smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])ccc2c3c(c(=O)oc12)CCC3	ZINC000002092844	569178917	/nfs/dbraw/zinc/17/89/17/569178917.db2.gz	LXTPCZLWHLPCAR-OAHLLOKOSA-N	-1	0	431.445	0.987	50	0	biogenic	ICAARM
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)cc1	ZINC000002110020	569181802	/nfs/dbraw/zinc/18/18/02/569181802.db2.gz	YRYZNKAVNKSZDE-KBPBESRZSA-N	-1	0	425.507	0.490	50	0	biogenic	ICAARM
Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)NCC(=O)NCC(=O)[O-])c(C)c3cc12	ZINC000002112867	569182221	/nfs/dbraw/zinc/18/22/21/569182221.db2.gz	CITYLSVVRUKHTR-UHFFFAOYSA-N	-1	0	443.412	0.132	50	0	biogenic	ICAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c2cc1OC	ZINC000002117467	569182559	/nfs/dbraw/zinc/18/25/59/569182559.db2.gz	APYYCDDHZKGHJO-ZDUSSCGKSA-N	-1	0	435.433	0.679	50	0	biogenic	ICAARM
O=C([O-])[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000002121004	569183435	/nfs/dbraw/zinc/18/34/35/569183435.db2.gz	MOFOLNOWFPVLGZ-MGFJAUSVSA-N	-1	0	446.364	0.142	50	0	biogenic	ICAARM
Cn1c([O-])c([C@@H]2Cc3ccccc3CC23C(=O)N(C)C(=O)N(C)C3=O)c(=O)n(C)c1=O	ZINC000002121314	569183549	/nfs/dbraw/zinc/18/35/49/569183549.db2.gz	MJLXVVSBXYZYSR-ZDUSSCGKSA-N	-1	0	426.429	0.105	50	0	biogenic	ICAARM
COc1ccc2c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1OC	ZINC000002123398	569183664	/nfs/dbraw/zinc/18/36/64/569183664.db2.gz	QDCWZBFDNXDGBU-ZDUSSCGKSA-N	-1	0	435.433	0.679	50	0	biogenic	ICAARM
O=C([O-])[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O	ZINC000002129034	569184315	/nfs/dbraw/zinc/18/43/15/569184315.db2.gz	DVQOFFVZEQIKCM-ROUUACIJSA-N	-1	0	436.424	0.517	50	0	biogenic	ICAARM
COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1	ZINC000002160326	569189025	/nfs/dbraw/zinc/18/90/25/569189025.db2.gz	POFONGQRXPZRIU-ZDUSSCGKSA-N	-1	0	435.433	0.679	50	0	biogenic	ICAARM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)C(C)C)cc1	ZINC000002234936	562926478	/nfs/dbraw/zinc/92/64/78/562926478.db2.gz	VPQUDVLMVQVANX-SFHVURJKSA-N	-1	0	439.534	0.737	50	0		ICAARM
Cc1ccccc1OC[C@H](O)Cn1c(S[C@@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002274649	569217713	/nfs/dbraw/zinc/21/77/13/569217713.db2.gz	RWSAQADRSHAMDF-NWDGAFQWSA-N	-1	0	434.474	0.737	50	0		ICAARM
Cc1ccccc1OC[C@@H](O)Cn1c(S[C@@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002274650	569217799	/nfs/dbraw/zinc/21/77/99/569217799.db2.gz	RWSAQADRSHAMDF-RYUDHWBXSA-N	-1	0	434.474	0.737	50	0		ICAARM
Cc1ccccc1OC[C@H](O)Cn1c(S[C@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002274651	569217739	/nfs/dbraw/zinc/21/77/39/569217739.db2.gz	RWSAQADRSHAMDF-VXGBXAGGSA-N	-1	0	434.474	0.737	50	0		ICAARM
Cc1ccccc1OC[C@@H](O)Cn1c(S[C@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002274652	569217780	/nfs/dbraw/zinc/21/77/80/569217780.db2.gz	RWSAQADRSHAMDF-NEPJUHHUSA-N	-1	0	434.474	0.737	50	0		ICAARM
Cc1ccccc1OC[C@H](O)Cn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002275338	569217838	/nfs/dbraw/zinc/21/78/38/569217838.db2.gz	INUPMHUUOBCEPR-GFCCVEGCSA-N	-1	0	434.474	0.738	50	0		ICAARM
Cc1ccccc1OC[C@@H](O)Cn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000002275339	569217911	/nfs/dbraw/zinc/21/79/11/569217911.db2.gz	INUPMHUUOBCEPR-LBPRGKRZSA-N	-1	0	434.474	0.738	50	0		ICAARM
CCOC(=O)CNC(=S)N1CCN(c2ncc3c(=O)c(C(=O)[O-])cn(CC)c3n2)CC1	ZINC000002344583	555770526	/nfs/dbraw/zinc/77/05/26/555770526.db2.gz	NUJNDMDZVPLHST-UHFFFAOYSA-N	-1	0	448.505	0.069	50	0		ICAARM
CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1	ZINC000002469209	569403993	/nfs/dbraw/zinc/40/39/93/569403993.db2.gz	XFOIZJKVVNNQDC-ZDUSSCGKSA-N	-1	0	436.490	0.810	50	0		ICAARM
CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1	ZINC000002469211	569403979	/nfs/dbraw/zinc/40/39/79/569403979.db2.gz	XFOIZJKVVNNQDC-CYBMUJFWSA-N	-1	0	436.490	0.810	50	0		ICAARM
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-]	ZINC000002674087	562929670	/nfs/dbraw/zinc/92/96/70/562929670.db2.gz	OXIPALSVQGFEHI-IGANVGNNSA-N	-1	0	444.481	0.115	50	0		ICAARM
CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-]	ZINC000002674088	562929764	/nfs/dbraw/zinc/92/97/64/562929764.db2.gz	OXIPALSVQGFEHI-XPZLDKABSA-N	-1	0	444.481	0.115	50	0		ICAARM
CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-]	ZINC000002674089	562929790	/nfs/dbraw/zinc/92/97/90/562929790.db2.gz	OXIPALSVQGFEHI-GVDXWYFLSA-N	-1	0	444.481	0.115	50	0		ICAARM
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-]	ZINC000002674090	562929783	/nfs/dbraw/zinc/92/97/83/562929783.db2.gz	OXIPALSVQGFEHI-XIRAZMIDSA-N	-1	0	444.481	0.115	50	0		ICAARM
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000002700607	556120835	/nfs/dbraw/zinc/12/08/35/556120835.db2.gz	BIGMAAGEWWWWJA-WEVVVXLNSA-N	-1	0	440.499	0.961	50	0		ICAARM
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1	ZINC000002713087	562929907	/nfs/dbraw/zinc/92/99/07/562929907.db2.gz	POVCEBPKDXFNBR-UHFFFAOYSA-N	-1	0	438.491	0.817	50	0		ICAARM
CCn1cc(-c2nnc(SCC3=C(C(=O)[O-])N4C(=O)[C@H](N)[C@@H]4SC3)n2CC)cn1	ZINC000002784704	569421355	/nfs/dbraw/zinc/42/13/55/569421355.db2.gz	WXPMXCIAKWMRDU-NHYWBVRUSA-N	-1	0	435.535	0.855	50	0		ICAARM
CCn1cc(-c2nnc(SCC3=C(C(=O)[O-])N4C(=O)[C@H](N)[C@H]4SC3)n2CC)cn1	ZINC000002784705	569421374	/nfs/dbraw/zinc/42/13/74/569421374.db2.gz	WXPMXCIAKWMRDU-XHDPSFHLSA-N	-1	0	435.535	0.855	50	0		ICAARM
CCn1cc(-c2nnc(SCC3=C(C(=O)[O-])N4C(=O)[C@@H](N)[C@@H]4SC3)n2CC)cn1	ZINC000002784706	569421339	/nfs/dbraw/zinc/42/13/39/569421339.db2.gz	WXPMXCIAKWMRDU-ABAIWWIYSA-N	-1	0	435.535	0.855	50	0		ICAARM
CCn1cc(-c2nnc(SCC3=C(C(=O)[O-])N4C(=O)[C@@H](N)[C@H]4SC3)n2CC)cn1	ZINC000002784707	569421368	/nfs/dbraw/zinc/42/13/68/569421368.db2.gz	WXPMXCIAKWMRDU-IAQYHMDHSA-N	-1	0	435.535	0.855	50	0		ICAARM
COc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1	ZINC000002851573	555839503	/nfs/dbraw/zinc/83/95/03/555839503.db2.gz	ZAINVSRKGLRIOJ-UHFFFAOYSA-N	-1	0	446.532	0.531	50	0		ICAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000002857916	556148022	/nfs/dbraw/zinc/14/80/22/556148022.db2.gz	WUYCZYXNJDYKSD-INIZCTEOSA-N	-1	0	428.426	0.672	50	0		ICAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000002857917	556148148	/nfs/dbraw/zinc/14/81/48/556148148.db2.gz	WUYCZYXNJDYKSD-MRXNPFEDSA-N	-1	0	428.426	0.672	50	0		ICAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2c[nH]c(=O)[nH]c2=O)C3=O)cc1	ZINC000003099991	556578967	/nfs/dbraw/zinc/57/89/67/556578967.db2.gz	PRCSPSXUIMULKB-UHFFFAOYSA-N	-1	0	441.377	0.395	50	0		ICAARM
COc1ccc(OC[C@@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000003213003	555899027	/nfs/dbraw/zinc/89/90/27/555899027.db2.gz	ICKJZCAKBWWGQC-JTQLQIEISA-N	-1	0	436.446	0.049	50	0		ICAARM
COc1ccc(OC[C@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000003213005	555899022	/nfs/dbraw/zinc/89/90/22/555899022.db2.gz	ICKJZCAKBWWGQC-SNVBAGLBSA-N	-1	0	436.446	0.049	50	0		ICAARM
NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1ccccc1OCC(=O)[O-])NS2(=O)=O	ZINC000003229968	562933138	/nfs/dbraw/zinc/93/31/38/562933138.db2.gz	RJIAMHUSHJSTBL-HNNXBMFYSA-N	-1	0	447.878	0.853	50	0		ICAARM
NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccccc1OCC(=O)[O-])NS2(=O)=O	ZINC000003229969	562933099	/nfs/dbraw/zinc/93/30/99/562933099.db2.gz	RJIAMHUSHJSTBL-OAHLLOKOSA-N	-1	0	447.878	0.853	50	0		ICAARM
COc1cc(C(=O)[N-]N2S(=O)(=O)c3ccccc3S2(=O)=O)cc(OC)c1OC	ZINC000003583897	569454425	/nfs/dbraw/zinc/45/44/25/569454425.db2.gz	MAILSNODKXLZOI-UHFFFAOYSA-N	-1	0	428.444	0.750	50	0		ICAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C	ZINC000003636113	568752008	/nfs/dbraw/zinc/75/20/08/568752008.db2.gz	IDGSLUSPEUNPMP-GOSISDBHSA-N	-1	0	435.362	0.672	50	0		ICAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C	ZINC000003636115	568752019	/nfs/dbraw/zinc/75/20/19/568752019.db2.gz	IDGSLUSPEUNPMP-SFHVURJKSA-N	-1	0	435.362	0.672	50	0		ICAARM
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21	ZINC000003830449	555946961	/nfs/dbraw/zinc/94/69/61/555946961.db2.gz	WZOZEZRFJCJXNZ-ZBFHGGJFSA-N	-1	0	427.460	0.099	50	0	fda	ICAARM
CO[C@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21	ZINC000003830450	568754630	/nfs/dbraw/zinc/75/46/30/568754630.db2.gz	WZOZEZRFJCJXNZ-GDBMZVCRSA-N	-1	0	427.460	0.099	50	0		ICAARM
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]21	ZINC000003830451	562939004	/nfs/dbraw/zinc/93/90/04/562939004.db2.gz	WZOZEZRFJCJXNZ-HOCLYGCPSA-N	-1	0	427.460	0.099	50	0	in-vitro	ICAARM
CO[C@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]21	ZINC000003830452	562938983	/nfs/dbraw/zinc/93/89/83/562938983.db2.gz	WZOZEZRFJCJXNZ-GOEBONIOSA-N	-1	0	427.460	0.099	50	0		ICAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000004073437	569458645	/nfs/dbraw/zinc/45/86/45/569458645.db2.gz	GLVCIOVUDRIFHG-QEJZJMRPSA-N	-1	0	429.514	0.725	50	0	biogenic	ICAARM
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c-3c2O)cc1	ZINC000004096693	291313766	/nfs/dbraw/zinc/31/37/66/291313766.db2.gz	LFEUICHQZGNOHD-RECXWPGBSA-N	-1	0	446.408	0.353	50	0	biogenic,in-vitro	ICAARM
CSCC[C@H](NC=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004544549	557537468	/nfs/dbraw/zinc/53/74/68/557537468.db2.gz	JAGURBYHFCUGLL-AVGNSLFASA-N	-1	0	439.625	0.415	50	0		ICAARM
COC(=O)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc(C(=O)OC)c1	ZINC000004732755	557050459	/nfs/dbraw/zinc/05/04/59/557050459.db2.gz	HKNWOOYHJIMFNH-UHFFFAOYSA-N	-1	0	433.398	0.590	50	0		ICAARM
O=C([N-]N1S(=O)(=O)c2ccccc2S1(=O)=O)c1[nH]cnc1C(=O)Nc1ccccc1	ZINC000005983673	568739673	/nfs/dbraw/zinc/73/96/73/568739673.db2.gz	DJXOOXGVLMHNGA-UHFFFAOYSA-N	-1	0	447.454	0.700	50	0		ICAARM
