smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)n1	ZINC000001769940	551695744	/nfs/dbraw/zinc/69/57/44/551695744.db2.gz	SYEMQLIMRHFNDB-UHFFFAOYSA-N	-1	0	567.653	2.965	50	30		KFEARM
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1	ZINC000002177516	551783721	/nfs/dbraw/zinc/78/37/21/551783721.db2.gz	KOHMYUCPOUCWOB-GZTJUZNOSA-N	-1	0	537.417	2.549	50	30		KFEARM
COc1ccc(/C=N/N2C(=O)[C@H](CC(=O)[O-])S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	ZINC000002201938	551792908	/nfs/dbraw/zinc/79/29/08/551792908.db2.gz	VOKSDLZQHMXILB-LTAVEDNYSA-N	-1	0	523.571	2.942	50	30		KFEARM
COc1cc(/C=N/N2C(=O)[C@H](CC(=O)[O-])S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O	ZINC000002203867	551793095	/nfs/dbraw/zinc/79/30/95/551793095.db2.gz	DHVJKVYZGUXKPG-SGEXXSOVSA-N	-1	0	509.544	2.639	50	30		KFEARM
C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	ZINC000002709272	552160411	/nfs/dbraw/zinc/16/04/11/552160411.db2.gz	VFMOAFGDZSFZIY-UHFFFAOYSA-N	-1	0	546.660	2.922	50	30		KFEARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)n1	ZINC000002709326	552160735	/nfs/dbraw/zinc/16/07/35/552160735.db2.gz	YUJLVIJJAPJFFW-UHFFFAOYSA-N	-1	0	553.626	2.656	50	30		KFEARM
O=C([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1	ZINC000003770994	552416302	/nfs/dbraw/zinc/41/63/02/552416302.db2.gz	FWDQGHJNJNBSDB-UHFFFAOYSA-N	-1	0	502.368	2.757	50	30		KFEARM
CC(C)(C)NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C2=N[O-]	ZINC000006075190	552526905	/nfs/dbraw/zinc/52/69/05/552526905.db2.gz	LXJJXNGGVBLCFP-UHFFFAOYSA-N	-1	0	555.591	2.864	50	30		KFEARM
COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1[N-]/N=C(\C#N)S(=O)(=O)c1ccccn1	ZINC000006133747	552535408	/nfs/dbraw/zinc/53/54/08/552535408.db2.gz	HUJXBWDVCSAXGT-UDWIEESQSA-N	-1	0	502.621	2.557	50	30		KFEARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)s1	ZINC000006142698	552543983	/nfs/dbraw/zinc/54/39/83/552543983.db2.gz	NQMBAAAXLHZJMQ-UHFFFAOYSA-N	-1	0	573.682	2.972	50	30		KFEARM
CC/C(C)=N\Oc1nc(NC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(N(C)C)n1	ZINC000008397742	552997459	/nfs/dbraw/zinc/99/74/59/552997459.db2.gz	CVGVAFSMQJKFJI-MWYAZZEHSA-N	-1	0	520.450	2.540	50	30		KFEARM
O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)cc2c1-c1c(cc(S(=O)(=O)NCc3ccco3)cc1[N+](=O)[O-])C2=N[O-]	ZINC000008434810	553029070	/nfs/dbraw/zinc/02/90/70/553029070.db2.gz	DHEGMOZLTFMXAN-UHFFFAOYSA-N	-1	0	603.547	2.853	50	30		KFEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(I)cc(I)c2OC)C1=O	ZINC000008438216	553033357	/nfs/dbraw/zinc/03/33/57/553033357.db2.gz	IRDDFRDTAGGAMZ-POHAHGRESA-N	-1	0	538.079	2.552	50	30		KFEARM
COc1ccc(/C=N/N2C(=O)[C@@H](CC(=O)[O-])S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	ZINC000009075377	553207340	/nfs/dbraw/zinc/20/73/40/553207340.db2.gz	VOKSDLZQHMXILB-WOXMPFNHSA-N	-1	0	523.571	2.942	50	30		KFEARM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2C(=O)NCc2ccccc2)c1=O	ZINC000009299711	553235962	/nfs/dbraw/zinc/23/59/62/553235962.db2.gz	DIWGWWHBBSFAHX-SGWCAAJKSA-N	-1	0	501.528	2.783	50	30		KFEARM
COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCC(=O)[O-]	ZINC000009310297	553238904	/nfs/dbraw/zinc/23/89/04/553238904.db2.gz	COHFOIDWAHDELA-FSJBWODESA-N	-1	0	520.388	2.753	50	30		KFEARM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCC(=O)OC	ZINC000009323844	553241494	/nfs/dbraw/zinc/24/14/94/553241494.db2.gz	KAGIAHQQUJWSKS-VCHYOVAHSA-N	-1	0	508.483	2.761	50	30		KFEARM
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000012880173	553425272	/nfs/dbraw/zinc/42/52/72/553425272.db2.gz	HVVPPUPTQIHEMV-CWYHCJQNSA-N	-1	0	517.619	2.731	50	30	biogenic	KFEARM
C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000012880177	553425213	/nfs/dbraw/zinc/42/52/13/553425213.db2.gz	HVVPPUPTQIHEMV-YQUJFFJYSA-N	-1	0	517.619	2.731	50	30	biogenic	KFEARM
C=C(C)COc1ccc2c(C)c(CC(=O)NCCc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)c(=O)oc2c1	ZINC000013609745	553477814	/nfs/dbraw/zinc/47/78/14/553477814.db2.gz	SRIJGBBZAQXGFY-UHFFFAOYSA-N	-1	0	512.584	2.783	50	30		KFEARM
COc1cc(/C=N/N2C(=O)[C@@H](CC(=O)[O-])S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O	ZINC000013658853	553480663	/nfs/dbraw/zinc/48/06/63/553480663.db2.gz	DHVJKVYZGUXKPG-WUMCZRAHSA-N	-1	0	509.544	2.639	50	30		KFEARM
Cc1cc(I)ccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(C(N)=S)c1=O	ZINC000013897095	553495048	/nfs/dbraw/zinc/49/50/48/553495048.db2.gz	LYCXGCNIEONVPU-QNGOZBTKSA-N	-1	0	508.301	2.766	50	30		KFEARM
Cc1c2c(c(C)c(S(=O)(=O)N=C(N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1C)CC(C)(C)O2	ZINC000015721597	553534676	/nfs/dbraw/zinc/53/46/76/553534676.db2.gz	CVFXPOKENLGCID-KRWDZBQOSA-N	-1	0	526.656	2.676	50	30		KFEARM
Cc1c2c(c(C)c(S(=O)(=O)N=C(N)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1C)CC(C)(C)O2	ZINC000015721600	553534716	/nfs/dbraw/zinc/53/47/16/553534716.db2.gz	CVFXPOKENLGCID-QGZVFWFLSA-N	-1	0	526.656	2.676	50	30		KFEARM
COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC([O-])=CSc3nnc(N)s3)c2c1	ZINC000018063619	553602771	/nfs/dbraw/zinc/60/27/71/553602771.db2.gz	OIOBUFILZAMUCQ-UHFFFAOYSA-N	-1	0	511.637	2.936	50	30		KFEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c([O-])c1	ZINC000020309470	553636804	/nfs/dbraw/zinc/63/68/04/553636804.db2.gz	HIXPRDORZFFXSW-XMMPIXPASA-N	-1	0	512.559	2.719	50	30		KFEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c([O-])c1	ZINC000020309472	553636696	/nfs/dbraw/zinc/63/66/96/553636696.db2.gz	HIXPRDORZFFXSW-DEOSSOPVSA-N	-1	0	512.559	2.719	50	30		KFEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c([O-])c1	ZINC000020309480	553636882	/nfs/dbraw/zinc/63/68/82/553636882.db2.gz	AJXWQYYTUUDVGX-XMMPIXPASA-N	-1	0	512.559	2.719	50	30		KFEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c([O-])c1	ZINC000020309483	553636929	/nfs/dbraw/zinc/63/69/29/553636929.db2.gz	AJXWQYYTUUDVGX-DEOSSOPVSA-N	-1	0	512.559	2.719	50	30		KFEARM
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020310353	553637220	/nfs/dbraw/zinc/63/72/20/553637220.db2.gz	OLFQDCNXWQSPKH-NRFANRHFSA-N	-1	0	500.935	2.743	50	30		KFEARM
