smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)NC1	253665549	PBNTZYCTNYCRCI-RRGIJBDPSA-N	410.964	0.047	50	1	HCGF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H](C)O)cc1	586939801	XDGOPRIAHQLSJH-HWPZZCPQSA-N	419.463	0.575	50	1	HCGF	
CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	195441460	GPBQGDFLPPHWKS-VXHZHALISA-N	423.466	0.020	50	1	HCGF	
CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CO[C@]2(COC(C)(C)O2)[C@@]1(OC)[C@]1(C)CO1	26832956	YLHQPTLNXFJWQI-QNDGTLDXSA-N	423.846	0.545	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)NC1	253704483	PBNTZYCTNYCRCI-YVUJFGATSA-N	410.964	0.047	50	1	HCGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O	5706488	DPXKPKOKTUWXPA-AEGPPILISA-N	407.810	0.554	50	1	HCGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)CI)O2)c(=O)[nH]c1=O	27737736	FOSBITWDJIERJS-HBNTYKKESA-N	408.192	0.278	50	1	HCGF	
O=C(O)c1cccc2c1CCN[C@@]2(CBr)c1ccc(B(O)O)cc1F	963126602	WDODHHYRQOIAMP-QGZVFWFLSA-N	408.032	0.988	50	1	HCGF	
O=C(CCC(=O)N/N=C/c1ccc(O)c(O)c1O)N/N=C/c1ccc(O)c(O)c1O	299830951	ZSSNJJPFDCSVRK-OKXCLTPOSA-N	418.362	0.301	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1	26375570	ZVNFZNNECIXYJZ-UGURTAOASA-N	410.964	0.190	50	1	HCGF	
O=C(C[n+]1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1	38732771	NXRLTJHVRANPCV-UHFFFAOYSA-P	402.458	0.562	50	1	HCGF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl	963234263	UNGQHPUNUQZSSR-NYPXFFEGSA-N	407.209	0.965	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)NC1	253704466	PBNTZYCTNYCRCI-CTLCQSESSA-N	410.964	0.047	50	1	HCGF	
O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3cccc4ccccc34)CCC2)[C@H](O)O1	36092960	BFIRSNDOLOQSCL-MAUKXSAKSA-N	411.414	0.521	50	1	HCGF	
CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@@]3(NC(=O)CBr)[C@H]1C5	169310608	WPEIOODEGJJMDJ-ZGXYDKCCSA-N	421.291	0.832	50	1	HCGF	
COC(=O)/C=C1\[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	195802451	PTJIYYNOAIUMBK-MXYQDZGUSA-N	412.515	0.916	50	1	HCGF	
C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc([N+](=O)[O-])cc3)nc2=O)[C@H](O)[C@@H]1O	84670407	NAABUIPVIDDHEU-UBPLGANQSA-N	410.314	0.541	50	1	HCGF	
CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26375819	VUXIUSIBIPDYSR-OCHHPJKSSA-N	424.991	0.390	50	1	HCGF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	169331869	YJWDODRMMPONGJ-GCASMJRESA-N	412.822	0.731	50	1	HCGF	
COC(=O)/C=C1\[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O	195480897	PTJIYYNOAIUMBK-MYNFKVGTSA-N	412.515	0.916	50	1	HCGF	
OC[C@H]1O[C@@H](OO[C@@H]2C=C(c3ccccc3)Oc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O	2356331187	YDVUPJQQUBNDSO-YQPXSLGVSA-N	402.399	0.909	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O	1575824	DPXKPKOKTUWXPA-SNPRPXQTSA-N	407.810	0.554	50	1	HCGF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H](C)O)cc1	586939805	XDGOPRIAHQLSJH-QFYYESIMSA-N	419.463	0.575	50	1	HCGF	
CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCCCl)=C(C)C1=O)[C@@H]2COC(N)=O	169369441	ZCNBUMKGRPKSRE-SOEFQARXSA-N	411.842	0.036	50	1	HCGF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@@H]1[C@@H](O)[C@@]3(O)OO2	2356478346	ANEUKYPPHAYUKL-WZNXZHIJSA-N	408.447	0.632	50	1	HCGF	
O=C(O)[C@@H]1CN(C(=S)SSC(=S)N2CCO[C@H](C(=O)O)C2)CCO1	1772584411	LAATYSNUDSYNEL-YUMQZZPRSA-N	412.536	0.508	50	1	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1	26293203	PBNTZYCTNYCRCI-SYLSQCHPSA-N	410.964	0.047	50	1	HCGF	
Cc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)O[C@H]3O)CCCCC2)c1	36092958	DHFMYIAYFNTKBH-WMLDXEAASA-N	403.435	0.457	50	1	HCGF	
CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N(C)C1	8551993	KDLRVYVGXIQJDK-LSPDIVKYSA-N	424.991	0.390	50	1	HCGF	
CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)C(C#N)=C(N)N2C1	653689410	IRGOUNOQCFYPKQ-GOSISDBHSA-N	411.378	0.869	50	1	HCGF	
CCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1	100493418	POHQJQLMIXVUAH-XDJHFCHBSA-N	412.402	0.475	50	3	HCGF	
NNC(=O)[C@@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)SCCS2	103249751	YNWORMHDVSJLIM-NSHDSACASA-N	404.495	0.524	50	1	HCGF	
C=C1C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl	2356571301	NTJXRKLCTXJGGS-UQSYLFMPSA-N	412.866	0.861	50	1	HCGF	
C=C1C[C@H](OC(=O)/C(=C/C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl	13386723	NTJXRKLCTXJGGS-XJDQSTAGSA-N	412.866	0.861	50	1	HCGF	
O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3ccc4ccccc4c3)CCC2)[C@@H](O)O1	36092961	DTTAJUUHYNZZIM-YJBOKZPZSA-N	411.414	0.521	50	1	HCGF	
CCOC(=O)[C@@H]1CC(=NNC(=O)CCn2ccc(=N)nc2O)C[C@H]1C(=O)OCC	653795191	ZMZUURSFNMZQMH-CHWSQXEVSA-N	407.427	0.083	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1	26375759	CAHMTVMUKPEODP-SSICWKJHSA-N	418.943	0.930	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N1	253809466	ZVNFZNNECIXYJZ-CVEPJAGNSA-N	410.964	0.190	50	1	HCGF	
CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]2CCC(C)C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	29048509	OCNIGBIKASAIRC-BJRPGJRBSA-N	424.991	0.293	50	1	HCGF	
COCCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1B(O)O	962920978	NNEGRGZGSXJKEV-QFBILLFUSA-N	403.215	0.609	50	1	HCGF	
Nn1c(Cc2cccs2)nn(CC(=O)NNC(=S)Nc2ccc(F)cc2)c1=O	299829725	MGBQJQNHKDMFQI-UHFFFAOYSA-N	421.483	0.568	50	1	HCGF	
COc1nc(NNC(=O)c2ccncc2)nc(OC(=O)[C@@H](N)Cc2ccccc2)n1	1857648442	UORUNZNELKFFPB-AWEZNQCLSA-N	409.406	0.508	50	1	HCGF	
NNC(=O)C(=O)N/N=C1\CCC(=O)C[C@H]1C(=O)CCC(=O)Nc1ccc(Cl)cc1	18067171	NHMINUOBIIJFLW-DZOGZAPRSA-N	421.841	0.459	50	1	HCGF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	17123299	YJWDODRMMPONGJ-PWDSHUSXSA-N	412.822	0.731	50	1	HCGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O	17127438	DPXKPKOKTUWXPA-YUELXQCFSA-N	407.810	0.554	50	1	HCGF	
COC(=O)/C=C1/[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C	195774742	PTJIYYNOAIUMBK-JGQZFGDKSA-N	412.515	0.916	50	1	HCGF	
COc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)O[C@H]3O)CCCCC2)c1	36092974	WWJJTCYWVNPFIZ-WMLDXEAASA-N	419.434	0.157	50	1	HCGF	
CN1C(CCl)=N[C@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@H]21	44387038	NAMJPUYXAMNHRT-UKRRQHHQSA-N	421.240	0.862	50	1	HCGF	
CC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	17062086	SCJPIULIASRFNK-QSPSLONASA-N	423.806	0.458	50	1	HCGF	
CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1	299804726	VUXIUSIBIPDYSR-DVZNDHRKSA-N	424.991	0.390	50	1	HCGF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN	587864168	GBMMDLAWRSONEV-OLZOCXBDSA-N	402.329	0.320	50	1	HCGF	
CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O	254131925	IIZWKYHLPGMHCV-NAWOPXAZSA-N	409.823	0.741	50	1	HCGF	
Nc1c(C(=O)NNC(=S)NC[C@H]2CCCO2)nnn1Cc1ccc(Cl)cc1	957880322	CYHYIGGMNAXSHW-GFCCVEGCSA-N	409.903	0.850	50	1	HCGF	
CC1(C)C[N@@]1[P@](=O)(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)[N@@]1CC1(C)C	1857626752	VICBCLZTPWIZBW-SHTYDVMGSA-N	413.415	0.592	50	1	HCGF	
CC(=O)O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	5438866	SCJPIULIASRFNK-WBFOWJMUSA-N	423.806	0.458	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1	253699285	HZOSHLFQZJIYFX-QHBHCNNCSA-N	424.991	0.437	50	1	HCGF	
Cc1ccc(-c2nn(CC(=O)NNC(=S)Nc3ccc(F)cc3)c(=O)n2N)cc1	43074378	MVIJXVNNISXZLD-UHFFFAOYSA-N	415.454	0.891	50	1	HCGF	
Cc1cccc(C)c1C(=O)NNC(=O)C1(C(=O)N[C@H]2CC(=O)O[C@H]2O)CCCCC1	37865593	MXZKDHBBWMNOME-KBXCAEBGSA-N	417.462	0.765	50	1	HCGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587705319	MSAIMGPHBXXYMH-UTEYOHHZSA-N	412.683	0.846	50	1	HCGF	
O=C(NCC(=O)N1CCC[C@@H]1B(O)O)c1ccc(I)cc1	197877729	PLZVUODDFCETGR-LLVKDONJSA-N	401.997	0.024	50	1	HCGF	in-vivo
Cc1cn(C[C@H](I)CC(F)(F)P(=O)(O)O)c(=O)[nH]c1=O	84652980	JWERDBMQIOUBAT-ZCFIWIBFSA-N	424.078	0.809	50	1	HCGF	
C[C@@H]1[C@@H](C)[C@](O)(CCl)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23	238746938	UHJFDRHZOBLJTP-RYCCMMSXSA-N	403.859	0.475	50	1	HCGF	
CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NC(=O)C(=O)C(=O)O)c2)C(=O)OC1=O	169320127	LPYBQZBUGWWYAB-XFFZJAGNSA-N	402.315	0.449	50	1	HCGF	
CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1	299804729	VUXIUSIBIPDYSR-MYGIMSLVSA-N	424.991	0.390	50	1	HCGF	
OC[C@H]1O[C@H](OO[C@@H]2C=C(c3ccccc3)Oc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O	2356331186	YDVUPJQQUBNDSO-OXZADQLBSA-N	402.399	0.909	50	1	HCGF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@@H]1[C@H](O)[C@@]3(O)OO2	2356478345	ANEUKYPPHAYUKL-VILSIHABSA-N	408.447	0.632	50	1	HCGF	
