smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@H]23)c(Cl)s1	ZINC000003923538	561686189	/nfs/dbraw/zinc/68/61/89/561686189.db2.gz	OBZREKINKKRXQH-SJCJUFQRSA-N	0	2	590.094	0.691	1	30		KCEFLN
C#CCONC(=O)O[C@H]1[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(=O)NCC[NH+]4CCOCC4)c(=O)oc3c2C)OC(C)(C)[C@@H]1OC	ZINC000003981084	561692534	/nfs/dbraw/zinc/69/25/34/561692534.db2.gz	BDJXOVAHODDJOL-IFZRMHHFSA-N	0	2	619.624	0.418	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@@H]23)c(Cl)s1	ZINC000009164186	561708848	/nfs/dbraw/zinc/70/88/48/561708848.db2.gz	OBZREKINKKRXQH-OJIZHXQISA-N	0	2	590.094	0.691	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@H]23)c(Cl)s1	ZINC000009164529	561708816	/nfs/dbraw/zinc/70/88/16/561708816.db2.gz	OBZREKINKKRXQH-JRCHMCSZSA-N	0	2	590.094	0.691	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@@H]23)c(Cl)s1	ZINC000009164530	561708895	/nfs/dbraw/zinc/70/88/95/561708895.db2.gz	OBZREKINKKRXQH-RIHVUNTPSA-N	0	2	590.094	0.691	1	30		KCEFLN
Cc1ccc(S(=O)(=O)N=C(O)N2CCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1	ZINC000013808073	561731612	/nfs/dbraw/zinc/73/16/12/561731612.db2.gz	ZHVKSFRIAUDAIH-KRWDZBQOSA-N	0	2	508.582	0.663	1	30		KCEFLN
Cc1ccc(S(=O)(=O)N=C(O)N2CCC[C@H]2C(=O)Nc2ccc(S(=O)(=O)NN=C(N)N)cc2)cc1	ZINC000013808176	561731604	/nfs/dbraw/zinc/73/16/04/561731604.db2.gz	QNRXKZUDSAQTOG-KRWDZBQOSA-N	0	2	523.597	0.377	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4scnc4CSCC[NH3+])CS[C@H]23)n1	ZINC000018163548	561758184	/nfs/dbraw/zinc/75/81/84/561758184.db2.gz	JOXAVGLMHKTDEC-DWVKKRMSSA-N	0	2	567.700	0.979	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@@H]23)cs1	ZINC000026250538	561773889	/nfs/dbraw/zinc/77/38/89/561773889.db2.gz	YUQLCVVRWFAOME-GOYWGBOTSA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@H]23)cs1	ZINC000026250543	561773874	/nfs/dbraw/zinc/77/38/74/561773874.db2.gz	YUQLCVVRWFAOME-KQSJCSLWSA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@@H]23)cs1	ZINC000026250550	561774154	/nfs/dbraw/zinc/77/41/54/561774154.db2.gz	YUQLCVVRWFAOME-AMAOLIDASA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@H]23)cs1	ZINC000026250557	561774109	/nfs/dbraw/zinc/77/41/09/561774109.db2.gz	YUQLCVVRWFAOME-HLGSVHEWSA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4nc(N)cc(N)[nH+]4)CS[C@@H]23)cs1	ZINC000026266135	561776330	/nfs/dbraw/zinc/77/63/30/561776330.db2.gz	NVUILMGZCTXODM-GOYWGBOTSA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4nc(N)cc(N)[nH+]4)CS[C@H]23)cs1	ZINC000026266142	561776383	/nfs/dbraw/zinc/77/63/83/561776383.db2.gz	NVUILMGZCTXODM-KQSJCSLWSA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4nc(N)cc(N)[nH+]4)CS[C@@H]23)cs1	ZINC000026266149	561776313	/nfs/dbraw/zinc/77/63/13/561776313.db2.gz	NVUILMGZCTXODM-AMAOLIDASA-N	0	2	555.649	0.037	1	30		KCEFLN
Nc1[nH+]c(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4nc(N)cc(N)[nH+]4)CS[C@H]23)cs1	ZINC000026266155	561776368	/nfs/dbraw/zinc/77/63/68/561776368.db2.gz	NVUILMGZCTXODM-HLGSVHEWSA-N	0	2	555.649	0.037	1	30		KCEFLN
