smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000012889834	522375961	/nfs/dbraw/zinc/37/59/61/522375961.db2.gz	FOYFLALCUWRAIR-NDGTYSDOSA-N	-2	0	434.449	1.004	50	0	biogenic	IDAARL
O=C([O-])CC[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002989678	555874946	/nfs/dbraw/zinc/87/49/46/555874946.db2.gz	XKJQNQDSTLBSBS-BMANGOCTSA-N	-2	0	440.408	1.620	50	0		IDAARL
Cn1c([O-])c(C(c2ccccn2)c2c([O-])n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000008450559	556181318	/nfs/dbraw/zinc/18/13/18/556181318.db2.gz	XZONLWBDVMKZQF-UHFFFAOYSA-N	-2	0	433.515	1.206	50	0		IDAARL
Cc1ccc(C(c2c([O-])nc3n(c2=O)CCS3)c2c([O-])nc3n(c2=O)CCS3)cc1	ZINC000013775100	556307163	/nfs/dbraw/zinc/30/71/63/556307163.db2.gz	IISHQFOAYDWQCK-UHFFFAOYSA-N	-2	0	442.522	1.911	50	0		IDAARL
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)C2=O)c1	ZINC000014118306	556371572	/nfs/dbraw/zinc/37/15/72/556371572.db2.gz	IYTIZPFAMBONON-IBGZPJMESA-N	-2	0	432.458	1.374	50	0		IDAARL
CSc1nc([O-])c(C(c2ccc(C(=O)[O-])cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1	ZINC000016214102	556591404	/nfs/dbraw/zinc/59/14/04/556591404.db2.gz	JWYCRIJYCRTJQT-UHFFFAOYSA-N	-2	0	448.482	1.587	50	0		IDAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1	ZINC000100916780	557202129	/nfs/dbraw/zinc/20/21/29/557202129.db2.gz	JIPMAJYWEQFPSK-MJGOQNOKSA-N	-2	0	430.420	1.068	50	0		IDAARL
COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205944068	557368125	/nfs/dbraw/zinc/36/81/25/557368125.db2.gz	VUYHSLGLGOWISW-ZDUSSCGKSA-N	-2	0	428.397	1.567	50	0		IDAARL
COC(=O)C[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c(=O)nc2ccccn2c1[O-]	ZINC000205957266	557389851	/nfs/dbraw/zinc/38/98/51/557389851.db2.gz	CYJZNTOZOQPCDD-GFCCVEGCSA-N	-2	0	428.397	1.811	50	0		IDAARL
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000015449253	557589773	/nfs/dbraw/zinc/58/97/73/557589773.db2.gz	JDOZJEUDSLGTLU-UUHAENJBSA-N	-2	0	440.429	1.675	50	0		IDAARL
O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)cc1	ZINC000001622132	569080825	/nfs/dbraw/zinc/08/08/25/569080825.db2.gz	NDVQFCYOAORVKK-WGDLNXRISA-N	-2	0	444.421	1.678	50	0		IDAARL
Cc1nonc1CN1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036355002	569084275	/nfs/dbraw/zinc/08/42/75/569084275.db2.gz	FNYHDMGAALFNFM-FQEVSTJZSA-N	-2	0	445.451	1.890	50	0		IDAARL
O=CN1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036359786	569086579	/nfs/dbraw/zinc/08/65/79/569086579.db2.gz	OCIMFLOPKDIGKG-QGZVFWFLSA-N	-2	0	438.278	1.778	50	0		IDAARL
COc1ccc([C@@H](CC(=O)NCCC(=O)[O-])c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000253413088	569266038	/nfs/dbraw/zinc/26/60/38/569266038.db2.gz	SZTXUMDSGDTUNL-CYBMUJFWSA-N	-2	0	435.429	1.793	50	0	biogenic	IDAARL
O=C([O-])COc1ccccc1[C@H]1c2sc(=O)[nH]c2SC[C@]1(CC(=O)[O-])C(=O)[O-]	ZINC000096318853	569393884	/nfs/dbraw/zinc/39/38/84/569393884.db2.gz	TUNMBHQMNWGIRW-SJCJKPOMSA-N	-3	0	425.440	1.683	50	0		IDAARL
CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000008792079	569476358	/nfs/dbraw/zinc/47/63/58/569476358.db2.gz	CZZXLHCWTVDXBG-BBRMVZONSA-N	-2	0	431.449	1.025	50	0	biogenic	IDAARL
Nc1c2cc(S(=O)(=O)[O-])cc3c2c(cc1S(=O)(=O)[O-])C(=O)N(c1ccccc1)C3=O	ZINC000003045352	132260921	/nfs/dbraw/zinc/26/09/21/132260921.db2.gz	XCXVFPSIMHLSSX-UHFFFAOYSA-N	-2	0	448.434	1.716	50	0		IDAARL
