	1.833	40	0		FDABRM
CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)CCCC(=O)[O-]	ZINC000257247296	529973563	/nfs/dbraw/zinc/97/35/63/529973563.db2.gz	IYIKAKUZVHWQSW-LJQANCHMSA-N	-1	0	372.425	1.284	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)s1	ZINC000224684760	222818512	/nfs/dbraw/zinc/81/85/12/222818512.db2.gz	HOJZVGUEQSAAEY-UHFFFAOYSA-N	-1	0	354.413	1.890	40	0		FDABRM
COCC(=O)N1CCC[C@@H](c2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257235043	223032500	/nfs/dbraw/zinc/03/25/00/223032500.db2.gz	GWELOJSXZYTCJI-GFCCVEGCSA-N	-1	0	356.382	1.589	40	0		FDABRM
Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1	ZINC000257242814	223034285	/nfs/dbraw/zinc/03/42/85/223034285.db2.gz	IEGPWNXCRDCCBK-QZTJIDSGSA-N	-1	0	355.390	1.886	40	0		FDABRM
O=C([O-])CNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccnc2)n1	ZINC000329050629	223131271	/nfs/dbraw/zinc/13/12/71/223131271.db2.gz	UTXXPNISRTXYFV-UHFFFAOYSA-N	-1	0	371.347	1.769	40	0		FDABRM
O=C([O-])CNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccnc2)n1	ZINC000329000706	223128539	/nfs/dbraw/zinc/12/85/39/223128539.db2.gz	KCEQCPLYOUFJQV-UHFFFAOYSA-N	-1	0	371.347	1.769	40	0		FDABRM
Cc1nonc1CC(=O)N1CCC[C@@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1	ZINC000012154025	219960670	/nfs/dbraw/zinc/96/06/70/219960670.db2.gz	DEUPTDXGJGCKBQ-CQSZACIVSA-N	-1	0	356.386	1.649	40	0		FDABRM
CCc1ccccc1N1C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000016899725	220195930	/nfs/dbraw/zinc/19/59/30/220195930.db2.gz	QAGMTQJEGQWSIB-OCCSQVGLSA-N	-1	0	364.423	1.203	40	0		FDABRM
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1	ZINC000545555966	541998757	/nfs/dbraw/zinc/99/87/57/541998757.db2.gz	OPYVFAMINYIPNJ-LBPRGKRZSA-N	-1	0	354.428	1.394	40	0		FDABRM
COc1cc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)cc(OC)c1	ZINC000329055436	532963561	/nfs/dbraw/zinc/96/35/61/532963561.db2.gz	VOCLDTSTCZBHLZ-UHFFFAOYSA-N	-1	0	372.303	1.597	40	0		FDABRM
CS(=O)(=O)N1CC[C@@H](Cc2ccnc(-c3cncc(C(=O)[O-])c3)c2)C1	ZINC000257330804	533395002	/nfs/dbraw/zinc/39/50/02/533395002.db2.gz	XQDJMHURDGJGAH-ZDUSSCGKSA-N	-1	0	361.423	1.666	40	0		FDABRM
Cn1c2ccccc2c([O-])c([C@H]2NN=C3c4ccccc4N(C)C(=O)[C@H]32)c1=O	ZINC000100361610	132232304	/nfs/dbraw/zinc/23/23/04/132232304.db2.gz	SKVUSAKIFXNQAN-QAPCUYQASA-N	-1	0	374.400	1.885	40	0		FDABRM
Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4CC[C@@H]3O4)C[C@@H]2C)cc1	ZINC000226977967	132287925	/nfs/dbraw/zinc/28/79/25/132287925.db2.gz	FUMBRRPVZRBAAB-MWTISTBLSA-N	-1	0	358.438	1.910	40	0		FDABRM
O=C([O-])c1ccc[n+](CC[C@@H](NC(=O)/C=C/c2ccc(O)cc2)C(=O)[O-])c1	ZINC000077257588	221598554	/nfs/dbraw/zinc/59/85/54/221598554.db2.gz	MAGGNDAVKNPXCA-MRXNPFEDSA-O	-1	0	371.369	1.051	40	0	biogenic,in-vitro	FDABRM
Cc1nnsc1C(=O)N1CCC[C@@H](c2cc3nc(C)cc(=O)n3[n-]2)C1	ZINC000100137874	222237674	/nfs/dbraw/zinc/23/76/74/222237674.db2.gz	KDXCWRYMIQRABV-LLVKDONJSA-N	-1	0	358.427	1.923	40	0		FDABRM
CCOC(=O)CCc1c(C)[nH]c2[n-]n(-c3ccc(OC)cc3)c(=O)c2c1=O	ZINC000017076067	263372251	/nfs/dbraw/zinc/37/22/51/263372251.db2.gz	FUUXGEZZSYYKCZ-UHFFFAOYSA-N	-1	0	371.393	1.820	40	0		FDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)c(OC)c1	ZINC000408723784	263491019	/nfs/dbraw/zinc/49/10/19/263491019.db2.gz	MLKWRHHKGZPCFL-UHFFFAOYSA-N	-1	0	365.407	1.979	40	0		FDABRM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000004535359	518303802	/nfs/dbraw/zinc/30/38/02/518303802.db2.gz	NXEMZXBNHFUICE-NSHDSACASA-N	-1	0	365.773	1.752	40	0		FDABRM
CCOc1ccccc1NC(=O)C(=O)C1=S([O-])c2ccccc2NC1=O	ZINC000005824011	518354690	/nfs/dbraw/zinc/35/46/90/518354690.db2.gz	KNLPRLCCNPAGBS-DXPJPUQTSA-N	-1	0	372.402	1.721	40	0		FDABRM