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC(O)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO	ZINC000026580312	561805775	/nfs/dbraw/zinc/80/57/75/561805775.db2.gz	FSVQBLXZMJFWFD-ZCNNSNEGSA-N	0	2	541.646	0.045	1	30		KCEFLN
Cc1ccccc1S(=O)(=O)N=C(O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000026733757	561817047	/nfs/dbraw/zinc/81/70/47/561817047.db2.gz	QIOYPIKTLKWVLA-SDHOMARFSA-N	0	2	667.745	0.831	1	30		KCEFLN
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[N+](C)(CC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)/C(=N\OC)c6csc(N)n6)[C@H]5SC4)CC3)cc21	ZINC000027737534	561882132	/nfs/dbraw/zinc/88/21/32/561882132.db2.gz	BNFYMTGZLROCBA-DZBKVFFFSA-O	0	2	729.793	0.953	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4ccnc(SCC[NH3+])n4)CS[C@H]23)n1	ZINC000028771242	561961496	/nfs/dbraw/zinc/96/14/96/561961496.db2.gz	PSGRDWUCMSGFDT-LOBWNANLSA-N	0	2	548.632	0.171	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4nc(CSCC[NH3+])cs4)CS[C@H]23)n1	ZINC000028771878	561961518	/nfs/dbraw/zinc/96/15/18/561961518.db2.gz	QZPUTEPHHRWBSP-DWVKKRMSSA-N	0	2	567.700	0.979	1	30		KCEFLN
Nc1nc(CSCC[NH3+])c(SC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N\O)c4cccc(N)n4)[C@H]3SC2)s1	ZINC000028771937	561961508	/nfs/dbraw/zinc/96/15/08/561961508.db2.gz	YFXTYIKAIIFHLJ-HQGGCZRKSA-N	0	2	582.715	0.561	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4cncc(SCC[NH3+])n4)CS[C@H]23)n1	ZINC000028772099	561961605	/nfs/dbraw/zinc/96/16/05/561961605.db2.gz	PFOBYDJSBBSCGE-CDOVDWRASA-N	0	2	548.632	0.171	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4snnc4CSCC[NH3+])CS[C@H]23)n1	ZINC000028772216	561961614	/nfs/dbraw/zinc/96/16/14/561961614.db2.gz	KTAZPGCENAAJIN-BGZQYGJUSA-N	0	2	568.688	0.374	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4nccnc4SCC[NH3+])CS[C@H]23)n1	ZINC000028772219	561961629	/nfs/dbraw/zinc/96/16/29/561961629.db2.gz	HCEIVIYEVRQRDA-KQUDGDNTSA-N	0	2	548.632	0.171	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4nc(CSCC[NH3+])ns4)CS[C@H]23)n1	ZINC000029202933	562004803	/nfs/dbraw/zinc/00/48/03/562004803.db2.gz	FBEPUYDDOCDHQO-BGZQYGJUSA-N	0	2	568.688	0.374	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4ccncc4CSCC[NH3+])CS[C@H]23)n1	ZINC000029203408	562004745	/nfs/dbraw/zinc/00/47/45/562004745.db2.gz	SNFBKZNBHQDMFE-VFYRPSQSSA-N	0	2	561.671	0.917	1	30		KCEFLN
COc1nc(CSCC[NH3+])c(SC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N\O)c4cccc(N)n4)[C@H]3SC2)s1	ZINC000029204442	562004912	/nfs/dbraw/zinc/00/49/12/562004912.db2.gz	DERNZEIDLSNLQL-LOBWNANLSA-N	0	2	597.726	0.988	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4nc(SCCC[NH3+])ns4)CS[C@H]23)n1	ZINC000029205778	562005044	/nfs/dbraw/zinc/00/50/44/562005044.db2.gz	LCGFNFXTGZFGAN-OOBLCDADSA-N	0	2	568.688	0.623	1	30		KCEFLN