O=C(NCC(=O)N1CCC[C@H]1B(O)O)c1ccc(I)cc1	197877722	PLZVUODDFCETGR-NSHDSACASA-N	401.997	0.024	50	1	HCGF	in-vivo
COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O	28816935	ADSYPQPXPUTJCH-UHFFFAOYSA-N	418.888	0.858	50	1	HCGF	
CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	253634303	QPSRXUNUCSVLGQ-FQUUOJAGSA-N	423.806	0.112	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H]3C[C@@H](CI)OC[C@@]3(CO)O2)c(=O)[nH]c1=O	29480991	VMXAGSNIORZGTL-AYGWYOGXSA-N	422.219	0.335	50	1	HCGF	
CCc1ccnc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1	26285881	JWSWLDIIEXOQIH-OXGDSDLXSA-N	404.916	0.540	50	1	HCGF	
[N-]=[N+]=N[C@H](c1cn([C@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O)[C@@H](Cl)Br	195515165	OICPZMOAZDBOLS-OFPUPOEVSA-N	410.612	0.489	50	1	HCGF	
CC(=O)OC[C@H]1O[C@@H](n2nc(CCl)cc2C(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	169320780	KGWYTUXPXXMEMT-IXYNUQLISA-N	417.802	0.045	50	1	HCGF	
CCCCC[C@H]1CN[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	29048518	JPOPDFDIUYRCJS-BJRPGJRBSA-N	424.991	0.437	50	1	HCGF	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COS(N)(=O)=O	170069626	CTVYQQGPTAJPJX-DMDPSCGWSA-N	421.548	0.435	50	1	HCGF	
C[C@@H]1C[C@@H](OC(=O)[C@](C)(O)CCl)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2	2356630799	DTIJDDLXFGMDID-SZFSNMSLSA-N	416.854	0.915	50	1	HCGF	
CN(C)CCc1c(C(=O)NN)[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12	13557177	KWRUZYDJGOFDQM-UHFFFAOYSA-N	400.483	0.748	50	1	HCGF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OO2	2356478343	ANEUKYPPHAYUKL-FSFGAMNNSA-N	408.447	0.632	50	1	HCGF	
O=[N+]([O-])c1cc(OC(F)(F)F)ccc1S(=O)(=O)Nc1cccc(B(O)O)c1	169879857	RWUAKQIWWBISKJ-UHFFFAOYSA-N	406.103	0.974	50	1	HCGF	
N#Cc1ccc(NC(=O)NNC(=O)[C@H]2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	1772649062	OUHNQKPAGBSEAR-CQSZACIVSA-N	406.358	0.610	50	1	HCGF	
CC(=O)O[C@]12C[C@H](C)[C@]3(O)[C@H]([C@H](OO)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@H]34)[C@@H]1C2(C)C	2356447097	LMGQTTQPXZITLA-SMVVLHTPSA-N	422.474	0.998	50	1	HCGF	
CCOC(=O)[C@@H]1CC(=NNC(=O)CCn2cc(C)c(O)nc2=O)C[C@H]1C(=O)OCC	653791981	VEMPCIMWKWWOQT-ZIAGYGMSSA-N	422.438	0.272	50	1	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)NC1	253665541	PBNTZYCTNYCRCI-IPAVCLOWSA-N	410.964	0.047	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)/C(C=O)=C/CC[C@]1(CO1)[C@@H]2O	169360163	GWFFTSIOEFGXBV-RCDUHTQJSA-N	422.430	0.633	50	1	HCGF	
CCc1ccnc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1	26285887	JWSWLDIIEXOQIH-RSOYSDILSA-N	404.916	0.540	50	1	HCGF	
Cc1cn([C@H]2C[C@H]3C[C@@H](CI)OC[C@@]3(CO)O2)c(=O)[nH]c1=O	29480999	VMXAGSNIORZGTL-FBKDDSFISA-N	422.219	0.335	50	1	HCGF	
CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)n1	253654221	ZQAGMAHLJWGQHW-QZYBLNJHSA-N	404.916	0.540	50	1	HCGF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CCC[C@](C)(COC(C)=O)[C@H]1[C@@H](O)[C@@]3(O)OO2	2356478344	ANEUKYPPHAYUKL-SHHJHFNPSA-N	408.447	0.632	50	1	HCGF	
O=C1c2[nH]cc3c2C2=C4[C@@H]1NCC[C@]41C=C[C@H](O)[C@@](O)([C@@H]1Br)N2CC3	2356307108	XKNSBLYUMSEHSJ-GEYJWORLSA-N	404.264	0.525	50	1	HCGF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	169331870	YJWDODRMMPONGJ-QDBAFKKHSA-N	412.822	0.731	50	1	HCGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4[C@H]4S[C@H]54)ncnc32)[C@@H]1O	101142208	WXZHKNSVIRRPQH-LCULJOSOSA-N	409.899	0.989	50	1	HCGF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl	963234275	UNGQHPUNUQZSSR-ZQUVKOLYSA-N	407.209	0.965	50	1	HCGF	
[N-]=[N+]=N[C@H](c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)[C@@H](Cl)Br	195515167	OICPZMOAZDBOLS-XDQCBXAXSA-N	410.612	0.489	50	1	HCGF	
O=C(N/N=C/C1CCCCC1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	299831455	ZEOSOJYIHVOILE-CGRBCIRLSA-N	408.451	0.161	50	1	HCGF	
CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	66147865	GPBQGDFLPPHWKS-ZCWALIGHSA-N	423.466	0.020	50	1	HCGF	
CN(CC(=O)O)NC(=O)C[C@H](N)Cc1csc(CCNC(=O)OC(C)(C)C)n1	26840058	BJCYIUFNJBZZJG-LLVKDONJSA-N	415.516	0.518	50	1	HCGF	
C[C@@H]1C[C@@H](OC(=O)[C@@](C)(O)CCl)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2	2356630796	DTIJDDLXFGMDID-GGKJFOICSA-N	416.854	0.915	50	1	HCGF	
O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3cccc4ccccc34)CCC2)[C@@H](O)O1	36092959	BFIRSNDOLOQSCL-YJBOKZPZSA-N	411.414	0.521	50	1	HCGF	
NNC(=O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	1857646442	YPSMNNWTTSTETQ-UHFFFAOYSA-N	403.414	0.286	50	1	HCGF	
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)O[C@@H]1C	299810325	SCJPIULIASRFNK-NJHYNOGISA-N	423.806	0.458	50	1	HCGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4[C@@H]4S[C@@H]54)ncnc32)[C@@H]1O	101142222	WXZHKNSVIRRPQH-FGPSIRHKSA-N	409.899	0.989	50	1	HCGF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@H](C(=O)NN)N1CCOCC1	587872448	NGGHDJOUNBLDLT-MRXNPFEDSA-N	405.430	0.809	50	1	HCGF	
O=C(CSc1nnc(O)[nH]c1=O)NNC(=O)c1cccc2nc3ccccc3nc12	5801234	SKWVPBBTBXDBEC-UHFFFAOYSA-N	423.414	0.520	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H]3C[C@H](CI)OC[C@]3(CO)O2)c(=O)[nH]c1=O	40374765	VMXAGSNIORZGTL-MIJXAVMKSA-N	422.219	0.335	50	1	HCGF	
CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1N1CCCC1	1501210	WLLUQXGGNFUQGM-RGVLZGJSSA-N	411.426	0.995	50	1	HCGF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN	587864170	GBMMDLAWRSONEV-STQMWFEESA-N	402.329	0.320	50	1	HCGF	
[N-]=[N+]=N[C@H](c1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O)[C@H](Cl)Br	105506951	OICPZMOAZDBOLS-XRBOHMRVSA-N	410.612	0.489	50	1	HCGF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC(=O)NN)N1CCOCC1	587871646	ARHSOZIXTCMXEJ-MRXNPFEDSA-N	405.430	0.809	50	1	HCGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587704246	IYIWENOCTSTVFG-DKNDCTJZSA-N	412.683	0.846	50	1	HCGF	
Cc1ccccc1-n1c(C)nc2c(OCC(=O)NNC(=S)NN)cccc2c1=O	73239832	ZEBSWUIYOUORDF-UHFFFAOYSA-N	412.475	0.750	50	1	HCGF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2	100948695	GOYWFONAFPWGMK-JJXIHBJYSA-N	416.854	0.315	50	1	HCGF	
NNC(=O)c1[nH]nc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587880475	NFXPSTRNUOTMNO-UHFFFAOYSA-N	411.205	0.939	50	1	HCGF	
Cc1ccc(S(=O)(=O)N(CCCl)N(S(C)(=O)=O)S(C)(=O)=O)cc1	26295662	PLUKWIGAWZHILE-UHFFFAOYSA-N	404.919	0.361	50	1	HCGF	
CN(C)CCn1c(=O)c2ccc3c(=O)n(CCN=C=S)c(=O)c4ccc(c1=O)c2c34	73224911	DFLLESXVHVLXDP-UHFFFAOYSA-N	422.466	0.730	50	1	HCGF	
O=C(CNc1cccc(C(=O)NCCN2CCOCC2)c1)N/N=C/c1ccncc1	201287187	UMDVBDLUZLCYGS-MFKUBSTISA-N	410.478	0.706	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)B(O)O	195099464	AYMHFGFFCJQPHO-RDJZCZTQSA-N	402.235	0.500	50	1	HCGF	
C=C1C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl	2356571302	NTJXRKLCTXJGGS-WNTNUOBASA-N	412.866	0.861	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CCC(=O)CI)O2)c(=O)[nH]c1=O	40511664	FOSBITWDJIERJS-VWYCJHECSA-N	408.192	0.278	50	1	HCGF	
[N-]=[N+]=N[C@H](c1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)[C@@H](Cl)Br	195515170	OICPZMOAZDBOLS-KVEIKIFDSA-N	410.612	0.489	50	1	HCGF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl	963234251	UNGQHPUNUQZSSR-NNDWQROWSA-N	407.209	0.965	50	1	HCGF	
C[C@H]1[C@@H]2CC[C@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](N1CCS(=O)(=O)CC1)O[C@@H]4O3	102825222	WQVFGNHFXQRKSQ-KDAOWOHASA-N	417.524	0.896	50	1	HCGF	
O=C1c2[nH]cc3c2C2=C4[C@@H]1NCC[C@]41C=C[C@@H](O)[C@@](O)([C@@H]1Br)N2CC3	2356307109	XKNSBLYUMSEHSJ-MEJMKMBISA-N	404.264	0.525	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[C@@H](C(=C)C=O)[C@]2(C)[C@H]1CO1	238776980	UUASDOALLGVGAV-RPCDHGCSSA-N	422.430	0.489	50	1	HCGF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NNc1ccccc1)C(C)C	64649452	TWGBNWCYWVHHSH-SZMVWBNQSA-N	420.558	0.492	50	1	HCGF	
C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCC[C@]2(CO2)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]12	2356773744	HNYQTNZEHNKADL-UVIDDBMMSA-N	420.414	0.553	50	1	HCGF	
C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C=O)=C\CC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12	13585325	HNYQTNZEHNKADL-HTDMLTELSA-N	420.414	0.553	50	1	HCGF	biogenic
CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1	13612901	GZLBYEAKTVNBMZ-UHFFFAOYSA-N	406.420	0.977	50	1	HCGF	
CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	5438861	SCJPIULIASRFNK-ZJLMQMBBSA-N	423.806	0.458	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1	26376061	HZOSHLFQZJIYFX-HXSHORHQSA-N	424.991	0.437	50	1	HCGF	
CCc1ccc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)nc1	26292853	SULFTSQLZCQTMK-OXGDSDLXSA-N	404.916	0.540	50	1	HCGF	
CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl)N(C(C)=O)C1	26296996	PMIKTFZBNLTXPJ-ILXRZTDVSA-N	417.938	0.139	50	1	HCGF	
CN(CCBr)[P@@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O	299847169	UKCYVJPTSGXRES-GWNMQOMSSA-N	411.211	0.935	50	1	HCGF	
N=c1[nH]c(C(=O)N/N=C/c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1	1857602158	DAHUUVUKXLICQH-AWQFTUOYSA-N	419.854	0.745	50	1	HCGF	
CN(C)C(=O)c1ccc(OC2CCN(C(=O)Cc3ccccc3B(O)O)CC2)nc1	1772570571	SFPKXCDZSAEQNQ-UHFFFAOYSA-N	411.267	0.076	50	1	HCGF	
COc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OC)cc2OC)c1	5514750	UAOKDPBCNMGTLF-UHFFFAOYSA-N	403.391	0.877	50	3	HCGF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl	2356579130	QYDZDLCERJLVOK-WNTNUOBASA-N	412.866	0.861	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1	26296099	ZVNFZNNECIXYJZ-OPPFSVJDSA-N	410.964	0.190	50	1	HCGF	
C[C@@H]1O[C@@H](O[C@@H]2C=C(C=O)[C@](O)(C=O)[C@@]3(C)CCCC(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O	238778937	PQPWHYRSGSSKQJ-NHIQQISPSA-N	412.479	0.101	50	1	HCGF	
O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3ccc4ccccc4c3)CCC2)[C@H](O)O1	36092962	DTTAJUUHYNZZIM-MAUKXSAKSA-N	411.414	0.521	50	1	HCGF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@@]3(NC(=O)CBr)[C@@H]1C5	100708255	WPEIOODEGJJMDJ-KVYJEULVSA-N	421.291	0.832	50	1	HCGF	
C[C@@H]1C[C@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@]1(C)O)[C@@]23O	238755539	XYDBXANJRPDAES-OPWAKSKDSA-N	418.894	0.070	50	1	HCGF	
C=C1C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CCl	2356571303	NTJXRKLCTXJGGS-YLRNSDIYSA-N	412.866	0.861	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@H]21	2356563420	CAFZWQATQRNADA-IFBNNOTLSA-N	412.866	0.861	50	1	HCGF	
CCC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N(C)C1	8035317	KDLRVYVGXIQJDK-DZIVBEMOSA-N	424.991	0.390	50	1	HCGF	
CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)nc1	253707067	SULFTSQLZCQTMK-LKAIBLKYSA-N	404.916	0.540	50	1	HCGF	
CC1(C)C[N@@]1P(=O)(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)[N@]1CC1(C)C	1857626751	VICBCLZTPWIZBW-KILOBEEHSA-N	413.415	0.592	50	1	HCGF	
COc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cnccn2)cc1	195279814	GWXQPHHVNWARCP-AEFFLSMTSA-N	414.271	0.889	50	1	HCGF	
CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1	299804725	VUXIUSIBIPDYSR-BQDOHGGYSA-N	424.991	0.390	50	1	HCGF	
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)C(N)=O)cccc2-3)cc1	14945686	OHWPDVAULRWCCH-UHFFFAOYSA-N	420.385	0.935	50	1	HCGF	
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@@]3(NC(=O)CBr)[C@H]1C5	29467190	WPEIOODEGJJMDJ-LOJOQKOYSA-N	421.291	0.832	50	1	HCGF	
CC(C)[C@@H]1C(=O)N(C)[C@H](C)C(=O)NCCC[C@@H](NC(=O)C=CC=CC=O)C(=O)N1C	2356450186	KPPYRCDQUDIYQD-JFIYKMOQSA-N	420.510	0.022	50	1	HCGF	
CCOC1=C/C(=C\NNC(=O)C(=O)NN/C=C2\C=CC(=O)C(OCC)=C2)C=CC1=O	8615596	ZRGMYLHCIIJBIG-HEEUSZRZSA-N	414.418	0.114	50	3	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)N1	253809465	ZVNFZNNECIXYJZ-CTLCQSESSA-N	410.964	0.190	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1	26375568	ZVNFZNNECIXYJZ-HEPTYLOYSA-N	410.964	0.190	50	1	HCGF	
CCCCCCCCC[C@H](N)C(=O)N[C@@H](CCN)CC(=O)NN(C)CC(=O)O	1857569253	KJPIVYMUTKWAHR-HOTGVXAUSA-N	401.552	0.726	50	1	HCGF	
CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)C(C#N)=C(N)N2C1	653689411	IRGOUNOQCFYPKQ-SFHVURJKSA-N	411.378	0.869	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1	26375565	ZVNFZNNECIXYJZ-DLKOFCQYSA-N	410.964	0.190	50	1	HCGF	
C=C(CCC=C(C)C=O)CCO[C@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O	2356690314	SPUFLMMXZLACMX-RMMWZPCPSA-N	414.451	0.816	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)ccn1)[C@@H](C)O)B(O)O	195247048	RQIYSPZZAAQNSU-CCKFTAQKSA-N	413.283	0.771	50	1	HCGF	
CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12	254042454	GPBQGDFLPPHWKS-LZSRRXHQSA-N	423.466	0.020	50	1	HCGF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2[C@@H](O)[C@]2(CCC=C(C=O)[C@H]1OC(C)=O)CO2	2356773743	HNYQTNZEHNKADL-MBPYKEKKSA-N	420.414	0.553	50	1	HCGF	
O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1ccnc(CCl)n1	587941588	WMZSXPZWNYWRHE-UHFFFAOYSA-N	419.781	0.892	50	1	HCGF	
CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34C[C@@H](Br)[C@H](O)[C@]23[C@]12[C@H](O)C(=O)O[C@H]2O4	28265552	ATLYCLODPLWYQA-FPVPJWQWSA-N	417.252	0.492	50	1	HCGF	
O=C1N[C@H](c2ccccc2)CC(=O)N2C[C@H](Cl)[C@H](Cl)[C@H]2C(=O)N[C@H]1CO	2356549015	OCYVXRLSHHMJIN-YLXLXVFQSA-N	400.262	0.150	50	1	HCGF	
C[C@@H]1C[C@H](OC(=O)[C@](C)(O)CCl)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2	2356630797	DTIJDDLXFGMDID-HSGSOPPXSA-N	416.854	0.915	50	1	HCGF	
CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34C[C@@H](Br)[C@H](O)[C@@]23[C@]12[C@H](O)C(=O)O[C@H]2O4	100773320	ATLYCLODPLWYQA-XPGKHXBOSA-N	417.252	0.492	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)c1	253632786	CAHMTVMUKPEODP-ZSWRHAFZSA-N	418.943	0.930	50	1	HCGF	
O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O	145593442	JCRFJRLYCSSNON-UHFFFAOYSA-N	400.439	0.612	50	1	HCGF	
CN(CCBr)[P@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O	169319574	UKCYVJPTSGXRES-YBYGRFCBSA-N	411.211	0.935	50	1	HCGF	
COC(=O)c1cc(NC(=O)CI)cc(C(=O)NC(N)=O)c1	40429967	DBNIMJUXAZNWNO-UHFFFAOYSA-N	405.148	0.655	50	1	HCGF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2[C@@H](O)[C@]2(CCC=C(C=O)[C@H]1OC(C)=O)CO2	2356773745	HNYQTNZEHNKADL-WPJCTDPYSA-N	420.414	0.553	50	1	HCGF	
Cc1ccc2c(c1)C(=NNC(=O)C(=O)NN=C1C(=O)Nc3ccc(C)cc31)C(=O)N2	653692761	HVSXJGVWIQPFGB-UHFFFAOYSA-N	404.386	0.548	50	1	HCGF	
Cc1c(C(=O)NNC(N)=S)[nH]c(/C=C/c2ccccc2)c1C(=O)NNC(N)=S	103223677	RGOPXUSFRLHDNJ-BQYQJAHWSA-N	417.520	0.450	50	1	HCGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO	587546467	KALKDVQUYQZYHY-FWPABCSZSA-N	410.806	0.405	50	1	HCGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4[C@@H]4S[C@H]54)ncnc32)[C@@H]1O	101142214	WXZHKNSVIRRPQH-XEHSPLSMSA-N	409.899	0.989	50	1	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1	26293198	PBNTZYCTNYCRCI-ILQVPSHWSA-N	410.964	0.047	50	1	HCGF	
Cc1cn([C@H]2C[C@@H]3C[C@@H](CI)OC[C@@]3(CO)O2)c(=O)[nH]c1=O	29480994	VMXAGSNIORZGTL-KZWBYHQPSA-N	422.219	0.335	50	1	HCGF	
Cn1cc(NC(=O)c2cc(NC(=O)CCl)cn2C)cc1C(=O)NCCC(=N)N	27093122	HAVZXIBUEAVREA-UHFFFAOYSA-N	407.862	0.849	50	1	HCGF	
O=C(CO[N+](=O)[O-])NNC(=O)c1ccc(-n2nc(O)cc2-c2ccccc2O)cc1	48999335	QLVVYIPFMLMMJU-UHFFFAOYSA-N	413.346	0.920	50	1	HCGF	
CN1C(CCl)=N[C@@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@@H]21	101577417	NAMJPUYXAMNHRT-ZFWWWQNUSA-N	421.240	0.862	50	1	HCGF	
CCc1cccc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)n1	26376368	ZQAGMAHLJWGQHW-OXGDSDLXSA-N	404.916	0.540	50	1	HCGF	
COC(=O)/C=C1\[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	195480893	PTJIYYNOAIUMBK-CWCXBNICSA-N	412.515	0.916	50	1	HCGF	
CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	253634305	QPSRXUNUCSVLGQ-XDQVBPFNSA-N	423.806	0.112	50	1	HCGF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)B(O)O)c1cnccn1	584904899	ILENEQWIGPQYCQ-ICSRJNTNSA-N	418.262	0.557	50	1	HCGF	in-vitro
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO	587546485	KALKDVQUYQZYHY-LSVHUWDFSA-N	410.806	0.405	50	1	HCGF	
CC1(C)C[N@]1P(=O)(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)[N@@]1CC1(C)C	1857626750	VICBCLZTPWIZBW-DZCZOQEISA-N	413.415	0.592	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[C@@H](C(=C)C=O)[C@]2(C)[C@@H]1CO1	238743028	UUASDOALLGVGAV-YDWYPSKXSA-N	422.430	0.489	50	1	HCGF	
CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12	18156756	GPBQGDFLPPHWKS-KCTOFKCNSA-N	423.466	0.020	50	1	HCGF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CCC(=O)CI)O2)c(=O)[nH]c1=O	27737722	FOSBITWDJIERJS-GMTAPVOTSA-N	408.192	0.278	50	1	HCGF	
CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	5438864	SCJPIULIASRFNK-AVWBOGIMSA-N	423.806	0.458	50	1	HCGF	
O=NN(CCCl)C(=O)NCC[C@H](SCC(=O)O)n1cc(F)c(=O)[nH]c1=O	29207989	DNAHPDZHSFNNRU-QMMMGPOBSA-N	411.799	0.314	50	1	HCGF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@H]1N[C@H]12	58577355	ZCNBUMKGRPKSRE-GGOTUNQTSA-N	411.842	0.036	50	1	HCGF	
CCOC(=O)[C@H]1CC(=NNC(=O)CCn2ccc(=N)nc2O)C[C@H]1C(=O)OCC	653795857	ZMZUURSFNMZQMH-BETUJISGSA-N	407.427	0.083	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1C=C[C@](C)(O)[C@@H]21	2356534280	IXLMITLRFJSJRS-MQQMMGPCSA-N	412.866	0.861	50	1	HCGF	