COc1ccc(C(C2C(=O)N=C(SC)N=C2[O-])C2C(=O)N=C(SC)N=C2[O-])cc1	ZINC000016213356	523796010	/nfs/dbraw/zinc/79/60/10/523796010.db2.gz	JQMLNPZTQFERCA-UHFFFAOYSA-N	-2	0	434.499	1.897	50	0		IDAARL
O=C([O-])CC[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002989680	555874988	/nfs/dbraw/zinc/87/49/88/555874988.db2.gz	XKJQNQDSTLBSBS-VGVSSDJJSA-N	-2	0	440.408	1.620	50	0		IDAARL
CC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036359174	569085655	/nfs/dbraw/zinc/08/56/55/569085655.db2.gz	RKWUIEAMAZRXAR-QGZVFWFLSA-N	-2	0	438.278	1.778	50	0		IDAARL
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c([O-])nc2ccccn2c1=O	ZINC000096114470	569382854	/nfs/dbraw/zinc/38/28/54/569382854.db2.gz	DTMNBSBYHJPYDX-LBPRGKRZSA-N	-2	0	428.397	1.811	50	0	biogenic	IDAARL
O=C([O-])COc1ccccc1[C@@H]1c2sc(=O)[nH]c2SC[C@@]1(CC(=O)[O-])C(=O)[O-]	ZINC000096318850	569393858	/nfs/dbraw/zinc/39/38/58/569393858.db2.gz	TUNMBHQMNWGIRW-SJKOYZFVSA-N	-3	0	425.440	1.683	50	0		IDAARL
O=C([O-])COc1ccccc1[C@H]1c2sc(=O)[nH]c2SC[C@@]1(CC(=O)[O-])C(=O)[O-]	ZINC000096318851	569393893	/nfs/dbraw/zinc/39/38/93/569393893.db2.gz	TUNMBHQMNWGIRW-YVEFUNNKSA-N	-3	0	425.440	1.683	50	0		IDAARL
CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)cn1	ZINC000017098856	523451986	/nfs/dbraw/zinc/45/19/86/523451986.db2.gz	SNFGMZOQLVFOFL-UHFFFAOYSA-N	-2	0	434.499	1.823	50	0		IDAARL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])C2(c3ccccc3)C=C(Cl)C1(Cl)[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000008434944	556173074	/nfs/dbraw/zinc/17/30/74/556173074.db2.gz	MGCUHBQPIPORCS-JGYHARKKSA-N	-4	0	429.208	1.855	50	0		IDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-]	ZINC000011867573	556667532	/nfs/dbraw/zinc/66/75/32/556667532.db2.gz	UQZGQPSBIROLEM-GFCCVEGCSA-N	-2	0	425.825	1.021	50	0		IDAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cnc1Cl	ZINC000079103011	556737252	/nfs/dbraw/zinc/73/72/52/556737252.db2.gz	FASQRJGTJVGTTL-SECBINFHSA-N	-3	0	439.833	1.672	50	0		IDAARL
O=C([O-])c1[n-]n(-c2ccc(C(=O)[O-])cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000252610502	568926086	/nfs/dbraw/zinc/92/60/86/568926086.db2.gz	IBTXXOPMYBDONI-CYBMUJFWSA-N	-4	0	432.370	1.571	50	0		IDAARL
NC(=O)[C@@H]1CCCN1[C@@H](C(=O)[O-])c1cn(CCC(=O)[O-])c2cc(Br)ccc12	ZINC000036366429	569087147	/nfs/dbraw/zinc/08/71/47/569087147.db2.gz	ZFWVMYZFVLIIIX-XJKSGUPXSA-N	-2	0	438.278	1.954	50	0		IDAARL
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C(=O)[O-])c1	ZINC000328593588	569317418	/nfs/dbraw/zinc/31/74/18/569317418.db2.gz	MFTSCAQGEKLSLB-UHFFFAOYSA-N	-2	0	437.499	1.920	50	0		IDAARL
Nc1c2cc(S(=O)(=O)[O-])cc3c2c(cc1S(=O)(=O)[O-])C(=O)N(c1ccccn1)C3=O	ZINC000095471062	569371879	/nfs/dbraw/zinc/37/18/79/569371879.db2.gz	ZNIOEZCVZGOLPO-UHFFFAOYSA-N	-2	0	449.422	1.111	50	0		IDAARL
CCN(CC)S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1	ZINC000040060221	569484858	/nfs/dbraw/zinc/48/48/58/569484858.db2.gz	OCCGRWBQXARAHO-UHFFFAOYSA-N	-2	0	429.520	1.863	50	0		IDAARL
CCn1c([O-])c([C@@H](c2ccccn2)c2c([O-])nc([S-])n(CC)c2=O)c(=O)nc1[S-]	ZINC000009190742	569510580	/nfs/dbraw/zinc/51/05/80/569510580.db2.gz	JBMZOOCPNWPKGS-JTQLQIEISA-N	-4	0	433.515	1.404	50	0		IDAARL