Cc1n[n-]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1=O	ZINC000006016797	568740276	/nfs/dbraw/zinc/74/02/76/568740276.db2.gz	ITMRIDVFKVYPLD-UHFFFAOYSA-N	-1	0	425.492	0.225	50	0		ICAARM
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1)C(=O)[O-]	ZINC000006566221	556094962	/nfs/dbraw/zinc/09/49/62/556094962.db2.gz	AAXWBCKQYLBQKY-IRXDYDNUSA-N	-1	0	429.477	0.483	50	0		ICAARM
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC(C(=O)NCC(=O)[O-])CC2)C(C)C)cc1	ZINC000008606848	569469407	/nfs/dbraw/zinc/46/94/07/569469407.db2.gz	VPQUDVLMVQVANX-GOSISDBHSA-N	-1	0	439.534	0.737	50	0		ICAARM
CCc1ccc(OC[C@@H](O)Cn2c(SCCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000008654134	556196872	/nfs/dbraw/zinc/19/68/72/556196872.db2.gz	ANVXJYFGSYVLIN-ZDUSSCGKSA-N	-1	0	448.501	0.992	50	0		ICAARM
CCc1ccc(OC[C@H](O)Cn2c(SCCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000008654135	556196964	/nfs/dbraw/zinc/19/69/64/556196964.db2.gz	ANVXJYFGSYVLIN-CYBMUJFWSA-N	-1	0	448.501	0.992	50	0		ICAARM
COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C=Cc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000008762000	569474297	/nfs/dbraw/zinc/47/42/97/569474297.db2.gz	XUUYBGAMTPGXGT-BQYQJAHWSA-N	-1	0	425.353	0.931	50	0		ICAARM
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCCC(=O)[O-]	ZINC000008789949	569475987	/nfs/dbraw/zinc/47/59/87/569475987.db2.gz	QDUWSBZPFHRXMS-YJYMSZOUSA-N	-1	0	433.461	0.542	50	0	biogenic	ICAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-]	ZINC000008789976	569475976	/nfs/dbraw/zinc/47/59/76/569475976.db2.gz	KCGABCXZDOFBHR-BZIRYSOJSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000008790050	569476017	/nfs/dbraw/zinc/47/60/17/569476017.db2.gz	IMWXYFOBMBVTQY-RYSNWHEDSA-N	-1	0	442.513	0.267	50	0		ICAARM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008790292	569476024	/nfs/dbraw/zinc/47/60/24/569476024.db2.gz	SEFNBRGIKIPITP-BZIRYSOJSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-]	ZINC000008790296	569476034	/nfs/dbraw/zinc/47/60/34/569476034.db2.gz	WAEMQFFZALZAPE-LZWOXQAQSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-]	ZINC000008790297	569476060	/nfs/dbraw/zinc/47/60/60/569476060.db2.gz	WAEMQFFZALZAPE-DZKIICNBSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCC(=O)[O-]	ZINC000008790454	569476065	/nfs/dbraw/zinc/47/60/65/569476065.db2.gz	NJTVMQFYKWBKTL-HIFRSBDPSA-N	-1	0	433.461	0.542	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCC(=O)[O-]	ZINC000008790455	569476019	/nfs/dbraw/zinc/47/60/19/569476019.db2.gz	NJTVMQFYKWBKTL-ZFWWWQNUSA-N	-1	0	433.461	0.542	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008790651	569476092	/nfs/dbraw/zinc/47/60/92/569476092.db2.gz	UILUHTRFLKAGRC-LZWOXQAQSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008790652	569476130	/nfs/dbraw/zinc/47/61/30/569476130.db2.gz	UILUHTRFLKAGRC-DZKIICNBSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
Cc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3	ZINC000008791136	569476186	/nfs/dbraw/zinc/47/61/86/569476186.db2.gz	SFONPGIQAFPRKU-UHFFFAOYSA-N	-1	0	432.429	0.901	50	0	biogenic	ICAARM
O=C([O-])CC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-]	ZINC000008791366	569476232	/nfs/dbraw/zinc/47/62/32/569476232.db2.gz	YAPUJMNJZGCXMI-IRXDYDNUSA-N	-1	0	431.489	0.733	50	0	biogenic	ICAARM
NC(=O)CC[C@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-]	ZINC000008791779	569476288	/nfs/dbraw/zinc/47/62/88/569476288.db2.gz	BLQGPNQUHITMLW-IRXDYDNUSA-N	-1	0	444.488	0.771	50	0	biogenic	ICAARM
CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000008792085	569476306	/nfs/dbraw/zinc/47/63/06/569476306.db2.gz	NUNQHNPNZZWQKS-BBRMVZONSA-N	-1	0	430.465	0.425	50	0	biogenic	ICAARM
CCn1ncc(Cl)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12	ZINC000008815632	569476766	/nfs/dbraw/zinc/47/67/66/569476766.db2.gz	BNXPSULGYKFPLC-ZUZCIYMTSA-N	-1	0	428.854	0.472	50	0		ICAARM
CCn1ncc(Cl)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12	ZINC000008815633	569476737	/nfs/dbraw/zinc/47/67/37/569476737.db2.gz	BNXPSULGYKFPLC-BONVTDFDSA-N	-1	0	428.854	0.472	50	0		ICAARM
CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12	ZINC000008815634	569476799	/nfs/dbraw/zinc/47/67/99/569476799.db2.gz	BNXPSULGYKFPLC-BMIGLBTASA-N	-1	0	428.854	0.472	50	0		ICAARM
CC(C)[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008817420	569476816	/nfs/dbraw/zinc/47/68/16/569476816.db2.gz	DRZJBMUBFNUJCT-NDUFJKEYSA-N	-1	0	444.481	0.113	50	0	biogenic	ICAARM
CC(C)[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008817421	569476869	/nfs/dbraw/zinc/47/68/69/569476869.db2.gz	DRZJBMUBFNUJCT-HWVNZTBJSA-N	-1	0	444.481	0.113	50	0	biogenic	ICAARM
CC(C)[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)N[C@H](C)C(=O)[O-]	ZINC000008817422	569476862	/nfs/dbraw/zinc/47/68/62/569476862.db2.gz	DRZJBMUBFNUJCT-ORCQVBFUSA-N	-1	0	444.481	0.113	50	0	biogenic	ICAARM
CC(C)[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)N[C@H](C)C(=O)[O-]	ZINC000008817423	569476853	/nfs/dbraw/zinc/47/68/53/569476853.db2.gz	DRZJBMUBFNUJCT-FREDZAMBSA-N	-1	0	444.481	0.113	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876185	569481044	/nfs/dbraw/zinc/48/10/44/569481044.db2.gz	XUZXPOWLUXOUAD-IRXDYDNUSA-N	-1	0	446.504	0.836	50	0	biogenic	ICAARM
NC(=O)CC[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-]	ZINC000008876252	569481069	/nfs/dbraw/zinc/48/10/69/569481069.db2.gz	BLQGPNQUHITMLW-SJORKVTESA-N	-1	0	444.488	0.771	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000008876415	569481137	/nfs/dbraw/zinc/48/11/37/569481137.db2.gz	MKRQIDMKTSODAP-DOTOQJQBSA-N	-1	0	432.477	0.446	50	0	biogenic	ICAARM
COc1cc2c(cc1OC)CN(C(=O)Cn1c(=O)[nH]c3ccccc3c1=O)[C@H](C(=O)[O-])C2	ZINC000008879795	569481359	/nfs/dbraw/zinc/48/13/59/569481359.db2.gz	RVHDHUPSFAAQNR-INIZCTEOSA-N	-1	0	439.424	0.745	50	0	biogenic	ICAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000008918337	569486300	/nfs/dbraw/zinc/48/63/00/569486300.db2.gz	MGCCXFLIDWNCIM-ZFWWWQNUSA-N	-1	0	442.513	0.219	50	0	biogenic	ICAARM
CCc1ccc(OC[C@@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000008934303	569487916	/nfs/dbraw/zinc/48/79/16/569487916.db2.gz	FRZYWDWMXPRLIX-LBPRGKRZSA-N	-1	0	434.474	0.602	50	0		ICAARM
CCc1ccc(OC[C@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000008934471	569487976	/nfs/dbraw/zinc/48/79/76/569487976.db2.gz	FRZYWDWMXPRLIX-GFCCVEGCSA-N	-1	0	434.474	0.602	50	0		ICAARM
Cn1c2nc(SCC(=O)[O-])n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000008934528	569487975	/nfs/dbraw/zinc/48/79/75/569487975.db2.gz	DCIPOXFVJUJCBF-JTQLQIEISA-N	-1	0	440.865	0.693	50	0		ICAARM
Cn1c2nc(SCC(=O)[O-])n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000008934529	569487978	/nfs/dbraw/zinc/48/79/78/569487978.db2.gz	DCIPOXFVJUJCBF-SNVBAGLBSA-N	-1	0	440.865	0.693	50	0		ICAARM
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000008952692	569490030	/nfs/dbraw/zinc/49/00/30/569490030.db2.gz	HLRNKNWIWDVDDM-WMZOPIPTSA-N	-1	0	444.488	0.711	50	0	biogenic	ICAARM
O=C([O-])[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O	ZINC000008971049	569492662	/nfs/dbraw/zinc/49/26/62/569492662.db2.gz	DVQOFFVZEQIKCM-ZWKOTPCHSA-N	-1	0	436.424	0.929	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000008972233	569492781	/nfs/dbraw/zinc/49/27/81/569492781.db2.gz	MKRQIDMKTSODAP-RDJZCZTQSA-N	-1	0	432.477	0.858	50	0	biogenic	ICAARM
CC(=O)NC1C(=O)N=C(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)N=C1[O-]	ZINC000008983878	556238291	/nfs/dbraw/zinc/23/82/91/556238291.db2.gz	DKASLFAORYAISJ-UHFFFAOYSA-N	-1	0	427.464	0.121	50	0		ICAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008995728	569495686	/nfs/dbraw/zinc/49/56/86/569495686.db2.gz	SEFNBRGIKIPITP-QJNYJZHLSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC(C)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000008996064	569495736	/nfs/dbraw/zinc/49/57/36/569495736.db2.gz	WSNTUMRERXKVGV-KRWDZBQOSA-N	-1	0	444.488	0.544	50	0		ICAARM
Cn1c([O-])c([C@@H]2c3cc(Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000009027563	569497028	/nfs/dbraw/zinc/49/70/28/569497028.db2.gz	JRLGUSYBRODHEA-NSHDSACASA-N	-1	0	432.820	0.126	50	0		ICAARM
Cn1c([O-])c([C@H]2c3cc(Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000009027565	569497054	/nfs/dbraw/zinc/49/70/54/569497054.db2.gz	JRLGUSYBRODHEA-LLVKDONJSA-N	-1	0	432.820	0.126	50	0		ICAARM
CC(C)C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000009041910	569497555	/nfs/dbraw/zinc/49/75/55/569497555.db2.gz	WHTJBIKPNFVUCW-HOTGVXAUSA-N	-1	0	430.461	0.709	50	0	biogenic	ICAARM
NC(=O)CC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009044484	569497962	/nfs/dbraw/zinc/49/79/62/569497962.db2.gz	RYBHOTGPLVVVMF-DLBZAZTESA-N	-1	0	438.440	0.721	50	0	biogenic	ICAARM
O=c1c(C(c2cccnc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000009055473	569498909	/nfs/dbraw/zinc/49/89/09/569498909.db2.gz	BYZYLYMHNGOZNW-UHFFFAOYSA-N	-1	0	429.483	0.998	50	0		ICAARM
O=C([O-])[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21	ZINC000009058576	132226658	/nfs/dbraw/zinc/22/66/58/132226658.db2.gz	VKGIMYBBMBJSKP-HOTGVXAUSA-N	-1	0	426.429	0.977	50	0	biogenic	ICAARM
CCOC(=O)NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	ZINC000009093282	569501228	/nfs/dbraw/zinc/50/12/28/569501228.db2.gz	FKILAWROCIYMPR-UHFFFAOYSA-N	-1	0	440.478	0.572	50	0		ICAARM