Nc1cccc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Sc4nc(SCC[NH3+])ns4)CS[C@H]23)n1	ZINC000029206011	562005172	/nfs/dbraw/zinc/00/51/72/562005172.db2.gz	VXGVOOQIMFVKFG-ZQJCLXBRSA-N	0	2	554.661	0.233	1	30		KCEFLN
C[N@@H+]1[C@@H]2[C@H](C(=O)[O-])C[C@H]1[C@@H](C#N)N1[C@@H](CO)c3c(O)c(SCCO)c(SCCO)c(O)c3C[C@@H]21	ZINC000040801136	562079848	/nfs/dbraw/zinc/07/98/48/562079848.db2.gz	UBFMNBAHQXBESN-WWJWCPLUSA-N	0	2	511.622	0.206	1	30		KCEFLN
C[N@H+]1[C@@H]2[C@H](C(=O)[O-])C[C@H]1[C@@H](C#N)N1[C@@H](CO)c3c(O)c(SCCO)c(SCCO)c(O)c3C[C@@H]21	ZINC000040801136	562079847	/nfs/dbraw/zinc/07/98/47/562079847.db2.gz	UBFMNBAHQXBESN-WWJWCPLUSA-N	0	2	511.622	0.206	1	30		KCEFLN
Nc1[nH+]c(/C(=N\[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(SCSc4cc(N)nc(N)[nH+]4)CS[C@H]23)c(Cl)s1	ZINC000049694666	562669599	/nfs/dbraw/zinc/66/95/99/562669599.db2.gz	OBZREKINKKRXQH-IEWLRHSUSA-N	0	2	590.094	0.691	1	30		KCEFLN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-]	ZINC000049774431	562678622	/nfs/dbraw/zinc/67/86/22/562678622.db2.gz	KBYPXIYSVBIRRP-KMAVCZJNSA-N	0	2	732.886	0.170	1	30		KCEFLN
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-]	ZINC000049774431	562678621	/nfs/dbraw/zinc/67/86/21/562678621.db2.gz	KBYPXIYSVBIRRP-KMAVCZJNSA-N	0	2	732.886	0.170	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)[C@@H]5CCC[N@H+]5C)cc(F)c4C[C@H]3C[C@@H]12	ZINC000068246927	562716183	/nfs/dbraw/zinc/71/61/83/562716183.db2.gz	IXMIZHVJXGKPJI-HMFHYXQTSA-N	0	2	558.563	0.292	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)[C@@H]5CCC[N@@H+]5C)cc(F)c4C[C@H]3C[C@@H]12	ZINC000068246927	562716182	/nfs/dbraw/zinc/71/61/82/562716182.db2.gz	IXMIZHVJXGKPJI-HMFHYXQTSA-N	0	2	558.563	0.292	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(cc5ccc(CN6CC(O)C6)cc5c4O)C[C@H]3C[C@@H]12	ZINC000071294413	562716881	/nfs/dbraw/zinc/71/68/81/562716881.db2.gz	COCYEBZFDUVJFY-MGVDVOGZSA-N	0	2	549.580	0.450	1	30		KCEFLN
CC(=O)NC1CN(Cc2ccc3cc4c(c(O)c3c2)C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]2C4)C1	ZINC000071295459	562717278	/nfs/dbraw/zinc/71/72/78/562717278.db2.gz	QOQPRWJXOXOUAO-XDZIFMCMSA-N	0	2	590.633	0.594	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)C[NH+]5CCCCC5)cc(F)c4C[C@H]3C[C@@H]12	ZINC000073280630	562737447	/nfs/dbraw/zinc/73/74/47/562737447.db2.gz	QPUVUBXMAZYMJX-QFBSOPCBSA-N	0	2	572.590	0.684	1	30		KCEFLN
COC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(F)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000082155437	562740510	/nfs/dbraw/zinc/74/05/10/562740510.db2.gz	IZGHVBRUVUNULK-PPVZHSMFSA-N	0	2	602.616	0.309	1	30		KCEFLN
COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000082155437	562740509	/nfs/dbraw/zinc/74/05/09/562740509.db2.gz	IZGHVBRUVUNULK-PPVZHSMFSA-N	0	2	602.616	0.309	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)[C@H]5CCC[N@H+]5C)cc(F)c4C[C@H]3C[C@@H]12	ZINC000084671636	562748657	/nfs/dbraw/zinc/74/86/57/562748657.db2.gz	IXMIZHVJXGKPJI-NYQSBSFFSA-N	0	2	558.563	0.292	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)[C@H]5CCC[N@@H+]5C)cc(F)c4C[C@H]3C[C@@H]12	ZINC000084671636	562748656	/nfs/dbraw/zinc/74/86/56/562748656.db2.gz	IXMIZHVJXGKPJI-NYQSBSFFSA-N	0	2	558.563	0.292	1	30		KCEFLN
CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000084671637	562748630	/nfs/dbraw/zinc/74/86/30/562748630.db2.gz	WUPFFGNZEXEDMW-CQBHUNIESA-N	0	2	572.590	0.683	1	30		KCEFLN
CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000084671637	562748629	/nfs/dbraw/zinc/74/86/29/562748629.db2.gz	WUPFFGNZEXEDMW-CQBHUNIESA-N	0	2	572.590	0.683	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)[C@@H]5CCCC[N@H+]5C)cc(F)c4C[C@H]3C[C@@H]12	ZINC000084689518	562749384	/nfs/dbraw/zinc/74/93/84/562749384.db2.gz	NFEIUKAEVZXXHF-CQBHUNIESA-N	0	2	572.590	0.683	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c(NC(=O)[C@@H]5CCCC[N@@H+]5C)cc(F)c4C[C@H]3C[C@@H]12	ZINC000084689518	562749383	/nfs/dbraw/zinc/74/93/83/562749383.db2.gz	NFEIUKAEVZXXHF-CQBHUNIESA-N	0	2	572.590	0.683	1	30		KCEFLN
C=C[C@@H]1[C@H](CC(=O)[O-])C(C(=O)OC)=CC2(CCCC2)[C@H]1O[C@@H]1O[C@H](CO)[C@]23OC(CCCO)=C4[NH2+]C=CC4=C2CC[C@@]1(O)[C@H]3O	ZINC000085507266	565131157	/nfs/dbraw/zinc/13/11/57/565131157.db2.gz	ONIQWOLGRNCYRO-GDBYUCHBSA-N	0	2	628.695	0.156	1	30	biogenic,in-vitro	KCEFLN
C=C[C@@H]1[C@H](CC(=O)[O-])C(C(=O)OC)=CC2(CCCC2)[C@H]1O[C@@H]1O[C@H](CO)[C@]23OC=C4[NH2+]C=CC4=C2CC[C@@]1(O)[C@H]3O	ZINC000085507332	291645976	/nfs/dbraw/zinc/64/59/76/291645976.db2.gz	IBCNTSLAGGMHHQ-YNAIGKNMSA-N	0	2	570.615	0.013	1	30	biogenic,in-vitro	KCEFLN
C=CC[C@H](NC(=O)C(NS(=O)(=O)N1CCOCC1)=C(O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1	ZINC000095542108	562756523	/nfs/dbraw/zinc/75/65/23/562756523.db2.gz	YXCQESFVPGIRPO-AWCRTANDSA-N	0	2	768.881	0.573	1	30		KCEFLN
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-]	ZINC000095543245	562757136	/nfs/dbraw/zinc/75/71/36/562757136.db2.gz	ICGIKYKOXHUXHW-OBXRUURASA-N	0	2	758.924	0.656	1	30		KCEFLN
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CS)NC(=O)CNS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-]	ZINC000095543245	562757135	/nfs/dbraw/zinc/75/71/35/562757135.db2.gz	ICGIKYKOXHUXHW-OBXRUURASA-N	0	2	758.924	0.656	1	30		KCEFLN
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)c3cn(CCF)c4c(F)c(N5CC[NH+](C)CC5)c(F)cc4c3=O)CS[C@H]12)c1csc(N)n1	ZINC000095605999	562781818	/nfs/dbraw/zinc/78/18/18/562781818.db2.gz	IKYGJSBKPPIKJK-JDKVAZDPSA-N	0	2	764.765	0.986	1	30	investigational	KCEFLN
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)c3cn(CCF)c4c(F)c(N5CC[NH+](C)CC5)c(F)cc4c3=O)CS[C@@H]12)c1csc(N)n1	ZINC000095606200	562781971	/nfs/dbraw/zinc/78/19/71/562781971.db2.gz	IKYGJSBKPPIKJK-QGYVJVTQSA-N	0	2	764.765	0.986	1	30		KCEFLN
C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@]4(O)O[C@]31C(C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@]1(C)O	ZINC000096273220	562794462	/nfs/dbraw/zinc/79/44/62/562794462.db2.gz	YZUAXNXKMCPACX-SAQMRDOOSA-N	0	2	528.554	0.654	1	30		KCEFLN