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000012889936	522374884	/nfs/dbraw/zinc/37/48/84/522374884.db2.gz	FOYFLALCUWRAIR-ZUCKAHLUSA-N	-2	0	434.449	1.004	50	0	biogenic	IDAARL
COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c(C(=O)OC)c1C	ZINC000003296773	555915676	/nfs/dbraw/zinc/91/56/76/555915676.db2.gz	YTJKBBDBJDDGEQ-MRVPVSSYSA-N	-2	0	425.506	1.114	50	0		IDAARL
C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1)C(=O)[O-]	ZINC000170594912	569141563	/nfs/dbraw/zinc/14/15/63/569141563.db2.gz	HRJMVQVIJNTONF-LBPRGKRZSA-N	-2	0	448.453	1.561	50	0		IDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-]	ZINC000002111844	569181996	/nfs/dbraw/zinc/18/19/96/569181996.db2.gz	XGXOZGUERVOFMS-ZDUSSCGKSA-N	-2	0	439.852	1.411	50	0	biogenic	IDAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-]	ZINC000002114310	569182328	/nfs/dbraw/zinc/18/23/28/569182328.db2.gz	UQZGQPSBIROLEM-LBPRGKRZSA-N	-2	0	425.825	1.021	50	0	biogenic	IDAARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(CC(=O)[O-])C(=O)C(C(N)=O)=C1C	ZINC000096580363	569401645	/nfs/dbraw/zinc/40/16/45/569401645.db2.gz	ALJCDAROGHVCBZ-NVNXTCNLSA-N	-2	0	438.440	1.142	50	0		IDAARL
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])c(C(=O)OC)c1C	ZINC000003296772	555915588	/nfs/dbraw/zinc/91/55/88/555915588.db2.gz	YTJKBBDBJDDGEQ-QMMMGPOBSA-N	-2	0	425.506	1.114	50	0		IDAARL
O=C([O-])CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004684272	556006304	/nfs/dbraw/zinc/00/63/04/556006304.db2.gz	ZORDBMVWKMEZAC-ROUUACIJSA-N	-2	0	428.441	1.958	50	0		IDAARL
C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)([O-])[O-]	ZINC000005707379	556063833	/nfs/dbraw/zinc/06/38/33/556063833.db2.gz	ZMQRJWIYMXZORG-DSWNLJKISA-N	-2	0	430.390	1.055	50	0	in-man	IDAARL
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)C2=O)c1	ZINC000014118303	556371622	/nfs/dbraw/zinc/37/16/22/556371622.db2.gz	IYTIZPFAMBONON-LJQANCHMSA-N	-2	0	432.458	1.374	50	0		IDAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cnc1Cl	ZINC000079103018	556737397	/nfs/dbraw/zinc/73/73/97/556737397.db2.gz	FASQRJGTJVGTTL-VIFPVBQESA-N	-3	0	439.833	1.672	50	0		IDAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1	ZINC000103525938	557438785	/nfs/dbraw/zinc/43/87/85/557438785.db2.gz	JIPMAJYWEQFPSK-IEBWSBKVSA-N	-2	0	430.420	1.068	50	0		IDAARL
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000002113418	569182110	/nfs/dbraw/zinc/18/21/10/569182110.db2.gz	PQYGHQYPHFLCAW-LZVRBXCZSA-N	-2	0	438.864	1.735	50	0	biogenic	IDAARL
O=C1N=CN=C([O-])C1C(c1cccc(I)c1)C1C(=O)N=CN=C1[O-]	ZINC000008694670	569470115	/nfs/dbraw/zinc/47/01/15/569470115.db2.gz	BVVRQIQJCNZICL-UHFFFAOYSA-N	-2	0	438.181	1.049	50	0		IDAARL
O=C([O-])CC[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-]	ZINC000008876308	569481054	/nfs/dbraw/zinc/48/10/54/569481054.db2.gz	OQMPPARVJPTCLN-SJORKVTESA-N	-2	0	445.472	1.370	50	0	biogenic	IDAARL
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000008876713	569481128	/nfs/dbraw/zinc/48/11/28/569481128.db2.gz	FOYFLALCUWRAIR-BNLOLNQZSA-N	-2	0	434.449	1.004	50	0	biogenic	IDAARL
CCn1c([O-])c([C@H](c2ccccn2)c2c([O-])nc([S-])n(CC)c2=O)c(=O)nc1[S-]	ZINC000009190744	569510599	/nfs/dbraw/zinc/51/05/99/569510599.db2.gz	JBMZOOCPNWPKGS-SNVBAGLBSA-N	-4	0	433.515	1.404	50	0		IDAARL