C[C@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000009128609	569505428	/nfs/dbraw/zinc/50/54/28/569505428.db2.gz	ICOXVXDTTNPHQX-HSBZDZAISA-N	-1	0	430.461	0.202	50	0		ICAARM
C[C@@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000009129296	569505709	/nfs/dbraw/zinc/50/57/09/569505709.db2.gz	ICOXVXDTTNPHQX-IYXRBSQSSA-N	-1	0	430.461	0.202	50	0		ICAARM
CNC(=S)N1N/C(=C2/C(=O)[N-]C(=O)N(CCCOC)C2=O)C[C@H]1c1ccc(OC)cc1	ZINC000009171454	569509389	/nfs/dbraw/zinc/50/93/89/569509389.db2.gz	YEDNHUQGURUSIF-RIBQPWQFSA-N	-1	0	447.517	0.820	50	0		ICAARM
CCn1c(C)cc2c(c1=O)[C@@]1(c3ccccc3N(CC(=O)[O-])C1=O)C(C(=O)OC)=C(N)O2	ZINC000009186423	569510173	/nfs/dbraw/zinc/51/01/73/569510173.db2.gz	OLEYYYAGGPGZSJ-QFIPXVFZSA-N	-1	0	439.424	0.630	50	0		ICAARM
CCn1c(C)cc2c(c1=O)[C@]1(c3ccccc3N(CC(=O)[O-])C1=O)C(C(=O)OC)=C(N)O2	ZINC000009186424	569510203	/nfs/dbraw/zinc/51/02/03/569510203.db2.gz	OLEYYYAGGPGZSJ-JOCHJYFZSA-N	-1	0	439.424	0.630	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)c(C)c3Cl)[C@H]2SC1	ZINC000009201572	569511134	/nfs/dbraw/zinc/51/11/34/569511134.db2.gz	PZTGCMIGAKBWKF-XHDPSFHLSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3Cl)[C@H]2SC1	ZINC000009201579	569511150	/nfs/dbraw/zinc/51/11/50/569511150.db2.gz	PZTGCMIGAKBWKF-IAQYHMDHSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)c(C)c3Cl)[C@@H]2SC1	ZINC000009201586	569511184	/nfs/dbraw/zinc/51/11/84/569511184.db2.gz	PZTGCMIGAKBWKF-NHYWBVRUSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3Cl)[C@@H]2SC1	ZINC000009201593	569511187	/nfs/dbraw/zinc/51/11/87/569511187.db2.gz	PZTGCMIGAKBWKF-ABAIWWIYSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)c(C)nn3C)[C@H]2SC1	ZINC000009201601	569511186	/nfs/dbraw/zinc/51/11/86/569511186.db2.gz	LJSRYNMAEYOESR-ZUZCIYMTSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Cl)c(C)nn3C)[C@H]2SC1	ZINC000009201607	569511185	/nfs/dbraw/zinc/51/11/85/569511185.db2.gz	LJSRYNMAEYOESR-MEBBXXQBSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)c(C)nn3C)[C@@H]2SC1	ZINC000009201613	569511138	/nfs/dbraw/zinc/51/11/38/569511138.db2.gz	LJSRYNMAEYOESR-BONVTDFDSA-N	-1	0	428.854	0.297	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Cl)c(C)nn3C)[C@@H]2SC1	ZINC000009201621	569511139	/nfs/dbraw/zinc/51/11/39/569511139.db2.gz	LJSRYNMAEYOESR-BMIGLBTASA-N	-1	0	428.854	0.297	50	0		ICAARM
CCOc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1S(=O)(=O)N1CCCC1	ZINC000009223992	569513065	/nfs/dbraw/zinc/51/30/65/569513065.db2.gz	UMKKZBHWSGKRJU-UHFFFAOYSA-N	-1	0	436.490	0.749	50	0		ICAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000009244779	569515159	/nfs/dbraw/zinc/51/51/59/569515159.db2.gz	GVNBVISBJAHKSD-LOWVWBTDSA-N	-1	0	434.451	0.899	50	0		ICAARM
COC(=O)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000009244780	569515140	/nfs/dbraw/zinc/51/51/40/569515140.db2.gz	GVNBVISBJAHKSD-WZRBSPASSA-N	-1	0	434.451	0.899	50	0		ICAARM
Cc1ccc(OC[C@H](O)Cn2c(NCCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000009291257	569519814	/nfs/dbraw/zinc/51/98/14/569519814.db2.gz	CMLQLCPZOLIUOW-CYBMUJFWSA-N	-1	0	431.449	0.069	50	0		ICAARM
Cc1ccc(OC[C@@H](O)Cn2c(NCCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000009291259	569519842	/nfs/dbraw/zinc/51/98/42/569519842.db2.gz	CMLQLCPZOLIUOW-ZDUSSCGKSA-N	-1	0	431.449	0.069	50	0		ICAARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000009331760	569523141	/nfs/dbraw/zinc/52/31/41/569523141.db2.gz	HNRJXKSXBFVSLS-WCBMZHEXSA-N	-1	0	428.142	0.675	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2SC1	ZINC000009355856	569525318	/nfs/dbraw/zinc/52/53/18/569525318.db2.gz	WOYJRZLLONOBTG-BXUZGUMPSA-N	-1	0	448.379	0.204	50	0		ICAARM
NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009357685	569525587	/nfs/dbraw/zinc/52/55/87/569525587.db2.gz	RYBHOTGPLVVVMF-IRXDYDNUSA-N	-1	0	438.440	0.309	50	0	biogenic	ICAARM
CC(C)Cn1c(N)c(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c(=O)n(C)c1=O	ZINC000009364968	569526070	/nfs/dbraw/zinc/52/60/70/569526070.db2.gz	VZVLLNUSICFIKV-UHFFFAOYSA-N	-1	0	427.417	0.076	50	0		ICAARM
Cn1c([O-])c([C@H]2c3cc4ccccc4nc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000009409627	569531091	/nfs/dbraw/zinc/53/10/91/569531091.db2.gz	YMJXDPSQLDCULQ-CYBMUJFWSA-N	-1	0	449.423	0.536	50	0		ICAARM
Cn1c([O-])c([C@@H]2c3cc4ccccc4nc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000009409628	569531054	/nfs/dbraw/zinc/53/10/54/569531054.db2.gz	YMJXDPSQLDCULQ-ZDUSSCGKSA-N	-1	0	449.423	0.536	50	0		ICAARM
CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=O)/C=C/C(=O)[O-])ccc3N3CCC[C@H]32)C1=O	ZINC000009429661	569533705	/nfs/dbraw/zinc/53/37/05/569533705.db2.gz	CIZNNSMPQWUGIF-KIUWMYQTSA-N	-1	0	426.429	0.828	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C)c(Cl)c3C)[C@H]2SC1	ZINC000009431462	569534178	/nfs/dbraw/zinc/53/41/78/569534178.db2.gz	BLUNHGIMHXEKIP-XJKSGUPXSA-N	-1	0	442.881	0.455	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)c(Cl)c3C)[C@H]2SC1	ZINC000009431464	569534196	/nfs/dbraw/zinc/53/41/96/569534196.db2.gz	BLUNHGIMHXEKIP-CZUORRHYSA-N	-1	0	442.881	0.455	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C)c(Cl)c3C)[C@@H]2SC1	ZINC000009431466	569534206	/nfs/dbraw/zinc/53/42/06/569534206.db2.gz	BLUNHGIMHXEKIP-BBRMVZONSA-N	-1	0	442.881	0.455	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)c(Cl)c3C)[C@@H]2SC1	ZINC000009431467	569534184	/nfs/dbraw/zinc/53/41/84/569534184.db2.gz	BLUNHGIMHXEKIP-CJNGLKHVSA-N	-1	0	442.881	0.455	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Cl)c(C)n3)[C@H]2SC1	ZINC000009431502	569534204	/nfs/dbraw/zinc/53/42/04/569534204.db2.gz	OPRDUUDHDNBZRG-YYDSMBMDSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3cc(Cl)c(C)n3)[C@H]2SC1	ZINC000009431503	569534186	/nfs/dbraw/zinc/53/41/86/569534186.db2.gz	OPRDUUDHDNBZRG-JIYNIHLBSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3ncc(Cl)c3C)[C@H]2SC1	ZINC000009431522	569534190	/nfs/dbraw/zinc/53/41/90/569534190.db2.gz	MUMUPZUTYIGMKN-SWLSCSKDSA-N	-1	0	428.854	0.147	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3ncc(Cl)c3C)[C@H]2SC1	ZINC000009431524	569534173	/nfs/dbraw/zinc/53/41/73/569534173.db2.gz	MUMUPZUTYIGMKN-IUODEOHRSA-N	-1	0	428.854	0.147	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3ncc(Cl)c3C)[C@@H]2SC1	ZINC000009431525	569534207	/nfs/dbraw/zinc/53/42/07/569534207.db2.gz	MUMUPZUTYIGMKN-WFASDCNBSA-N	-1	0	428.854	0.147	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3ncc(Cl)c3C)[C@@H]2SC1	ZINC000009431526	569534187	/nfs/dbraw/zinc/53/41/87/569534187.db2.gz	MUMUPZUTYIGMKN-DOMZBBRYSA-N	-1	0	428.854	0.147	50	0		ICAARM
CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=O)/C=C/C(=O)[O-])ccc3N3CCC[C@@H]32)C1=O	ZINC000009433898	569534640	/nfs/dbraw/zinc/53/46/40/569534640.db2.gz	CIZNNSMPQWUGIF-MVGZEHJDSA-N	-1	0	426.429	0.828	50	0		ICAARM
CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)[n-]n(-c3ccccc3)c2=O)c1	ZINC000009492042	569540506	/nfs/dbraw/zinc/54/05/06/569540506.db2.gz	VGDFYFLGYAHNTM-UHFFFAOYSA-N	-1	0	445.501	0.997	50	0		ICAARM
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2[n-]c(=O)ccc2=O)cc1	ZINC000009494002	569540785	/nfs/dbraw/zinc/54/07/85/569540785.db2.gz	RFGNTVZOJWMPPZ-UHFFFAOYSA-N	-1	0	428.470	0.996	50	0		ICAARM
CN(c1ccc(-c2csc(NC(=O)Cn3[n-]c(=O)ccc3=O)n2)cc1)S(C)(=O)=O	ZINC000009495147	569541013	/nfs/dbraw/zinc/54/10/13/569541013.db2.gz	DDZADWMPRQZSFL-UHFFFAOYSA-N	-1	0	435.487	0.695	50	0		ICAARM
CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCOCC3)[n-]c2=O)cc1	ZINC000009518165	569543918	/nfs/dbraw/zinc/54/39/18/569543918.db2.gz	JULDWYDMNULCNR-UHFFFAOYSA-N	-1	0	433.490	0.954	50	0		ICAARM
CCOC(=O)CNC(=O)CSc1nc(N)c(NC(=O)c2ccc(OCC)cc2)c(=O)[n-]1	ZINC000009518174	569543906	/nfs/dbraw/zinc/54/39/06/569543906.db2.gz	PDNUONLJDHUGEP-UHFFFAOYSA-N	-1	0	449.489	0.775	50	0		ICAARM
COCCNC(=O)CSc1nc(NC(C)=O)c(NC(=O)c2cccs2)c(=O)[n-]1	ZINC000009518270	568883589	/nfs/dbraw/zinc/88/35/89/568883589.db2.gz	GQQCARSLTNOYFZ-UHFFFAOYSA-N	-1	0	425.492	0.897	50	0		ICAARM
O=C(COC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)NC(=O)NC1CCCCC1	ZINC000009545935	562973142	/nfs/dbraw/zinc/97/31/42/562973142.db2.gz	OXRJPABTKSJPND-UHFFFAOYSA-N	-1	0	433.433	0.945	50	0		ICAARM
Cc1ccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1S(=O)(=O)N1CCCCC1	ZINC000009580376	569548765	/nfs/dbraw/zinc/54/87/65/569548765.db2.gz	DRYXBSKWABFMIR-UHFFFAOYSA-N	-1	0	439.519	0.672	50	0		ICAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CN3C(=O)CNC3=O)ccc2OC)cc1	ZINC000009591048	562973682	/nfs/dbraw/zinc/97/36/82/562973682.db2.gz	DFQJUDGMNSTYHE-UHFFFAOYSA-N	-1	0	448.457	0.995	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3cc(Cl)cn3)[C@H]2SC1	ZINC000010127189	562978434	/nfs/dbraw/zinc/97/84/34/562978434.db2.gz	VPIBZGSOORZASO-YYDSMBMDSA-N	-1	0	442.881	0.474	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)Cn3cc(Cl)cn3)[C@H]2SC1	ZINC000010127190	562978481	/nfs/dbraw/zinc/97/84/81/562978481.db2.gz	VPIBZGSOORZASO-JIYNIHLBSA-N	-1	0	442.881	0.474	50	0		ICAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	ZINC000010188039	569578754	/nfs/dbraw/zinc/57/87/54/569578754.db2.gz	UIHGWUIWGVWVES-UHFFFAOYSA-N	-1	0	437.455	0.295	50	0		ICAARM
COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c(OC)c1	ZINC000010271963	132335271	/nfs/dbraw/zinc/33/52/71/132335271.db2.gz	FJGNXSODOQDAHB-NSHDSACASA-N	-1	0	429.433	0.786	50	0		ICAARM
COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c(OC)c1	ZINC000010271964	536708060	/nfs/dbraw/zinc/70/80/60/536708060.db2.gz	FJGNXSODOQDAHB-LLVKDONJSA-N	-1	0	429.433	0.786	50	0		ICAARM