C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@]4(O)O[C@]31[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@]1(C)O	ZINC000096273220	562794461	/nfs/dbraw/zinc/79/44/61/562794461.db2.gz	YZUAXNXKMCPACX-SAQMRDOOSA-N	0	2	528.554	0.654	1	30		KCEFLN
C=C[C@@H]1C2=C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)C2C(=O)O[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000100735805	562807275	/nfs/dbraw/zinc/80/72/75/562807275.db2.gz	YBOINZVFMANTIG-CTVHKALQSA-N	0	2	512.515	0.278	1	30		KCEFLN
CCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000100754132	562807401	/nfs/dbraw/zinc/80/74/01/562807401.db2.gz	UOXCZKZLFAZKJN-XKZJRHFXSA-N	0	2	504.561	0.386	1	30		KCEFLN
CCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000100754137	562807360	/nfs/dbraw/zinc/80/73/60/562807360.db2.gz	UOXCZKZLFAZKJN-KVQNNLNTSA-N	0	2	504.561	0.386	1	30		KCEFLN
CCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100754143	562807350	/nfs/dbraw/zinc/80/73/50/562807350.db2.gz	UOXCZKZLFAZKJN-UNYFSSILSA-N	0	2	504.561	0.386	1	30		KCEFLN
CCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000100754148	562807385	/nfs/dbraw/zinc/80/73/85/562807385.db2.gz	UOXCZKZLFAZKJN-UGTLXUGVSA-N	0	2	504.561	0.386	1	30		KCEFLN
CC(C)SC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000100754153	562807416	/nfs/dbraw/zinc/80/74/16/562807416.db2.gz	PZDIQVQQLPUURG-MEAWFWQYSA-N	0	2	518.588	0.774	1	30		KCEFLN
CC(C)SC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000100754158	562807443	/nfs/dbraw/zinc/80/74/43/562807443.db2.gz	PZDIQVQQLPUURG-ZDNRGFNQSA-N	0	2	518.588	0.774	1	30		KCEFLN
CC(C)SC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100754163	562807527	/nfs/dbraw/zinc/80/75/27/562807527.db2.gz	PZDIQVQQLPUURG-QMANMTJXSA-N	0	2	518.588	0.774	1	30		KCEFLN
CC(C)SC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000100754171	562807466	/nfs/dbraw/zinc/80/74/66/562807466.db2.gz	PZDIQVQQLPUURG-KZBOSCHZSA-N	0	2	518.588	0.774	1	30		KCEFLN
CCCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000100754345	562807630	/nfs/dbraw/zinc/80/76/30/562807630.db2.gz	KPKROMWIJQZOIM-MEAWFWQYSA-N	0	2	518.588	0.776	1	30		KCEFLN
CCCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000100754350	562807593	/nfs/dbraw/zinc/80/75/93/562807593.db2.gz	KPKROMWIJQZOIM-ZDNRGFNQSA-N	0	2	518.588	0.776	1	30		KCEFLN
CCCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000100754355	562807570	/nfs/dbraw/zinc/80/75/70/562807570.db2.gz	KPKROMWIJQZOIM-QMANMTJXSA-N	0	2	518.588	0.776	1	30		KCEFLN