O=S(=O)(CC(F)(F)F)[N-]Cc1cccc(C[N-]S(=O)(=O)CC(F)(F)F)c1	ZINC000095465330	557315294	/nfs/dbraw/zinc/31/52/94/557315294.db2.gz	ZGGHHYMTFKXVKG-UHFFFAOYSA-N	-2	0	428.376	1.650	50	0		IDAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1	ZINC000103525927	557438673	/nfs/dbraw/zinc/43/86/73/557438673.db2.gz	JIPMAJYWEQFPSK-HKUYNNGSSA-N	-2	0	430.420	1.068	50	0		IDAARL
O=CN1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036359785	569086549	/nfs/dbraw/zinc/08/65/49/569086549.db2.gz	OCIMFLOPKDIGKG-KRWDZBQOSA-N	-2	0	438.278	1.778	50	0		IDAARL
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C(=O)[O-])cc2)C1	ZINC000096005690	569379347	/nfs/dbraw/zinc/37/93/47/569379347.db2.gz	BQQYXYHGBCGOLJ-DYVFJYSZSA-N	-2	0	430.438	1.329	50	0		IDAARL
O=C([O-])COc1ccccc1[C@@H]1c2sc(=O)[nH]c2SC[C@]1(CC(=O)[O-])C(=O)[O-]	ZINC000096318852	569393848	/nfs/dbraw/zinc/39/38/48/569393848.db2.gz	TUNMBHQMNWGIRW-PXAZEXFGSA-N	-3	0	425.440	1.683	50	0		IDAARL
CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000031820653	569458086	/nfs/dbraw/zinc/45/80/86/569458086.db2.gz	ARSRBSYDCRIIRG-IBGZPJMESA-N	-2	0	446.460	1.871	50	0		IDAARL
Cc1ccc(NC(=O)CS[C@@H](CC(=O)[O-])C(=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000009580842	569548880	/nfs/dbraw/zinc/54/88/80/569548880.db2.gz	JKJYZSQDFVLYKZ-AWEZNQCLSA-N	-2	0	444.531	1.769	50	0		IDAARL
O=C([O-])c1cc(C(=O)[O-])c(C(=O)c2cc(C(=O)[O-])c(C(=O)[O-])cc2C(=O)[O-])cc1C(=O)[O-]	ZINC000022204540	526345216	/nfs/dbraw/zinc/34/52/16/526345216.db2.gz	RMHYDKMPLUHGLF-UHFFFAOYSA-N	-6	0	446.276	1.107	50	0		IDAARL
O=C([O-])COc1cc2cc(-c3ncc(C(=O)[O-])o3)oc2cc1N(CC(=O)[O-])CC(=O)[O-]	ZINC000004517634	555999249	/nfs/dbraw/zinc/99/92/49/555999249.db2.gz	PDURUKZNVHEHGO-UHFFFAOYSA-N	-4	0	434.313	1.225	50	0	in-vitro	IDAARL
Cc1nc2ccccn2c1C(=O)N[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000096007263	557674524	/nfs/dbraw/zinc/67/45/24/557674524.db2.gz	DXHKHPPJEPIFHX-UHFFFAOYSA-N	-2	0	430.486	1.818	50	0		IDAARL
COc1ccc(OC)c([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c1	ZINC000245298318	568914337	/nfs/dbraw/zinc/91/43/37/568914337.db2.gz	ZRBRCYWEXZDFLF-MHORFTMASA-N	-2	0	440.408	1.305	50	0		IDAARL
O=C([O-])c1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000252595507	568925977	/nfs/dbraw/zinc/92/59/77/568925977.db2.gz	CBEMWLWSVCVFKZ-ZDUSSCGKSA-N	-4	0	432.370	1.571	50	0		IDAARL
NC(=O)[C@@H]1CCCN1[C@H](C(=O)[O-])c1cn(CCC(=O)[O-])c2cc(Br)ccc12	ZINC000036366427	569087172	/nfs/dbraw/zinc/08/71/72/569087172.db2.gz	ZFWVMYZFVLIIIX-BBRMVZONSA-N	-2	0	438.278	1.954	50	0		IDAARL
COc1ccc(OC)c(S(=O)(=O)c2c(OC)ccc(OC)c2C(=O)[O-])c1C(=O)[O-]	ZINC000002299482	569269168	/nfs/dbraw/zinc/26/91/68/569269168.db2.gz	JRRBAFPGNWTITA-UHFFFAOYSA-N	-2	0	426.399	1.950	50	0		IDAARL
O=C([O-])CC[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000027570887	569273590	/nfs/dbraw/zinc/27/35/90/569273590.db2.gz	XKJQNQDSTLBSBS-CCAPLTMGSA-N	-2	0	440.408	1.620	50	0		IDAARL
COc1ccc([N-]S(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)cc1S(N)(=O)=O	ZINC000012557219	524685159	/nfs/dbraw/zinc/68/51/59/524685159.db2.gz	MHFIROICVCMHRL-XBXARRHUSA-N	-2	0	442.471	1.250	50	0		IDAARL