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020310357	553637209	/nfs/dbraw/zinc/63/72/09/553637209.db2.gz	OLFQDCNXWQSPKH-OAQYLSRUSA-N	-1	0	500.935	2.743	50	30		KFEARM
COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020310388	553637197	/nfs/dbraw/zinc/63/71/97/553637197.db2.gz	GBBGUFGILIYESV-QFIPXVFZSA-N	-1	0	502.951	2.973	50	30		KFEARM
COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020310392	553637273	/nfs/dbraw/zinc/63/72/73/553637273.db2.gz	GBBGUFGILIYESV-JOCHJYFZSA-N	-1	0	502.951	2.973	50	30		KFEARM
CC[C@@H](Sc1nc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)[n-]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000020573032	553674903	/nfs/dbraw/zinc/67/49/03/553674903.db2.gz	SVTFCYVKSRSFSO-LJQANCHMSA-N	-1	0	512.617	2.531	50	30		KFEARM
CC[C@H](Sc1nc(-c2ccc(N(C)C)cc2)c(C#N)c(=O)[n-]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000020573035	553674760	/nfs/dbraw/zinc/67/47/60/553674760.db2.gz	SVTFCYVKSRSFSO-IBGZPJMESA-N	-1	0	512.617	2.531	50	30		KFEARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(CCC#N)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000032985287	553886153	/nfs/dbraw/zinc/88/61/53/553886153.db2.gz	SPTPNMDQNSACHD-UHFFFAOYSA-N	-1	0	507.572	2.972	50	30		KFEARM
O=S(=O)(c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc1-2)N1CCN(c2ccccn2)CC1	ZINC000035982600	554118736	/nfs/dbraw/zinc/11/87/36/554118736.db2.gz	FOUQRGZBSBZYQA-UHFFFAOYSA-N	-1	0	645.767	2.705	50	30		KFEARM
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692072	553609327	/nfs/dbraw/zinc/60/93/27/553609327.db2.gz	ZVHQVQOJWRLBNC-FEUKDRPYSA-N	-1	0	575.699	2.728	50	30	biogenic	KFEARM
CC(C)C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692073	553609353	/nfs/dbraw/zinc/60/93/53/553609353.db2.gz	ZVHQVQOJWRLBNC-RUOMQGBRSA-N	-1	0	575.699	2.728	50	30	biogenic	KFEARM
CC[C@@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692133	553609640	/nfs/dbraw/zinc/60/96/40/553609640.db2.gz	YXDXMCGMVVZDHT-GPZTXMKNSA-N	-1	0	573.683	2.936	50	30	biogenic	KFEARM
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692134	553609618	/nfs/dbraw/zinc/60/96/18/553609618.db2.gz	YXDXMCGMVVZDHT-CQWUICHUSA-N	-1	0	573.683	2.936	50	30	biogenic	KFEARM
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692135	553609644	/nfs/dbraw/zinc/60/96/44/553609644.db2.gz	YXDXMCGMVVZDHT-KMSSYPNNSA-N	-1	0	573.683	2.936	50	30	biogenic	KFEARM
CC[C@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692136	553609649	/nfs/dbraw/zinc/60/96/49/553609649.db2.gz	YXDXMCGMVVZDHT-ASIXRLBOSA-N	-1	0	573.683	2.936	50	30	biogenic	KFEARM
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)COC(=O)CCC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000070692253	553610729	/nfs/dbraw/zinc/61/07/29/553610729.db2.gz	YJMJOHNBMDLHMO-CBFGIIHWSA-N	-1	0	593.673	2.903	50	30	biogenic	KFEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)NCC(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692313	553610864	/nfs/dbraw/zinc/61/08/64/553610864.db2.gz	ZTNURFNXCRKDQE-XOAARHKISA-N	-1	0	545.629	2.914	50	30	biogenic	KFEARM