CCCSC[C@H]1c2cccc(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000100754357	562807574	/nfs/dbraw/zinc/80/75/74/562807574.db2.gz	KPKROMWIJQZOIM-KZBOSCHZSA-N	0	2	518.588	0.776	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCC2)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100788579	562807914	/nfs/dbraw/zinc/80/79/14/562807914.db2.gz	WAUWSWFWQJNRBC-AXFQPOKPSA-N	0	2	583.642	0.064	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCC2)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100788580	562807896	/nfs/dbraw/zinc/80/78/96/562807896.db2.gz	WAUWSWFWQJNRBC-UAGKTBOXSA-N	0	2	583.642	0.064	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCC2)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100788582	562807875	/nfs/dbraw/zinc/80/78/75/562807875.db2.gz	WAUWSWFWQJNRBC-OKYWTRNGSA-N	0	2	583.642	0.064	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCC2)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100788583	562807991	/nfs/dbraw/zinc/80/79/91/562807991.db2.gz	WAUWSWFWQJNRBC-WOTXACPJSA-N	0	2	583.642	0.064	1	30		KCEFLN
CC[NH+](CC)c1cc(NC=O)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100806842	562808091	/nfs/dbraw/zinc/80/80/91/562808091.db2.gz	UCVNHXHUKZSICL-XMTOUCADSA-N	0	2	528.562	0.379	1	30		KCEFLN
CC[NH+](CC)c1cc(NC=O)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100806843	562808053	/nfs/dbraw/zinc/80/80/53/562808053.db2.gz	UCVNHXHUKZSICL-XEYSTTSPSA-N	0	2	528.562	0.379	1	30		KCEFLN
CC[NH+](CC)c1cc(NC=O)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100806845	562808062	/nfs/dbraw/zinc/80/80/62/562808062.db2.gz	UCVNHXHUKZSICL-CWFCVSJASA-N	0	2	528.562	0.379	1	30		KCEFLN
CC[NH+](CC)c1cc(NC=O)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100806846	562808082	/nfs/dbraw/zinc/80/80/82/562808082.db2.gz	UCVNHXHUKZSICL-CQYRGEEPSA-N	0	2	528.562	0.379	1	30		KCEFLN
CC[NH+](CC)c1cc(NC(C)=O)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101151260	562809531	/nfs/dbraw/zinc/80/95/31/562809531.db2.gz	BGCCYPPGPUDFID-YDHSIQNHSA-N	0	2	542.589	0.769	1	30		KCEFLN
CC[NH+](CC)c1cc(NC(C)=O)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101151261	562809506	/nfs/dbraw/zinc/80/95/06/562809506.db2.gz	BGCCYPPGPUDFID-PTBBOXMLSA-N	0	2	542.589	0.769	1	30		KCEFLN
CC[NH+](CC)c1cc(NC(C)=O)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101151263	562809490	/nfs/dbraw/zinc/80/94/90/562809490.db2.gz	BGCCYPPGPUDFID-PNPVHGILSA-N	0	2	542.589	0.769	1	30		KCEFLN
CC[NH+](CC)c1cc(NC(C)=O)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101151265	562809496	/nfs/dbraw/zinc/80/94/96/562809496.db2.gz	BGCCYPPGPUDFID-LKRFUCJGSA-N	0	2	542.589	0.769	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101194485	562809946	/nfs/dbraw/zinc/80/99/46/562809946.db2.gz	FQDPUDFXYSIARF-ACRCKWAZSA-N	0	2	597.669	0.454	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101194488	562809968	/nfs/dbraw/zinc/80/99/68/562809968.db2.gz	FQDPUDFXYSIARF-QECBPRTPSA-N	0	2	597.669	0.454	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101194490	562809958	/nfs/dbraw/zinc/80/99/58/562809958.db2.gz	FQDPUDFXYSIARF-IKQIJGONSA-N	0	2	597.669	0.454	1	30		KCEFLN
CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000101194494	562809950	/nfs/dbraw/zinc/80/99/50/562809950.db2.gz	FQDPUDFXYSIARF-CAEULZPPSA-N	0	2	597.669	0.454	1	30		KCEFLN