Cn1c2nc(NCCC(=O)[O-])n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000010274128	569580367	/nfs/dbraw/zinc/58/03/67/569580367.db2.gz	BXKXWUNRLKEWPL-NSHDSACASA-N	-1	0	437.840	0.403	50	0		ICAARM
Cn1c2nc(NCCC(=O)[O-])n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000010274129	569580347	/nfs/dbraw/zinc/58/03/47/569580347.db2.gz	BXKXWUNRLKEWPL-LLVKDONJSA-N	-1	0	437.840	0.403	50	0		ICAARM
Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CC(=O)[O-])c2c(=O)n(C)c1=O	ZINC000011693969	132338643	/nfs/dbraw/zinc/33/86/43/132338643.db2.gz	DAKYYVMJUIOYHH-UHFFFAOYSA-N	-1	0	432.868	0.498	50	0		ICAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000011858353	556663935	/nfs/dbraw/zinc/66/39/35/556663935.db2.gz	QJCGBVDEQQLUKG-UHFFFAOYSA-N	-1	0	439.471	0.661	50	0		ICAARM
COc1cc2oc(=O)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c(C)c2cc1OC	ZINC000011865471	556665301	/nfs/dbraw/zinc/66/53/01/556665301.db2.gz	APYYCDDHZKGHJO-CYBMUJFWSA-N	-1	0	435.433	0.679	50	0		ICAARM
Cc1c(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])ccc2c3c(c(=O)oc12)CCC3	ZINC000011866823	556667030	/nfs/dbraw/zinc/66/70/30/556667030.db2.gz	LXTPCZLWHLPCAR-HNNXBMFYSA-N	-1	0	431.445	0.987	50	0		ICAARM
Cc1ccc(OC[C@@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000012289101	525431532	/nfs/dbraw/zinc/43/15/32/525431532.db2.gz	MAEIAFRMSDXBNR-LBPRGKRZSA-N	-1	0	434.474	0.359	50	0		ICAARM
Cc1ccc(OC[C@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000012289102	525439751	/nfs/dbraw/zinc/43/97/51/525439751.db2.gz	MAEIAFRMSDXBNR-GFCCVEGCSA-N	-1	0	434.474	0.359	50	0		ICAARM
O=C([O-])CNC(=O)CNC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1	ZINC000012296599	527610533	/nfs/dbraw/zinc/61/05/33/527610533.db2.gz	ZHSGGVOSRMFOCI-UHFFFAOYSA-N	-1	0	426.381	0.861	50	0	biogenic	ICAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)N[C@@H]1CCS(=O)(=O)C1	ZINC000012321328	527338262	/nfs/dbraw/zinc/33/82/62/527338262.db2.gz	ZVTPDHYGCOTGCH-LLVKDONJSA-N	-1	0	433.508	0.929	50	0		ICAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)N[C@H]1CCS(=O)(=O)C1	ZINC000012321329	527338385	/nfs/dbraw/zinc/33/83/85/527338385.db2.gz	ZVTPDHYGCOTGCH-NSHDSACASA-N	-1	0	433.508	0.929	50	0		ICAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1	ZINC000012321877	525089864	/nfs/dbraw/zinc/08/98/64/525089864.db2.gz	BEHPWGMZOOYJRQ-LLVKDONJSA-N	-1	0	445.544	0.798	50	0		ICAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1	ZINC000012321878	525089043	/nfs/dbraw/zinc/08/90/43/525089043.db2.gz	BEHPWGMZOOYJRQ-NSHDSACASA-N	-1	0	445.544	0.798	50	0		ICAARM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1-n1cnnn1	ZINC000012371427	556403627	/nfs/dbraw/zinc/40/36/27/556403627.db2.gz	RIQJMJMBEBHBMT-UHFFFAOYSA-N	-1	0	432.418	0.286	50	0	biogenic,in-vitro	ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3cc(Cl)cn3)[C@@H]2SC1	ZINC000012406532	557830153	/nfs/dbraw/zinc/83/01/53/557830153.db2.gz	VPIBZGSOORZASO-WLTZMBQTSA-N	-1	0	442.881	0.474	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)Cn3cc(Cl)cn3)[C@@H]2SC1	ZINC000012406536	557830240	/nfs/dbraw/zinc/83/02/40/557830240.db2.gz	VPIBZGSOORZASO-CVKUXFQVSA-N	-1	0	442.881	0.474	50	0		ICAARM
CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12	ZINC000012413640	523691345	/nfs/dbraw/zinc/69/13/45/523691345.db2.gz	BNXPSULGYKFPLC-MEBBXXQBSA-N	-1	0	428.854	0.472	50	0		ICAARM
Cc1ccc(Cl)cc1N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])CC1	ZINC000012443291	524737209	/nfs/dbraw/zinc/73/72/09/524737209.db2.gz	BFSAYHZNPBFDAA-UHFFFAOYSA-N	-1	0	432.868	0.796	50	0		ICAARM
CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1	ZINC000012507936	520015221	/nfs/dbraw/zinc/01/52/21/520015221.db2.gz	JOHRFRVGBKBSEE-CHWSQXEVSA-N	-1	0	432.520	0.639	50	0		ICAARM
CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1	ZINC000012507937	520015175	/nfs/dbraw/zinc/01/51/75/520015175.db2.gz	JOHRFRVGBKBSEE-OLZOCXBDSA-N	-1	0	432.520	0.639	50	0		ICAARM
CCN(C(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1	ZINC000012507938	520041571	/nfs/dbraw/zinc/04/15/71/520041571.db2.gz	JOHRFRVGBKBSEE-QWHCGFSZSA-N	-1	0	432.520	0.639	50	0		ICAARM
CCN(C(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1	ZINC000012507939	520041101	/nfs/dbraw/zinc/04/11/01/520041101.db2.gz	JOHRFRVGBKBSEE-STQMWFEESA-N	-1	0	432.520	0.639	50	0		ICAARM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	ZINC000012521387	522293860	/nfs/dbraw/zinc/29/38/60/522293860.db2.gz	JDPACVYGMKFYSY-UHFFFAOYSA-N	-1	0	445.544	0.836	50	0		ICAARM
CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1	ZINC000012525888	521988438	/nfs/dbraw/zinc/98/84/38/521988438.db2.gz	YDWJSWSUDYOIHB-UHFFFAOYSA-N	-1	0	435.505	0.091	50	0		ICAARM
CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000012526150	521988155	/nfs/dbraw/zinc/98/81/55/521988155.db2.gz	LUTWGVWWKFGBCN-UHFFFAOYSA-N	-1	0	434.517	0.847	50	0		ICAARM
C[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1)C(=O)[O-]	ZINC000012654467	524961577	/nfs/dbraw/zinc/96/15/77/524961577.db2.gz	QGXQTNBIHQPKMZ-MAUKXSAKSA-N	-1	0	427.457	0.498	50	0	biogenic	ICAARM
Cn1c([O-])c([C@H]2Cc3ccccc3CC23C(=O)N(C)C(=O)N(C)C3=O)c(=O)n(C)c1=O	ZINC000012661173	523682500	/nfs/dbraw/zinc/68/25/00/523682500.db2.gz	MJLXVVSBXYZYSR-CYBMUJFWSA-N	-1	0	426.429	0.105	50	0	biogenic	ICAARM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1	ZINC000012745298	519979068	/nfs/dbraw/zinc/97/90/68/519979068.db2.gz	OYDAXGZTORHYRV-UHFFFAOYSA-N	-1	0	433.533	0.823	50	0		ICAARM
CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000012756478	521693871	/nfs/dbraw/zinc/69/38/71/521693871.db2.gz	CMWIJFQTTOGMFZ-UHFFFAOYSA-N	-1	0	440.485	0.983	50	0		ICAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012864812	519819534	/nfs/dbraw/zinc/81/95/34/519819534.db2.gz	GLVCIOVUDRIFHG-SNPRPXQTSA-N	-1	0	429.514	0.725	50	0	biogenic	ICAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1	ZINC000012870894	519819538	/nfs/dbraw/zinc/81/95/38/519819538.db2.gz	WQGXQYKZNLCOCC-INIZCTEOSA-N	-1	0	442.513	0.091	50	0	biogenic	ICAARM
COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1OC	ZINC000012875154	521934325	/nfs/dbraw/zinc/93/43/25/521934325.db2.gz	JATVUJIRDDRKSB-ONEGZZNKSA-N	-1	0	439.446	0.164	50	0		ICAARM
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCCC(=O)[O-]	ZINC000012880930	519819716	/nfs/dbraw/zinc/81/97/16/519819716.db2.gz	QDUWSBZPFHRXMS-DJJJIMSYSA-N	-1	0	433.461	0.542	50	0	biogenic	ICAARM
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-]	ZINC000012881094	521970502	/nfs/dbraw/zinc/97/05/02/521970502.db2.gz	KCGABCXZDOFBHR-MNUAXYBXSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-]	ZINC000012881102	522379296	/nfs/dbraw/zinc/37/92/96/522379296.db2.gz	KCGABCXZDOFBHR-QJNYJZHLSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-]	ZINC000012881109	521967382	/nfs/dbraw/zinc/96/73/82/521967382.db2.gz	KCGABCXZDOFBHR-PJHJGJPPSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000012882324	519819717	/nfs/dbraw/zinc/81/97/17/519819717.db2.gz	YMHUCMAAVNQRAK-LXIYXOSZSA-N	-1	0	433.461	0.541	50	0	biogenic	ICAARM
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000012882331	519819553	/nfs/dbraw/zinc/81/95/53/519819553.db2.gz	YMHUCMAAVNQRAK-JCGVRSQUSA-N	-1	0	433.461	0.541	50	0	biogenic	ICAARM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000012882601	521969428	/nfs/dbraw/zinc/96/94/28/521969428.db2.gz	SEFNBRGIKIPITP-MNUAXYBXSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000012882608	521967567	/nfs/dbraw/zinc/96/75/67/521967567.db2.gz	SEFNBRGIKIPITP-PJHJGJPPSA-N	-1	0	447.488	0.931	50	0	biogenic	ICAARM
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000012885820	525858586	/nfs/dbraw/zinc/85/85/86/525858586.db2.gz	XZQUEDHAINZOCF-BVGQSLNGSA-N	-1	0	425.441	0.434	50	0	biogenic	ICAARM
C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000012885825	525842910	/nfs/dbraw/zinc/84/29/10/525842910.db2.gz	XZQUEDHAINZOCF-KKXDTOCCSA-N	-1	0	425.441	0.434	50	0	biogenic	ICAARM
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888837	521970342	/nfs/dbraw/zinc/97/03/42/521970342.db2.gz	NKLARHDZJWJDSF-OWQGQXMQSA-N	-1	0	446.504	0.836	50	0	biogenic	ICAARM
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000012889643	522374159	/nfs/dbraw/zinc/37/41/59/522374159.db2.gz	RLBFZVSKROAFPO-ZUCKAHLUSA-N	-1	0	433.465	0.404	50	0	biogenic	ICAARM
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000012889649	521963181	/nfs/dbraw/zinc/96/31/81/521963181.db2.gz	RLBFZVSKROAFPO-BNLOLNQZSA-N	-1	0	433.465	0.404	50	0	biogenic	ICAARM
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1	ZINC000012895209	526288677	/nfs/dbraw/zinc/28/86/77/526288677.db2.gz	CCLMHVYLYHZXFA-UKMLZYKCSA-N	-1	0	441.937	0.639	50	0	biogenic	ICAARM
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1	ZINC000012895214	526290526	/nfs/dbraw/zinc/29/05/26/526290526.db2.gz	CCLMHVYLYHZXFA-TUUVXOQKSA-N	-1	0	441.937	0.639	50	0	biogenic	ICAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000013017281	569307141	/nfs/dbraw/zinc/30/71/41/569307141.db2.gz	GVNBVISBJAHKSD-DMDPSCGWSA-N	-1	0	434.451	0.899	50	0		ICAARM
CNC(=S)N1N/C(=C2/C(=O)[N-]C(=O)N(CCCOC)C2=O)C[C@@H]1c1ccc(OC)cc1	ZINC000013592490	556530623	/nfs/dbraw/zinc/53/06/23/556530623.db2.gz	YEDNHUQGURUSIF-VZHUHSAUSA-N	-1	0	447.517	0.820	50	0		ICAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CC(=O)N2CCOCC2)CO1	ZINC000013608781	556533774	/nfs/dbraw/zinc/53/37/74/556533774.db2.gz	LJRXAZPSMRPWOA-UHFFFAOYSA-N	-1	0	437.474	0.019	50	0		ICAARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013638170	556541634	/nfs/dbraw/zinc/54/16/34/556541634.db2.gz	KTZBKBYNAJZBEW-UHFFFAOYSA-N	-1	0	427.464	0.035	50	0		ICAARM
