smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CC[C@@H](O)[C@@H](Cc2cc[nH+]c(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O	ZINC000085625792	291968444	/nfs/dbraw/zinc/96/84/44/291968444.db2.gz	RRMSISNTQHMNKL-LOYHVIPDSA-N	1	2	638.717	6.172	1	10	biogenic,in-vitro	KKCFLO
COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCC(C)C)c3)CCc3c(ccc4cc(O)ccc43)Nc3cc(cc[nH+]3)C23CCCC3)ccc1O	ZINC000085625661	519096380	/nfs/dbraw/zinc/09/63/80/519096380.db2.gz	SOPNRCWKJYYNDF-WZIOMHBQSA-N	1	2	760.928	8.955	1	10	biogenic,in-vitro	KKCFLO
Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1C)[C@@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000026166408	561769326	/nfs/dbraw/zinc/76/93/26/561769326.db2.gz	SXZLYNGXPBMUFE-UHSQPCAPSA-N	1	2	504.074	5.290	1	10		KKCFLO
Cc1cc(C)c(O)c2c1C[C@@H](c1ccccc1C)[C@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000026166394	561769371	/nfs/dbraw/zinc/76/93/71/561769371.db2.gz	SXZLYNGXPBMUFE-LITSAYRRSA-N	1	2	504.074	5.290	1	10		KKCFLO
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027993577	561893436	/nfs/dbraw/zinc/89/34/36/561893436.db2.gz	VMUOFFFWZGGOFF-SVAJZEFYSA-N	1	2	704.659	6.182	1	10		KKCFLO
COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000028568018	561937125	/nfs/dbraw/zinc/93/71/25/561937125.db2.gz	XFNLRLOKXOBAQF-UHFFFAOYSA-N	1	2	609.078	6.393	1	10		KKCFLO
COc1ccc(N2CCN(C(=O)c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1	ZINC000028768856	561960571	/nfs/dbraw/zinc/96/05/71/561960571.db2.gz	CUCILMLQFMJZDA-UHFFFAOYSA-N	1	2	506.528	5.968	1	10		KKCFLO
Cc1cc(C)c(O)c2c1C[C@@H](c1ccc(Cl)cc1)[C@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000084462362	562743103	/nfs/dbraw/zinc/74/31/03/562743103.db2.gz	JCHBJPWKVVPENR-LBNVMWSVSA-N	1	2	524.492	5.635	1	10		KKCFLO
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCC(=O)NC(COc3ccc4ccc5cccnc5c4n3)COc3ccc4ccc5cccnc5c4n3)c2c1	ZINC000095549350	562759884	/nfs/dbraw/zinc/75/98/84/562759884.db2.gz	IGUBIFVXZRAHFS-UHFFFAOYSA-N	1	2	802.335	9.858	1	10		KKCFLO
COc1ccc([C@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1	ZINC000096915643	562800987	/nfs/dbraw/zinc/80/09/87/562800987.db2.gz	DTQCOGRYBRJIJE-SANMLTNESA-N	1	2	514.033	6.583	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1	ZINC000096915651	562801023	/nfs/dbraw/zinc/80/10/23/562801023.db2.gz	VDGQWYHEPOPSGQ-VWLOTQADSA-N	1	2	518.452	7.228	1	10		KKCFLO
COc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCCC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl	ZINC000150604238	562847621	/nfs/dbraw/zinc/84/76/21/562847621.db2.gz	JMZWCHGAXHNNJR-DARPEHSRSA-N	1	2	734.181	6.679	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3F)C2=O)cc1F	ZINC000150605225	562847757	/nfs/dbraw/zinc/84/77/57/562847757.db2.gz	VNUJEGAGDMPEJX-FCDQGJHFSA-N	1	2	661.637	5.897	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)C2(c3cc[nH+]c(N)c3)CCCC2)ccc1O	ZINC000085625776	291968995	/nfs/dbraw/zinc/96/89/95/291968995.db2.gz	NDNAHBYGMJSCSY-XQJOSWFISA-N	1	2	620.787	6.228	1	10	biogenic,in-vitro	KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)C2(c3cc[nH+]c(N)c3)CCCC2)ccc1O	ZINC000085625833	291969000	/nfs/dbraw/zinc/96/90/00/291969000.db2.gz	PKCBBIYYYNYVEL-XQJOSWFISA-N	1	2	618.771	6.124	1	10	biogenic,in-vitro	KKCFLO
COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(I)cc3[nH+]c12	ZINC000026848068	561826924	/nfs/dbraw/zinc/82/69/24/561826924.db2.gz	DSFXBBVQVUTFJL-UHFFFAOYSA-N	1	2	519.364	5.116	1	10		KKCFLO
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC([N@H+](CC[C@@H](C)O)c2ccc(OCc3ccccc3)cc2)CC1	ZINC000027430285	561859217	/nfs/dbraw/zinc/85/92/17/561859217.db2.gz	MTUGVNCYQNDKSG-YDYNHKSESA-N	1	2	592.825	5.834	1	10		KKCFLO
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC([N@@H+](CC[C@@H](C)O)c2ccc(OCc3ccccc3)cc2)CC1	ZINC000027430285	561859218	/nfs/dbraw/zinc/85/92/18/561859218.db2.gz	MTUGVNCYQNDKSG-YDYNHKSESA-N	1	2	592.825	5.834	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)c(Cl)c1	ZINC000096915653	562801028	/nfs/dbraw/zinc/80/10/28/562801028.db2.gz	MBELAKXCNCRMKS-VWLOTQADSA-N	1	2	552.897	7.882	1	10		KKCFLO
O=C(c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1)[N+]1=NC(=S)SC1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000103204135	562816297	/nfs/dbraw/zinc/81/62/97/562816297.db2.gz	DNGPWFJFKAAQCR-UHFFFAOYSA-O	1	2	599.073	6.003	1	10		KKCFLO
Cc1c(-c2cccnc2)[nH+]c2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21	ZINC000118092307	562830124	/nfs/dbraw/zinc/83/01/24/562830124.db2.gz	OECKEBGMVPCBOX-UHFFFAOYSA-N	1	2	510.613	5.781	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1F	ZINC000150604230	562847548	/nfs/dbraw/zinc/84/75/48/562847548.db2.gz	IUZJHWYFTLDGMA-YYADALCUSA-N	1	2	657.674	6.148	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F	ZINC000150604235	562847641	/nfs/dbraw/zinc/84/76/41/562847641.db2.gz	QBYLCYWOLDLWGF-DARPEHSRSA-N	1	2	707.681	7.027	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1F	ZINC000150604967	562847695	/nfs/dbraw/zinc/84/76/95/562847695.db2.gz	LRTHSPZKWWSRPY-SZXQPVLSSA-N	1	2	671.701	6.394	1	10		KKCFLO
COc1cc(CCC(=O)[C@H](Cc2cc[nH+]c(Nc3ccc4cc(O)ccc4c3)c2)[C@H](O)CCc2ccc(O)c3c2CCCO3)cc(O)c1O	ZINC000085625781	565158902	/nfs/dbraw/zinc/15/89/02/565158902.db2.gz	PZAFQPWHNJUUPN-CQTOTRCISA-N	1	2	664.755	6.489	1	10	biogenic,in-vitro	KKCFLO
CC[C@H]1c2cc[nH+]c(c2)Nc2ccc3cc(O)ccc3c2CC[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]1[C@H](O)CCc1ccc(O)c(OC)c1	ZINC000085625711	565159180	/nfs/dbraw/zinc/15/91/80/565159180.db2.gz	KEBKBUCRCHAGNS-SYZOAGHCSA-N	1	2	692.809	7.611	1	10	biogenic,in-vitro	KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3cc[nH+]c(N)c3)CC[C@H](O)[C@H]2Cc2ccc[nH]2)ccc1O	ZINC000085625652	291969002	/nfs/dbraw/zinc/96/90/02/291969002.db2.gz	RELXQIJQZUUDEC-JMSUUCCSSA-N	1	2	686.826	5.001	1	10	biogenic,in-vitro	KKCFLO
Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1C)[C@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000026166399	561769349	/nfs/dbraw/zinc/76/93/49/561769349.db2.gz	SXZLYNGXPBMUFE-GGXMVOPNSA-N	1	2	504.074	5.290	1	10		KKCFLO
CCCCCCC(=O)N(c1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O	ZINC000026847213	561826770	/nfs/dbraw/zinc/82/67/70/561826770.db2.gz	DODQVOSUXHOXGH-UHFFFAOYSA-N	1	2	520.611	6.303	1	10		KKCFLO
CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(S(C)(=O)=O)ccc32)c(OC)c1	ZINC000026940829	561828116	/nfs/dbraw/zinc/82/81/16/561828116.db2.gz	WDNLIJHDVYZCCE-UHFFFAOYSA-N	1	2	541.695	5.866	1	10		KKCFLO
CCc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000027985889	561892278	/nfs/dbraw/zinc/89/22/78/561892278.db2.gz	NALHWDWTFOPHLC-SJHOIFEDSA-N	1	2	676.605	5.300	1	10		KKCFLO
CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027993569	561893414	/nfs/dbraw/zinc/89/34/14/561893414.db2.gz	VMUOFFFWZGGOFF-ZTTQLQLLSA-N	1	2	704.659	6.182	1	10		KKCFLO
CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027993551	561893442	/nfs/dbraw/zinc/89/34/42/561893442.db2.gz	VMUOFFFWZGGOFF-QASPDRGBSA-N	1	2	704.659	6.182	1	10		KKCFLO
CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027999663	561894406	/nfs/dbraw/zinc/89/44/06/561894406.db2.gz	QQHTYTFQFLVPDM-NQVJXQQZSA-N	1	2	690.632	5.792	1	10		KKCFLO
CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000028002656	561894958	/nfs/dbraw/zinc/89/49/58/561894958.db2.gz	XLHYRXMOCWVVCQ-BNHMMOKISA-N	1	2	704.659	5.867	1	10		KKCFLO
O=C(NCCCCCCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2)c1cc(=O)c2cc(O)c(O)cc2o1	ZINC000084618919	562745168	/nfs/dbraw/zinc/74/51/68/562745168.db2.gz	CHOPUPNENHIZKQ-UHFFFAOYSA-N	1	2	626.581	7.901	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1	ZINC000096915650	562800998	/nfs/dbraw/zinc/80/09/98/562800998.db2.gz	VDGQWYHEPOPSGQ-RUZDIDTESA-N	1	2	518.452	7.228	1	10		KKCFLO
COc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl	ZINC000150603820	562847485	/nfs/dbraw/zinc/84/74/85/562847485.db2.gz	SMLPMMUWGCRTAL-BSYVCWPDSA-N	1	2	736.153	5.525	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F	ZINC000150603808	562847508	/nfs/dbraw/zinc/84/75/08/562847508.db2.gz	MNIXGYJFGPTMQH-FCDQGJHFSA-N	1	2	694.091	5.647	1	10		KKCFLO
Cc1nn(-c2ccccc2)c(-n2cc[nH+]c2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1	ZINC000473084209	562896869	/nfs/dbraw/zinc/89/68/69/562896869.db2.gz	QXWJURHFGDANKD-IOOSODASSA-N	1	2	551.657	5.843	1	10		KKCFLO
COc1cc([C@@H]2CCc3c(ccc4cc(O)ccc43)Nc3cc(cc[nH+]3)C[C@@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O	ZINC000085625707	565159152	/nfs/dbraw/zinc/15/91/52/565159152.db2.gz	VPUYLIXDQJRAID-OYIUICCJSA-N	1	2	690.793	6.976	1	10	biogenic,in-vitro	KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@@]2(c3cc[nH+]c(N)c3)CC[C@@H](O)[C@@H]2Cc2ccc[nH]2)ccc1O	ZINC000085625644	291969241	/nfs/dbraw/zinc/96/92/41/291969241.db2.gz	PWMQSAWCDCHQKI-SUSXKRGESA-N	1	2	714.880	5.781	1	10	biogenic,in-vitro	KKCFLO
Cc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000027990412	561892940	/nfs/dbraw/zinc/89/29/40/561892940.db2.gz	NOMVMGRSBAVOBD-CPBHLAHYSA-N	1	2	662.578	5.046	1	10		KKCFLO
O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccc(O)cc3)cc3[nH+]c4ccccc4n3c21	ZINC000028819631	561965608	/nfs/dbraw/zinc/96/56/08/561965608.db2.gz	HPQBLOVWHIIMFO-FMIVXFBMSA-N	1	2	511.537	6.019	1	10		KKCFLO
COC(=O)C(C)(C)c1nc2n(c1C[N@H+](C)Cc1ccccc1O)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F	ZINC000029473774	562026043	/nfs/dbraw/zinc/02/60/43/562026043.db2.gz	PBIDMWZNERIHPU-UHFFFAOYSA-N	1	2	612.702	5.456	1	10		KKCFLO
COC(=O)C(C)(C)c1nc2n(c1C[N@@H+](C)Cc1ccccc1O)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F	ZINC000029473774	562026044	/nfs/dbraw/zinc/02/60/44/562026044.db2.gz	PBIDMWZNERIHPU-UHFFFAOYSA-N	1	2	612.702	5.456	1	10		KKCFLO
Clc1ccc([C@@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C2CCCCC2)cc1	ZINC000096915625	562801017	/nfs/dbraw/zinc/80/10/17/562801017.db2.gz	GFIVSDZCDRMGIG-MUUNZHRXSA-N	1	2	544.490	7.978	1	10		KKCFLO
COc1cc([C@@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC	ZINC000096915647	562801025	/nfs/dbraw/zinc/80/10/25/562801025.db2.gz	OXLYOFBTWFOJIT-HHHXNRCGSA-N	1	2	574.085	6.601	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1F	ZINC000150604243	562847651	/nfs/dbraw/zinc/84/76/51/562847651.db2.gz	ZNTNQMVEAXDENP-HPNDGRJYSA-N	1	2	653.711	6.254	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cccc3C)C2=O)cc1F	ZINC000150605219	562847719	/nfs/dbraw/zinc/84/77/19/562847719.db2.gz	DBSGJIPIKKIBIF-YYADALCUSA-N	1	2	653.711	6.235	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3cc[nH+]c(N)c3)CCCC23CCCC3)ccc1O	ZINC000085625775	291968950	/nfs/dbraw/zinc/96/89/50/291968950.db2.gz	NKJQKBBAYQPBSK-XTDWUVOQSA-N	1	2	604.744	5.592	1	10	biogenic,in-vitro	KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)C2(c3cc[nH+]c(N)c3)CCCC2)ccc1O	ZINC000085625821	291968997	/nfs/dbraw/zinc/96/89/97/291968997.db2.gz	MGDSYRSWWLMEIN-HVIPQOSHSA-N	1	2	592.733	5.448	1	10	biogenic,in-vitro	KKCFLO
CC(C)(C)c1cc(NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)n(-c2ccc(N)cc2)n1	ZINC000013528345	561717394	/nfs/dbraw/zinc/71/73/94/561717394.db2.gz	FNOHHJHSNNPXEW-UHFFFAOYSA-N	1	2	528.657	5.260	1	10		KKCFLO
COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccc(Br)cc3[nH+]c12	ZINC000027726546	561881007	/nfs/dbraw/zinc/88/10/07/561881007.db2.gz	YAGJWUGTDKIUHS-UHFFFAOYSA-N	1	2	515.433	5.340	1	10		KKCFLO
Oc1c(F)cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC000027861217	561887087	/nfs/dbraw/zinc/88/70/87/561887087.db2.gz	XXWKPUNIFIWEFF-UHFFFAOYSA-N	1	2	529.487	5.483	1	10		KKCFLO
COc1ccc([NH+]2CCC(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)(c3cccc(OC)c3)CC2)cc1	ZINC000043990516	562651401	/nfs/dbraw/zinc/65/14/01/562651401.db2.gz	VEWHTKWFEUYDMR-UHFFFAOYSA-N	1	2	544.740	6.893	1	10		KKCFLO
CC(C)(C)[NH2+]Cc1c(O)cc(-c2ccc(C(F)(F)F)cc2)c(C[NH2+]C(C)(C)C)c1Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000044069537	562652084	/nfs/dbraw/zinc/65/20/84/562652084.db2.gz	ZONHTSYFAODNBF-UHFFFAOYSA-N	1	2	585.114	8.799	1	10		KKCFLO
COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1CCCCCCCn1cc(C[NH2+]CCC(=O)Nc2ccc3cc4ccc(NC(C)=O)cc4nc3c2)nn1	ZINC000095547907	562758977	/nfs/dbraw/zinc/75/89/77/562758977.db2.gz	HLUUMWDRUJEHJJ-UHFFFAOYSA-N	1	2	781.962	7.781	1	10		KKCFLO
COc1ccc([C@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C2CCCCC2)cc1OC	ZINC000096915671	562801044	/nfs/dbraw/zinc/80/10/44/562801044.db2.gz	LCDGBVUHGZTLNH-PMERELPUSA-N	1	2	570.097	7.342	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1cccc2ccccc21	ZINC000096915669	562801070	/nfs/dbraw/zinc/80/10/70/562801070.db2.gz	STTPMZPSHQXVCI-LJAQVGFWSA-N	1	2	534.067	7.728	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1F	ZINC000103266093	562822172	/nfs/dbraw/zinc/82/21/72/562822172.db2.gz	UGGPJUBIVKKROO-NJNXFGOHSA-N	1	2	625.657	5.618	1	10		KKCFLO
CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(N)cc2)n1Cc1ccc(C(=O)OC)cc1	ZINC000103272909	562823072	/nfs/dbraw/zinc/82/30/72/562823072.db2.gz	JUQNWJYDLWIJIH-IMRQLAEWSA-N	1	2	543.668	5.248	1	10		KKCFLO
Cc1nn(-c2ccccc2)c(-n2cc[nH+]c2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1	ZINC000473249942	562905186	/nfs/dbraw/zinc/90/51/86/562905186.db2.gz	ZVQKRHUZMNOVLE-VUMGZPTDSA-N	1	2	600.733	6.731	1	10		KKCFLO
COc1ccc(N2CC[NH+]([C@@H]3CN(C(=O)Nc4cc(Cl)cc(Cl)c4)CC[C@H]3OC(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1	ZINC000653845356	562915166	/nfs/dbraw/zinc/91/51/66/562915166.db2.gz	XFFFVEQRHIOEAE-KKLWWLSJSA-N	1	2	675.613	7.448	1	10		KKCFLO
COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(c3cc[nH+]c(N)c3)CCC[C@H]2Cc2ccc[nH]2)cc(O)c1O	ZINC000085625700	565158921	/nfs/dbraw/zinc/15/89/21/565158921.db2.gz	COLFEEKKPNEQMD-LVXNPFPFSA-N	1	2	654.784	5.321	1	10	biogenic,in-vitro	KKCFLO
Cc1cc(C)c(O)c2c1C[C@@H](c1ccccc1C)[C@@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000026166403	561769295	/nfs/dbraw/zinc/76/92/95/561769295.db2.gz	SXZLYNGXPBMUFE-WNJJXGMVSA-N	1	2	504.074	5.290	1	10		KKCFLO
CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)c(OC)c1	ZINC000026844088	561826198	/nfs/dbraw/zinc/82/61/98/561826198.db2.gz	CSVZXKBRHVOTGD-UHFFFAOYSA-N	1	2	508.600	6.370	1	10		KKCFLO
CCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3[nH+]c3c(C)cccc23)c(OC)c1)S(C)(=O)=O	ZINC000026847399	561826832	/nfs/dbraw/zinc/82/68/32/561826832.db2.gz	NGIDONYXZJVNAK-UHFFFAOYSA-N	1	2	508.556	5.059	1	10		KKCFLO
CCCCCC(=O)N(c1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O	ZINC000026935268	561827415	/nfs/dbraw/zinc/82/74/15/561827415.db2.gz	JDPJNXFFGAYLMT-UHFFFAOYSA-N	1	2	506.584	5.913	1	10		KKCFLO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2[nH+]c2c(OC)cccc12	ZINC000026937541	561827678	/nfs/dbraw/zinc/82/76/78/561827678.db2.gz	XCSDVWYDMNGJTB-UHFFFAOYSA-N	1	2	502.390	5.283	1	10		KKCFLO
CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(O)c(O)c2)n1Cc1ccc(C(=O)OC)cc1	ZINC000027204390	561845734	/nfs/dbraw/zinc/84/57/34/561845734.db2.gz	HYCLYWUJVPOOMJ-UQQQWYQISA-N	1	2	560.651	5.077	1	10		KKCFLO
CC[N@@H+](c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1	ZINC000027430293	561859234	/nfs/dbraw/zinc/85/92/34/561859234.db2.gz	FJXVBJKNJLZYRC-HKBQPEDESA-N	1	2	548.772	6.083	1	10		KKCFLO
CC[N@H+](c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1	ZINC000027430293	561859235	/nfs/dbraw/zinc/85/92/35/561859235.db2.gz	FJXVBJKNJLZYRC-HKBQPEDESA-N	1	2	548.772	6.083	1	10		KKCFLO
Cc1nn(C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000027985860	561892186	/nfs/dbraw/zinc/89/21/86/561892186.db2.gz	KTVKQRSDDRMDQU-HKFHRXRESA-N	1	2	676.605	5.057	1	10		KKCFLO
Cc1nn(C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000027985850	561892240	/nfs/dbraw/zinc/89/22/40/561892240.db2.gz	KTVKQRSDDRMDQU-KAODMTDESA-N	1	2	676.605	5.057	1	10		KKCFLO
CCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027994704	561893617	/nfs/dbraw/zinc/89/36/17/561893617.db2.gz	AOAKKNSKEKISTJ-NQVJXQQZSA-N	1	2	690.632	5.540	1	10		KKCFLO
Cc1nn(C(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000028001297	561894814	/nfs/dbraw/zinc/89/48/14/561894814.db2.gz	CSYHOJIMPTWHOW-KUFVUHJUSA-N	1	2	704.659	6.101	1	10		KKCFLO
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNc2cccc[nH+]2)Nc2ccccc2C(=O)c2ccccc2)cc1	ZINC000028704577	561948807	/nfs/dbraw/zinc/94/88/07/561948807.db2.gz	CZEUGVSJKYVCFU-YTTGMZPUSA-N	1	2	608.742	8.033	1	10		KKCFLO
COc1cc(C[C@H]2c3cc(O)c(O)cc3CC[N@H+]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000029316072	562012436	/nfs/dbraw/zinc/01/24/36/562012436.db2.gz	NNDDTWYUXODCOR-NRFANRHFSA-N	1	2	504.410	5.773	1	10		KKCFLO
COc1cc(C[C@H]2c3cc(O)c(O)cc3CC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000029316072	562012437	/nfs/dbraw/zinc/01/24/37/562012437.db2.gz	NNDDTWYUXODCOR-NRFANRHFSA-N	1	2	504.410	5.773	1	10		KKCFLO