C[C@H]1c2ccc(-c3ccc(N)cc3)c(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000101501975	562811054	/nfs/dbraw/zinc/81/10/54/562811054.db2.gz	WAFSKMWPCJPQOS-UQTHJIEPSA-N	0	2	535.553	0.902	1	30		KCEFLN
C[C@H]1c2ccc(-c3ccc(N)cc3)c(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000101501977	562811064	/nfs/dbraw/zinc/81/10/64/562811064.db2.gz	WAFSKMWPCJPQOS-DNRWOCLQSA-N	0	2	535.553	0.902	1	30		KCEFLN
C[C@H]1c2ccc(-c3ccc(N)cc3)c(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000101501979	562811045	/nfs/dbraw/zinc/81/10/45/562811045.db2.gz	WAFSKMWPCJPQOS-HJGHTYHLSA-N	0	2	535.553	0.902	1	30		KCEFLN
C[C@H]1c2ccc(-c3ccc(N)cc3)c(O)c2C(O)=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000101501981	562811041	/nfs/dbraw/zinc/81/10/41/562811041.db2.gz	WAFSKMWPCJPQOS-PSSMGRKLSA-N	0	2	535.553	0.902	1	30		KCEFLN
C[C@@H]1CN2c3c(cc4c(onc4N4C(=O)OC[C@@H]4/C=N/O)c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000145679015	562837436	/nfs/dbraw/zinc/83/74/36/562837436.db2.gz	UYAKGQQGFVNOOU-NZEFXVQXSA-N	0	2	516.442	0.643	1	30		KCEFLN
C[C@@H]1CN2c3c(cc4c(onc4N4C[C@H](/C=N/O)OC4=O)c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000147992480	562839821	/nfs/dbraw/zinc/83/98/21/562839821.db2.gz	HROBOUQRTFLYDF-NZEFXVQXSA-N	0	2	516.442	0.643	1	30		KCEFLN
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)[C@]4(O)[C@H]6C[C@@H](C)[C@@H](O)[C@]4(O5)C(=O)O6)c(O)c3C(=O)C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150362252	291660767	/nfs/dbraw/zinc/66/07/67/291660767.db2.gz	ZDFMCIIBGIKWCG-SEFRELKWSA-N	0	2	624.551	0.836	1	30	biogenic,in-vitro	KCEFLN
C[NH+](C)CC(=O)Nc1cc(I)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000150592477	562846320	/nfs/dbraw/zinc/84/63/20/562846320.db2.gz	VZXUMDMBJREPIS-DQNUIZSNSA-N	0	2	640.431	0.225	1	30		KCEFLN
C[NH+](C)CC(=O)Nc1cc(I)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3C[C@@H]1C2	ZINC000150592479	562846317	/nfs/dbraw/zinc/84/63/17/562846317.db2.gz	VZXUMDMBJREPIS-ZZIKGRNJSA-N	0	2	640.431	0.225	1	30		KCEFLN
C[NH+](C)CC(=O)Nc1cc(I)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@H]1C2	ZINC000150592480	562846323	/nfs/dbraw/zinc/84/63/23/562846323.db2.gz	VZXUMDMBJREPIS-IIAITADPSA-N	0	2	640.431	0.225	1	30		KCEFLN
C[NH+](C)CC(=O)Nc1cc(I)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3C[C@H]1C2	ZINC000150592482	562846314	/nfs/dbraw/zinc/84/63/14/562846314.db2.gz	VZXUMDMBJREPIS-AFNFMGDBSA-N	0	2	640.431	0.225	1	30		KCEFLN
C[C@H]1c2ccc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000150611761	562848522	/nfs/dbraw/zinc/84/85/22/562848522.db2.gz	KKHQKUMQXCGIGX-FTEMKECZSA-N	0	2	634.686	0.764	1	30		KCEFLN
C[C@H]1c2ccc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21	ZINC000150611765	562848489	/nfs/dbraw/zinc/84/84/89/562848489.db2.gz	KKHQKUMQXCGIGX-AGJUEJFYSA-N	0	2	634.686	0.764	1	30		KCEFLN