[BH3-][P+]1(CC[P@@+]([BH3-])(c2ccccc2)c2ccccc2OC)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1C	299847577	DLNIQWPQJOPMDC-IFYDQCNNSA-N	418.072	0.754	50	1	HCGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCS(=O)(=O)CC3)O[C@@H]3O[C@]4(C)C[C@H](O)[C@@H]1[C@@]23OO4	102824745	FYMYTDSZTBRCGD-RWUPEWPWSA-N	417.524	0.896	50	1	HCGF	
COC(=O)/C=C1\[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](n2ccc(=O)[nH]c2=O)[C@@H]1O	195480886	PTJIYYNOAIUMBK-FHZUDEEXSA-N	412.515	0.916	50	1	HCGF	
CCC[C@H]1CN[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	40940157	HDBHHHCDEYATPY-AVXYAQEDSA-N	410.964	0.047	50	1	HCGF	
C[C@@](O)(CBr)CCO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	13491779	CGEAZNNPQRVBJM-YFKPBYRVSA-N	422.982	0.866	50	1	HCGF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl	2356579129	QYDZDLCERJLVOK-UQSYLFMPSA-N	412.866	0.861	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1	26296090	ZVNFZNNECIXYJZ-ILQVPSHWSA-N	410.964	0.190	50	1	HCGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CCC(=O)CI)O2)c(=O)[nH]c1=O	40511662	FOSBITWDJIERJS-DCAQKATOSA-N	408.192	0.278	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N1	254058117	ZVNFZNNECIXYJZ-WDOALSMWSA-N	410.964	0.190	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)/C(C=O)=C\CC[C@@]1(CO1)[C@@H]2O	28468370	GWFFTSIOEFGXBV-HTDMLTELSA-N	422.430	0.633	50	1	HCGF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H](C)O)cc1	586939806	XDGOPRIAHQLSJH-QLJPJBMISA-N	419.463	0.575	50	1	HCGF	
C=C(CCC=C(C)C=O)CCO[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O	2356690315	SPUFLMMXZLACMX-UJMXGEILSA-N	414.451	0.816	50	1	HCGF	
CO[C@@H]1O[C@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	5810564	IIZWKYHLPGMHCV-PJSNJIKXSA-N	409.823	0.741	50	1	HCGF	
CCc1cccc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)n1	26376370	ZQAGMAHLJWGQHW-RSOYSDILSA-N	404.916	0.540	50	1	HCGF	
Nn1c(Cc2cccs2)nn(CC(=O)NNC(=S)Nc2ccccc2)c1=O	299828439	JJPIEOKKQJCARV-UHFFFAOYSA-N	403.493	0.429	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1	26290641	HZOSHLFQZJIYFX-JLGPMRPQSA-N	424.991	0.437	50	1	HCGF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN	587857880	BRAATIVNBJAXOT-OLZOCXBDSA-N	403.222	0.608	50	1	HCGF	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccccn3)CC2)cc1	36373568	DAKABXDGJPAEFM-KGENOOAVSA-N	401.492	0.847	50	1	HCGF	
O=C1N[C@H](c2ccccc2)CC(=O)N2C[C@H](Cl)[C@H](Cl)[C@@H]2C(=O)N[C@H]1CO	2356549016	OCYVXRLSHHMJIN-ZCRGAIPPSA-N	400.262	0.150	50	1	HCGF	
CCc1ccc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)nc1	26292864	SULFTSQLZCQTMK-UPGKCDBUSA-N	404.916	0.540	50	1	HCGF	
NC(N)=NCCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1	28769778	BRZYOTMFHLERHD-BBWFWOEESA-N	422.961	0.325	50	1	HCGF	
CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12	169354419	GPBQGDFLPPHWKS-AWHBDLRNSA-N	423.466	0.020	50	1	HCGF	
O=C([C@H](O)c1ccccc1B(O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1	1772641059	RPAIJIZXSLTFHR-QGZVFWFLSA-N	424.184	0.884	50	1	HCGF	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccncc3)CC2)cc1	36373570	FIEBCAJFKJTCRR-KGENOOAVSA-N	401.492	0.847	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1	26296084	ZVNFZNNECIXYJZ-LFNSDFOFSA-N	410.964	0.190	50	1	HCGF	
CCC(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)CC	147004735	GQKLOEXSVNMCOY-HLPPOEQASA-N	405.810	0.945	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26290635	HZOSHLFQZJIYFX-CHWYXPOISA-N	424.991	0.437	50	1	HCGF	
CN1CCN(C(=O)c2ccc3c(c2)/C(=N/NC(=O)Cc2ccc(O)cc2)C(=O)N3)CC1	72180906	URZJGFBNPGEJIP-UHFFFAOYSA-N	421.457	0.795	50	1	HCGF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2	100948698	GOYWFONAFPWGMK-OIIWUFMXSA-N	416.854	0.315	50	1	HCGF	
O=C([C@@H](O)c1ccccc1B(O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1	1772641058	RPAIJIZXSLTFHR-KRWDZBQOSA-N	424.184	0.884	50	1	HCGF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	27656068	GOYWFONAFPWGMK-POLIMDQXSA-N	416.854	0.315	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26376059	HZOSHLFQZJIYFX-XQNQEUKXSA-N	424.991	0.437	50	1	HCGF	
Cc1cn([C@H]2C[C@H](O)[C@@H](C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O	17127444	DPXKPKOKTUWXPA-CFVMTHIKSA-N	407.810	0.554	50	1	HCGF	
CO[C@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	17212064	IIZWKYHLPGMHCV-MOLYVOAJSA-N	409.823	0.741	50	1	HCGF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	169331990	GOYWFONAFPWGMK-GTJXRVHQSA-N	416.854	0.315	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1	299810117	HZOSHLFQZJIYFX-MYGIMSLVSA-N	424.991	0.437	50	1	HCGF	
CC[C@@H]1CCN(C)[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26376431	VUXIUSIBIPDYSR-CHWYXPOISA-N	424.991	0.390	50	1	HCGF	
CCC[C@H]1C[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N(C)C1	8551994	KDLRVYVGXIQJDK-COLPQBOLSA-N	424.991	0.390	50	1	HCGF	
CC(C)[C@@H]1C(=O)N(C)[C@H](C)C(=O)NCCC[C@H](NC(=O)C=CC=CC=O)C(=O)N1C	2356450188	KPPYRCDQUDIYQD-SOLBZPMBSA-N	420.510	0.022	50	1	HCGF	
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C[C@H](O)CCl	40407149	WWOJLWFIFRTCON-NWDGAFQWSA-N	416.883	0.615	50	1	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1	26293208	PBNTZYCTNYCRCI-OPPFSVJDSA-N	410.964	0.047	50	1	HCGF	
CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12	169354418	GPBQGDFLPPHWKS-IZNNUJKSSA-N	423.466	0.020	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1	253699276	HZOSHLFQZJIYFX-DVZNDHRKSA-N	424.991	0.437	50	1	HCGF	
O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=NNC(=O)c1ccccc1	1857771489	HJLABLAGBOSNKH-UHFFFAOYSA-N	414.443	0.794	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1	26292087	PBNTZYCTNYCRCI-UGURTAOASA-N	410.964	0.047	50	1	HCGF	
CN1CC[C@@]2(O)[C@@H]1[C@@H]1c3cc4c(cc3C(=O)O[C@@H]1[C@@H](O)[C@H]2Br)OCO4	96909159	RDRPGIPMWSPXAR-HLUFSKSISA-N	412.236	0.611	50	1	HCGF	
C[C@](O)(CBr)CCO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	13491780	CGEAZNNPQRVBJM-RXMQYKEDSA-N	422.982	0.866	50	1	HCGF	
O=C(N/N=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=N/NC(=O)c1ccncc1)c1ccncc1	1857612779	NQQLVUQKMJXKJR-MUSPZTJMSA-N	410.434	0.356	50	1	HCGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587705320	MSAIMGPHBXXYMH-WCAMBDOHSA-N	412.683	0.846	50	1	HCGF	
CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	195441454	GPBQGDFLPPHWKS-WSPVTARESA-N	423.466	0.020	50	1	HCGF	
COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	299834390	XLWRSEWDCQYEBB-UHFFFAOYSA-N	400.438	0.358	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1C=C[C@@](C)(O)[C@@H]21	2356534279	IXLMITLRFJSJRS-MKFHVVEZSA-N	412.866	0.861	50	1	HCGF	
CN1C(CCl)=N[C@@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@H]21	101577411	NAMJPUYXAMNHRT-DZGCQCFKSA-N	421.240	0.862	50	1	HCGF	
C[C@@H]1[C@@H](C)[C@](O)(CCl)C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23	238743657	UHJFDRHZOBLJTP-MPLAGVBMSA-N	403.859	0.475	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1	26376062	HZOSHLFQZJIYFX-FQDIRVOPSA-N	424.991	0.437	50	1	HCGF	
O=C(Cc1cccs1)N[C@@H](Cn1cc(-c2cccc(C(=O)O)c2)nn1)B(O)O	205341683	WHXOLIBPKXZPTN-HNNXBMFYSA-N	400.225	0.444	50	1	HCGF	
CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	254042450	GPBQGDFLPPHWKS-LPNOPGGHSA-N	423.466	0.020	50	1	HCGF	
C=C1C[C@H](OC(=O)[C@@H](C)C(=O)O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl	13386704	KCCZVNWVTKPUHZ-IKYBHFBFSA-N	414.838	0.644	50	1	HCGF	
CCC[C@@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1	504115974	HDBHHHCDEYATPY-CVEPJAGNSA-N	410.964	0.047	50	1	HCGF	biogenic
CN(CC(=O)O)NC(=O)C[C@H](N)c1csc(CCNC(=O)OC(C)(C)C)n1	26837333	FSCAILVCUKWCGZ-JTQLQIEISA-N	401.489	0.648	50	1	HCGF	
CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	17212061	IIZWKYHLPGMHCV-QNWJLWSRSA-N	409.823	0.741	50	1	HCGF	
OC[C@H]1O[C@@H](OO[C@H]2C=C(c3ccccc3)Oc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O	2356331189	YDVUPJQQUBNDSO-ZJKGHYPUSA-N	402.399	0.909	50	1	HCGF	
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)B(O)O	1857592069	BSJYBUMNSOUPOU-SOUVJXGZSA-N	413.324	0.680	50	1	HCGF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@@H]1N[C@H]12	169369442	ZCNBUMKGRPKSRE-ORRLFDBISA-N	411.842	0.036	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@H]21	2356563421	CAFZWQATQRNADA-JEGNEPSBSA-N	412.866	0.861	50	1	HCGF	
CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C1	44964069	HBJOXQRURQPDEX-YDFRZGAISA-N	410.964	0.047	50	1	HCGF	
N[C@H](CC[P@@](=O)(Oc1ccccc1)O[C@@H](CCl)C(=O)NCC(=O)O)C(=O)O	103233368	KWGNTXXARLNGIH-JHCVWZRZSA-N	422.758	0.885	50	1	HCGF	