CC[C@@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692343	553611196	/nfs/dbraw/zinc/61/11/96/553611196.db2.gz	MMWQEYZXQLVYHN-BEIWOERBSA-N	-1	0	575.699	2.728	50	30	biogenic	KFEARM
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692344	553611144	/nfs/dbraw/zinc/61/11/44/553611144.db2.gz	MMWQEYZXQLVYHN-NHGWDTHGSA-N	-1	0	575.699	2.728	50	30	biogenic	KFEARM
CC[C@@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692345	553611194	/nfs/dbraw/zinc/61/11/94/553611194.db2.gz	MMWQEYZXQLVYHN-BNZKSWRBSA-N	-1	0	575.699	2.728	50	30	biogenic	KFEARM
CC[C@H](C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692346	553611161	/nfs/dbraw/zinc/61/11/61/553611161.db2.gz	MMWQEYZXQLVYHN-KXTKLWOGSA-N	-1	0	575.699	2.728	50	30	biogenic	KFEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692378	553611448	/nfs/dbraw/zinc/61/14/48/553611448.db2.gz	DVUSJQMNNVHDRK-RGUQVWHRSA-N	-1	0	559.656	2.546	50	30	biogenic	KFEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692379	553611369	/nfs/dbraw/zinc/61/13/69/553611369.db2.gz	DVUSJQMNNVHDRK-KLWOVIOTSA-N	-1	0	559.656	2.546	50	30	biogenic	KFEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692389	553611391	/nfs/dbraw/zinc/61/13/91/553611391.db2.gz	XACOXEFHYXIAPZ-JHXKAMGPSA-N	-1	0	591.723	2.643	50	30	biogenic	KFEARM
CSCC[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070692390	553611381	/nfs/dbraw/zinc/61/13/81/553611381.db2.gz	XACOXEFHYXIAPZ-IVUFXSTKSA-N	-1	0	591.723	2.643	50	30	biogenic	KFEARM
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)COC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000070692402	553611661	/nfs/dbraw/zinc/61/16/61/553611661.db2.gz	DFQDPPOTXINHQE-LBRUXDOYSA-N	-1	0	599.721	2.896	50	30	biogenic	KFEARM
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070697865	553613374	/nfs/dbraw/zinc/61/33/74/553613374.db2.gz	VALOYVHMTFOAOT-KTQBOELNSA-N	-1	0	573.683	2.936	50	30	biogenic	KFEARM
CC(C)C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000070697870	553613379	/nfs/dbraw/zinc/61/33/79/553613379.db2.gz	VALOYVHMTFOAOT-SSQNNYGNSA-N	-1	0	573.683	2.936	50	30	biogenic	KFEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000070698144	553613912	/nfs/dbraw/zinc/61/39/12/553613912.db2.gz	QSQUMTHHMINFDZ-PHBXKJKFSA-N	-1	0	609.716	2.925	50	30	biogenic	KFEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000070698150	553613938	/nfs/dbraw/zinc/61/39/38/553613938.db2.gz	QSQUMTHHMINFDZ-PFTYFAMESA-N	-1	0	609.716	2.925	50	30	biogenic	KFEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070698323	553614136	/nfs/dbraw/zinc/61/41/36/553614136.db2.gz	ZQLUAONXKBONOF-PWWRXGPDSA-N	-1	0	601.693	2.759	50	30	biogenic	KFEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070698328	553614143	/nfs/dbraw/zinc/61/41/43/553614143.db2.gz	ZQLUAONXKBONOF-ALQBDZRJSA-N	-1	0	601.693	2.759	50	30	biogenic	KFEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070698335	553614176	/nfs/dbraw/zinc/61/41/76/553614176.db2.gz	