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1	ZINC000013643096	556543016	/nfs/dbraw/zinc/54/30/16/556543016.db2.gz	OUNSNTBTBVECJE-UHFFFAOYSA-N	-1	0	439.519	0.888	50	0		ICAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1	ZINC000013643327	556543048	/nfs/dbraw/zinc/54/30/48/556543048.db2.gz	QMTXUYDVCVPMDJ-CYBMUJFWSA-N	-1	0	439.519	0.888	50	0		ICAARM
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C1	ZINC000013643330	556542922	/nfs/dbraw/zinc/54/29/22/556542922.db2.gz	QMTXUYDVCVPMDJ-ZDUSSCGKSA-N	-1	0	439.519	0.888	50	0		ICAARM
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O)c1ccccc1	ZINC000013829346	556316704	/nfs/dbraw/zinc/31/67/04/556316704.db2.gz	NXYCBMGKNCJXIC-CNEMSGBDSA-N	-1	0	433.317	0.853	50	0	in-vitro	ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3ccc(C(F)(F)F)n3)[C@@H]2SC1	ZINC000013847964	556319860	/nfs/dbraw/zinc/31/98/60/556319860.db2.gz	WOYJRZLLONOBTG-FZMZJTMJSA-N	-1	0	448.379	0.204	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2SC1	ZINC000013847967	556319829	/nfs/dbraw/zinc/31/98/29/556319829.db2.gz	WOYJRZLLONOBTG-SMDDNHRTSA-N	-1	0	448.379	0.204	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3ccc(C(F)(F)F)n3)[C@@H]2SC1	ZINC000013847970	556319819	/nfs/dbraw/zinc/31/98/19/556319819.db2.gz	WOYJRZLLONOBTG-RISCZKNCSA-N	-1	0	448.379	0.204	50	0		ICAARM
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000015959428	568860220	/nfs/dbraw/zinc/86/02/20/568860220.db2.gz	IMWXYFOBMBVTQY-ABXWRUBCSA-N	-1	0	442.513	0.267	50	0		ICAARM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1	ZINC000015959429	568860269	/nfs/dbraw/zinc/86/02/69/568860269.db2.gz	IMWXYFOBMBVTQY-BLYZHGLHSA-N	-1	0	442.513	0.267	50	0		ICAARM
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1	ZINC000015959430	568860349	/nfs/dbraw/zinc/86/03/49/568860349.db2.gz	IMWXYFOBMBVTQY-GFJIZPEISA-N	-1	0	442.513	0.267	50	0		ICAARM
CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]23)n1	ZINC000016193264	523397712	/nfs/dbraw/zinc/39/77/12/523397712.db2.gz	FLBVSFICUQZEDV-NHYWBVRUSA-N	-1	0	428.854	0.472	50	0		ICAARM
CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]23)n1	ZINC000016193267	556589046	/nfs/dbraw/zinc/58/90/46/556589046.db2.gz	FLBVSFICUQZEDV-ABAIWWIYSA-N	-1	0	428.854	0.472	50	0		ICAARM
CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@H]23)n1	ZINC000016193269	556589059	/nfs/dbraw/zinc/58/90/59/556589059.db2.gz	FLBVSFICUQZEDV-XHDPSFHLSA-N	-1	0	428.854	0.472	50	0		ICAARM
CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(COC(C)=O)CS[C@H]23)n1	ZINC000016193272	523398095	/nfs/dbraw/zinc/39/80/95/523398095.db2.gz	FLBVSFICUQZEDV-IAQYHMDHSA-N	-1	0	428.854	0.472	50	0		ICAARM
Cn1c2nc(NCC(=O)[O-])n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O	ZINC000016839448	527122479	/nfs/dbraw/zinc/12/24/79/527122479.db2.gz	NFHPPOVOSQWJPV-SNVBAGLBSA-N	-1	0	437.840	0.024	50	0		ICAARM
Cn1c2nc(NCC(=O)[O-])n(C[C@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O	ZINC000016839450	527122863	/nfs/dbraw/zinc/12/28/63/527122863.db2.gz	NFHPPOVOSQWJPV-JTQLQIEISA-N	-1	0	437.840	0.024	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3cc(Cl)c(C)n3)[C@@H]2SC1	ZINC000017096173	556659932	/nfs/dbraw/zinc/65/99/32/556659932.db2.gz	BTAQSOQQKIACOU-WFASDCNBSA-N	-1	0	428.854	0.147	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3cc(Cl)c(C)n3)[C@H]2SC1	ZINC000017096174	519755246	/nfs/dbraw/zinc/75/52/46/519755246.db2.gz	BTAQSOQQKIACOU-SWLSCSKDSA-N	-1	0	428.854	0.147	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3cc(Cl)c(C)n3)[C@@H]2SC1	ZINC000017096175	556660023	/nfs/dbraw/zinc/66/00/23/556660023.db2.gz	BTAQSOQQKIACOU-DOMZBBRYSA-N	-1	0	428.854	0.147	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3cc(Cl)c(C)n3)[C@H]2SC1	ZINC000017096176	556660025	/nfs/dbraw/zinc/66/00/25/556660025.db2.gz	BTAQSOQQKIACOU-IUODEOHRSA-N	-1	0	428.854	0.147	50	0		ICAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000018045866	557234681	/nfs/dbraw/zinc/23/46/81/557234681.db2.gz	JXDAKCXPAFIESZ-CMPLNLGQSA-N	-1	0	441.181	0.540	50	0		ICAARM
O=c1c(C(c2ccncc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000018141492	557242902	/nfs/dbraw/zinc/24/29/02/557242902.db2.gz	ACJIISHLOYDMTH-UHFFFAOYSA-N	-1	0	429.483	0.998	50	0		ICAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@@H](C)C(=O)OC)CC3)nc21	ZINC000018191259	557246399	/nfs/dbraw/zinc/24/63/99/557246399.db2.gz	GDAHUIAAXNPEJZ-NSHDSACASA-N	-1	0	448.505	0.068	50	0		ICAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@H](C)C(=O)OC)CC3)nc21	ZINC000018191261	523349832	/nfs/dbraw/zinc/34/98/32/523349832.db2.gz	GDAHUIAAXNPEJZ-LLVKDONJSA-N	-1	0	448.505	0.068	50	0		ICAARM
COC(=O)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(C)nc(OC)n2)c2ccccc2n1C	ZINC000018194536	557247332	/nfs/dbraw/zinc/24/73/32/557247332.db2.gz	NXVZQNWYZQDTMP-UHFFFAOYSA-N	-1	0	434.434	0.977	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3cc(Cl)c(C)n3)[C@@H]2SC1	ZINC000019637195	556835780	/nfs/dbraw/zinc/83/57/80/556835780.db2.gz	RXQNKTLBJBVSKQ-BBRMVZONSA-N	-1	0	442.881	0.537	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3cc(Cl)c(C)n3)[C@H]2SC1	ZINC000019637199	556835741	/nfs/dbraw/zinc/83/57/41/556835741.db2.gz	RXQNKTLBJBVSKQ-XJKSGUPXSA-N	-1	0	442.881	0.537	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3cc(Cl)c(C)n3)[C@@H]2SC1	ZINC000019637203	556836047	/nfs/dbraw/zinc/83/60/47/556836047.db2.gz	RXQNKTLBJBVSKQ-CJNGLKHVSA-N	-1	0	442.881	0.537	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3cc(Cl)c(C)n3)[C@H]2SC1	ZINC000019637207	556836033	/nfs/dbraw/zinc/83/60/33/556836033.db2.gz	RXQNKTLBJBVSKQ-CZUORRHYSA-N	-1	0	442.881	0.537	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3ncc(Cl)c3C)[C@@H]2SC1	ZINC000019637211	556835949	/nfs/dbraw/zinc/83/59/49/556835949.db2.gz	ICFQQTYZKVRPQK-WLTZMBQTSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3ncc(Cl)c3C)[C@@H]2SC1	ZINC000019637214	556835962	/nfs/dbraw/zinc/83/59/62/556835962.db2.gz	ICFQQTYZKVRPQK-CVKUXFQVSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Cl)c(C)n3)[C@@H]2SC1	ZINC000019637227	556836031	/nfs/dbraw/zinc/83/60/31/556836031.db2.gz	OPRDUUDHDNBZRG-WLTZMBQTSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3cc(Cl)c(C)n3)[C@@H]2SC1	ZINC000019637231	556835990	/nfs/dbraw/zinc/83/59/90/556835990.db2.gz	OPRDUUDHDNBZRG-CVKUXFQVSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1	ZINC000019640115	556836851	/nfs/dbraw/zinc/83/68/51/556836851.db2.gz	VGIIZXGKYIOMQQ-NHYWBVRUSA-N	-1	0	444.416	0.810	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@H]2SC1	ZINC000019640124	556836999	/nfs/dbraw/zinc/83/69/99/556836999.db2.gz	VGIIZXGKYIOMQQ-XHDPSFHLSA-N	-1	0	444.416	0.810	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@@H]2SC1	ZINC000019640131	556836994	/nfs/dbraw/zinc/83/69/94/556836994.db2.gz	VGIIZXGKYIOMQQ-ABAIWWIYSA-N	-1	0	444.416	0.810	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(C)nn(C(F)F)c3C)[C@H]2SC1	ZINC000019640137	556836949	/nfs/dbraw/zinc/83/69/49/556836949.db2.gz	VGIIZXGKYIOMQQ-IAQYHMDHSA-N	-1	0	444.416	0.810	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)cc3C)[C@@H]2SC1	ZINC000019640141	556837180	/nfs/dbraw/zinc/83/71/80/556837180.db2.gz	WEDRVWSOQKXMFE-LRDDRELGSA-N	-1	0	444.416	0.431	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)cc3C)[C@H]2SC1	ZINC000019640147	556837142	/nfs/dbraw/zinc/83/71/42/556837142.db2.gz	WEDRVWSOQKXMFE-BLLLJJGKSA-N	-1	0	444.416	0.431	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)cc3C)[C@@H]2SC1	ZINC000019640153	556837125	/nfs/dbraw/zinc/83/71/25/556837125.db2.gz	WEDRVWSOQKXMFE-WBMJQRKESA-N	-1	0	444.416	0.431	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)cc3C)[C@H]2SC1	ZINC000019640159	556837118	/nfs/dbraw/zinc/83/71/18/556837118.db2.gz	WEDRVWSOQKXMFE-MLGOLLRUSA-N	-1	0	444.416	0.431	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@@H]2SC1	ZINC000019646951	556840675	/nfs/dbraw/zinc/84/06/75/556840675.db2.gz	XKUDAVBEVWNXBA-HZMBPMFUSA-N	-1	0	448.379	0.354	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@H]2SC1	ZINC000019646954	519755159	/nfs/dbraw/zinc/75/51/59/519755159.db2.gz	XKUDAVBEVWNXBA-IINYFYTJSA-N	-1	0	448.379	0.354	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@@H]2SC1	ZINC000019646958	556840746	/nfs/dbraw/zinc/84/07/46/556840746.db2.gz	XKUDAVBEVWNXBA-YGRLFVJLSA-N	-1	0	448.379	0.354	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)[C@H]2SC1	ZINC000019646961	556840699	/nfs/dbraw/zinc/84/06/99/556840699.db2.gz	XKUDAVBEVWNXBA-QMTHXVAHSA-N	-1	0	448.379	0.354	50	0		ICAARM
C[C@H](O)[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000019879034	569257056	/nfs/dbraw/zinc/25/70/56/569257056.db2.gz	BCWYNKKHXKDZKQ-DFEHZGFQSA-N	-1	0	428.441	0.981	50	0		ICAARM
C[C@@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1)C(=O)[O-]	ZINC000020059815	569332994	/nfs/dbraw/zinc/33/29/94/569332994.db2.gz	PKPWMLVNGDMMBW-MWLCHTKSSA-N	-1	0	437.840	0.814	50	0		ICAARM
C[C@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1)C(=O)[O-]	ZINC000020059818	569333020	/nfs/dbraw/zinc/33/30/20/569333020.db2.gz	PKPWMLVNGDMMBW-GXSJLCMTSA-N	-1	0	437.840	0.814	50	0		ICAARM
C[C@@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1)C(=O)[O-]	ZINC000020059821	569333000	/nfs/dbraw/zinc/33/30/00/569333000.db2.gz	PKPWMLVNGDMMBW-KOLCDFICSA-N	-1	0	437.840	0.814	50	0		ICAARM