CCc1ccc(C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)nc1	26292859	SULFTSQLZCQTMK-RSOYSDILSA-N	404.916	0.540	50	1	HCGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CCC(=O)CI)O2)c(=O)[nH]c1=O	27737729	FOSBITWDJIERJS-AXFHLTTASA-N	408.192	0.278	50	1	HCGF	
CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCCl)C3=O)N1C[C@@H]1[C@H]2N1C	101209108	BLCQFGQSVJSAOR-ALGHVMPJSA-N	410.858	0.401	50	1	HCGF	
Cc1ccc(S(=O)(=O)N2CCC([C@@](N)(CCCCB(O)O)C(=O)O)CC2)cc1	170188927	CSADLHWLKFKYNY-SFHVURJKSA-N	412.317	0.821	50	1	HCGF	
CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	169290132	QPSRXUNUCSVLGQ-IGQOVBAYSA-N	423.806	0.112	50	1	HCGF	
NC(=O)C(=O)NNC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(O)cc3)n[nH]c1-2	653698617	MEMAKQQENDHEAV-UHFFFAOYSA-N	406.358	0.632	50	1	HCGF	
CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@@]3(NC(=O)CBr)[C@@H]1C5	58563477	WPEIOODEGJJMDJ-WIOUJZMWSA-N	421.291	0.832	50	1	HCGF	
CC(=O)O[C@]12C[C@H](C)[C@]3(O)[C@H]([C@H](OO)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@H]34)[C@H]1C2(C)C	2356447095	LMGQTTQPXZITLA-RTACYCMJSA-N	422.474	0.998	50	1	HCGF	
N#C[C@@H](/C(=N/NC(=O)C(=O)NN)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1	5891377	UQHSDYKSAAWQDB-QIQUGCMDSA-N	422.489	0.841	50	1	HCGF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	169331988	GOYWFONAFPWGMK-WNSCJRKXSA-N	416.854	0.315	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26376057	HZOSHLFQZJIYFX-OCHHPJKSSA-N	424.991	0.437	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N1	254058116	ZVNFZNNECIXYJZ-RRGIJBDPSA-N	410.964	0.190	50	1	HCGF	
CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)n1	58644292	ZQAGMAHLJWGQHW-WOSJFKKMSA-N	404.916	0.540	50	1	HCGF	
CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)nc1	253707075	SULFTSQLZCQTMK-WOSJFKKMSA-N	404.916	0.540	50	1	HCGF	
Cc1nn(CC(=O)NNC(=S)Nc2ccccc2)c(=O)n1/N=C/c1ccncc1	103168474	RCOOPKBDCCUPTL-RGVLZGJSSA-N	410.463	0.648	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1	299810116	HZOSHLFQZJIYFX-KVBOSYRSSA-N	424.991	0.437	50	1	HCGF	
CCC[C@@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	504115975	HDBHHHCDEYATPY-DORDXSMJSA-N	410.964	0.047	50	1	HCGF	biogenic
COc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)O[C@@H]3O)CCCCC2)c1	36092973	WWJJTCYWVNPFIZ-YOEHRIQHSA-N	419.434	0.157	50	1	HCGF	
NNC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1	586941033	CCKXLKXVUYUJCZ-UHFFFAOYSA-N	403.420	0.416	50	1	HCGF	
CC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@@H]2S(=O)(=O)[C@@H]1Sc1nnnn1C	27323105	OWUKSKCWBWHCJW-QILRFPOHSA-N	419.916	0.722	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ncccc1-c1ccccc1)[C@@H](C)O)B(O)O	195097200	KLSAWSOOMFSBKR-JLSDUUJJSA-N	413.283	0.771	50	1	HCGF	
CCC[C@@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1	504115976	HDBHHHCDEYATPY-YVUJFGATSA-N	410.964	0.047	50	1	HCGF	biogenic
CC(=O)OC[C@@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253634307	QPSRXUNUCSVLGQ-XUXIUFHCSA-N	423.806	0.112	50	1	HCGF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN	587864159	GBMMDLAWRSONEV-CHWSQXEVSA-N	402.329	0.320	50	1	HCGF	
CCCC[C@H]1CN[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	29048598	ZTEWLMFCJAVOKT-XNHAQVEGSA-N	410.964	0.047	50	1	HCGF	
O=C(NN[C@H]1CCS(=O)(=O)C1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	150058321	RVKKCBQGKSPZQN-LBPRGKRZSA-N	416.450	0.747	50	1	HCGF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC(=O)NN)N1CCOCC1	587871641	ARHSOZIXTCMXEJ-INIZCTEOSA-N	405.430	0.809	50	1	HCGF	
CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@@]3(NC(=O)CBr)[C@@H]1C5	36215695	WPEIOODEGJJMDJ-IQCGBREGSA-N	421.291	0.832	50	1	HCGF	
CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34C[C@@H](Br)[C@H](O)[C@]23[C@@]12[C@H](O)C(=O)O[C@H]2O4	100773318	ATLYCLODPLWYQA-ZLJAOWKOSA-N	417.252	0.492	50	1	HCGF	
CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N(C)C1	8551996	KDLRVYVGXIQJDK-OCHHPJKSSA-N	424.991	0.390	50	1	HCGF	
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C[C@@H](O)CCl	40407152	WWOJLWFIFRTCON-RYUDHWBXSA-N	416.883	0.615	50	1	HCGF	
CCC[C@@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1	504115973	HDBHHHCDEYATPY-CTLCQSESSA-N	410.964	0.047	50	1	HCGF	biogenic
CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)Cl)C1	44964075	HBJOXQRURQPDEX-XTQQHKSVSA-N	410.964	0.047	50	1	HCGF	
C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C=O)=C/CC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12	169362346	HNYQTNZEHNKADL-KYHPCNMKSA-N	420.414	0.553	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1	26292076	PBNTZYCTNYCRCI-DLIAFKJFSA-N	410.964	0.047	50	1	HCGF	
C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCC[C@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]12	2356773742	HNYQTNZEHNKADL-CMORYLQASA-N	420.414	0.553	50	1	HCGF	
O=C(O)[C@@H]1Cc2cccc(F)c2C2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)N1	962925657	WUXFBLRIQXSZJE-KRWDZBQOSA-N	412.226	0.236	50	1	HCGF	
CCCn1c(=O)c2[nH]c(CCNC(=O)CBr)nc2n(CCC)c1=O	12405646	OEFKTFICMZQWRC-UHFFFAOYSA-N	400.277	0.760	50	1	HCGF	
C=C1C[C@H](OC(=O)/C(C)=C/CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl	13386711	QYDZDLCERJLVOK-LRJNHNEYSA-N	412.866	0.861	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cnc(-c2ccccc2)cn1)[C@@H](C)O)B(O)O	195119512	MQIANJOGERXZOL-BVGQSLNGSA-N	414.271	0.166	50	1	HCGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587704262	IYIWENOCTSTVFG-QQESMTCHSA-N	412.683	0.846	50	1	HCGF	
Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1I	27326102	SREVKAVMOMBISO-SUNGNLGOSA-N	411.587	0.116	50	1	HCGF	
CC(=O)O[C@H]1[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)O[C@H](C)[C@H]1OC(C)=O	169366883	SCJPIULIASRFNK-NXNTXSBFSA-N	423.806	0.458	50	1	HCGF	
CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H]([C@H](OO)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@H]43)[C@H]1C2(C)C	238763913	LMGQTTQPXZITLA-UVRZZRTGSA-N	422.474	0.998	50	1	HCGF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCCl)C3=O)N1C[C@@H]1[C@H]2N1C	101209106	BLCQFGQSVJSAOR-HGTWURDOSA-N	410.858	0.401	50	1	HCGF	
C=C(CC/C=C(\C)C=O)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O	34370162	SPUFLMMXZLACMX-BULRUFHISA-N	414.451	0.816	50	1	HCGF	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C	1857592068	BSJYBUMNSOUPOU-KKUMJFAQSA-N	413.324	0.680	50	1	HCGF	
Cc1cn(C[C@@H](I)CC(F)(F)P(=O)(O)O)c(=O)[nH]c1=O	84652981	JWERDBMQIOUBAT-LURJTMIESA-N	424.078	0.809	50	1	HCGF	
N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)CCCl)[C@@H](COC(=O)CCCl)O[C@H]12	169335399	ITGVOWWNECGCTR-HKSFMPNISA-N	406.222	0.734	50	1	HCGF	
CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Cc1ccccc1	170015640	YWKFVICYLBEIJR-FQEVSTJZSA-N	411.311	0.975	50	1	HCGF	
N#CCC(=O)N/N=C(/C(=O)Nc1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1N	103009408	YIGZJIFLHVGTLS-LOMYJAPHSA-N	403.402	0.946	50	1	HCGF	
CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1	299816352	WLLUQXGGNFUQGM-UHFFFAOYSA-N	411.426	0.995	50	1	HCGF	
Nc1nnc(CC(=O)N/N=C/[c-]2cc([N+](=O)[O-])cc(Br)c2=O)s1	169689109	JOGNNXYVYUFRSA-LNKIKWGQSA-N	400.194	0.563	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cnccn1)B(O)O	1857743657	JZTQMQRUMQSZRC-ROUUACIJSA-N	413.287	0.430	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](C=C[C@@]3(C)O)[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	13386678	IXLMITLRFJSJRS-FSSPUKOTSA-N	412.866	0.861	50	1	HCGF	biogenic,in-vitro
CCCCCCC1=Cc2c/c(=C(/N)NNC(=O)c3ccncc3)c(=O)oc2=CC1=O	15884986	BTMCUDGMVFHNLI-LVZFUZTISA-N	408.458	0.711	50	3	HCGF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/CO)C[C@](O)(CCl)[C@H]1[C@H](O)C=C(C)[C@H]21	238756875	CAFZWQATQRNADA-FZUCOLGISA-N	412.866	0.861	50	1	HCGF	
O=C(CCSCCC(=O)NN/C=C1\C=CC=CC1=O)NN/C=C1\C=CC=CC1=O	103916762	WGXJLPUVWUOSKR-WXUKJITCSA-N	414.487	0.899	50	3	HCGF	
Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)NCCCCl)n(C)c1=O	73333304	FAGATXXWBYXIBN-UHFFFAOYSA-N	405.286	0.220	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1	26292069	PBNTZYCTNYCRCI-DLKOFCQYSA-N	410.964	0.047	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H]3C[C@@H](CI)OC[C@]3(CO)O2)c(O)nc1=O	253634746	VMXAGSNIORZGTL-RMIALFOJSA-N	422.219	0.747	50	1	HCGF	
CC(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)=C1C=CC(=O)C=C1	5163426	BAEVQQZZRIPMTM-UHFFFAOYSA-N	403.460	0.911	50	3	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)NC1	26293193	PBNTZYCTNYCRCI-LFNSDFOFSA-N	410.964	0.047	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CCC(=O)CI)O2)c(=O)[nH]c1=O	27737719	FOSBITWDJIERJS-MXWKQRLJSA-N	408.192	0.278	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1	299810114	HZOSHLFQZJIYFX-BQDOHGGYSA-N	424.991	0.437	50	1	HCGF	
CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]2CCC2CC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O	29048414	XDLPJKNAUSHXKC-WJQWLDNSSA-N	422.975	0.047	50	1	HCGF	
CCNC(=S)NNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	95597466	FNCMIDMMMCMCTJ-UHFFFAOYSA-N	411.487	0.997	50	1	HCGF	
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COS(N)(=O)=O	170069617	CTVYQQGPTAJPJX-WZRBSPASSA-N	421.548	0.435	50	1	HCGF	
O=C(O)[C@H]1CN(C(=S)SSC(=S)N2CCO[C@@H](C(=O)O)C2)CCO1	1772584409	LAATYSNUDSYNEL-HTQZYQBOSA-N	412.536	0.508	50	1	HCGF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN	587857879	BRAATIVNBJAXOT-CHWSQXEVSA-N	403.222	0.608	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	95911430	CAFZWQATQRNADA-NPUYJLKLSA-N	412.866	0.861	50	1	HCGF	biogenic,in-vitro
CN(CCBr)[P@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O	299847170	UKCYVJPTSGXRES-LXGOIASLSA-N	411.211	0.935	50	1	HCGF	
C=C1C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl	2356571300	NTJXRKLCTXJGGS-NHAGCDNQSA-N	412.866	0.861	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H]1[C@H](OC(=O)C(C)(C)O)[C@H](C(=C)C=O)[C@@]2(C)[C@@H]1CO1	40395020	UUASDOALLGVGAV-UQGZKMHZSA-N	422.430	0.489	50	1	HCGF	
O=C(O)[C@@H]1CN(C(=S)SSC(=S)N2CCO[C@@H](C(=O)O)C2)CCO1	1772584410	LAATYSNUDSYNEL-OCAPTIKFSA-N	412.536	0.508	50	1	HCGF	
Cc1ccc(NC(=S)NNC(=O)Cn2nc(Cc3cccs3)n(N)c2=O)cc1	299830735	PKGOJZJQRWPXJH-UHFFFAOYSA-N	417.520	0.737	50	1	HCGF	
CC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)[C@@H]1Sc1nnnn1C	13601890	OWUKSKCWBWHCJW-BPTDKIDVSA-N	419.916	0.722	50	1	HCGF	
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COS(N)(=O)=O	170069623	CTVYQQGPTAJPJX-NQBHXWOUSA-N	421.548	0.435	50	1	HCGF	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3cccnc3)CC2)cc1	36384507	GVJSZUFBVDOPNX-KGENOOAVSA-N	401.492	0.847	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)N1	254058118	ZVNFZNNECIXYJZ-ZMKHROOASA-N	410.964	0.190	50	1	HCGF	
COc1nc(NNC(=O)c2ccncc2)nc(OC(=O)[C@H](N)Cc2ccccc2)n1	1857648443	UORUNZNELKFFPB-CQSZACIVSA-N	409.406	0.508	50	1	HCGF	
CC1=NC=C(CO)/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O	38186734	RLLSINYQEXXBFK-BOPFTXTBSA-N	418.475	0.509	50	3	HCGF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2N)C1	586956064	ZOVXFMBVKCWWOQ-UHFFFAOYSA-N	400.464	0.733	50	1	HCGF	
Cc1ccc(S(=O)(=O)N2CCC([C@](N)(CCCCB(O)O)C(=O)O)CC2)cc1	170188929	CSADLHWLKFKYNY-GOSISDBHSA-N	412.317	0.821	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)NC1	26292082	PBNTZYCTNYCRCI-HEPTYLOYSA-N	410.964	0.047	50	1	HCGF	
C=C1C[C@H](OC(=O)[C@@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl	13386696	MOTAMYXIGSFMPD-CNWHWYIZSA-N	400.855	0.551	50	1	HCGF	
CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O	299810326	SCJPIULIASRFNK-PPXIZLKKSA-N	423.806	0.458	50	1	HCGF	
[N-]=[N+]=N[C@H](c1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O)[C@@H](Cl)Br	195515169	OICPZMOAZDBOLS-OAHBRNHXSA-N	410.612	0.489	50	1	HCGF	
CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12	137295644	GPBQGDFLPPHWKS-BRWZHAGFSA-N	423.466	0.020	50	1	HCGF	
CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CO[C@]2(COC(C)(C)O2)[C@@]1(OC)[C@@]1(C)CO1	26832952	YLHQPTLNXFJWQI-JSPNIXQWSA-N	423.846	0.545	50	1	HCGF	
CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCCCl)=C(C)C1=O)[C@@H]2COC(N)=O	169369443	ZCNBUMKGRPKSRE-CHUQCCFNSA-N	411.842	0.036	50	1	HCGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5C[C@@H]4[C@H]4S[C@@H]54)ncnc32)[C@@H]1O	101142218	WXZHKNSVIRRPQH-YKZZLWDBSA-N	409.899	0.989	50	1	HCGF	
CCCCOc1c(NNC(=O)[C@H](CC(C)C)NC(=O)N2CCOCC2)c(=O)c1=O	169326150	XOPRNGLPIIOMJI-ZDUSSCGKSA-N	410.471	0.361	50	1	HCGF	
CCc1ccnc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1	26285893	JWSWLDIIEXOQIH-UPGKCDBUSA-N	404.916	0.540	50	1	HCGF	
CC(=O)O[C@]12C[C@H](C)[C@]3(O)[C@H]([C@H](OO)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@H]1C2(C)C	2356447091	LMGQTTQPXZITLA-GSGDAOKXSA-N	422.474	0.998	50	1	HCGF	
CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	254042458	GPBQGDFLPPHWKS-SGVLDJBVSA-N	423.466	0.020	50	1	HCGF	
CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	169366882	SCJPIULIASRFNK-ZMIHGDGJSA-N	423.806	0.458	50	1	HCGF	
CCCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](S)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1	208950290	JLFHTAZKZUEWIQ-QKPVFSBNSA-N	424.991	0.346	50	1	HCGF	
COc1ccc(S(=O)(=O)N(CCCl)N(S(C)(=O)=O)S(C)(=O)=O)cc1	26378139	OXCYYWFGMRAVLJ-UHFFFAOYSA-N	420.918	0.061	50	1	HCGF	
Nc1nnc(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C=C(Br)C2=O)s1	103807246	CBAJGCRDWQYGMW-SNAWJCMRSA-N	401.202	0.190	50	3	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26290628	HZOSHLFQZJIYFX-LSPDIVKYSA-N	424.991	0.437	50	1	HCGF	
C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(C=O)=CCC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12	253674314	HNYQTNZEHNKADL-AWKGPRFZSA-N	420.414	0.553	50	1	HCGF	
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccncc1)C(=S)c1ccncc1	96929525	MHWSMORSHKWFES-UHFFFAOYSA-N	402.505	0.844	50	1	HCGF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@@H]1N[C@H]12	253712173	ZCNBUMKGRPKSRE-PIHOGDGFSA-N	411.842	0.036	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)N1	26296094	ZVNFZNNECIXYJZ-SYLSQCHPSA-N	410.964	0.190	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)/C(C=O)=C\CC[C@]1(CO1)[C@@H]2O	28468374	GWFFTSIOEFGXBV-RJOHRZOSSA-N	422.430	0.633	50	1	HCGF	
COCCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1B(O)O	962920974	NNEGRGZGSXJKEV-LPHOPBHVSA-N	403.215	0.609	50	1	HCGF	
CC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	38192475	HBJOXQRURQPDEX-BPXNWZQGSA-N	410.964	0.047	50	1	HCGF	
CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12	8035875	GPBQGDFLPPHWKS-FPPMKMBSSA-N	423.466	0.020	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)NC1	253704472	PBNTZYCTNYCRCI-CVEPJAGNSA-N	410.964	0.047	50	1	HCGF	
Cc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)O[C@@H]3O)CCCCC2)c1	36092957	DHFMYIAYFNTKBH-YOEHRIQHSA-N	403.435	0.457	50	1	HCGF	
CC(=O)OC[C@H]1O[C@@H](n2nc(C(N)=O)cc2CCl)[C@H](OC(C)=O)[C@@H]1OC(C)=O	169321122	APRINJKRLFWWTB-IXYNUQLISA-N	417.802	0.045	50	1	HCGF	
CS(=O)(=O)OCCN(CCCl)c1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	5741470	MHOHFBMVOJCKIE-UHFFFAOYSA-N	410.792	0.623	50	1	HCGF	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NNCCCCN	3870519	AEHSFPPTWRQOFS-MSOLQXFVSA-N	419.526	0.695	50	1	HCGF	in-vivo
CN1C(CCl)=N[C@H]2C(=O)C(C3=CC(=O)c4c(nc(CCl)n4C)C3=O)=CC(=O)[C@@H]21	101577427	NAMJPUYXAMNHRT-HIFRSBDPSA-N	421.240	0.862	50	1	HCGF	
CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)nc1	26292869	SULFTSQLZCQTMK-BBHHQEQQSA-N	404.916	0.540	50	1	HCGF	
CC(=O)OC[C@@H]1OC[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	40465156	QPSRXUNUCSVLGQ-XJFOESAGSA-N	423.806	0.112	50	1	HCGF	
CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)n1	253654218	ZQAGMAHLJWGQHW-HKHPFONRSA-N	404.916	0.540	50	1	HCGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O	17127441	DPXKPKOKTUWXPA-QEJZJMRPSA-N	407.810	0.554	50	1	HCGF	
CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)n1	26376374	ZQAGMAHLJWGQHW-BBHHQEQQSA-N	404.916	0.540	50	1	HCGF	
[N-]=[N+]=N[C@H](CI)c1cn(CCC(CO)CO)c(=O)[nH]c1=O	27418726	WSRAALHLSBBWFK-SECBINFHSA-N	409.184	0.314	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)C(C)=CCO)[C@H]12	2356563422	CAFZWQATQRNADA-SGPSVCNZSA-N	412.866	0.861	50	1	HCGF	
CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3CC[C@@H]12	36387014	GPBQGDFLPPHWKS-RZSDIIJCSA-N	423.466	0.020	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N1	253809469	ZVNFZNNECIXYJZ-DORDXSMJSA-N	410.964	0.190	50	1	HCGF	
CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	299804730	VUXIUSIBIPDYSR-OSPAFXLASA-N	424.991	0.390	50	1	HCGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)CNC(=O)c1ccccc1O	618007744	HDHLVWQBNLBUOL-ZDUSSCGKSA-N	415.537	0.723	50	1	HCGF	
CC(C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@H](NC(=O)/C=C/C=C/C=O)C(=O)N1C	49808073	KPPYRCDQUDIYQD-CAYKZORVSA-N	420.510	0.022	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1C=C[C@](C)(O)[C@H]21	2356534281	IXLMITLRFJSJRS-YIDJCFEKSA-N	412.866	0.861	50	1	HCGF	