ZQLUAONXKBONOF-MPTUJBOQSA-N	-1	0	601.693	2.759	50	30	biogenic	KFEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070698340	553614194	/nfs/dbraw/zinc/61/41/94/553614194.db2.gz	ZQLUAONXKBONOF-PRNKXUSNSA-N	-1	0	601.693	2.759	50	30	biogenic	KFEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](O)C(=O)[O-]	ZINC000070698363	553614134	/nfs/dbraw/zinc/61/41/34/553614134.db2.gz	MMZHKHGTQIESKL-JAJOPJLJSA-N	-1	0	575.699	2.730	50	30	biogenic	KFEARM
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](O)C(=O)[O-]	ZINC000070698365	553614126	/nfs/dbraw/zinc/61/41/26/553614126.db2.gz	MMZHKHGTQIESKL-XUISRHSISA-N	-1	0	575.699	2.730	50	30	biogenic	KFEARM
CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(NN=C3C(=O)[N-]C(=S)NC3=O)c2)cc1Br	ZINC000072141287	553644935	/nfs/dbraw/zinc/64/49/35/553644935.db2.gz	YQZRXEPQAYAWMK-UHFFFAOYSA-N	-1	0	560.839	2.601	50	30		KFEARM
CCC1=C(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2c([O-])c(Cl)c(Cl)c(O)c2C1=O	ZINC000079183223	553666403	/nfs/dbraw/zinc/66/64/03/553666403.db2.gz	CZUNPHDKOQTAAB-ZELDCSPKSA-N	-1	0	633.386	2.547	50	30	biogenic	KFEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000079216685	553670889	/nfs/dbraw/zinc/67/08/89/553670889.db2.gz	JYOBYKXWDWDTOD-QFSAKRBOSA-N	-1	0	684.739	2.627	50	30	biogenic	KFEARM
COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000079216687	553670875	/nfs/dbraw/zinc/67/08/75/553670875.db2.gz	JYOBYKXWDWDTOD-ZIPYWAHQSA-N	-1	0	684.739	2.627	50	30	biogenic	KFEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	ZINC000079216839	553671555	/nfs/dbraw/zinc/67/15/55/553671555.db2.gz	HDTGZBPEDNNDJK-ULSOWZHHSA-N	-1	0	682.723	2.835	50	30	biogenic	KFEARM
COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	ZINC000079216841	553671493	/nfs/dbraw/zinc/67/14/93/553671493.db2.gz	HDTGZBPEDNNDJK-POSQULBESA-N	-1	0	682.723	2.835	50	30	biogenic	KFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000097958841	553858388	/nfs/dbraw/zinc/85/83/88/553858388.db2.gz	FBOXMKMPTRSLRH-LVGSUZFTSA-N	-1	0	599.441	2.580	50	30		KFEARM
COc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000097958842	553858369	/nfs/dbraw/zinc/85/83/69/553858369.db2.gz	FBOXMKMPTRSLRH-OLGPUJBVSA-N	-1	0	599.441	2.580	50	30		KFEARM
CCCCCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000097967837	553924182	/nfs/dbraw/zinc/92/41/82/553924182.db2.gz	KYGFGHYQPQFOPA-JXAXNMIRSA-N	-1	0	549.628	2.681	50	30		KFEARM
CCCCCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000097967838	553924002	/nfs/dbraw/zinc/92/40/02/553924002.db2.gz	KYGFGHYQPQFOPA-YEMUAQJGSA-N	-1	0	549.628	2.681	50	30		KFEARM
[O-]c1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCOCC2)n1	ZINC000100037781	554191509	/nfs/dbraw/zinc/19/15/09/554191509.db2.gz	HWEPZPPYNQRRKI-SRZZPIQSSA-N	-1	0	527.221	2.985	50	30		KFEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2cc(I)cc(I)c2OC)C1=O	ZINC000100359920	554341615	/nfs/dbraw/zinc/34/16/15/554341615.db2.gz	IRDDFRDTAGGAMZ-UXBLZVDNSA-N	-1	0	538.079	2.552	50	30		KFEARM