C[C@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1)C(=O)[O-]	ZINC000020059824	569333040	/nfs/dbraw/zinc/33/30/40/569333040.db2.gz	PKPWMLVNGDMMBW-ONGXEEELSA-N	-1	0	437.840	0.814	50	0		ICAARM
COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(C(=O)[O-])c1)CN=3)C(=O)N2	ZINC000020070093	569333394	/nfs/dbraw/zinc/33/33/94/569333394.db2.gz	XKFBMORVBFMYTM-MSUUIHNZSA-N	-1	0	436.449	0.823	50	0		ICAARM
COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C(=O)[O-])cc1)CN=3)C(=O)N2	ZINC000020070095	569333352	/nfs/dbraw/zinc/33/33/52/569333352.db2.gz	RYFNXUKFOZTKFK-MSUUIHNZSA-N	-1	0	436.449	0.823	50	0		ICAARM
COc1cc2c(cc1OC)CN(C(=O)Cn1c(=O)[nH]c3ccccc3c1=O)[C@@H](C(=O)[O-])C2	ZINC000020426256	557015549	/nfs/dbraw/zinc/01/55/49/557015549.db2.gz	RVHDHUPSFAAQNR-MRXNPFEDSA-N	-1	0	439.424	0.745	50	0		ICAARM
Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000020426862	557015884	/nfs/dbraw/zinc/01/58/84/557015884.db2.gz	JNHUZRACNYXXJJ-UHFFFAOYSA-N	-1	0	444.560	0.970	50	0		ICAARM
NS(=O)(=O)c1ccc(CCNC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1	ZINC000020618356	527309472	/nfs/dbraw/zinc/30/94/72/527309472.db2.gz	SVEZOZVHOIKKCW-UHFFFAOYSA-N	-1	0	436.515	0.795	50	0		ICAARM
Cc1sc([N-]S(=O)(=O)c2ccccc2)nc1C(=O)N1CCN(S(C)(=O)=O)CC1	ZINC000020720939	526884785	/nfs/dbraw/zinc/88/47/85/526884785.db2.gz	OCDHXJMMZKIEKA-UHFFFAOYSA-N	-1	0	444.560	0.970	50	0		ICAARM
O=c1[nH]c2nc(-c3ccc4c(c3)OCO4)c(-c3c(=O)[nH]c(=O)[nH]c3-n3cccc3)c-2c([O-])[nH]1	ZINC000020896840	527441183	/nfs/dbraw/zinc/44/11/83/527441183.db2.gz	CLIOXPSDTNJZAT-UHFFFAOYSA-N	-1	0	446.379	0.775	50	0		ICAARM
Cn1c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2c(=O)n(CC(=O)N2CCCC2)c1=O	ZINC000021711262	527105815	/nfs/dbraw/zinc/10/58/15/527105815.db2.gz	VSAPSAIKWOBJJK-UHFFFAOYSA-N	-1	0	443.485	0.518	50	0		ICAARM
Cn1c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2c(=O)n(CC(=O)N2CCCC2)c1=O	ZINC000021711432	527105674	/nfs/dbraw/zinc/10/56/74/527105674.db2.gz	FRSKUPBJIHQIGI-UHFFFAOYSA-N	-1	0	443.485	0.518	50	0		ICAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O	ZINC000023078761	556996203	/nfs/dbraw/zinc/99/62/03/556996203.db2.gz	IBZPTHHXYWSPRV-YEJXKQKISA-N	-1	0	431.445	0.996	50	0		ICAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O	ZINC000023078763	556996171	/nfs/dbraw/zinc/99/61/71/556996171.db2.gz	IBZPTHHXYWSPRV-ZSEKCTLFSA-N	-1	0	431.445	0.996	50	0		ICAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O	ZINC000023078765	556996251	/nfs/dbraw/zinc/99/62/51/556996251.db2.gz	IBZPTHHXYWSPRV-LRTDBIEQSA-N	-1	0	431.445	0.996	50	0		ICAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O	ZINC000023078767	556996184	/nfs/dbraw/zinc/99/61/84/556996184.db2.gz	IBZPTHHXYWSPRV-ASSNKEHSSA-N	-1	0	431.445	0.996	50	0		ICAARM
CCc1cccc(OC[C@@H](O)Cn2c(NCCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)c1	ZINC000023115151	557005562	/nfs/dbraw/zinc/00/55/62/557005562.db2.gz	WKBCGMQWVPEQDU-ZDUSSCGKSA-N	-1	0	431.449	0.725	50	0		ICAARM
CCc1cccc(OC[C@H](O)Cn2c(NCCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)c1	ZINC000023115153	557005535	/nfs/dbraw/zinc/00/55/35/557005535.db2.gz	WKBCGMQWVPEQDU-CYBMUJFWSA-N	-1	0	431.449	0.725	50	0		ICAARM
Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccccc1[N-]S(C)(=O)=O)c(=O)n2C	ZINC000024536233	557150379	/nfs/dbraw/zinc/15/03/79/557150379.db2.gz	NMLZWOTXDHMLSA-UHFFFAOYSA-N	-1	0	435.462	0.052	50	0		ICAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H]4CC(=O)N(C)C4=O)CC3)cc21	ZINC000025059159	557192719	/nfs/dbraw/zinc/19/27/19/557192719.db2.gz	XMUASEWSOKLMOO-KRWDZBQOSA-N	-1	0	430.436	0.738	50	0		ICAARM
CC(C)[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000032096018	569459924	/nfs/dbraw/zinc/45/99/24/569459924.db2.gz	CZOQRVZEXJNJQT-SFHVURJKSA-N	-1	0	443.497	0.664	50	0		ICAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cn4cncn4)cc3)cc21	ZINC000032592335	556406977	/nfs/dbraw/zinc/40/69/77/556406977.db2.gz	WOJHTWSPLKTLJB-UHFFFAOYSA-N	-1	0	443.441	0.937	50	0		ICAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCN1C(=O)SC(=Cc2ccccc2F)C1=O	ZINC000032913642	557318208	/nfs/dbraw/zinc/31/82/08/557318208.db2.gz	OUKJCDCTQBCIDF-LCYFTJDESA-N	-1	0	433.421	0.383	50	0		ICAARM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000032971858	556590278	/nfs/dbraw/zinc/59/02/78/556590278.db2.gz	DRKNOJKVAIUSLE-UHFFFAOYSA-N	-1	0	432.502	0.361	50	0		ICAARM
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000033048513	556745287	/nfs/dbraw/zinc/74/52/87/556745287.db2.gz	VVWRNXSOCGFHSP-UHFFFAOYSA-N	-1	0	425.488	0.607	50	0		ICAARM
CN(C)S(=O)(=O)Nc1ccc(N2CCN(CC(=O)N3CCCC3)CC2)c(C(=O)[O-])c1	ZINC000033253188	556893560	/nfs/dbraw/zinc/89/35/60/556893560.db2.gz	BOMISCNQGHBWBS-UHFFFAOYSA-N	-1	0	439.538	0.348	50	0		ICAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NCCCOC)CC2)c(C(=O)[O-])c1	ZINC000033253194	556893555	/nfs/dbraw/zinc/89/35/55/556893555.db2.gz	HWROOYDUJABEFQ-UHFFFAOYSA-N	-1	0	442.538	0.421	50	0		ICAARM
COCCCNC(=O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2C(=O)[O-])CC1	ZINC000033253195	556893493	/nfs/dbraw/zinc/89/34/93/556893493.db2.gz	PFAFTJSAVGEDIY-UHFFFAOYSA-N	-1	0	428.511	0.031	50	0		ICAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NCCOC)CC2)c(C(=O)[O-])c1	ZINC000033253197	556893533	/nfs/dbraw/zinc/89/35/33/556893533.db2.gz	ZRHXVNJNVJXNBU-UHFFFAOYSA-N	-1	0	428.511	0.031	50	0		ICAARM
CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)NCCCOC)CC1	ZINC000033253287	556893376	/nfs/dbraw/zinc/89/33/76/556893376.db2.gz	AUDBGTKEHQPTFY-UHFFFAOYSA-N	-1	0	442.538	0.421	50	0		ICAARM
COCCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NS(C)(=O)=O)CC1	ZINC000033253288	556893458	/nfs/dbraw/zinc/89/34/58/556893458.db2.gz	ZWYUIMKKEAKOLO-UHFFFAOYSA-N	-1	0	428.511	0.031	50	0		ICAARM
CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)NCCOC)CC1	ZINC000033253291	556893434	/nfs/dbraw/zinc/89/34/34/556893434.db2.gz	WUHFQFJJFOKCNE-UHFFFAOYSA-N	-1	0	428.511	0.031	50	0		ICAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NCCCOC)CC2)cc1C(=O)[O-]	ZINC000033259908	556898937	/nfs/dbraw/zinc/89/89/37/556898937.db2.gz	GQUWDWRJMSKDOQ-UHFFFAOYSA-N	-1	0	442.538	0.421	50	0		ICAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1C(=O)[O-]	ZINC000033259912	521685190	/nfs/dbraw/zinc/68/51/90/521685190.db2.gz	DPIYLDZFFPGKFP-UHFFFAOYSA-N	-1	0	440.522	0.127	50	0		ICAARM
COCCCNC(=O)CN1CCN(c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)CC1	ZINC000033259936	556899080	/nfs/dbraw/zinc/89/90/80/556899080.db2.gz	DGYZILGNXFXNEC-UHFFFAOYSA-N	-1	0	428.511	0.031	50	0		ICAARM
COCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N(C)C)CC3)cc(C(=O)[O-])c2c1	ZINC000033260729	556897452	/nfs/dbraw/zinc/89/74/52/556897452.db2.gz	LOQSVYXVONLGCL-UHFFFAOYSA-N	-1	0	429.477	0.728	50	0		ICAARM
COCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(C)=O)ccc3n2)CC1	ZINC000033260790	556897681	/nfs/dbraw/zinc/89/76/81/556897681.db2.gz	ITMKAGHTMUTGQL-UHFFFAOYSA-N	-1	0	429.477	0.776	50	0		ICAARM
O=C([O-])CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21	ZINC000034107812	557399370	/nfs/dbraw/zinc/39/93/70/557399370.db2.gz	ARECUNUAAQQJCV-ICFOKQHNSA-N	-1	0	432.417	0.527	50	0		ICAARM
C[C@H](O)[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000035403063	569257597	/nfs/dbraw/zinc/25/75/97/569257597.db2.gz	BCWYNKKHXKDZKQ-USJZOSNVSA-N	-1	0	428.441	0.981	50	0		ICAARM
COc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)n(C)c(=O)n2C	ZINC000035429046	523019279	/nfs/dbraw/zinc/01/92/79/523019279.db2.gz	LCVABNDHHGRAKG-UHFFFAOYSA-N	-1	0	431.474	0.877	50	0		ICAARM
Cc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)CC(=O)N3CCOCC3)o2)s1	ZINC000035597601	526368276	/nfs/dbraw/zinc/36/82/76/526368276.db2.gz	NEKAKXQSIHCFAQ-UHFFFAOYSA-N	-1	0	429.480	0.171	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3ncc(Cl)c3C)[C@H]2SC1	ZINC000035678695	519755396	/nfs/dbraw/zinc/75/53/96/519755396.db2.gz	ICFQQTYZKVRPQK-YYDSMBMDSA-N	-1	0	442.881	0.708	50	0		ICAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3ncc(Cl)c3C)[C@H]2SC1	ZINC000035678697	519755308	/nfs/dbraw/zinc/75/53/08/519755308.db2.gz	ICFQQTYZKVRPQK-JIYNIHLBSA-N	-1	0	442.881	0.708	50	0		ICAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1C(=O)[O-]	ZINC000036354303	569084221	/nfs/dbraw/zinc/08/42/21/569084221.db2.gz	FUJJEZIVTLKADM-FQEVSTJZSA-N	-1	0	444.488	0.479	50	0		ICAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1C(=O)[O-]	ZINC000036354305	569084235	/nfs/dbraw/zinc/08/42/35/569084235.db2.gz	FUJJEZIVTLKADM-HXUWFJFHSA-N	-1	0	444.488	0.479	50	0		ICAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc21	ZINC000036357356	569084540	/nfs/dbraw/zinc/08/45/40/569084540.db2.gz	MFCYOORTVOLNLX-NRFANRHFSA-N	-1	0	444.488	0.328	50	0		ICAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc21	ZINC000036357357	569084569	/nfs/dbraw/zinc/08/45/69/569084569.db2.gz	MFCYOORTVOLNLX-OAQYLSRUSA-N	-1	0	444.488	0.328	50	0		ICAARM
CCNC(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(OC)cc23)CC1	ZINC000036358686	569085253	/nfs/dbraw/zinc/08/52/53/569085253.db2.gz	RLKSYKGQJAEVTK-FQEVSTJZSA-N	-1	0	432.477	0.614	50	0		ICAARM