CCCCc1[nH+]cc(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000049710207	562671578	/nfs/dbraw/zinc/67/15/78/562671578.db2.gz	PYNRTEKOEHJSAD-UHFFFAOYSA-N	1	2	552.635	5.208	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(F)cc1	ZINC000096901583	562797152	/nfs/dbraw/zinc/79/71/52/562797152.db2.gz	WKEQVKCATKZQJL-RUZDIDTESA-N	1	2	501.997	6.714	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Br)cc1	ZINC000096915654	562800996	/nfs/dbraw/zinc/80/09/96/562800996.db2.gz	CGQHZLFKXBSFLE-RUZDIDTESA-N	1	2	562.903	7.337	1	10		KKCFLO
COc1ccc([C@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1OC	ZINC000096915645	562801010	/nfs/dbraw/zinc/80/10/10/562801010.db2.gz	XJFDXIVUPFOLIW-MHZLTWQESA-N	1	2	544.059	6.592	1	10		KKCFLO
COc1ccc([C@@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1OC	ZINC000096915644	562801020	/nfs/dbraw/zinc/80/10/20/562801020.db2.gz	XJFDXIVUPFOLIW-HHHXNRCGSA-N	1	2	544.059	6.592	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cccc3C)C2=O)cc1F	ZINC000150603795	562847512	/nfs/dbraw/zinc/84/75/12/562847512.db2.gz	DTHZTZLQTJVRSH-YYADALCUSA-N	1	2	669.710	5.472	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cccc3C)C2=O)cc1F	ZINC000150605234	562847749	/nfs/dbraw/zinc/84/77/49/562847749.db2.gz	QKLVIKMIZOEFFF-HPNDGRJYSA-N	1	2	667.738	6.625	1	10		KKCFLO
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C[NH2+]CC5CCOCC5)c(c(O)c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000473119275	562899302	/nfs/dbraw/zinc/89/93/02/562899302.db2.gz	AKDQEXCEINVNBV-DFVROAMOSA-N	1	2	824.965	5.270	1	10		KKCFLO
Cc1nn(-c2ccccc2)c(-n2cc[nH+]c2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1	ZINC000473249941	562905193	/nfs/dbraw/zinc/90/51/93/562905193.db2.gz	ZVQKRHUZMNOVLE-GPMZVODXSA-N	1	2	600.733	6.731	1	10		KKCFLO
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4cc([N+](=O)[O-])ccc43)cc2)cc1	ZINC000026845049	561826401	/nfs/dbraw/zinc/82/64/01/561826401.db2.gz	QHRKVZBTLUKNEP-UHFFFAOYSA-N	1	2	527.562	5.200	1	10		KKCFLO
NC(=[NH2+])Nc1cccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc43)cc2)c1	ZINC000026846590	561826630	/nfs/dbraw/zinc/82/66/30/561826630.db2.gz	IEZARPDGJUMXIH-UHFFFAOYSA-N	1	2	527.566	5.146	1	10		KKCFLO
CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027999054	561894437	/nfs/dbraw/zinc/89/44/37/561894437.db2.gz	DLECPBFJNXSKOV-BNHMMOKISA-N	1	2	704.659	5.930	1	10		KKCFLO
CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027999657	561894454	/nfs/dbraw/zinc/89/44/54/561894454.db2.gz	QQHTYTFQFLVPDM-CYEXUTLASA-N	1	2	690.632	5.792	1	10		KKCFLO
CC(C)=CCn1c2ccccc2c2c1ccc(C[NH+](Cc1ccccn1)Cc1ccc3c(c4ccccc4n3CC=C(C)C)c1O)c2O	ZINC000049807908	562686564	/nfs/dbraw/zinc/68/65/64/562686564.db2.gz	OLLKICISKJZNHT-UHFFFAOYSA-N	1	2	634.824	9.843	1	10		KKCFLO
Cc1cc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)ccc(Cl)c34)cc2)no1	ZINC000073258357	562737098	/nfs/dbraw/zinc/73/70/98/562737098.db2.gz	GZGVCWYDKIBYBG-UHFFFAOYSA-N	1	2	579.082	5.174	1	10		KKCFLO
Cc1cc(C)c(O)c2c1C[C@H](c1ccc(Cl)cc1)[C@@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000084462359	562743098	/nfs/dbraw/zinc/74/30/98/562743098.db2.gz	JCHBJPWKVVPENR-NAKRPHOHSA-N	1	2	524.492	5.635	1	10		KKCFLO
O=C(NCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)c1cc(=O)c2cc(O)c(O)cc2o1	ZINC000084619167	562745196	/nfs/dbraw/zinc/74/51/96/562745196.db2.gz	YMRPMJKWTYJBPC-UHFFFAOYSA-N	1	2	557.691	6.594	1	10		KKCFLO
COc1ccc([C@@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1	ZINC000096915642	562801003	/nfs/dbraw/zinc/80/10/03/562801003.db2.gz	DTQCOGRYBRJIJE-AREMUKBSSA-N	1	2	514.033	6.583	1	10		KKCFLO
O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1)[N+]1=NC(=S)SC1c1cccc([N+](=O)[O-])c1	ZINC000103201704	562816113	/nfs/dbraw/zinc/81/61/13/562816113.db2.gz	QXQCQUVVBPDJDH-UHFFFAOYSA-O	1	2	563.644	6.337	1	10		KKCFLO
COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cccc3C)C2=O)cc1F	ZINC000150604205	562847575	/nfs/dbraw/zinc/84/75/75/562847575.db2.gz	CPRTYRWYPSLKDC-HPNDGRJYSA-N	1	2	682.753	5.387	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1F	ZINC000150604247	562847625	/nfs/dbraw/zinc/84/76/25/562847625.db2.gz	STKSFFDICKIQPP-XAYXJRQQSA-N	1	2	667.738	6.563	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3F)C2=O)cc1F	ZINC000150604970	562847707	/nfs/dbraw/zinc/84/77/07/562847707.db2.gz	BWGQAKOWFVFEGA-LKUDQCMESA-N	1	2	689.691	6.533	1	10		KKCFLO
CCC[NH+](CCC)Cc1c(O)c(OC)cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)cc5ccn4c3c(=O)oc21	ZINC000299825970	562883739	/nfs/dbraw/zinc/88/37/39/562883739.db2.gz	MKSFVBCOVNMYNQ-UHFFFAOYSA-N	1	2	612.679	6.784	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3cc[nH+]c(N)c3)CCC[C@H]2Cc2ccccc2)ccc1O	ZINC000085625844	565159526	/nfs/dbraw/zinc/15/95/26/565159526.db2.gz	ATDASOQYYZNTOU-IKJFUMAYSA-N	1	2	640.777	5.890	1	10	biogenic,in-vitro	KKCFLO
CCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000028002678	561894948	/nfs/dbraw/zinc/89/49/48/561894948.db2.gz	OJXSWIXEHUHCSQ-KUFVUHJUSA-N	1	2	704.659	6.011	1	10		KKCFLO
CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000028005744	561895493	/nfs/dbraw/zinc/89/54/93/561895493.db2.gz	ZNIDTDMXFOEMHX-HKFHRXRESA-N	1	2	676.605	5.231	1	10		KKCFLO
O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1O)Nc1ccc(C(F)(F)F)cc1	ZINC000028385820	561921030	/nfs/dbraw/zinc/92/10/30/561921030.db2.gz	HTEJLXVJGHAIIN-UHFFFAOYSA-N	1	2	525.163	5.237	1	10		KKCFLO