Cc1c(C(=O)[O-])sc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1C(=O)[O-]	ZINC000013121353	556474142	/nfs/dbraw/zinc/47/41/42/556474142.db2.gz	LERFSEZMWPPQTD-UHFFFAOYSA-N	-2	0	438.483	1.600	50	0		IDAARL
O=C(NCCNC(=O)c1c(=O)oc2ccccc2c1[O-])c1c(=O)oc2ccccc2c1[O-]	ZINC000003154716	557166751	/nfs/dbraw/zinc/16/67/51/557166751.db2.gz	KBIINLJRJBYVCU-UHFFFAOYSA-N	-2	0	436.376	1.470	50	0		IDAARL
O=C([O-])c1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000252595506	568925926	/nfs/dbraw/zinc/92/59/26/568925926.db2.gz	CBEMWLWSVCVFKZ-CYBMUJFWSA-N	-4	0	432.370	1.571	50	0		IDAARL
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccn(Cc4ccccn4)n3)cc2)C1	ZINC000065563657	569139290	/nfs/dbraw/zinc/13/92/90/569139290.db2.gz	FZHYNIRUNSUJKF-CQSZACIVSA-N	-2	0	441.469	1.565	50	0		IDAARL
O=C([O-])CCS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)CCC(=O)[O-])cc2)cc1	ZINC000002836076	569423245	/nfs/dbraw/zinc/42/32/45/569423245.db2.gz	CXTJUXFZSPQSIY-UHFFFAOYSA-N	-2	0	426.468	1.850	50	0		IDAARL
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N([N-]C(=O)c2ccco2)C3=O)cc1	ZINC000002899815	555860573	/nfs/dbraw/zinc/86/05/73/555860573.db2.gz	UDGDNVDIAUWCLO-UHFFFAOYSA-N	-2	0	440.389	1.752	50	0		IDAARL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])C2(c3ccccc3)[NH2+]C1(c1ccccc1)[C@@H](C(=O)[O-])[C@H]2C(=O)[O-]	ZINC000008386433	556161873	/nfs/dbraw/zinc/16/18/73/556161873.db2.gz	SLHKTTWYLPUJLM-XHCGKAHNSA-N	-3	0	425.393	1.197	50	0		IDAARL
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c(OC)c1OC	ZINC000060353788	556730662	/nfs/dbraw/zinc/73/06/62/556730662.db2.gz	XCUHEQUJCMJLDI-UHFFFAOYSA-N	-2	0	436.446	1.802	50	0		IDAARL
COc1cc(Br)c(S(=O)(=O)[N-]NC(=O)c2cc(C)oc2C)cc1C(=O)[O-]	ZINC000084081547	557139204	/nfs/dbraw/zinc/13/92/04/557139204.db2.gz	CKZZTRBRYPJMLK-UHFFFAOYSA-N	-2	0	447.263	1.989	50	0		IDAARL
O=C([O-])CC[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002990727	562931496	/nfs/dbraw/zinc/93/14/96/562931496.db2.gz	NQZGEXXWEDHYJR-CVEARBPZSA-N	-2	0	442.424	1.191	50	0		IDAARL
O=C([O-])c1[n-]n(-c2ccc(C(=O)[O-])cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000252610503	568926085	/nfs/dbraw/zinc/92/60/85/568926085.db2.gz	IBTXXOPMYBDONI-ZDUSSCGKSA-N	-4	0	432.370	1.571	50	0		IDAARL
CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(OC)cc2[N-]S(=O)(=O)CC)n1	ZINC000095445266	569367114	/nfs/dbraw/zinc/36/71/14/569367114.db2.gz	WHFOOCLKFGPPHQ-UHFFFAOYSA-N	-2	0	449.532	1.891	50	0		IDAARL
O=C([O-])C(=O)Cc1cc(I)c([O-])c(I)c1	ZINC000004095597	555961950	/nfs/dbraw/zinc/96/19/50/555961950.db2.gz	TZPLBTUUWSVGCY-UHFFFAOYSA-N	-2	0	431.951	1.798	50	0	in-man	IDAARL
COc1ccccc1C(C1C(=O)N=C(SC)N=C1[O-])C1C(=O)N=C(SC)N=C1[O-]	ZINC000008716675	556202468	/nfs/dbraw/zinc/20/24/68/556202468.db2.gz	MAPMJAMOBHRLQI-UHFFFAOYSA-N	-2	0	434.499	1.897	50	0		IDAARL
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O	ZINC000032595850	556408029	/nfs/dbraw/zinc/40/80/29/556408029.db2.gz	RVFHTGPOSNUGCT-CSKARUKUSA-N	-2	0	426.472	1.965	50	0		IDAARL
Nc1nc(=O)c2c([nH]1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000008577213	562949555	/nfs/dbraw/zinc/94/95/55/562949555.db2.gz	ZUQBAQVRAURMCL-DOMZBBRYSA-N	-2	0	443.460	1.029	50	0	investigational	IDAARL