Cc1cc(Br)c(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	ZINC000101240025	554693105	/nfs/dbraw/zinc/69/31/05/554693105.db2.gz	SFXGQULDYWYMND-CAYLLJQQSA-N	-1	0	540.255	2.986	50	30		KFEARM
Cc1cc(Br)c(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	ZINC000101240030	554693164	/nfs/dbraw/zinc/69/31/64/554693164.db2.gz	SFXGQULDYWYMND-XXCOKPDCSA-N	-1	0	540.255	2.986	50	30		KFEARM
Cc1cc(Br)c(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c(Br)c1	ZINC000101240033	554693098	/nfs/dbraw/zinc/69/30/98/554693098.db2.gz	SFXGQULDYWYMND-HTEIRJRZSA-N	-1	0	540.255	2.986	50	30		KFEARM
Cc1cc(Br)c(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c(Br)c1	ZINC000101240036	554693138	/nfs/dbraw/zinc/69/31/38/554693138.db2.gz	SFXGQULDYWYMND-TZRHOOKKSA-N	-1	0	540.255	2.986	50	30		KFEARM
O=C([N-]CCCCCCO)C(F)(F)C(F)(F)O[C@@](F)(C(=O)NCCCCCCO)C(F)(F)F	ZINC000102055257	554872582	/nfs/dbraw/zinc/87/25/82/554872582.db2.gz	NJCXFRNRSUAAJQ-INIZCTEOSA-N	-1	0	504.415	2.797	50	30		KFEARM
O=C([N-]CCCCCCO)C(F)(F)C(F)(F)O[C@](F)(C(=O)NCCCCCCO)C(F)(F)F	ZINC000102055261	554872602	/nfs/dbraw/zinc/87/26/02/554872602.db2.gz	NJCXFRNRSUAAJQ-MRXNPFEDSA-N	-1	0	504.415	2.797	50	30		KFEARM
CCOC(=O)[C@]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)(NS(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000102056072	554872851	/nfs/dbraw/zinc/87/28/51/554872851.db2.gz	YMHLCCDNHPJULT-LBPRGKRZSA-N	-1	0	522.317	2.736	50	30		KFEARM
CCOC(=O)[C@@]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)(NS(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000102056080	554872871	/nfs/dbraw/zinc/87/28/71/554872871.db2.gz	YMHLCCDNHPJULT-GFCCVEGCSA-N	-1	0	522.317	2.736	50	30		KFEARM
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(C[NH+](C)CC(=O)[O-])=C2)cc(C[N@H+](C)CC(=O)[O-])c1O	ZINC000102312457	554909981	/nfs/dbraw/zinc/90/99/81/554909981.db2.gz	FQELMACOLYJXDN-OOAXWGSJSA-N	-1	0	584.647	2.737	50	30		KFEARM
CCCC#C[C@@](C)(O)C[NH2+][C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)[O-]	ZINC000102321961	1059013747	/nfs/dbraw/zinc/01/37/47/1059013747.db2.gz	CTCHSIJLRUXWJU-WMLDXEAASA-N	-1	0	557.166	2.741	50	30		KFEARM
CCCC#C[C@](C)(O)C[NH2+][C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)[O-]	ZINC000102321964	1059013906	/nfs/dbraw/zinc/01/39/06/1059013906.db2.gz	CTCHSIJLRUXWJU-PBHICJAKSA-N	-1	0	557.166	2.741	50	30		KFEARM
CCCC#C[C@@](C)(O)C[NH2+][C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)[O-]	ZINC000102321966	1059014117	/nfs/dbraw/zinc/01/41/17/1059014117.db2.gz	CTCHSIJLRUXWJU-RHSMWYFYSA-N	-1	0	557.166	2.741	50	30		KFEARM
CCCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NCCCC)cc1[N+](=O)[O-])C2=N[O-]	ZINC000102415279	554924538	/nfs/dbraw/zinc/92/45/38/554924538.db2.gz	GDOLQXVUDNBBFP-UHFFFAOYSA-N	-1	0	555.591	2.867	50	30		KFEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102552434	554962597	/nfs/dbraw/zinc/96/25/97/554962597.db2.gz	PTGPYULQEYAFIO-WOOAAIBNSA-N	-1	0	523.405	2.768	50	30		KFEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000102552442	554962437	/nfs/dbraw/zinc/96/24/37/554962437.db2.gz	PTGPYULQEYAFIO-LFVOPCPISA-N	-1	0	523.405	2.768	50	30		KFEARM