COc1ccc([C@@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C2CCCCC2)cc1OC	ZINC000096915674	562801076	/nfs/dbraw/zinc/80/10/76/562801076.db2.gz	LCDGBVUHGZTLNH-SSEXGKCCSA-N	1	2	570.097	7.342	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1F	ZINC000150603788	562847460	/nfs/dbraw/zinc/84/74/60/562847460.db2.gz	BZKQEYSSBLBNPN-YYADALCUSA-N	1	2	655.683	5.163	1	10		KKCFLO
COc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCCC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl	ZINC000150603786	562847468	/nfs/dbraw/zinc/84/74/68/562847468.db2.gz	CYVPZDFIJGYWLQ-BSYVCWPDSA-N	1	2	720.154	6.289	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3F)C2=O)cc1F	ZINC000150603804	562847518	/nfs/dbraw/zinc/84/75/18/562847518.db2.gz	KUAVBUOQGKLJMS-FCDQGJHFSA-N	1	2	677.636	5.133	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F	ZINC000150604233	562847551	/nfs/dbraw/zinc/84/75/51/562847551.db2.gz	OXQHEWOTAZXICR-HIXSDJFHSA-N	1	2	692.119	6.801	1	10		KKCFLO
COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F	ZINC000150604218	562847603	/nfs/dbraw/zinc/84/76/03/562847603.db2.gz	QYRPPRMBXWRGIN-HIXSDJFHSA-N	1	2	707.134	5.562	1	10		KKCFLO
CCOP(=O)(OCC)[C@H]([NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)c1ccc([N+](=O)[O-])cc1O	ZINC000299836667	562887301	/nfs/dbraw/zinc/88/73/01/562887301.db2.gz	OIIZBHWROJHQBB-XHPANXIASA-N	1	2	572.683	7.989	1	10		KKCFLO
COc1c(O)cc2oc3c(C[NH+]4CCCCC4)c(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	ZINC000299872077	562895820	/nfs/dbraw/zinc/89/58/20/562895820.db2.gz	ZWAHRCNLTYQJIK-UHFFFAOYSA-N	1	2	507.627	6.075	1	10		KKCFLO
Cc1nn(-c2ccccc2)c(-n2cc[nH+]c2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1	ZINC000473091488	562897703	/nfs/dbraw/zinc/89/77/03/562897703.db2.gz	YVTYNDNIEXZRKN-IOOSODASSA-N	1	2	567.725	6.311	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3cc[nH+]c(N)c3)CCC[C@@H]2Cc2ccc[nH]2)ccc1O	ZINC000085625704	291969005	/nfs/dbraw/zinc/96/90/05/291969005.db2.gz	WKAARXNQJZTMGB-ZIIRDRSTSA-N	1	2	670.827	6.030	1	10	biogenic,in-vitro	KKCFLO
CC=c1c(C)c2cc3nc(c4cc(=S)c5c(C)c(cc6[nH]c(cc1[nH+]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C	ZINC000027554182	561868959	/nfs/dbraw/zinc/86/89/59/561868959.db2.gz	ZYPUQOURRJBDMX-AVRDEDQJSA-N	1	2	564.755	7.838	1	10		KKCFLO
CCCn1nc(CC)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027988780	561892719	/nfs/dbraw/zinc/89/27/19/561892719.db2.gz	SYNAZIGLVVDRMQ-WECIHKQLSA-N	1	2	718.686	6.184	1	10		KKCFLO
COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCC[NH+]4CCOCC4)n3)CC2(C)C)cc1	ZINC000049746061	562674198	/nfs/dbraw/zinc/67/41/98/562674198.db2.gz	PESVSVDAYZWLNJ-UHFFFAOYSA-N	1	2	588.797	5.651	1	10		KKCFLO
O=[N+]([O-])c1ccc2c(c1)nc1ccccc1c2Nc1ccccc1-c1ccccc1Nc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc21	ZINC000082182108	562742110	/nfs/dbraw/zinc/74/21/10/562742110.db2.gz	ISSSEOSGVUQSEM-UHFFFAOYSA-N	1	2	628.648	10.060	1	10		KKCFLO
Clc1ccc2c(Nc3ccc(N[C@@H](c4nnnn4C4CCCCC4)c4ccc(Br)cc4)cc3)cc[nH+]c2c1	ZINC000096915629	562801015	/nfs/dbraw/zinc/80/10/15/562801015.db2.gz	OLWZNJGIFNYROK-MUUNZHRXSA-N	1	2	588.941	8.088	1	10		KKCFLO
Clc1ccc2c(Nc3ccc(N[C@H](c4nnnn4C4CCCCC4)c4ccc(Br)cc4)cc3)cc[nH+]c2c1	ZINC000096915627	562801032	/nfs/dbraw/zinc/80/10/32/562801032.db2.gz	OLWZNJGIFNYROK-NDEPHWFRSA-N	1	2	588.941	8.088	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Br)cc1	ZINC000096915655	562801042	/nfs/dbraw/zinc/80/10/42/562801042.db2.gz	CGQHZLFKXBSFLE-VWLOTQADSA-N	1	2	562.903	7.337	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F	ZINC000150603779	562847478	/nfs/dbraw/zinc/84/74/78/562847478.db2.gz	BKKCLSKIDFDDGH-FCDQGJHFSA-N	1	2	678.092	6.411	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F	ZINC000150604974	562847693	/nfs/dbraw/zinc/84/76/93/562847693.db2.gz	AXZVQMNKHFMOIM-NJNXFGOHSA-N	1	2	721.708	7.273	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1F	ZINC000150605237	562847752	/nfs/dbraw/zinc/84/77/52/562847752.db2.gz	ZXTQQNYRMCOIST-XTCLZLMSSA-N	1	2	639.684	6.008	1	10		KKCFLO
CCCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3[nH+]c3c(C)cccc23)c(OC)c1)S(C)(=O)=O	ZINC000026838585	561825067	/nfs/dbraw/zinc/82/50/67/561825067.db2.gz	KHLUUPZKKJDSOT-UHFFFAOYSA-N	1	2	522.583	5.450	1	10		KKCFLO
Cc1nc(-c2c3ccccc3nc3ccccc32)sc1CCOC(=O)c1ccc(NN=Nc2ccc(C(=O)OCC[NH+]3CCOCC3)cc2)cc1	ZINC000027103932	561839603	/nfs/dbraw/zinc/83/96/03/561839603.db2.gz	RREBREOGXQVBFW-UHFFFAOYSA-N	1	2	700.821	7.819	1	10		KKCFLO
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027993560	561893438	/nfs/dbraw/zinc/89/34/38/561893438.db2.gz	VMUOFFFWZGGOFF-IQGXZWDMSA-N	1	2	704.659	6.182	1	10		KKCFLO
O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccc(-c4ccccc4)cc3)cc3[nH+]c4ccccc4n3c21	ZINC000028819591	561965575	/nfs/dbraw/zinc/96/55/75/561965575.db2.gz	XCVOBDZXSDXTNL-KNTRCKAVSA-N	1	2	571.636	7.980	1	10		KKCFLO
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CC[NH+](CCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)CC1	ZINC000049771151	562678009	/nfs/dbraw/zinc/67/80/09/562678009.db2.gz	CTELIDXCYYUVJZ-UHFFFAOYSA-N	1	2	660.774	5.837	1	10		KKCFLO
Cc1cn(-c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4cccn4C)c3)cc(C(F)(F)F)c2)c[nH+]1	ZINC000084705504	562749889	/nfs/dbraw/zinc/74/98/89/562749889.db2.gz	AYOQLZRIQOKDAI-NTFVMDSBSA-N	1	2	582.586	7.027	1	10		KKCFLO
O=C(c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1)[N+]1=NC(=S)SC1c1cccc([N+](=O)[O-])c1	ZINC000103203057	562816191	/nfs/dbraw/zinc/81/61/91/562816191.db2.gz	SWNPGKPRIOLUFR-UHFFFAOYSA-O	1	2	564.628	5.349	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1F	ZINC000150605229	562847742	/nfs/dbraw/zinc/84/77/42/562847742.db2.gz	RSJQQGAPVMIJRS-HPNDGRJYSA-N	1	2	653.711	6.317	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1F	ZINC000150605222	562847755	/nfs/dbraw/zinc/84/77/55/562847755.db2.gz	HBWDOFMWXFSQKQ-LKUDQCMESA-N	1	2	643.647	5.757	1	10		KKCFLO