CCOc1ccc(NC(=O)C(=O)C2=S([O-])c3ccccc3NC2=O)cc1	ZINC000005834532	518355759	/nfs/dbraw/zinc/35/57/59/518355759.db2.gz	WSIBVDIYOZHPHF-DXPJPUQTSA-N	-1	0	372.402	1.721	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1	ZINC000006742580	518384350	/nfs/dbraw/zinc/38/43/50/518384350.db2.gz	ZYNHHNSCGDFQLP-ATLSCFEFSA-N	-1	0	358.413	1.993	40	0		FDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2cccc(F)c2)CC1	ZINC000006742581	518384921	/nfs/dbraw/zinc/38/49/21/518384921.db2.gz	ZYNHHNSCGDFQLP-FZCLSBEQSA-N	-1	0	358.413	1.993	40	0		FDABRM
CCOc1cccc(C=NN2C(=O)CSC2=S)c1OCC(=O)[O-]	ZINC000006965000	518395158	/nfs/dbraw/zinc/39/51/58/518395158.db2.gz	UMJWBKOGWIDNSN-GIDUJCDVSA-N	-1	0	354.409	1.743	40	0		FDABRM
CCOC(=O)Cc1cc(=O)c2c([n-]n(-c3nc4ccccc4s3)c2=O)[nH]1	ZINC000009926407	518520080	/nfs/dbraw/zinc/52/00/80/518520080.db2.gz	XHWRAHWUQRNYRC-UHFFFAOYSA-N	-1	0	370.390	1.722	40	0		FDABRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCC(=O)Nc1ccccc1	ZINC000012338890	518606445	/nfs/dbraw/zinc/60/64/45/518606445.db2.gz	SOQZTDUGDJRDCT-ZROIWOOFSA-N	-1	0	367.361	1.893	40	0		FDABRM
O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c(=O)[nH]1	ZINC000032553897	519514545	/nfs/dbraw/zinc/51/45/45/519514545.db2.gz	HTLRODMBXAELNZ-UHFFFAOYSA-N	-1	0	369.708	1.536	40	0		FDABRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000036182929	519617893	/nfs/dbraw/zinc/61/78/93/519617893.db2.gz	BZQKHBWVHPEUFC-UHFFFAOYSA-N	-1	0	370.412	1.474	40	0		FDABRM
COC(=O)CSc1nn2c([n-]1)nc(CSc1ccccn1)cc2=O	ZINC000100071805	525210865	/nfs/dbraw/zinc/21/08/65/525210865.db2.gz	XCRANYNAPFNNRW-UHFFFAOYSA-N	-1	0	363.424	1.370	40	0		FDABRM
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2([NH3+])C(=O)[O-])cc1	ZINC000218112012	537459357	/nfs/dbraw/zinc/45/93/57/537459357.db2.gz	CBBVZULXJKEVAY-LZLYRXPVSA-N	-1	0	361.419	1.725	40	0		FDABRM
COc1ccccc1CCC[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000222710772	537510791	/nfs/dbraw/zinc/51/07/91/537510791.db2.gz	HLAYYYKXSKRUIX-UHFFFAOYSA-N	-1	0	370.456	1.416	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccccc2)s1	ZINC000225105223	537542605	/nfs/dbraw/zinc/54/26/05/537542605.db2.gz	DHQPFWIBJKZFFA-UHFFFAOYSA-N	-1	0	370.456	1.490	40	0		FDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(N)=O)s1	ZINC000225297973	537543294	/nfs/dbraw/zinc/54/32/94/537543294.db2.gz	OYLGGJCZTLBHRV-UHFFFAOYSA-N	-1	0	369.428	1.032	40	0		FDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccc(F)cc2)s1	ZINC000225500762	537552577	/nfs/dbraw/zinc/55/25/77/537552577.db2.gz	CKDJPPJTEMZEJD-UHFFFAOYSA-N	-1	0	372.447	1.937	40	0		FDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)s1	ZINC000225796657	537559895	/nfs/dbraw/zinc/55/98/95/537559895.db2.gz	SUCBBAUKBRQOLY-GFCCVEGCSA-N	-1	0	352.441	1.852	40	0		FDABRM
CO[C@@H]1CN(C(=O)C[C@@](C)(C(=O)[O-])c2ccc(Cl)cc2)C[C@@H]1OC	ZINC000634937043	558544146	/nfs/dbraw/zinc/54/41/46/558544146.db2.gz	ZBYDFMOLCSIOBX-JKIFEVAISA-N	-1	0	355.818	1.945	40	0		FDABRM
O=C([O-])c1ccc(NCc2ccccc2)c(S(=O)(=O)NCCO)c1	ZINC000217458152	568185105	/nfs/dbraw/zinc/18/51/05/568185105.db2.gz	RBTRAJGIAXKXQU-UHFFFAOYSA-N	-1	0	350.396	1.268	40	0		FDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1	ZINC000217498934	568188190	/nfs/dbraw/zinc/18/81/90/568188190.db2.gz	UMTXFIILHVRUOY-ZDUSSCGKSA-N	-1	0	372.443	1.291	40	0		FDABRM
COc1cccc(CNc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)c1	ZINC000328962943	571105032	/nfs/dbraw/zinc/10/50/32/571105032.db2.gz	BLDJOENAYPKVNZ-UHFFFAOYSA-N	-1	0	365.393	1.500	40	0		FDABRM
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CO)C(=O)[O-])cc1	ZINC000252514988	571319666	/nfs/dbraw/zinc/31/96/66/571319666.db2.gz	FQVVFNIRUDSZMG-JFIYKMOQSA-N	-1	0	362.403	1.698	40	0		FDABRM