N#Cc1ccnc(N2CCN(C(=O)c3cc(I)cc(I)c3[O-])CC2)c1	ZINC000102822842	555077254	/nfs/dbraw/zinc/07/72/54/555077254.db2.gz	GDOAHBUAZLUSGA-UHFFFAOYSA-N	-1	0	560.133	2.830	50	30		KFEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Br)c1	ZINC000102866784	555096123	/nfs/dbraw/zinc/09/61/23/555096123.db2.gz	UORNTBAUOBRXIQ-WOOAAIBNSA-N	-1	0	523.405	2.768	50	30		KFEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Br)c1	ZINC000102866786	555096046	/nfs/dbraw/zinc/09/60/46/555096046.db2.gz	UORNTBAUOBRXIQ-LFVOPCPISA-N	-1	0	523.405	2.768	50	30		KFEARM
C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)nc2cc(C(=O)[O-])ccc2c1=O	ZINC000103117974	555289139	/nfs/dbraw/zinc/28/91/39/555289139.db2.gz	ZSUATOUNSDMWAQ-UHFFFAOYSA-N	-1	0	537.019	2.915	50	30		KFEARM
[O-]c1c(I)cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc1I	ZINC000105978740	571409729	/nfs/dbraw/zinc/40/97/29/571409729.db2.gz	GPSGWQQXKQQUMC-IFRROFPPSA-N	-1	0	569.116	2.813	50	30		KFEARM
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)cc1	ZINC000110360857	571431125	/nfs/dbraw/zinc/43/11/25/571431125.db2.gz	JHUNXXMPLNWFAX-BQKWAYIGSA-N	-1	0	534.590	2.827	50	30		KFEARM
C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)cc1	ZINC000110360864	571431139	/nfs/dbraw/zinc/43/11/39/571431139.db2.gz	JHUNXXMPLNWFAX-GMPUOFRTSA-N	-1	0	534.590	2.827	50	30		KFEARM
CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000118917717	562830845	/nfs/dbraw/zinc/83/08/45/562830845.db2.gz	VJAKAZCKYRUDIB-FEUKDRPYSA-N	-1	0	573.683	2.504	50	30	biogenic	KFEARM
CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000118917720	562830860	/nfs/dbraw/zinc/83/08/60/562830860.db2.gz	GUZLDXZWVDPPFB-NHGWDTHGSA-N	-1	0	573.683	2.504	50	30	biogenic	KFEARM
CCOC(=O)C(=O)C(C)(C)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I	ZINC000135728964	571448901	/nfs/dbraw/zinc/44/89/01/571448901.db2.gz	ATWPBEQWRXYKLT-UHFFFAOYSA-N	-1	0	549.174	2.708	50	30		KFEARM
CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)ON1C(=O)CCC1=O	ZINC000150338770	571457086	/nfs/dbraw/zinc/45/70/86/571457086.db2.gz	OOTFAHIVGAQXOL-LBPRGKRZSA-N	-1	0	630.173	2.644	50	30		KFEARM
COC(=O)C[C@H](c1ccc(O)c(OC)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(O)c(OC)c2)C(=O)C1=O	ZINC000217946628	1059486028	/nfs/dbraw/zinc/48/60/28/1059486028.db2.gz	LJVBQOASSUSUDI-HZPDHXFCSA-N	-1	0	556.520	2.885	50	30		KFEARM
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(O)c(OC)c2)=C([O-])C1=O	ZINC000217946799	1059485946	/nfs/dbraw/zinc/48/59/46/1059485946.db2.gz	LJVBQOASSUSUDI-HOTGVXAUSA-N	-1	0	556.520	2.885	50	30		KFEARM
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COC(=O)COc1ccc([C@@H](CC(=O)OC)C2=C([O-])C(=O)C([C@H](CC(=O)OC)c3ccc(OCC(=O)OC)cc3)C(=O)C2=O)cc1	ZINC000218028045	1059486895	/nfs/dbraw/zinc/48/68/95/1059486895.db2.gz	OIVKUWRPEJTSJP-FGZHOGPDSA-N	-1	0	640.594	2.560	50	30		KFEARM