[N-]=[N+]=N[C@H](c1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)[C@H](Cl)Br	105506948	OICPZMOAZDBOLS-ULHDWMFZSA-N	410.612	0.489	50	1	HCGF	
N#CCC(=O)N/N=C(/C(=O)Nc1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1N	18252160	YIGZJIFLHVGTLS-GUTJXLKISA-N	403.402	0.946	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1	253699290	HZOSHLFQZJIYFX-QMZGUIQGSA-N	424.991	0.437	50	1	HCGF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCCl)C3=O)N1C[C@H]1N[C@H]12	253712179	ZCNBUMKGRPKSRE-WJQNRWOOSA-N	411.842	0.036	50	1	HCGF	
Cc1cn([C@@H]2C[C@H]3C[C@@H](CI)OC[C@@]3(CO)O2)c(=O)[nH]c1=O	29480996	VMXAGSNIORZGTL-YAMSLAJTSA-N	422.219	0.335	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H]3C[C@H](CI)OC[C@@]3(CO)O2)c(O)nc1=O	253634745	VMXAGSNIORZGTL-BBGACYKPSA-N	422.219	0.747	50	1	HCGF	
CC(=O)O[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	17062085	SCJPIULIASRFNK-DRIGJWAJSA-N	423.806	0.458	50	1	HCGF	
O=C(CCC(=O)N/N=C/c1cc(O)c(O)c(O)c1)N/N=C/c1cc(O)c(O)c(O)c1	299824158	BDCKWZJKGGLTDO-OKXCLTPOSA-N	418.362	0.301	50	1	HCGF	
O=C1c2[nH]cc3c2C2=C4[C@@H]1NCC[C@]41C=C[C@H](O)[C@@](O)([C@H]1Br)N2CC3	2356307110	XKNSBLYUMSEHSJ-OACJVADYSA-N	404.264	0.525	50	1	HCGF	
O=C(NP(=O)(NN1CCOCC1)NN1CCOCC1)c1ccc(Cl)cc1	64453987	UOGADFBWRYIAAD-UHFFFAOYSA-N	403.807	0.852	50	1	HCGF	
NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1	103248243	MGLPPIXXHJPCHI-UHFFFAOYSA-N	402.392	0.698	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N1	26375567	ZVNFZNNECIXYJZ-DLIAFKJFSA-N	410.964	0.190	50	1	HCGF	
N#C[C@H](/C(=N/NC(=O)C(=O)NN)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1	5891379	UQHSDYKSAAWQDB-MYGFDNRISA-N	422.489	0.841	50	1	HCGF	
O=C1N[C@H](c2ccccc2)CC(=O)N2C[C@H](Cl)[C@H](Cl)[C@H]2C(=O)N[C@@H]1CO	2356549014	OCYVXRLSHHMJIN-QIRZIZBZSA-N	400.262	0.150	50	1	HCGF	
CO[C@H]1O[C@H]2COC(C)(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	17212067	IIZWKYHLPGMHCV-VLJOUNFMSA-N	409.823	0.741	50	1	HCGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587705317	MSAIMGPHBXXYMH-KHYOERLWSA-N	412.683	0.846	50	1	HCGF	
CC(C)[C@@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@H](NC(=O)C=CC=CC=O)C(=O)N1C	2356450189	KPPYRCDQUDIYQD-XYJFISCASA-N	420.510	0.022	50	1	HCGF	
CCc1cccc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)n1	26376372	ZQAGMAHLJWGQHW-UPGKCDBUSA-N	404.916	0.540	50	1	HCGF	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NNC(C#N)=C1N=c2ccccc2=N1	13122037	QDYRLOFDVCXJDR-UHFFFAOYSA-N	424.486	0.578	50	3	HCGF	
CC(=O)O[C@H]1[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)O[C@@H](C)[C@H]1OC(C)=O	169366881	SCJPIULIASRFNK-WWOGORAVSA-N	423.806	0.458	50	1	HCGF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@@H](C(=O)NN)N1CCOCC1	587872447	NGGHDJOUNBLDLT-INIZCTEOSA-N	405.430	0.809	50	1	HCGF	
CC(=O)OC[C@H]1OC[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	40465155	QPSRXUNUCSVLGQ-AAVRWANBSA-N	423.806	0.112	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)B(O)O	195097227	GAOKRQSTMUSIMC-IRXDYDNUSA-N	402.260	0.790	50	1	HCGF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN	587857881	BRAATIVNBJAXOT-QWHCGFSZSA-N	403.222	0.608	50	1	HCGF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1)C(C)C	64691677	KGALEDDRBNKPDD-XIRDDKMYSA-N	406.531	0.102	50	1	HCGF	
CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12	254042444	GPBQGDFLPPHWKS-HYIYRXJKSA-N	423.466	0.020	50	1	HCGF	
N#Cc1ccc(NC(=O)NNC(=O)[C@@H]2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	1772649061	OUHNQKPAGBSEAR-AWEZNQCLSA-N	406.358	0.610	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cncc(-c2ccccc2)n1)[C@@H](C)O)B(O)O	195099164	ZTUUBHDWXUYLIL-BVGQSLNGSA-N	414.271	0.166	50	1	HCGF	
COC(=O)c1ccc(O[C@@H]2O[C@H](CI)[C@H](O)[C@H](O)[C@H]2O)cc1	2178319827	BKPUWIIYYINMCB-OIRVYTLQSA-N	424.187	0.095	50	1	HCGF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN	587864169	GBMMDLAWRSONEV-QWHCGFSZSA-N	402.329	0.320	50	1	HCGF	
CN1C(=O)C(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O	1772627642	ZEXJGDOJVLIICG-UHFFFAOYSA-N	402.194	0.813	50	1	HCGF	
CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1	299804731	VUXIUSIBIPDYSR-QHBHCNNCSA-N	424.991	0.390	50	1	HCGF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](C(=O)Nc3ccc(C(=O)CCl)cc3)O2)c(=O)[nH]c1=O	5706490	DPXKPKOKTUWXPA-VHDGCEQUSA-N	407.810	0.554	50	1	HCGF	
CC(=O)O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	299810327	SCJPIULIASRFNK-YKVYIDJSSA-N	423.806	0.458	50	1	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)NC1	253665554	PBNTZYCTNYCRCI-WDOALSMWSA-N	410.964	0.047	50	1	HCGF	
CC[C@@H]1CC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)NC1	253665559	PBNTZYCTNYCRCI-ZMKHROOASA-N	410.964	0.047	50	1	HCGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO	587546486	KALKDVQUYQZYHY-NLHCRIGLSA-N	410.806	0.405	50	1	HCGF	
C[C@@H]1C[C@H](OC(=O)[C@@](C)(O)CCl)C2=C(CO)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2	238743377	DTIJDDLXFGMDID-OHEHSAFSSA-N	416.854	0.915	50	1	HCGF	
CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)N(C)C1	8551995	KDLRVYVGXIQJDK-REXYUVELSA-N	424.991	0.390	50	1	HCGF	
CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12	66147868	GPBQGDFLPPHWKS-UBVLVLIJSA-N	423.466	0.020	50	1	HCGF	
CC(C)[C@@H]1C(=O)N(C)[C@@H](C)C(=O)NCCC[C@@H](NC(=O)C=CC=CC=O)C(=O)N1C	2356450187	KPPYRCDQUDIYQD-LZLYRXPVSA-N	420.510	0.022	50	1	HCGF	
Cc1cccc(C)c1C(=O)NNC(=O)C1(C(=O)N[C@H]2CC(=O)O[C@@H]2O)CCCCC1	37865592	MXZKDHBBWMNOME-KSSFIOAISA-N	417.462	0.765	50	1	HCGF	
CN(CC(=O)O)NC(=O)C[C@H](N)Cc1csc(CNC(=O)OC(C)(C)C)n1	26837444	PDPFHRLDPIYACL-SNVBAGLBSA-N	401.489	0.475	50	1	HCGF	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)[C@@H](C)O)B(O)O	195138181	MPCHXQPSGOAPFX-KCXAZCMYSA-N	419.312	0.832	50	1	HCGF	
OC[C@H]1O[C@H](OO[C@H]2C=C(c3ccccc3)Oc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O	2356331183	YDVUPJQQUBNDSO-AUYGFBLUSA-N	402.399	0.909	50	1	HCGF	
NC(=S)NNC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1	1857600706	IJNYRONYFPZPKF-UHFFFAOYSA-N	417.476	0.060	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1	26375761	CAHMTVMUKPEODP-PJBJKJCASA-N	418.943	0.930	50	1	HCGF	
CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	254131919	IIZWKYHLPGMHCV-KSSYENDESA-N	409.823	0.741	50	1	HCGF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl	2356579128	QYDZDLCERJLVOK-NHAGCDNQSA-N	412.866	0.861	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)C(C)=CCO)[C@H]12	2356563423	CAFZWQATQRNADA-SVELIZGLSA-N	412.866	0.861	50	1	HCGF	
NNC(=O)C(=O)N/N=C1\CCC(=O)C[C@@H]1C(=O)CCC(=O)Nc1ccc(Cl)cc1	18067175	NHMINUOBIIJFLW-ODSPIHKRSA-N	421.841	0.459	50	1	HCGF	
COc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cnccn2)cc1	195279823	GWXQPHHVNWARCP-WMZOPIPTSA-N	414.271	0.889	50	1	HCGF	
CCCC[C@H]1CN(C)[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O	29050601	FSNHRYGTEANCBQ-BJRPGJRBSA-N	424.991	0.390	50	1	HCGF	
N=c1[nH]c(C(=O)N/N=C/c2ccc(F)cc2)nn1-c1ccc(S(N)(=O)=O)cc1	1857591380	BYMPLOLXBMGRPW-AWQFTUOYSA-N	403.399	0.230	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)C1	26290647	HZOSHLFQZJIYFX-CPDBLDPBSA-N	424.991	0.437	50	1	HCGF	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COS(N)(=O)=O	170069620	CTVYQQGPTAJPJX-LOWVWBTDSA-N	421.548	0.435	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)c1	253632788	CAHMTVMUKPEODP-ZTOUTFJISA-N	418.943	0.930	50	1	HCGF	
CC(=O)OC[C@H]1OC[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	169290133	QPSRXUNUCSVLGQ-REWJHTLYSA-N	423.806	0.112	50	1	HCGF	
CC(=O)O[C@]12C[C@H](C)[C@]3(O)[C@H]([C@H](OO)C(CO)=C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C	2356447093	LMGQTTQPXZITLA-JALDAVHMSA-N	422.474	0.998	50	1	HCGF	
COc1ccc(C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)B(O)O)C(C)C)cc1	195111351	LQZXXCNGLKKMFQ-BZSNNMDCSA-N	407.320	0.249	50	1	HCGF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl	963234270	UNGQHPUNUQZSSR-NZRMSGFPSA-N	407.209	0.965	50	1	HCGF	
CC[C@H]1CCC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N1	253809470	ZVNFZNNECIXYJZ-YVUJFGATSA-N	410.964	0.190	50	1	HCGF	
CC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)Cl)C1	44964073	HBJOXQRURQPDEX-RRQODYBBSA-N	410.964	0.047	50	1	HCGF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H](C)O)cc1	586939804	XDGOPRIAHQLSJH-MGPLVRAMSA-N	419.463	0.575	50	1	HCGF	
CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1	299804728	VUXIUSIBIPDYSR-KVBOSYRSSA-N	424.991	0.390	50	1	HCGF	