COc1cc(-c2c3c(c(=O)oc4c3cc(OC)c(O)c4C[NH+]3CCCCC3)n3ccc4cc(O)c(OC)cc4c23)ccc1O	ZINC000299828990	562884660	/nfs/dbraw/zinc/88/46/60/562884660.db2.gz	YOUOEPOIFKGZOT-UHFFFAOYSA-N	1	2	596.636	6.148	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@H]2Cc3cc[nH+]c(c3)Nc3ccc4cc(O)cc5c4c3[C@H](CC5)C[C@@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O	ZINC000085625722	565159216	/nfs/dbraw/zinc/15/92/16/565159216.db2.gz	UXSNDFYDLRJKTA-ADYQGLIKSA-N	1	2	690.793	7.147	1	10	biogenic,in-vitro	KKCFLO
CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3cc[nH+]c(N)c3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O	ZINC000085627523	291933867	/nfs/dbraw/zinc/93/38/67/291933867.db2.gz	WBCUMSCEEYXKQM-BTIIJPOSSA-N	1	2	595.781	5.478	1	10	biogenic,in-vitro	KKCFLO
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000026171910	561770040	/nfs/dbraw/zinc/77/00/40/561770040.db2.gz	VMUOFFFWZGGOFF-GLKJKGQSSA-N	1	2	704.659	6.182	1	10		KKCFLO
CCc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000027985879	561892254	/nfs/dbraw/zinc/89/22/54/561892254.db2.gz	NALHWDWTFOPHLC-ANHUGMMASA-N	1	2	676.605	5.300	1	10		KKCFLO
CCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027999061	561894421	/nfs/dbraw/zinc/89/44/21/561894421.db2.gz	DLECPBFJNXSKOV-KUFVUHJUSA-N	1	2	704.659	5.930	1	10		KKCFLO
CCCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027999358	561894450	/nfs/dbraw/zinc/89/44/50/561894450.db2.gz	MLQXIYHWKWYJJQ-PZSMLTKBSA-N	1	2	718.686	6.320	1	10		KKCFLO
Cc1nn(C(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000028001290	561894800	/nfs/dbraw/zinc/89/48/00/561894800.db2.gz	CSYHOJIMPTWHOW-BNHMMOKISA-N	1	2	704.659	6.101	1	10		KKCFLO
CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000028005739	561895488	/nfs/dbraw/zinc/89/54/88/561895488.db2.gz	ZNIDTDMXFOEMHX-KAODMTDESA-N	1	2	676.605	5.231	1	10		KKCFLO
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N[NH+]=c3c4ccccc4[nH]c4c(C(=O)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)cccc43)cc2)n1	ZINC000095551996	562760566	/nfs/dbraw/zinc/76/05/66/562760566.db2.gz	VIWHMVITZOPMDO-UHFFFAOYSA-N	1	2	746.835	5.878	1	10		KKCFLO
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4[nH+]c4c(C(=O)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)cccc34)cc2)n1	ZINC000095551996	562760567	/nfs/dbraw/zinc/76/05/67/562760567.db2.gz	VIWHMVITZOPMDO-UHFFFAOYSA-N	1	2	746.835	5.878	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F	ZINC000150603813	562847499	/nfs/dbraw/zinc/84/74/99/562847499.db2.gz	BLAVWSJTVZCXCK-BSYVCWPDSA-N	1	2	709.653	5.874	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3F)C2=O)cc1F	ZINC000150604231	562847588	/nfs/dbraw/zinc/84/75/88/562847588.db2.gz	SLOFKKVBBGHLSM-HIXSDJFHSA-N	1	2	675.664	6.287	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@@H](Cc2cc[nH+]c(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)ccc1O	ZINC000085625796	291968438	/nfs/dbraw/zinc/96/84/38/291968438.db2.gz	OQYORUTUQHFRHL-VSJLXWSYSA-N	1	2	706.836	7.875	1	10	biogenic,in-vitro	KKCFLO
CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000026171903	561770004	/nfs/dbraw/zinc/77/00/04/561770004.db2.gz	VMUOFFFWZGGOFF-NEKMOQCDSA-N	1	2	704.659	6.182	1	10		KKCFLO
CC(C)CC[N@@H+](c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1	ZINC000026490904	561793246	/nfs/dbraw/zinc/79/32/46/561793246.db2.gz	ITZRDZMORJKADG-UMSFTDKQSA-N	1	2	590.853	7.109	1	10		KKCFLO
CC(C)CC[N@H+](c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1	ZINC000026490904	561793248	/nfs/dbraw/zinc/79/32/48/561793248.db2.gz	ITZRDZMORJKADG-UMSFTDKQSA-N	1	2	590.853	7.109	1	10		KKCFLO
Oc1c(F)c(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC000027870894	561888221	/nfs/dbraw/zinc/88/82/21/561888221.db2.gz	GCADYHSUUMATAM-UHFFFAOYSA-N	1	2	547.477	5.622	1	10		KKCFLO
CCCCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027999363	561894433	/nfs/dbraw/zinc/89/44/33/561894433.db2.gz	MLQXIYHWKWYJJQ-GOJCVTOHSA-N	1	2	718.686	6.320	1	10		KKCFLO
COc1cc(C[C@@H]2c3cc(O)c(O)cc3CC[N@H+]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000029316076	562012478	/nfs/dbraw/zinc/01/24/78/562012478.db2.gz	NNDDTWYUXODCOR-OAQYLSRUSA-N	1	2	504.410	5.773	1	10		KKCFLO
COc1cc(C[C@@H]2c3cc(O)c(O)cc3CC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC	ZINC000029316076	562012480	/nfs/dbraw/zinc/01/24/80/562012480.db2.gz	NNDDTWYUXODCOR-OAQYLSRUSA-N	1	2	504.410	5.773	1	10		KKCFLO
Cc1cc(=NCC[NH+]=c2cc(C)c3ccc(O)c(N=Nc4cccnc4)c3o2)oc2c1ccc(O)c2N=Nc1cccnc1	ZINC000098083963	562805558	/nfs/dbraw/zinc/80/55/58/562805558.db2.gz	UMJQKNILQOFJDX-HKTOSYHJSA-N	1	2	586.612	7.329	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F	ZINC000150603783	562847457	/nfs/dbraw/zinc/84/74/57/562847457.db2.gz	CISLJEAEHRURFH-BSYVCWPDSA-N	1	2	693.654	6.637	1	10		KKCFLO
CC[NH+](CC)Cc1c(O)c(OC)cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)cc5ccn4c3c(=O)oc21	ZINC000299827060	562884045	/nfs/dbraw/zinc/88/40/45/562884045.db2.gz	OKGUEDSDNOZFIS-UHFFFAOYSA-N	1	2	584.625	6.004	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@@H]2Cc3cc[nH+]c(c3)Nc3ccc4cc(O)ccc4c3CC[C@@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O	ZINC000085625724	565159186	/nfs/dbraw/zinc/15/91/86/565159186.db2.gz	OKVWYAXLFZICNP-GSOZQLGUSA-N	1	2	664.755	6.660	1	10	biogenic,in-vitro	KKCFLO
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC([N@H+](CC[C@H](C)O)c2ccc(OCc3ccccc3)cc2)CC1	ZINC000027430288	561859257	/nfs/dbraw/zinc/85/92/57/561859257.db2.gz	MTUGVNCYQNDKSG-UVMMSNCQSA-N	1	2	592.825	5.834	1	10		KKCFLO