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CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)NC3CCCCC3)C1=O)O2	ZINC000253406573	572286510	/nfs/dbraw/zinc/28/65/10/572286510.db2.gz	JBRVELUVZGVLQF-ZICGYBOYSA-N	-1	0	511.575	2.790	50	30		KFEARM
COc1ccc(S(=O)(=O)CCNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253409188	572287224	/nfs/dbraw/zinc/28/72/24/572287224.db2.gz	LNMNMFRBSRSSKM-LZNHGYHVSA-N	-1	0	541.578	2.641	50	30		KFEARM
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COc1ccc(OC[C@H](O)CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253411992	572287624	/nfs/dbraw/zinc/28/76/24/572287624.db2.gz	PNGKKAVHZKYGNS-KJZYEQIESA-N	-1	0	523.538	2.607	50	30		KFEARM
COc1ccc(OC[C@@H](O)CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253411993	572287639	/nfs/dbraw/zinc/28/76/39/572287639.db2.gz	PNGKKAVHZKYGNS-QANKNSTDSA-N	-1	0	523.538	2.607	50	30		KFEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)Nc3nc(C)cs3)C1=O)O2	ZINC000253412151	572287847	/nfs/dbraw/zinc/28/78/47/572287847.db2.gz	QALPSDCFRWMVHS-GCTXXEFPSA-N	-1	0	511.556	2.952	50	30		KFEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)NCc3ccc4c(c3)OCO4)C1=O)O2	ZINC000253412218	572287806	/nfs/dbraw/zinc/28/78/06/572287806.db2.gz	QFWJCMGLACNSIF-UDKXPFRISA-N	-1	0	548.548	2.593	50	30		KFEARM
COC(=O)c1ccc(NC(=O)CCNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253412374	572287937	/nfs/dbraw/zinc/28/79/37/572287937.db2.gz	QUNVOMGAMATBQI-YUFDSAJQSA-N	-1	0	548.548	2.974	50	30		KFEARM
COC(=O)c1ccc(NC(=O)CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253412849	572288158	/nfs/dbraw/zinc/28/81/58/572288158.db2.gz	SFYUXZPREZIIKT-JVELKTRGSA-N	-1	0	534.521	2.584	50	30		KFEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCc3nnc4ccccn43)C1=O)O2	ZINC000253413465	572288517	/nfs/dbraw/zinc/28/85/17/572288517.db2.gz	UVUMQVXXVCESLU-LZNHGYHVSA-N	-1	0	502.527	2.834	50	30		KFEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)Nc3ccccc3)C1=O)O2	ZINC000253413835	572288715	/nfs/dbraw/zinc/28/87/15/572288715.db2.gz	VUGOGLQEAHHCMH-ZICGYBOYSA-N	-1	0	505.527	2.980	50	30		KFEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)N3CCc4ccccc4C3)C1=O)O2	ZINC000253414758	572289043	/nfs/dbraw/zinc/28/90/43/572289043.db2.gz	YMUPMGXXRIJHKA-NKVKBKOUSA-N	-1	0	516.550	2.743	50	30		KFEARM
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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)COC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000253487056	572290258	/nfs/dbraw/zinc/29/02/58/572290258.db2.gz	DFQDPPOTXINHQE-WJIHMRRTSA-N	-1	0	599.721	2.896	50	30		KFEARM
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C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)[O-]	ZINC000253501566	572294748	/nfs/dbraw/zinc/29/47/48/572294748.db2.gz	HVVPPUPTQIHEMV-BJEYFPKRSA-N	-1	0	517.619	2.731	50	30		KFEARM
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-]	ZINC000253501567	572294776	/nfs/dbraw/zinc/29/47/76/572294776.db2.gz	HVVPPUPTQIHEMV-DUMSWNGNSA-N	-1	0	517.619	2.731	50	30		KFEARM
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