CCNC(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(OC)cc23)CC1	ZINC000036358687	569085245	/nfs/dbraw/zinc/08/52/45/569085245.db2.gz	RLKSYKGQJAEVTK-HXUWFJFHSA-N	-1	0	432.477	0.614	50	0		ICAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359136	569085528	/nfs/dbraw/zinc/08/55/28/569085528.db2.gz	FVOCTOKOZNADKD-FQEVSTJZSA-N	-1	0	444.488	0.479	50	0		ICAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359137	569085518	/nfs/dbraw/zinc/08/55/18/569085518.db2.gz	FVOCTOKOZNADKD-HXUWFJFHSA-N	-1	0	444.488	0.479	50	0		ICAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1)cn2CC(=O)[O-]	ZINC000036360358	569086302	/nfs/dbraw/zinc/08/63/02/569086302.db2.gz	IKWIQRSGIADUCK-FQEVSTJZSA-N	-1	0	432.477	0.566	50	0		ICAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1)cn2CC(=O)[O-]	ZINC000036360359	569086271	/nfs/dbraw/zinc/08/62/71/569086271.db2.gz	IKWIQRSGIADUCK-HXUWFJFHSA-N	-1	0	432.477	0.566	50	0		ICAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1)cn2CCC(=O)[O-]	ZINC000036360424	569086390	/nfs/dbraw/zinc/08/63/90/569086390.db2.gz	BHKSLWGHABBZCT-NRFANRHFSA-N	-1	0	446.504	0.956	50	0		ICAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1)cn2CCC(=O)[O-]	ZINC000036360425	569086413	/nfs/dbraw/zinc/08/64/13/569086413.db2.gz	BHKSLWGHABBZCT-OAQYLSRUSA-N	-1	0	446.504	0.956	50	0		ICAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(CCOCCO)CC1)cn2CC(=O)[O-]	ZINC000036360854	569086659	/nfs/dbraw/zinc/08/66/59/569086659.db2.gz	AMKXIGYGPUGOPG-FQEVSTJZSA-N	-1	0	435.477	0.487	50	0		ICAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(CCOCCO)CC1)cn2CC(=O)[O-]	ZINC000036360855	569086663	/nfs/dbraw/zinc/08/66/63/569086663.db2.gz	AMKXIGYGPUGOPG-HXUWFJFHSA-N	-1	0	435.477	0.487	50	0		ICAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(CCC(=O)N(C)C)CC1)cn2CC(=O)[O-]	ZINC000036365197	569086817	/nfs/dbraw/zinc/08/68/17/569086817.db2.gz	VDDYGXALVPCQFK-NRFANRHFSA-N	-1	0	446.504	0.956	50	0		ICAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(CCC(=O)N(C)C)CC1)cn2CC(=O)[O-]	ZINC000036365199	569086830	/nfs/dbraw/zinc/08/68/30/569086830.db2.gz	VDDYGXALVPCQFK-OAQYLSRUSA-N	-1	0	446.504	0.956	50	0		ICAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H]4CC(=O)N(C)C4=O)CC3)cc21	ZINC000039792503	569481904	/nfs/dbraw/zinc/48/19/04/569481904.db2.gz	XMUASEWSOKLMOO-QGZVFWFLSA-N	-1	0	430.436	0.738	50	0		ICAARM
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000039960625	556630649	/nfs/dbraw/zinc/63/06/49/556630649.db2.gz	VVWDMRIECHVXDX-UHFFFAOYSA-N	-1	0	427.460	0.938	50	0		ICAARM
O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1	ZINC000040152458	569493403	/nfs/dbraw/zinc/49/34/03/569493403.db2.gz	LIEBVRHBHVBLJI-UHFFFAOYSA-N	-1	0	425.430	0.440	50	0		ICAARM
CNS(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2C)c1	ZINC000041124563	522294140	/nfs/dbraw/zinc/29/41/40/522294140.db2.gz	ZCTPYQWNLWZXKJ-UHFFFAOYSA-N	-1	0	426.476	0.882	50	0		ICAARM
Cn1c2[nH]c(=NN[C@H](O)C=CC(=O)[O-])n(C/C=C/c3ccccc3)c2c(=O)n(C)c1=O	ZINC000057932273	569443145	/nfs/dbraw/zinc/44/31/45/569443145.db2.gz	QFQUUFYBJUFROR-FTUWCGSFSA-N	-1	0	426.433	0.023	50	0		ICAARM
CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1	ZINC000058165880	569449429	/nfs/dbraw/zinc/44/94/29/569449429.db2.gz	QQPVFBYDVPRZSS-UHFFFAOYSA-N	-1	0	448.548	0.345	50	0		ICAARM
NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069701030	569513706	/nfs/dbraw/zinc/51/37/06/569513706.db2.gz	BGVSAEXXXAGIDJ-IRXDYDNUSA-N	-1	0	429.429	0.675	50	0		ICAARM
NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069701033	569513736	/nfs/dbraw/zinc/51/37/36/569513736.db2.gz	BGVSAEXXXAGIDJ-SJORKVTESA-N	-1	0	429.429	0.675	50	0		ICAARM
NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069701035	569513689	/nfs/dbraw/zinc/51/36/89/569513689.db2.gz	BGVSAEXXXAGIDJ-DLBZAZTESA-N	-1	0	429.429	0.675	50	0		ICAARM
NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069701037	569513741	/nfs/dbraw/zinc/51/37/41/569513741.db2.gz	BGVSAEXXXAGIDJ-IAGOWNOFSA-N	-1	0	429.429	0.675	50	0		ICAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc1	ZINC000070816197	569558436	/nfs/dbraw/zinc/55/84/36/569558436.db2.gz	YMAXEOVOQBAFBZ-UHFFFAOYSA-N	-1	0	445.453	0.951	50	0		ICAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CN(S(C)(=O)=O)C3)cc2)nc(C)n1	ZINC000070817496	569558448	/nfs/dbraw/zinc/55/84/48/569558448.db2.gz	WAUIXPZTIUVBPI-UHFFFAOYSA-N	-1	0	439.519	0.724	50	0		ICAARM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000072310861	556576981	/nfs/dbraw/zinc/57/69/81/556576981.db2.gz	OFVFCVCJZWRAKA-CYBMUJFWSA-N	-1	0	428.536	0.826	50	0		ICAARM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000072310862	556577046	/nfs/dbraw/zinc/57/70/46/556577046.db2.gz	OFVFCVCJZWRAKA-ZDUSSCGKSA-N	-1	0	428.536	0.826	50	0		ICAARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(N2CCS(=O)(=O)CC2)c1	ZINC000072312974	557334235	/nfs/dbraw/zinc/33/42/35/557334235.db2.gz	KQPWLQMJFDNUJR-UHFFFAOYSA-N	-1	0	428.492	0.622	50	0		ICAARM
O=C(Cn1nnn(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)c1=O)NC1CC1	ZINC000077100247	569585346	/nfs/dbraw/zinc/58/53/46/569585346.db2.gz	YKYIYTJNMJYIMO-UHFFFAOYSA-N	-1	0	432.437	0.648	50	0		ICAARM
Nc1noc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1	ZINC000078879554	569320018	/nfs/dbraw/zinc/32/00/18/569320018.db2.gz	KIDOZHISIUXJOF-UHFFFAOYSA-N	-1	0	443.445	0.595	50	0		ICAARM
O=C([O-])CCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000083254110	557086087	/nfs/dbraw/zinc/08/60/87/557086087.db2.gz	HRGPPBXEZFBGDJ-MPGHIAIKSA-N	-1	0	447.554	0.353	50	0		ICAARM
CCOC(=O)c1ccc(N2CCCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)CC2)nc1	ZINC000084798572	568801529	/nfs/dbraw/zinc/80/15/29/568801529.db2.gz	TVCQKVPDVFGOKI-UHFFFAOYSA-N	-1	0	438.444	0.948	50	0		ICAARM
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCCCNS(=O)(=O)CC	ZINC000089274477	568909756	/nfs/dbraw/zinc/90/97/56/568909756.db2.gz	IEDPAXBSKFVIFM-UHFFFAOYSA-N	-1	0	443.569	0.065	50	0		ICAARM
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000089534545	568936805	/nfs/dbraw/zinc/93/68/05/568936805.db2.gz	RHTCYOPLMMPTQN-UHFFFAOYSA-N	-1	0	427.439	0.667	50	0		ICAARM
COC(=O)c1cc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)nnn3[O-])ccc1OC	ZINC000095451414	569367916	/nfs/dbraw/zinc/36/79/16/569367916.db2.gz	QIRJACGKDACNLF-UHFFFAOYSA-N	-1	0	449.445	0.059	50	0		ICAARM
COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1	ZINC000095462949	569370326	/nfs/dbraw/zinc/37/03/26/569370326.db2.gz	KIGDLAJGNQYLJV-UHFFFAOYSA-N	-1	0	441.487	0.322	50	0		ICAARM
Cn1c2ncn(Cc3nnc(SCC(=O)[O-])n3-c3ccccc3)c2c(=O)n(C)c1=O	ZINC000095946450	569376067	/nfs/dbraw/zinc/37/60/67/569376067.db2.gz	AWVNBGWLWNWAIM-UHFFFAOYSA-N	-1	0	427.446	0.239	50	0		ICAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cn2)c1	ZINC000095958506	569376994	/nfs/dbraw/zinc/37/69/94/569376994.db2.gz	ZAXVEHZLAVHGHC-UHFFFAOYSA-N	-1	0	443.503	0.921	50	0		ICAARM
O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc2c(c1)CCO2	ZINC000096013499	569380414	/nfs/dbraw/zinc/38/04/14/569380414.db2.gz	XRLHFTYXHFFPCJ-UHFFFAOYSA-N	-1	0	425.488	0.838	50	0		ICAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cn2)c[nH]1	ZINC000096013500	569380381	/nfs/dbraw/zinc/38/03/81/569380381.db2.gz	HVIYSRUIRKAKGP-UHFFFAOYSA-N	-1	0	430.464	0.018	50	0		ICAARM
COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096115948	569383429	/nfs/dbraw/zinc/38/34/29/569383429.db2.gz	AXKLNWBAYNLXEE-CYBMUJFWSA-N	-1	0	427.413	0.968	50	0	biogenic	ICAARM
COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096115949	569383516	/nfs/dbraw/zinc/38/35/16/569383516.db2.gz	AXKLNWBAYNLXEE-ZDUSSCGKSA-N	-1	0	427.413	0.968	50	0	biogenic	ICAARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096222558	569387257	/nfs/dbraw/zinc/38/72/57/569387257.db2.gz	WZZSPLLSUBXEIW-ZDUSSCGKSA-N	-1	0	429.429	0.832	50	0	biogenic	ICAARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096222559	569387128	/nfs/dbraw/zinc/38/71/28/569387128.db2.gz	WZZSPLLSUBXEIW-CYBMUJFWSA-N	-1	0	429.429	0.832	50	0	biogenic	ICAARM
Cn1c2[nH]c(=NN[C@H](O)C=CC(=O)[O-])n(C/C=C\c3ccccc3)c2c(=O)n(C)c1=O	ZINC000096766500	569402381	/nfs/dbraw/zinc/40/23/81/569402381.db2.gz	QFQUUFYBJUFROR-UTBSVICLSA-N	-1	0	426.433	0.023	50	0		ICAARM
Cn1c2[nH]c(=NN[C@H](O)C=CC(=O)[O-])n(C/C=C\c3ccccc3)c2c(=O)n(C)c1=O	ZINC000096766501	569402386	/nfs/dbraw/zinc/40/23/86/569402386.db2.gz	QFQUUFYBJUFROR-IOUFRFASSA-N	-1	0	426.433	0.023	50	0		ICAARM
Cn1c2[nH]c(=NN[C@H](O)C=CC(=O)[O-])n(C/C=C/c3ccccc3)c2c(=O)n(C)c1=O	ZINC000096766502	569402396	/nfs/dbraw/zinc/40/23/96/569402396.db2.gz	QFQUUFYBJUFROR-AAYNOIIKSA-N	-1	0	426.433	0.023	50	0		ICAARM
O=C([O-])c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1	ZINC000097036696	556979478	/nfs/dbraw/zinc/97/94/78/556979478.db2.gz	ZVJDVHSVWTTYEN-UHFFFAOYSA-N	-1	0	433.442	0.698	50	0		ICAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100170977	557346767	/nfs/dbraw/zinc/34/67/67/557346767.db2.gz	JXDAKCXPAFIESZ-ZYHUDNBSSA-N	-1	0	441.181	0.540	50	0		ICAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100170982	557346738	/nfs/dbraw/zinc/34/67/38/557346738.db2.gz	JXDAKCXPAFIESZ-PWSUYJOCSA-N	-1	0	441.181	0.540	50	0		ICAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100170990	557346742	/nfs/dbraw/zinc/34/67/42/557346742.db2.gz	JXDAKCXPAFIESZ-JQWIXIFHSA-N	-1	0	441.181	0.540	50	0		ICAARM
COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000100999927	557212341	/nfs/dbraw/zinc/21/23/41/557212341.db2.gz	HNRJXKSXBFVSLS-WPRPVWTQSA-N	-1	0	428.142	0.675	50	0		ICAARM
O=C(NCCCNC1=C([O-])C(NCCCNC(=O)c2ccccc2)C1=O)c1ccccc1	ZINC000101021162	568843704	/nfs/dbraw/zinc/84/37/04/568843704.db2.gz	ZXWHORBGSQWGLK-UHFFFAOYSA-N	-1	0	436.512	0.695	50	0		ICAARM
Cn1c2cc([N-]S(=O)(=O)c3cccs3)c(N3CCOCC3)cc2n(C)c(=O)c1=O	ZINC000101096410	557254352	/nfs/dbraw/zinc/25/43/52/557254352.db2.gz	RXXBSFSVUDYPFH-UHFFFAOYSA-N	-1	0	436.515	0.936	50	0		ICAARM