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OO2	169640192	ANEUKYPPHAYUKL-VDFANVJKSA-N	408.447	0.632	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)c1	253632783	CAHMTVMUKPEODP-ITYGCTBTSA-N	418.943	0.930	50	1	HCGF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO	587546484	KALKDVQUYQZYHY-KIGWWHKDSA-N	410.806	0.405	50	1	HCGF	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)N/N=C/c2ccccc2)cc1	40893205	CDTUDRABGDRARM-WAKXPGHKSA-N	404.448	0.435	50	1	HCGF	
CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC(=O)N/N=C/c1ccccc1	1857754538	RBIPDGXUUCCTDE-FYJGNVAPSA-N	412.450	0.763	50	1	HCGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)[C@H]1OC[C@H](OC(C)=O)S1	618007629	CNGHWHNERPQBQH-WDMOLILDSA-N	412.555	0.566	50	1	HCGF	
COc1ccc(/C=N/NC(=O)Cn2nc(C)n(/N=C/c3ccncc3)c2=O)cc1O	103193685	CBBYEIMMHUCRFH-OIEABDAFSA-N	409.406	0.495	50	1	HCGF	
CC[C@H]1CCN(C)[C@@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26375821	VUXIUSIBIPDYSR-XQNQEUKXSA-N	424.991	0.390	50	1	HCGF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	27656066	GOYWFONAFPWGMK-VPSRLDDWSA-N	416.854	0.315	50	1	HCGF	
O=C(NN[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1	150058104	RVKKCBQGKSPZQN-GFCCVEGCSA-N	416.450	0.747	50	1	HCGF	
CCc1cccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)n1	253654220	ZQAGMAHLJWGQHW-LKAIBLKYSA-N	404.916	0.540	50	1	HCGF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1C=C[C@@](C)(O)[C@H]21	2356534278	IXLMITLRFJSJRS-FFKFMXCISA-N	412.866	0.861	50	1	HCGF	
CCc1c2c(nc3ccc(B(O)O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	217115229	HYJCSFCPRVFVTP-QFIPXVFZSA-N	420.230	0.322	50	1	HCGF	
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NN)cc3)nc2n(CCC)c1=O	28763678	IBDKKSRMRJMAGL-UHFFFAOYSA-N	400.439	0.742	50	1	HCGF	
CCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	299810115	HZOSHLFQZJIYFX-GBBFUAINSA-N	424.991	0.437	50	1	HCGF	
O=C1N[C@H](CO)C(=O)N[C@H](c2ccccc2)CC(=O)N2C[C@H](Cl)[C@H](Cl)[C@H]12	2356549017	OCYVXRLSHHMJIN-ZZVJUGKHSA-N	400.262	0.150	50	1	HCGF	
CCOc1ccccc1/C=N\NC(=O)c1nnn(-c2nonc2N)c1N1CCCC1	33854315	WLLUQXGGNFUQGM-JAIQZWGSSA-N	411.426	0.995	50	1	HCGF	
CC[C@H]1CCN(C)[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1	299804732	VUXIUSIBIPDYSR-QMZGUIQGSA-N	424.991	0.390	50	1	HCGF	
CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1	26376429	VUXIUSIBIPDYSR-LSPDIVKYSA-N	424.991	0.390	50	1	HCGF	
CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@@]3(NC(=O)CBr)[C@H]1C5	253636238	WPEIOODEGJJMDJ-XOBZYRBZSA-N	421.291	0.832	50	1	HCGF	
[N-]=[N+]=N[C@@H](CI)c1cn(CCC(CO)CO)c(=O)[nH]c1=O	27418731	WSRAALHLSBBWFK-VIFPVBQESA-N	409.184	0.314	50	1	HCGF	
NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	299834568	ZCAQMQIJBXYWCF-UHFFFAOYSA-N	415.409	0.257	50	1	HCGF	
Cc1nn(CC(=O)NNC(=S)Nc2ccccc2)c(=O)n1CCCn1ccnc1	103189674	GFVDBMJNBJHXDH-UHFFFAOYSA-N	414.495	0.658	50	1	HCGF	
CC(C)(NC(=O)CCl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587009822	UZCZMCVMAROGFS-UHFFFAOYSA-N	407.902	0.903	50	1	HCGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587704261	IYIWENOCTSTVFG-HBFFZPMMSA-N	412.683	0.846	50	1	HCGF	
Cn1nnnc1SCC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1	13601843	FLSUREAAJXIEPT-QPUJVOFHSA-N	419.916	0.376	50	1	HCGF	
Cn1nnnc1SCC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)[C@@H]2S(=O)(=O)C1	27320387	FLSUREAAJXIEPT-UFBFGSQYSA-N	419.916	0.376	50	1	HCGF	
CN(NC(=O)CC(=O)NN(C)C(=S)c1cncs1)C(=S)c1cncs1	103147586	LALRCKIWUWUDNE-UHFFFAOYSA-N	414.563	0.967	50	1	HCGF	
C[C@@H]1C[C@H](OC(=O)[C@@](C)(O)CCl)C2=C(CO)C(=O)OC2=C[C@@]2(C)CC[C@@]1(O)O2	2356630798	DTIJDDLXFGMDID-KZVHPMBESA-N	416.854	0.915	50	1	HCGF	
CC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	299804727	VUXIUSIBIPDYSR-GBBFUAINSA-N	424.991	0.390	50	1	HCGF	
CCCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H](S)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1	208950323	JLFHTAZKZUEWIQ-HJNPTMCVSA-N	424.991	0.346	50	1	HCGF	
CC(=O)O[C@@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)N(CCCl)N=O	169366880	SCJPIULIASRFNK-MSIYKJJWSA-N	423.806	0.458	50	1	HCGF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)/C(C=O)=C/CC[C@@]1(CO1)[C@@H]2O	169360165	GWFFTSIOEFGXBV-KYHPCNMKSA-N	422.430	0.633	50	1	HCGF	
CC1(C)CN1P(=O)(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)N1CC1(C)C	169324991	VICBCLZTPWIZBW-ZGXBXBPPSA-N	413.415	0.592	50	1	HCGF	
CN(CCBr)[P@@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O	169319573	UKCYVJPTSGXRES-GSDQLPOLSA-N	411.211	0.935	50	1	HCGF	
NNC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1	587182279	NVDQQVTWHABRMH-UHFFFAOYSA-N	412.147	0.639	50	1	HCGF	
Nc1c(C(=O)NNC(=S)NC[C@@H]2CCCO2)nnn1Cc1ccc(Cl)cc1	957880323	CYHYIGGMNAXSHW-LBPRGKRZSA-N	409.903	0.850	50	1	HCGF	
CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34C[C@@H](Br)[C@H](O)[C@@]23[C@@]12[C@H](O)C(=O)O[C@H]2O4	100773316	ATLYCLODPLWYQA-LHTMHNKLSA-N	417.252	0.492	50	1	HCGF	
O=NN(CCCl)C(=O)NCC[C@@H](SCC(=O)O)n1cc(F)c(=O)[nH]c1=O	29207993	DNAHPDZHSFNNRU-MRVPVSSYSA-N	411.799	0.314	50	1	HCGF	
CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)nc1	253707062	SULFTSQLZCQTMK-HKHPFONRSA-N	404.916	0.540	50	1	HCGF	
CCc1ccc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)nc1	253707071	SULFTSQLZCQTMK-QZYBLNJHSA-N	404.916	0.540	50	1	HCGF	
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1I	27326098	SREVKAVMOMBISO-AOTGGKNNSA-N	411.587	0.116	50	1	HCGF	
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](NC(=O)N(CCCl)N=O)[C@@H]1OC(C)=O	31349924	QMJJEUBKQJZIGH-YVECIDJPSA-N	409.779	0.070	50	1	HCGF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CCl	2356579131	QYDZDLCERJLVOK-YLRNSDIYSA-N	412.866	0.861	50	1	HCGF	
CCOC(=O)[C@H]1CC(=NNC(=O)CCn2cc(C)c(O)nc2=O)C[C@H]1C(=O)OCC	653791980	VEMPCIMWKWWOQT-OKILXGFUSA-N	422.438	0.272	50	1	HCGF	
COC1=CC(=CNNC(=O)Cc2csc(N3CCOCC3)n2)C=C(OC)C1=O	13123110	PEMXILNFVDYGDC-UHFFFAOYSA-N	406.464	0.670	50	3	HCGF	
CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2[C@H](OC(C)=O)[C@H]1NC(=O)N(CCCl)N=O	254131929	IIZWKYHLPGMHCV-UJPOAAIJSA-N	409.823	0.741	50	1	HCGF	
NNC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587271797	HJPIIALEQXVSSK-KBPBESRZSA-N	400.351	0.108	50	1	HCGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587704263	IYIWENOCTSTVFG-ZNANMUOGSA-N	412.683	0.846	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)c1	26375763	CAHMTVMUKPEODP-OZHORYLQSA-N	418.943	0.930	50	1	HCGF	
CCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1	253699282	HZOSHLFQZJIYFX-OSPAFXLASA-N	424.991	0.437	50	1	HCGF	
CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NCB(O)O)c1csc(S)n1	169879832	RYMDIZHYVJLHBH-GIJQJNRQSA-N	403.291	0.401	50	1	HCGF	
CC[C@H]1CC[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)NC1	253704479	PBNTZYCTNYCRCI-DORDXSMJSA-N	410.964	0.047	50	1	HCGF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	17123291	YJWDODRMMPONGJ-YFRSTRBHSA-N	412.822	0.731	50	1	HCGF	
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NNCc1ccccc1)C(C)C	64596870	ORLOEAZICBFXTG-SZMVWBNQSA-N	403.527	0.547	50	1	HCGF	
CC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)C1	238743665	HBJOXQRURQPDEX-OXCUSINGSA-N	410.964	0.047	50	1	HCGF	
CCCc1ccnc(C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)c1	253632785	CAHMTVMUKPEODP-RLQLLLDESA-N	418.943	0.930	50	1	HCGF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN	587857882	BRAATIVNBJAXOT-STQMWFEESA-N	403.222	0.608	50	1	HCGF	
C[C@@H]1O[C@@H](O[C@@H]2C=C(C=O)[C@](O)(C=O)[C@@]3(C)CCCC(C)(C)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O	95913760	PQPWHYRSGSSKQJ-YSINZLLMSA-N	412.479	0.101	50	1	HCGF	biogenic,in-vitro
CCCc1ccnc(C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)c1	26375757	CAHMTVMUKPEODP-CSCAMCIQSA-N	418.943	0.930	50	1	HCGF	
CC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C1	44964071	HBJOXQRURQPDEX-DWVACRFYSA-N	410.964	0.047	50	1	HCGF	
COC(=O)/C=C1\[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](n2ccc(=O)[nH]c2=O)[C@H]1O	195480889	PTJIYYNOAIUMBK-WZDGXMRYSA-N	412.515	0.916	50	1	HCGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1	587705318	MSAIMGPHBXXYMH-UBHNZXJSSA-N	412.683	0.846	50	1	HCGF	
O=C(O)c1cccc2c1CCN[C@]2(CBr)c1ccc(B(O)O)cc1F	963126601	WDODHHYRQOIAMP-KRWDZBQOSA-N	408.032	0.988	50	1	HCGF	
CC[C@@H]1CCC[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N1	254058115	ZVNFZNNECIXYJZ-IPAVCLOWSA-N	410.964	0.190	50	1	HCGF	
N[C@@H](CC[P@@](=O)(Oc1ccccc1)O[C@@H](CCl)C(=O)NCC(=O)O)C(=O)O	103233366	KWGNTXXARLNGIH-RPTJNQDTSA-N	422.758	0.885	50	1	HCGF