C[C@H]1c2ccc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000150611767	562848526	/nfs/dbraw/zinc/84/85/26/562848526.db2.gz	KKHQKUMQXCGIGX-LOVDWHEKSA-N	0	2	634.686	0.764	1	30		KCEFLN
C[C@H]1c2ccc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21	ZINC000150611770	562848507	/nfs/dbraw/zinc/84/85/07/562848507.db2.gz	KKHQKUMQXCGIGX-PHGNNPJVSA-N	0	2	634.686	0.764	1	30		KCEFLN
C[N@@H+]1[C@@H]2[C@H](C(=O)[O-])C[C@H]1[C@H](C#N)N1[C@@H](CO)c3c(O)c(SCCO)c(SCCO)c(O)c3C[C@@H]21	ZINC000169365483	562864450	/nfs/dbraw/zinc/86/44/50/562864450.db2.gz	UBFMNBAHQXBESN-WSRVUTDQSA-N	0	2	511.622	0.206	1	30		KCEFLN
C[N@H+]1[C@@H]2[C@H](C(=O)[O-])C[C@H]1[C@H](C#N)N1[C@@H](CO)c3c(O)c(SCCO)c(SCCO)c(O)c3C[C@@H]21	ZINC000169365483	562864449	/nfs/dbraw/zinc/86/44/49/562864449.db2.gz	UBFMNBAHQXBESN-WSRVUTDQSA-N	0	2	511.622	0.206	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2c(C#N)cc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000473107222	562898311	/nfs/dbraw/zinc/89/83/11/562898311.db2.gz	IFCORNYICQYWIU-BCCDEEGJSA-N	0	2	552.477	0.963	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2c(C#N)cc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000473107224	562898334	/nfs/dbraw/zinc/89/83/34/562898334.db2.gz	IFCORNYICQYWIU-BUDHBXMCSA-N	0	2	552.477	0.963	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000473107225	562898329	/nfs/dbraw/zinc/89/83/29/562898329.db2.gz	IFCORNYICQYWIU-FYUGEWOTSA-N	0	2	552.477	0.963	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1	ZINC000473107229	562898291	/nfs/dbraw/zinc/89/82/91/562898291.db2.gz	IFCORNYICQYWIU-QJLLJHKGSA-N	0	2	552.477	0.963	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2c(C#N)cc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000473108486	562898377	/nfs/dbraw/zinc/89/83/77/562898377.db2.gz	MBYNPWQMPFOQAW-BJMYXFJYSA-N	0	2	538.450	0.573	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000473108487	562898388	/nfs/dbraw/zinc/89/83/88/562898388.db2.gz	MBYNPWQMPFOQAW-DVHRLPNVSA-N	0	2	538.450	0.573	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@H](n2c(C#N)cc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000473108488	562898393	/nfs/dbraw/zinc/89/83/93/562898393.db2.gz	MBYNPWQMPFOQAW-DVTHUAEQSA-N	0	2	538.450	0.573	1	30		KCEFLN
CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2c(C#N)cc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)Oc1ccccc1	ZINC000473108489	562898379	/nfs/dbraw/zinc/89/83/79/562898379.db2.gz	MBYNPWQMPFOQAW-JGZKXVAESA-N	0	2	538.450	0.573	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c5c(c(F)c4C[C@H]3C[C@@H]12)[C@@H]1[C@@H](CC[N@H+]1CCO)CN5	ZINC000473168191	562903105	/nfs/dbraw/zinc/90/31/05/562903105.db2.gz	KWNKQJLQJZKIAY-GFXBZGKSSA-N	0	2	572.590	0.041	1	30		KCEFLN
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)c5c(c(F)c4C[C@H]3C[C@@H]12)[C@@H]1[C@@H](CC[N@@H+]1CCO)CN5	ZINC000473168191	562903104	/nfs/dbraw/zinc/90/31/04/562903104.db2.gz	KWNKQJLQJZKIAY-GFXBZGKSSA-N	0	2	572.590	0.041	1	30		KCEFLN