O=c1c2ncn([C@@H]3O[C@@H]4CO[P@](=O)([O-])O[C@H]4[C@H]3O)c2nc2[nH]c(-c3ccccc3)cn21	ZINC000101148330	557283637	/nfs/dbraw/zinc/28/36/37/557283637.db2.gz	TVSIKYJKUPRIDV-LSCFUAHRSA-N	-1	0	445.328	0.813	50	0		ICAARM
CCn1c2nc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O	ZINC000101393471	557283175	/nfs/dbraw/zinc/28/31/75/557283175.db2.gz	BQUDLIBXQYBARA-UHFFFAOYSA-N	-1	0	437.478	0.755	50	0		ICAARM
COc1cc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C(C)=O)cc(OC)c1OC	ZINC000101455706	557285861	/nfs/dbraw/zinc/28/58/61/557285861.db2.gz	LJIWOUFVRDERDB-ZDUSSCGKSA-N	-1	0	432.433	0.513	50	0		ICAARM
COc1cc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C(C)=O)cc(OC)c1OC	ZINC000101455708	557285976	/nfs/dbraw/zinc/28/59/76/557285976.db2.gz	LJIWOUFVRDERDB-CYBMUJFWSA-N	-1	0	432.433	0.513	50	0		ICAARM
COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C(C)=O)c(OC)c1OC	ZINC000101456130	557286637	/nfs/dbraw/zinc/28/66/37/557286637.db2.gz	HWBJGIAWOTXLEP-ZDUSSCGKSA-N	-1	0	432.433	0.513	50	0		ICAARM
COc1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C(C)=O)c(OC)c1OC	ZINC000101456133	557286798	/nfs/dbraw/zinc/28/67/98/557286798.db2.gz	HWBJGIAWOTXLEP-CYBMUJFWSA-N	-1	0	432.433	0.513	50	0		ICAARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000101764557	557297866	/nfs/dbraw/zinc/29/78/66/557297866.db2.gz	BVZXWWLULVQRDO-ZDUSSCGKSA-N	-1	0	446.460	0.903	50	0		ICAARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000101764562	557297791	/nfs/dbraw/zinc/29/77/91/557297791.db2.gz	BVZXWWLULVQRDO-CYBMUJFWSA-N	-1	0	446.460	0.903	50	0		ICAARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1ccc(OC)c(OC)c1OC	ZINC000101764568	557297942	/nfs/dbraw/zinc/29/79/42/557297942.db2.gz	CVTOSJYADZVUKS-ZDUSSCGKSA-N	-1	0	446.460	0.903	50	0		ICAARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccc(OC)c(OC)c1OC	ZINC000101764570	557297811	/nfs/dbraw/zinc/29/78/11/557297811.db2.gz	CVTOSJYADZVUKS-CYBMUJFWSA-N	-1	0	446.460	0.903	50	0		ICAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000101766128	557295331	/nfs/dbraw/zinc/29/53/31/557295331.db2.gz	IEDZFCLRFSWDNJ-LBPRGKRZSA-N	-1	0	432.433	0.893	50	0		ICAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C)c2[O-])C[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000101766134	557295453	/nfs/dbraw/zinc/29/54/53/557295453.db2.gz	IEDZFCLRFSWDNJ-GFCCVEGCSA-N	-1	0	432.433	0.893	50	0		ICAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@H]32)cc1	ZINC000102750845	557382868	/nfs/dbraw/zinc/38/28/68/557382868.db2.gz	GVNBVISBJAHKSD-GMXVVIOVSA-N	-1	0	434.451	0.899	50	0		ICAARM
CCOC(=O)c1nnsc1NC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(OC)cc2)c1=O	ZINC000103582858	557439433	/nfs/dbraw/zinc/43/94/33/557439433.db2.gz	KHTDZBFGNKHGMN-SNVBAGLBSA-N	-1	0	433.402	0.561	50	0		ICAARM
CCOC(=O)c1nnsc1NC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(OC)cc2)c1=O	ZINC000103582863	557439566	/nfs/dbraw/zinc/43/95/66/557439566.db2.gz	KHTDZBFGNKHGMN-JTQLQIEISA-N	-1	0	433.402	0.561	50	0		ICAARM
Cc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000170624396	569148042	/nfs/dbraw/zinc/14/80/42/569148042.db2.gz	JWKSDYPOIQUZQP-LBPRGKRZSA-N	-1	0	434.474	0.359	50	0		ICAARM
Cc1ccccc1OC[C@H](O)Cn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000170624397	569148040	/nfs/dbraw/zinc/14/80/40/569148040.db2.gz	JWKSDYPOIQUZQP-GFCCVEGCSA-N	-1	0	434.474	0.359	50	0		ICAARM
CC(C)[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000206322479	556750926	/nfs/dbraw/zinc/75/09/26/556750926.db2.gz	CZOQRVZEXJNJQT-GOSISDBHSA-N	-1	0	443.497	0.664	50	0		ICAARM
O=c1[n-]nnn1-c1ccc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1	ZINC000225616802	557752866	/nfs/dbraw/zinc/75/28/66/557752866.db2.gz	FRFASDAODYSAQL-UHFFFAOYSA-N	-1	0	436.475	0.296	50	0		ICAARM
O=C(CCn1nnc2ccccc2c1=O)[N-]S(=O)(=O)c1ccc(Br)nc1	ZINC000225690333	557764224	/nfs/dbraw/zinc/76/42/24/557764224.db2.gz	JNOJRHPANMYGLI-UHFFFAOYSA-N	-1	0	438.263	0.844	50	0		ICAARM
Cn1c2[nH]c(CCC(=O)[N-]S(=O)(=O)c3c(Cl)ccc(F)c3F)nc2c(=O)[nH]c1=O	ZINC000225858965	557786194	/nfs/dbraw/zinc/78/61/94/557786194.db2.gz	AQVNWJLUGYVJRZ-UHFFFAOYSA-N	-1	0	447.807	0.319	50	0		ICAARM
C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)[O-]	ZINC000230843566	569259076	/nfs/dbraw/zinc/25/90/76/569259076.db2.gz	DFUKLBAGAQSCRQ-JKSUJKDBSA-N	-1	0	444.529	0.137	50	0		ICAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@H]32)cc1	ZINC000245241507	569500779	/nfs/dbraw/zinc/50/07/79/569500779.db2.gz	GVNBVISBJAHKSD-GVXVVHGQSA-N	-1	0	434.451	0.899	50	0		ICAARM
C[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)O)[C@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000248240492	568634357	/nfs/dbraw/zinc/63/43/57/568634357.db2.gz	BCWYNKKHXKDZKQ-DACLVMHWSA-N	-1	0	428.441	0.981	50	0		ICAARM
C[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)O)[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	ZINC000248240493	568634286	/nfs/dbraw/zinc/63/42/86/568634286.db2.gz	BCWYNKKHXKDZKQ-IHETXDGRSA-N	-1	0	428.441	0.981	50	0		ICAARM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000252694305	569210897	/nfs/dbraw/zinc/21/08/97/569210897.db2.gz	IMWXYFOBMBVTQY-SYQHCUMBSA-N	-1	0	442.513	0.267	50	0	biogenic	ICAARM
C[C@@H](O)[C@@H](NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252694334	569210874	/nfs/dbraw/zinc/21/08/74/569210874.db2.gz	JGFMPCUWDPYZNZ-KJWHEZOQSA-N	-1	0	429.514	0.772	50	0	biogenic	ICAARM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000252694335	569210933	/nfs/dbraw/zinc/21/09/33/569210933.db2.gz	JGFMPCUWDPYZNZ-XLWJZTARSA-N	-1	0	429.514	0.772	50	0	biogenic	ICAARM
COC(=O)c1ccc(S(N)(=O)=O)c([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1	ZINC000253415776	569266404	/nfs/dbraw/zinc/26/64/04/569266404.db2.gz	JKUVJNDEBKKUCU-UHFFFAOYSA-N	-1	0	441.487	0.623	50	0		ICAARM
CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)OC)[nH]2)cc1F	ZINC000253429831	569267505	/nfs/dbraw/zinc/26/75/05/569267505.db2.gz	VCJQZXCQRTVGMC-UHFFFAOYSA-N	-1	0	435.459	0.612	50	0		ICAARM
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1	ZINC000253431912	569269172	/nfs/dbraw/zinc/26/91/72/569269172.db2.gz	YHXLMCFUYZUKAP-LLVKDONJSA-N	-1	0	433.412	0.958	50	0		ICAARM
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1	ZINC000253431913	569269183	/nfs/dbraw/zinc/26/91/83/569269183.db2.gz	YHXLMCFUYZUKAP-NSHDSACASA-N	-1	0	433.412	0.958	50	0		ICAARM
O=C([O-])[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000253524965	569283749	/nfs/dbraw/zinc/28/37/49/569283749.db2.gz	MOFOLNOWFPVLGZ-VAVQPMOSSA-N	-1	0	446.364	0.142	50	0	biogenic	ICAARM
Cc1c(C)[n+]([O-])c([C@H](c2ccc(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1-c1nc[nH]n1	ZINC000409415347	556641909	/nfs/dbraw/zinc/64/19/09/556641909.db2.gz	BPNURCSJFZTWED-GFCCVEGCSA-N	-1	0	431.359	0.238	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@@H](c2ccc(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1-c1nc[nH]n1	ZINC000409415348	557110282	/nfs/dbraw/zinc/11/02/82/557110282.db2.gz	BPNURCSJFZTWED-LBPRGKRZSA-N	-1	0	431.359	0.238	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@H](c2cc(F)c(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1-c1nc[nH]n1	ZINC000409415414	557110327	/nfs/dbraw/zinc/11/03/27/557110327.db2.gz	GRLNHDMVYVMPKP-LLVKDONJSA-N	-1	0	449.349	0.377	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cc(F)c(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1-c1nc[nH]n1	ZINC000409415415	556642003	/nfs/dbraw/zinc/64/20/03/556642003.db2.gz	GRLNHDMVYVMPKP-NSHDSACASA-N	-1	0	449.349	0.377	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@H](c2c(F)cccc2Cl)c2c([O-])[nH]c(=O)[nH]c2=O)n1-c1nc[nH]n1	ZINC000409415427	556641968	/nfs/dbraw/zinc/64/19/68/556641968.db2.gz	HOJVAFKIHCGBDW-GFCCVEGCSA-N	-1	0	447.814	0.752	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@@H](c2c(F)cccc2Cl)c2c([O-])[nH]c(=O)[nH]c2=O)n1-c1nc[nH]n1	ZINC000409415428	556641965	/nfs/dbraw/zinc/64/19/65/556641965.db2.gz	HOJVAFKIHCGBDW-LBPRGKRZSA-N	-1	0	447.814	0.752	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@H](c2cccc(OC(F)F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524732883	569126905	/nfs/dbraw/zinc/12/69/05/569126905.db2.gz	WUAPGWACWOIVQF-CYBMUJFWSA-N	-1	0	438.387	0.446	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cccc(OC(F)F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524732884	569126989	/nfs/dbraw/zinc/12/69/89/569126989.db2.gz	WUAPGWACWOIVQF-ZDUSSCGKSA-N	-1	0	438.387	0.446	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@H](c2cc(F)c(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524734224	569127560	/nfs/dbraw/zinc/12/75/60/569127560.db2.gz	KYIJQOCSMFKEIB-GFCCVEGCSA-N	-1	0	426.351	0.262	50	0		ICAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cc(F)c(F)c(F)c2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524734225	569127593	/nfs/dbraw/zinc/12/75/93/569127593.db2.gz	KYIJQOCSMFKEIB-LBPRGKRZSA-N	-1	0	426.351	0.262	50	0		ICAARM
O=C(c1cnc([O-])n(-c2ccccc2)c1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1	ZINC000575610981	568879040	/nfs/dbraw/zinc/87/90/40/568879040.db2.gz	QTHFQRJIKNYHBC-UHFFFAOYSA-N	-1	0	445.443	0.271	50	0		ICAARM
O=C([O-])CCOCCOCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	ZINC001501018247	1070325894	/nfs/dbraw/zinc/32/58/94/1070325894.db2.gz	NKISJPXMSOQWER-AWEZNQCLSA-N	-1	0	433.417	0.008	50	0		ICAARM
O=C([O-])CCOCCOCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	ZINC001501018248	1070326156	/nfs/dbraw/zinc/32/61/56/1070326156.db2.gz	NKISJPXMSOQWER-CQSZACIVSA-N	-1	0	433.417	0.008	50	0		ICAARM