O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000222254535	568884899	/nfs/dbraw/zinc/88/48/99/568884899.db2.gz	BQQYXYHGBCGOLJ-SUMWQHHRSA-N	-2	0	430.438	1.329	50	0		IDAARL
C[C@H](Cc1ccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1)C(=O)[O-]	ZINC000170594913	569141584	/nfs/dbraw/zinc/14/15/84/569141584.db2.gz	HRJMVQVIJNTONF-GFCCVEGCSA-N	-2	0	448.453	1.561	50	0		IDAARL
COC(=O)C[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096116217	569383584	/nfs/dbraw/zinc/38/35/84/569383584.db2.gz	JXSMIGXUHWWSNA-ZDUSSCGKSA-N	-2	0	428.397	1.567	50	0	biogenic	IDAARL
Cc1c(C(=O)[O-])sc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1C(=O)[O-]	ZINC000009877511	569572700	/nfs/dbraw/zinc/57/27/00/569572700.db2.gz	JWQZVPHOVVMDAL-UHFFFAOYSA-N	-2	0	444.531	1.866	50	0		IDAARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)n1	ZINC000008636581	556194437	/nfs/dbraw/zinc/19/44/37/556194437.db2.gz	HDUZBMOSKUPHMW-UHFFFAOYSA-N	-2	0	428.430	1.635	50	0		IDAARL
Cn1cc(C(=O)[O-])c(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2)n1	ZINC000048310901	557060617	/nfs/dbraw/zinc/06/06/17/557060617.db2.gz	VJKKSMRNVPAZQL-UHFFFAOYSA-N	-3	0	445.409	1.983	50	0		IDAARL
Cn1c([O-])c(C(c2ccncc2)c2c([O-])n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000008661059	562960332	/nfs/dbraw/zinc/96/03/32/562960332.db2.gz	JGNADRLMBXWBHJ-UHFFFAOYSA-N	-2	0	433.515	1.206	50	0		IDAARL
Cc1nonc1CN1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036355004	569084319	/nfs/dbraw/zinc/08/43/19/569084319.db2.gz	FNYHDMGAALFNFM-HXUWFJFHSA-N	-2	0	445.451	1.890	50	0		IDAARL
O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000078307648	569586617	/nfs/dbraw/zinc/58/66/17/569586617.db2.gz	SLLOHKZCCFWKKA-AWEZNQCLSA-N	-2	0	430.438	1.574	50	0		IDAARL
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000009059039	132226626	/nfs/dbraw/zinc/22/66/26/132226626.db2.gz	FOYFLALCUWRAIR-PPHDSNJXSA-N	-2	0	434.449	1.653	50	0	biogenic	IDAARL
O=C([O-])[C@@H]1[C@@H](C(=O)[O-])C2(c3ccccc3)[NH2+]C1(c1ccccc1)[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000008386435	556161897	/nfs/dbraw/zinc/16/18/97/556161897.db2.gz	SLHKTTWYLPUJLM-DQOGKMHCSA-N	-3	0	425.393	1.197	50	0		IDAARL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])C2(c3ccccc3)[NH2+]C1(c1ccccc1)[C@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000008386438	556162156	/nfs/dbraw/zinc/16/21/56/556162156.db2.gz	SLHKTTWYLPUJLM-XWOPMXEGSA-N	-3	0	425.393	1.197	50	0		IDAARL
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c(=O)nc2ccccn2c1[O-]	ZINC000205957290	557389789	/nfs/dbraw/zinc/38/97/89/557389789.db2.gz	CYJZNTOZOQPCDD-LBPRGKRZSA-N	-2	0	428.397	1.811	50	0		IDAARL
COc1ccc(OC)c([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c1	ZINC000245298321	568914282	/nfs/dbraw/zinc/91/42/82/568914282.db2.gz	ZRBRCYWEXZDFLF-OWSLCNJRSA-N	-2	0	440.408	1.305	50	0		IDAARL
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C(=O)[O-])cc2)C1	ZINC000096005689	569379381	/nfs/dbraw/zinc/37/93/81/569379381.db2.gz	BQQYXYHGBCGOLJ-CXAGYDPISA-N	-2	0	430.438	1.329	50	0		IDAARL