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N1CCC([N@@H+](CC[C@H](C)O)c2ccc(OCc3ccccc3)cc2)CC1	ZINC000027430288	561859258	/nfs/dbraw/zinc/85/92/58/561859258.db2.gz	MTUGVNCYQNDKSG-UVMMSNCQSA-N	1	2	592.825	5.834	1	10		KKCFLO
Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000028000334	561894496	/nfs/dbraw/zinc/89/44/96/561894496.db2.gz	JSPLWJPGZZKDHK-GOJCVTOHSA-N	1	2	718.686	6.176	1	10		KKCFLO
CCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000028002671	561894951	/nfs/dbraw/zinc/89/49/51/561894951.db2.gz	OJXSWIXEHUHCSQ-BNHMMOKISA-N	1	2	704.659	6.011	1	10		KKCFLO
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2[nH+]c2c(OC)cccc12	ZINC000029475299	562026316	/nfs/dbraw/zinc/02/63/16/562026316.db2.gz	PPDCKRQEMMPNMG-UHFFFAOYSA-N	1	2	501.406	5.316	1	10		KKCFLO
CN(C)c1cccc2c1cccc2S(=O)(=O)NCC[N@H+](C)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1	ZINC000049757077	562675504	/nfs/dbraw/zinc/67/55/04/562675504.db2.gz	KYVRWAGUEBMRLC-UHFFFAOYSA-N	1	2	632.194	5.745	1	10		KKCFLO
CN(C)c1cccc2c1cccc2S(=O)(=O)NCC[N@@H+](C)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1	ZINC000049757077	562675505	/nfs/dbraw/zinc/67/55/05/562675505.db2.gz	KYVRWAGUEBMRLC-UHFFFAOYSA-N	1	2	632.194	5.745	1	10		KKCFLO
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5[nH+]c34)cc2)n1	ZINC000082181710	562741936	/nfs/dbraw/zinc/74/19/36/562741936.db2.gz	WLWWWHBOFNEXAG-UHFFFAOYSA-N	1	2	653.746	5.239	1	10		KKCFLO
Cc1cc(C)c(O)c2c1C[C@H](c1ccc(Cl)cc1)[C@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000084462361	562743105	/nfs/dbraw/zinc/74/31/05/562743105.db2.gz	JCHBJPWKVVPENR-LEAFIULHSA-N	1	2	524.492	5.635	1	10		KKCFLO
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5[nH+]c34)cc2)n1	ZINC000095550340	562760141	/nfs/dbraw/zinc/76/01/41/562760141.db2.gz	SUFOQDSJJKRXLY-UHFFFAOYSA-N	1	2	794.319	7.453	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)c(Cl)c1	ZINC000096915652	562800992	/nfs/dbraw/zinc/80/09/92/562800992.db2.gz	MBELAKXCNCRMKS-RUZDIDTESA-N	1	2	552.897	7.882	1	10		KKCFLO
O=C(c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1)[N+]1=NC(=S)SC1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000103223793	562817526	/nfs/dbraw/zinc/81/75/26/562817526.db2.gz	BKPQFVYWCFZGAM-UHFFFAOYSA-O	1	2	598.089	6.990	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cccc3C)C2=O)cc1F	ZINC000150604250	562847655	/nfs/dbraw/zinc/84/76/55/562847655.db2.gz	HARJPLSZHSEVBF-XAYXJRQQSA-N	1	2	681.765	6.871	1	10		KKCFLO
COc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCC(C)CC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl	ZINC000150605213	562847725	/nfs/dbraw/zinc/84/77/25/562847725.db2.gz	PYSDBKNKMBLVPA-NJNXFGOHSA-N	1	2	748.208	6.925	1	10		KKCFLO
CCOP(=O)(OCC)[C@@H]([NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)c1ccc([N+](=O)[O-])cc1O	ZINC000299836665	562887304	/nfs/dbraw/zinc/88/73/04/562887304.db2.gz	OIIZBHWROJHQBB-XFBWMNOSSA-N	1	2	572.683	7.989	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@@H](Cc2cc[nH+]c(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O	ZINC000085625788	291968449	/nfs/dbraw/zinc/96/84/49/291968449.db2.gz	VQJQPRXNULOVTL-CZNDPXEESA-N	1	2	680.798	7.199	1	10	biogenic,in-vitro	KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@]2(c3cc[nH+]c(N)c3)CCC[C@H]2Cc2ccc[nH]2)ccc1O	ZINC000085625681	291969244	/nfs/dbraw/zinc/96/92/44/291969244.db2.gz	UNCMKGWLXYEFOG-MWWHQNIVSA-N	1	2	698.881	6.811	1	10	biogenic,in-vitro	KKCFLO
CCn1nc(C)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027994696	561893676	/nfs/dbraw/zinc/89/36/76/561893676.db2.gz	AOAKKNSKEKISTJ-CYEXUTLASA-N	1	2	690.632	5.540	1	10		KKCFLO
Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000028000327	561894546	/nfs/dbraw/zinc/89/45/46/561894546.db2.gz	JSPLWJPGZZKDHK-PZSMLTKBSA-N	1	2	718.686	6.176	1	10		KKCFLO
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(-c2c[nH]c[nH+]2)cc1	ZINC000028822674	561967638	/nfs/dbraw/zinc/96/76/38/561967638.db2.gz	ZRYUOFWENXULAQ-UHFFFAOYSA-N	1	2	520.377	7.463	1	10		KKCFLO
Cn1c2ccccc2c2c1ccc(C[NH+](Cc1ccccn1)Cc1ccc3c(c4ccccc4n3C)c1O)c2O	ZINC000049803822	562686245	/nfs/dbraw/zinc/68/62/45/562686245.db2.gz	JCVLRAFFTNQHLK-UHFFFAOYSA-N	1	2	526.640	6.985	1	10		KKCFLO
COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)nn4CC(F)(F)F)cc[nH+]3)CC2(C)C)cc1	ZINC000053184451	562696391	/nfs/dbraw/zinc/69/63/91/562696391.db2.gz	KRYUJWXMBZORSF-UHFFFAOYSA-N	1	2	517.600	5.390	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(F)cc1	ZINC000096901584	562797147	/nfs/dbraw/zinc/79/71/47/562797147.db2.gz	WKEQVKCATKZQJL-VWLOTQADSA-N	1	2	501.997	6.714	1	10		KKCFLO
Nc1ccc(Nc2[nH]c3c([nH+]2)c(Br)c(Br)c(Br)c3Br)cc1	ZINC000117199177	562829679	/nfs/dbraw/zinc/82/96/79/562829679.db2.gz	DPCRJLQPHJUXKZ-UHFFFAOYSA-N	1	2	539.851	5.939	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCCC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1F	ZINC000150605216	562847721	/nfs/dbraw/zinc/84/77/21/562847721.db2.gz	ZKQIRZBNHQBAND-YYADALCUSA-N	1	2	639.684	5.927	1	10		KKCFLO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1	ZINC000013605283	561721735	/nfs/dbraw/zinc/72/17/35/561721735.db2.gz	IQNGVTIQQLDUKB-KXQOOQHDSA-N	1	2	513.622	6.933	1	10		KKCFLO
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4cc([N+](=O)[O-])ccc43)cc2)cc1	ZINC000026849096	561827012	/nfs/dbraw/zinc/82/70/12/561827012.db2.gz	LRSGDRZHINJNLG-UHFFFAOYSA-N	1	2	515.507	5.749	1	10		KKCFLO