COC(=O)C[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096116216	569383574	/nfs/dbraw/zinc/38/35/74/569383574.db2.gz	JXSMIGXUHWWSNA-CYBMUJFWSA-N	-2	0	428.397	1.567	50	0	biogenic	IDAARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(CC(=O)[O-])C(=O)C(C(N)=O)=C1C	ZINC000230213834	569440136	/nfs/dbraw/zinc/44/01/36/569440136.db2.gz	ALJCDAROGHVCBZ-OVCLIPMQSA-N	-2	0	438.440	1.142	50	0		IDAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1OC	ZINC000012557295	521935032	/nfs/dbraw/zinc/93/50/32/521935032.db2.gz	RQEWUWIMWJCHQD-VOTSOKGWSA-N	-2	0	442.471	1.250	50	0		IDAARL
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[n-]c([O-])c(S(=O)(=O)c1ccccc1)c2=O	ZINC000020530014	526520360	/nfs/dbraw/zinc/52/03/60/526520360.db2.gz	ZGJIEMRIKRBRNY-AWEZNQCLSA-N	-2	0	428.466	1.975	50	0		IDAARL
O=C([O-])[C@@H]1[C@H](C(=O)[O-])C2(c3ccccc3)[NH2+]C1(c1ccccc1)[C@@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000002053640	555729771	/nfs/dbraw/zinc/72/97/71/555729771.db2.gz	SLHKTTWYLPUJLM-RUDFCAMMSA-N	-3	0	425.393	1.197	50	0		IDAARL
CSc1nc([O-])c(C(c2ccccn2)c2c([O-])nc(SC)n(C)c2=O)c(=O)n1C	ZINC000016225709	556592370	/nfs/dbraw/zinc/59/23/70/556592370.db2.gz	UXEYBAYLXRAKSU-UHFFFAOYSA-N	-2	0	433.515	1.304	50	0		IDAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(N3C(=O)N(C4CC4)C(=O)C3O)c2)c1	ZINC000060738888	557110977	/nfs/dbraw/zinc/11/09/77/557110977.db2.gz	YUWYPYFXKRIDCU-UHFFFAOYSA-N	-2	0	437.455	1.946	50	0		IDAARL
O=C([O-])CC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002990725	562931455	/nfs/dbraw/zinc/93/14/55/562931455.db2.gz	NQZGEXXWEDHYJR-HOTGVXAUSA-N	-2	0	442.424	1.191	50	0		IDAARL
O=C([O-])CC[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002990728	562931494	/nfs/dbraw/zinc/93/14/94/562931494.db2.gz	NQZGEXXWEDHYJR-HZPDHXFCSA-N	-2	0	442.424	1.191	50	0		IDAARL
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccn(Cc4ccccn4)n3)cc2)C1	ZINC000065563660	569139282	/nfs/dbraw/zinc/13/92/82/569139282.db2.gz	FZHYNIRUNSUJKF-AWEZNQCLSA-N	-2	0	441.469	1.565	50	0		IDAARL
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O	ZINC000096401578	569400502	/nfs/dbraw/zinc/40/05/02/569400502.db2.gz	RVFHTGPOSNUGCT-NTMALXAHSA-N	-2	0	426.472	1.965	50	0		IDAARL
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3c4ccccc4C[C@H]3C(=O)[O-])cc2)C1	ZINC000230237451	569440394	/nfs/dbraw/zinc/44/03/94/569440394.db2.gz	BQQYXYHGBCGOLJ-GUYCJALGSA-N	-2	0	430.438	1.329	50	0		IDAARL
CC(=O)Nc1ccc(-c2ccc(NC(C)=O)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000022339452	519707920	/nfs/dbraw/zinc/70/79/20/519707920.db2.gz	DJNJWHNTTHPYRS-UHFFFAOYSA-N	-2	0	428.444	1.764	50	0		IDAARL
O=C([O-])c1ccc2c(c1)C(=O)N(CCCCN1C(=O)c3ccc(C(=O)[O-])cc3C1=O)C2=O	ZINC000013955204	556344910	/nfs/dbraw/zinc/34/49/10/556344910.db2.gz	CMUGQDJSZSNVAE-UHFFFAOYSA-N	-2	0	436.376	1.755	50	0		IDAARL
COC(=O)C[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205944050	557368197	/nfs/dbraw/zinc/36/81/97/557368197.db2.gz	VUYHSLGLGOWISW-CYBMUJFWSA-N	-2	0	428.397	1.567	50	0		IDAARL
O=C([O-])CC[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002990726	562931541	/nfs/dbraw/zinc/93/15/41/562931541.db2.gz	NQZGEXXWEDHYJR-JKSUJKDBSA-N	-2	0	442.424	1.191	50	0		IDAARL
CC(=O)N1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036359173	569085480	/nfs/dbraw/zinc/08/54/80/569085480.db2.gz	RKWUIEAMAZRXAR-KRWDZBQOSA-N	-2	0	438.278	1.778	50	0		IDAARL
COC(=O)c1c[nH]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000170610498	569145002	/nfs/dbraw/zinc/14/50/02/569145002.db2.gz	MFPOEZIRMWIZKH-UHFFFAOYSA-N	-2	0	438.414	1.436	50	0		IDAARL
CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nncs3)cc2)c1	ZINC000089894074	569166953	/nfs/dbraw/zinc/16/69/53/569166953.db2.gz	AKKCDUPPYPZTGL-UHFFFAOYSA-N	-2	0	428.521	1.917	50	0		IDAARL
COC(=O)C[C@H](c1ccc(OC)c(OC)c1C(=O)[O-])c1c([O-])nc2ccccn2c1=O	ZINC000096114469	569382901	/nfs/dbraw/zinc/38/29/01/569382901.db2.gz	DTMNBSBYHJPYDX-GFCCVEGCSA-N	-2	0	428.397	1.811	50	0	biogenic	IDAARL
O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000078307645	569586587	/nfs/dbraw/zinc/58/65/87/569586587.db2.gz	SLLOHKZCCFWKKA-CQSZACIVSA-N	-2	0	430.438	1.574	50	0		IDAARL
CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000031820649	520958072	/nfs/dbraw/zinc/95/80/72/520958072.db2.gz	ARSRBSYDCRIIRG-LJQANCHMSA-N	-2	0	446.460	1.871	50	0		IDAARL
Cc1ccc(NC(=O)CS[C@H](CC(=O)[O-])C(=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000012614673	525075668	/nfs/dbraw/zinc/07/56/68/525075668.db2.gz	JKJYZSQDFVLYKZ-CQSZACIVSA-N	-2	0	444.531	1.769	50	0		IDAARL
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c(C(=O)OC)c1C	ZINC000003289658	555914440	/nfs/dbraw/zinc/91/44/40/555914440.db2.gz	YZFPWJFROOBFDO-LBPRGKRZSA-N	-2	0	441.483	1.604	50	0		IDAARL
O=C([O-])COc1cc(-c2cc3ccc(C(=O)[O-])cc3[nH]2)ccc1N(CC(=O)[O-])CC(=O)[O-]	ZINC000004517673	555999368	/nfs/dbraw/zinc/99/93/68/555999368.db2.gz	PDDJAJCJQXFQCW-UHFFFAOYSA-N	-4	0	442.380	1.972	50	0		IDAARL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000072301185	556524522	/nfs/dbraw/zinc/52/45/22/556524522.db2.gz	MZGUFMXDHICJQZ-UHFFFAOYSA-N	-2	0	427.460	1.558	50	0		IDAARL
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-]	ZINC000015449251	557589787	/nfs/dbraw/zinc/58/97/87/557589787.db2.gz	JDOZJEUDSLGTLU-BULBTXNYSA-N	-2	0	440.429	1.675	50	0		IDAARL
O=C([O-])CC[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000027570890	569273606	/nfs/dbraw/zinc/27/36/06/569273606.db2.gz	XKJQNQDSTLBSBS-HEUOVEHFSA-N	-2	0	440.408	1.620	50	0		IDAARL
COC(=O)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000012508355	523101959	/nfs/dbraw/zinc/10/19/59/523101959.db2.gz	FXOSENGGUHPONV-UHFFFAOYSA-N	-2	0	448.500	1.089	50	0		IDAARL
O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[n-]c([O-])c(S(=O)(=O)c1ccccc1)c2=O	ZINC000020530015	526600754	/nfs/dbraw/zinc/60/07/54/526600754.db2.gz	ZGJIEMRIKRBRNY-CQSZACIVSA-N	-2	0	428.466	1.975	50	0		IDAARL
COC(=O)c1sc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c(C(=O)OC)c1C	ZINC000003289661	555914531	/nfs/dbraw/zinc/91/45/31/555914531.db2.gz	YZFPWJFROOBFDO-GFCCVEGCSA-N	-2	0	441.483	1.604	50	0		IDAARL
Cc1ccc(-n2c(O)c3[n-][n-]c(C(=O)CCN4C(=O)c5ccccc5C4=O)c-3c2=O)cc1	ZINC000016038205	556577685	/nfs/dbraw/zinc/57/76/85/556577685.db2.gz	JIPMAJYWEQFPSK-PKOBYXMFSA-N	-2	0	430.420	1.068	50	0		IDAARL
CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O)C(=O)[O-]	ZINC000011865613	556665475	/nfs/dbraw/zinc/66/54/75/556665475.db2.gz	PQYGHQYPHFLCAW-NIVTXAMTSA-N	-2	0	438.864	1.735	50	0		IDAARL
COc1ccc([C@H](CC(=O)NCCC(=O)[O-])c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000253413089	569266010	/nfs/dbraw/zinc/26/60/10/569266010.db2.gz	SZTXUMDSGDTUNL-ZDUSSCGKSA-N	-2	0	435.429	1.793	50	0	biogenic	IDAARL