CCCn1nc(CC)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000027988789	561892708	/nfs/dbraw/zinc/89/27/08/561892708.db2.gz	SYNAZIGLVVDRMQ-JJQXXVEZSA-N	1	2	718.686	6.184	1	10		KKCFLO
CCn1c2ccccc2c2c1ccc(C[NH+](Cc1ccccn1)Cc1ccc3c(c4ccccc4n3CC)c1O)c2O	ZINC000049853458	562688893	/nfs/dbraw/zinc/68/88/93/562688893.db2.gz	OWKOZDNPHIDXJR-UHFFFAOYSA-N	1	2	554.694	7.951	1	10		KKCFLO
O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1cc(=O)c2cc(O)c(O)cc2o1	ZINC000084633300	562745701	/nfs/dbraw/zinc/74/57/01/562745701.db2.gz	VNWJCXLTKRADKP-UHFFFAOYSA-N	1	2	592.136	7.247	1	10		KKCFLO
Oc1cc(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)c(F)c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC000095606233	562781978	/nfs/dbraw/zinc/78/19/78/562781978.db2.gz	RPYDIZPGFKWGSG-UHFFFAOYSA-N	1	2	547.477	5.622	1	10		KKCFLO
Clc1ccc([C@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C2CCCCC2)cc1	ZINC000096915624	562801005	/nfs/dbraw/zinc/80/10/05/562801005.db2.gz	GFIVSDZCDRMGIG-NDEPHWFRSA-N	1	2	544.490	7.978	1	10		KKCFLO
COc1cc([C@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc(OC)c1OC	ZINC000096915649	562801030	/nfs/dbraw/zinc/80/10/30/562801030.db2.gz	OXLYOFBTWFOJIT-MHZLTWQESA-N	1	2	574.085	6.601	1	10		KKCFLO
CCc1ccc([C@@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1	ZINC000096915665	562801036	/nfs/dbraw/zinc/80/10/36/562801036.db2.gz	JWECCBPIROPOQY-HHHXNRCGSA-N	1	2	512.061	7.137	1	10		KKCFLO
CC(C)(C)n1nnnc1[C@H](Nc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1)c1cccc2ccccc21	ZINC000096915667	562801082	/nfs/dbraw/zinc/80/10/82/562801082.db2.gz	STTPMZPSHQXVCI-GDLZYMKVSA-N	1	2	534.067	7.728	1	10		KKCFLO
Oc1cc(-c2ccccc2)ccc1Cn1c[nH+]cc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1	ZINC000096940293	562804948	/nfs/dbraw/zinc/80/49/48/562804948.db2.gz	RXYSXOXNYGZQOE-UHFFFAOYSA-N	1	2	564.714	8.860	1	10		KKCFLO
COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1F	ZINC000150603830	562847490	/nfs/dbraw/zinc/84/74/90/562847490.db2.gz	MSQYLNJZSXKBIN-HPNDGRJYSA-N	1	2	668.726	5.078	1	10		KKCFLO
COc1cc(N2C(=O)NC(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCCN6CC[NH+](C)CC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl	ZINC000150604229	562847611	/nfs/dbraw/zinc/84/76/11/562847611.db2.gz	XLHAOAUORLHVRO-DARPEHSRSA-N	1	2	749.196	5.441	1	10		KKCFLO
COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3F)C2=O)cc1F	ZINC000150604214	562847616	/nfs/dbraw/zinc/84/76/16/562847616.db2.gz	RHUAFKWPDLSXRB-HIXSDJFHSA-N	1	2	690.679	5.048	1	10		KKCFLO
COc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)nccc2Oc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F	ZINC000150604972	562847687	/nfs/dbraw/zinc/84/76/87/562847687.db2.gz	LDOCJJLHVVBHGQ-LKUDQCMESA-N	1	2	706.146	7.047	1	10		KKCFLO
CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2ccc[n+](NC(N)=O)c2)c2ccc(-c3ccc(F)cc3)cc21	ZINC000377825244	562896169	/nfs/dbraw/zinc/89/61/69/562896169.db2.gz	PIDJRYZVLKJXSB-MUUNZHRXSA-O	1	2	569.642	5.752	1	10		KKCFLO
Cc1nn(-c2ccccc2)c(-n2cc[nH+]c2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1	ZINC000473084198	562896867	/nfs/dbraw/zinc/89/68/67/562896867.db2.gz	QXWJURHFGDANKD-HRXKUDGMSA-N	1	2	551.657	5.843	1	10		KKCFLO
Cc1nn(-c2ccccc2)c(-n2cc[nH+]c2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1	ZINC000473091487	562897687	/nfs/dbraw/zinc/89/76/87/562897687.db2.gz	YVTYNDNIEXZRKN-HRXKUDGMSA-N	1	2	567.725	6.311	1	10		KKCFLO
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@@]2(c3cc[nH+]c(N)c3)CCC[C@@H]2Cc2ccc[nH]2)ccc1O	ZINC000085625702	565159178	/nfs/dbraw/zinc/15/91/78/565159178.db2.gz	QFJZZTIWUAHFJH-ONYCSUPSSA-N	1	2	628.746	5.004	1	10	biogenic,in-vitro	KKCFLO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1	ZINC000013605285	561721723	/nfs/dbraw/zinc/72/17/23/561721723.db2.gz	IQNGVTIQQLDUKB-LHEWISCISA-N	1	2	513.622	6.933	1	10		KKCFLO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2[nH+]c2c(OC)cccc12	ZINC000026938666	561827954	/nfs/dbraw/zinc/82/79/54/561827954.db2.gz	SBWIZOPRQARJBI-UHFFFAOYSA-N	1	2	549.390	5.125	1	10		KKCFLO
Cc1n[nH]c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4CO[C@@](Cn5cc[nH+]c5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1	ZINC000027990403	561892958	/nfs/dbraw/zinc/89/29/58/561892958.db2.gz	NOMVMGRSBAVOBD-CYTLCNBWSA-N	1	2	662.578	5.046	1	10		KKCFLO
CC(C)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O	ZINC000028002664	561894946	/nfs/dbraw/zinc/89/49/46/561894946.db2.gz	XLHYRXMOCWVVCQ-KUFVUHJUSA-N	1	2	704.659	5.867	1	10		KKCFLO
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4[nH+]c4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1	ZINC000082178824	562741828	/nfs/dbraw/zinc/74/18/28/562741828.db2.gz	UHYNFRILRIDOCV-UHFFFAOYSA-N	1	2	688.191	5.892	1	10		KKCFLO
Cc1cc(C)c(O)c2c1C[C@@H](c1ccc(Cl)cc1)[C@@H]2NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000084462360	562743131	/nfs/dbraw/zinc/74/31/31/562743131.db2.gz	JCHBJPWKVVPENR-LSYYVWMOSA-N	1	2	524.492	5.635	1	10		KKCFLO
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccc(Cl)cc5[nH+]c34)cc2)n1	ZINC000095550301	562760080	/nfs/dbraw/zinc/76/00/80/562760080.db2.gz	NOTXHJJZOBYGHI-UHFFFAOYSA-N	1	2	794.319	7.453	1	10		KKCFLO
CCc1ccc([C@H](Nc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1	ZINC000096915663	562801078	/nfs/dbraw/zinc/80/10/78/562801078.db2.gz	JWECCBPIROPOQY-MHZLTWQESA-N	1	2	512.061	7.137	1	10		KKCFLO
Cc1ccc(-n2nc(C(C)(C)C)cc2C(C=O)C(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1	ZINC000101667456	562811644	/nfs/dbraw/zinc/81/16/44/562811644.db2.gz	BCTOQGZHYYWMHT-QYQHSDTDSA-N	1	2	554.691	5.880	1	10		KKCFLO